*HEADER    NEUROPEPTIDE                            08-NOV-04   1WSO              
*TITLE     THE SOLUTION STRUCTURES OF HUMAN OREXIN-A                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OREXIN-A;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HYPOCRETIN-1;                                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.             
*KEYWDS    HYPOCRETIN, OREXIN, GPCR, ORPHAN G-PROTEIN COUPLED RECEPTOR,          
*KEYWDS   2 NARCOLEPSY, NEUROPEPTIDE                                             
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    T.IKEGAMI, T.TAKAI                                                    
*REVDAT   1   27-MAY-08 1WSO    0                                                


assign (resid 1 and name HA)  (resid 2 and name HD#) 3.0 1.2 0.0
assign (resid 2 and name HA)  (resid 2 and name HB#) 3.0 1.2 0.0
assign (resid 3 and name HA)  (resid 4 and name HD#) 3.0 1.2 0.0
assign (resid 4 and name HA)  (resid 4 and name HB#) 3.0 1.2 0.0
assign (resid 5 and name HA)  (resid 5 and name HB#) 3.0 1.2 0.0
assign (resid 6 and name HA)  (resid 6 and name HB#) 3.0 1.2 0.0
assign (resid 7 and name HB#)  (resid 7 and name HA) 3.0 1.2 0.0
assign (resid 11 and name HA)  (resid 11 and name HG2#) 3.0 1.2 0.0
assign (resid 12 and name HA)  (resid 12 and name HB#) 3.0 1.2 0.0
assign (resid 13 and name HA)  (resid 13 and name HB#) 3.0 1.2 0.0
assign (resid 15 and name HA)  (resid 15 and name HB#) 3.0 1.2 0.0
assign (resid 17 and name HB#)  (resid 17 and name HA) 3.0 1.2 0.0
assign (resid 17 and name HB#)  (resid 17 and name HD#) 3.0 1.2 0.0
assign (resid 17 and name HE#)  (resid 17 and name HD#) 3.0 1.2 0.0
assign (resid 19 and name HD##)  (resid 19 and name HA) 3.0 1.2 0.0
assign (resid 20 and name HA)  (resid 20 and name HB#) 3.0 1.2 0.0
assign (resid 20 and name HD##)  (resid 20 and name HA) 3.0 1.2 0.0
assign (resid 20 and name HD##)  (resid 20 and name HB#) 3.0 1.2 0.0
assign (resid 25 and name HA)  (resid 25 and name HB#) 3.0 1.2 0.0
assign (resid 26 and name HA)  (resid 26 and name HB#) 3.0 1.2 0.0
assign (resid 30 and name HD#)  (resid 30 and name HA) 3.0 1.2 0.0
assign (resid 30 and name HG2#)  (resid 30 and name HA) 3.0 1.2 0.0
assign (resid 1 and name HA)  (resid 1 and name HB#) 4.0 2.2 0.0
assign (resid 1 and name HA)  (resid 1 and name HG#) 4.0 2.2 0.0
assign (resid 1 and name HB#)  (resid 1 and name HG#) 4.0 2.2 0.0
assign (resid 2 and name HA)  (resid 2 and name HG#) 4.0 2.2 0.0
assign (resid 2 and name HD#)  (resid 1 and name HB#) 4.0 2.2 0.0
assign (resid 2 and name HD#)  (resid 2 and name HB#) 4.0 2.2 0.0
assign (resid 2 and name HD#)  (resid 2 and name HG#) 4.0 2.2 0.0
assign (resid 3 and name HA)  (resid 3 and name HB#) 4.0 2.2 0.0
assign (resid 3 and name HA)  (resid 3 and name HG) 4.0 2.2 0.0
assign (resid 3 and name HD##)  (resid 3 and name HA) 4.0 2.2 0.0
assign (resid 3 and name HD##)  (resid 4 and name HD#) 4.0 2.2 0.0
assign (resid 3 and name HD##)  (resid 7 and name HB#) 4.0 2.2 0.0
assign (resid 3 and name HD##)  (resid 8 and name HA) 4.0 2.2 0.0
assign (resid 4 and name HA)  (resid 4 and name HG#) 4.0 2.2 0.0
assign (resid 4 and name HA)  (resid 17 and name HE#) 4.0 2.2 0.0
assign (resid 4 and name HD#)  (resid 3 and name HB#) 4.0 2.2 0.0
assign (resid 4 and name HD#)  (resid 4 and name HB#) 4.0 2.2 0.0
assign (resid 4 and name HD#)  (resid 4 and name HG#) 4.0 2.2 0.0
assign (resid 5 and name HB#)  (resid 8 and name HB#) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 5 and name HB#) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 9 and name HB#) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 9 and name HG#) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 11 and name HG2#) 4.0 2.2 0.0
assign (resid 6 and name HB#)  (resid 12 and name HB#) 4.0 2.2 0.0
assign (resid 7 and name HA)  (resid 14 and name HB#) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 8 and name HB#) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 8 and name HD#) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 8 and name HG#) 4.0 2.2 0.0
assign (resid 8 and name HB#)  (resid 8 and name HG#) 4.0 2.2 0.0
assign (resid 8 and name HD#)  (resid 8 and name HB#) 4.0 2.2 0.0
assign (resid 8 and name HD#)  (resid 8 and name HG#) 4.0 2.2 0.0
assign (resid 9 and name HA)  (resid 9 and name HB#) 4.0 2.2 0.0
assign (resid 9 and name HA)  (resid 9 and name HG#) 4.0 2.2 0.0
assign (resid 9 and name HA)  (resid 11 and name HG2#) 4.0 2.2 0.0
assign (resid 9 and name HB#)  (resid 11 and name HG2#) 4.0 2.2 0.0
assign (resid 9 and name HG#)  (resid 9 and name HB#) 3.0 1.2 0.0
assign (resid 10 and name HA)  (resid 7 and name HA) 4.0 2.2 0.0
assign (resid 10 and name HA)  (resid 10 and name HB#) 4.0 2.2 0.0
assign (resid 10 and name HB#)  (resid 10 and name HD#) 4.0 2.2 0.0
assign (resid 10 and name HB#)  (resid 10 and name HG#) 4.0 2.2 0.0
assign (resid 10 and name HD#)  (resid 10 and name HG#) 4.0 2.2 0.0
assign (resid 10 and name HE#)  (resid 10 and name HD#) 4.0 2.2 0.0
assign (resid 10 and name HE#)  (resid 10 and name HG#) 4.0 2.2 0.0
assign (resid 11 and name HG2#)  (resid 10 and name HA) 4.0 2.2 0.0
assign (resid 13 and name HB#)  (resid 16 and name HB#) 4.0 2.2 0.0
assign (resid 14 and name HA)  (resid 7 and name HB#) 4.0 2.2 0.0
assign (resid 14 and name HA)  (resid 14 and name HB#) 4.0 2.2 0.0
assign (resid 14 and name HA)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 14 and name HB#)  (resid 7 and name HB#) 4.0 2.2 0.0
assign (resid 14 and name HB#)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 15 and name HA)  (resid 15 and name HD#) 4.0 2.2 0.0
assign (resid 15 and name HA)  (resid 15 and name HG#) 4.0 2.2 0.0
assign (resid 15 and name HA)  (resid 18 and name HB#) 4.0 2.2 0.0
assign (resid 15 and name HB#)  (resid 15 and name HG#) 4.0 2.2 0.0
assign (resid 15 and name HD#)  (resid 15 and name HB#) 4.0 2.2 0.0
assign (resid 15 and name HD#)  (resid 15 and name HG#) 4.0 2.2 0.0
assign (resid 16 and name HA)  (resid 16 and name HB#) 4.0 2.2 0.0
assign (resid 16 and name HA)  (resid 19 and name HB#) 4.0 2.2 0.0
assign (resid 16 and name HD##)  (resid 14 and name HB#) 4.0 2.2 0.0
assign (resid 16 and name HD##)  (resid 16 and name HA) 4.0 2.2 0.0
assign (resid 16 and name HD##)  (resid 17 and name HA) 4.0 2.2 0.0
assign (resid 16 and name HD##)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 20 and name HB#) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 21 and name HD2) 4.0 2.2 0.0
assign (resid 17 and name HB#)  (resid 17 and name HE#) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 18 and name HB#) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 18 and name HG#) 4.0 2.2 0.0
assign (resid 18 and name HG#)  (resid 17 and name HD#) 4.0 2.2 0.0
assign (resid 18 and name HG#)  (resid 18 and name HB#) 4.0 2.2 0.0
assign (resid 19 and name HA)  (resid 19 and name HB#) 4.0 2.2 0.0
assign (resid 19 and name HD##)  (resid 19 and name HB#) 4.0 2.2 0.0
assign (resid 20 and name HD##)  (resid 19 and name HB#) 4.0 2.2 0.0
assign (resid 20 and name HD##)  (resid 21 and name HD2) 4.0 2.2 0.0
assign (resid 21 and name HA)  (resid 21 and name HB#) 4.0 2.2 0.0
assign (resid 21 and name HA)  (resid 21 and name HD2) 4.0 2.2 0.0
assign (resid 21 and name HB#)  (resid 21 and name HD2) 4.0 2.2 0.0
assign (resid 21 and name HD2)  (resid 20 and name HB#) 4.0 2.2 0.0
assign (resid 23 and name HA)  (resid 22 and name HA#) 4.0 2.2 0.0
assign (resid 23 and name HB#)  (resid 19 and name HA) 4.0 2.2 0.0
assign (resid 23 and name HB#)  (resid 22 and name HA#) 4.0 2.2 0.0
assign (resid 25 and name HB#)  (resid 21 and name HB#) 4.0 2.2 0.0
assign (resid 26 and name HA)  (resid 26 and name HD2) 4.0 2.2 0.0
assign (resid 26 and name HB#)  (resid 26 and name HD2) 4.0 2.2 0.0
assign (resid 28 and name HB#)  (resid 25 and name HA) 4.0 2.2 0.0
assign (resid 28 and name HB#)  (resid 29 and name HA#) 4.0 2.2 0.0
assign (resid 30 and name HA)  (resid 30 and name HB) 4.0 2.2 0.0
assign (resid 30 and name HA)  (resid 30 and name HG1#) 4.0 2.2 0.0
assign (resid 31 and name HA)  (resid 31 and name HB#) 4.0 2.2 0.0
assign (resid 31 and name HD##)  (resid 31 and name HA) 4.0 2.2 0.0
assign (resid 32 and name HA)  (resid 32 and name HB) 4.0 2.2 0.0
assign (resid 32 and name HA)  (resid 32 and name HG2#) 4.0 2.2 0.0
assign (resid 33 and name HD##)  (resid 33 and name HA) 4.0 2.2 0.0
assign (resid 1 and name HA)  (resid 2 and name HB#) 5.0 3.2 0.0
assign (resid 1 and name HA)  (resid 2 and name HG#) 5.0 3.2 0.0
assign (resid 2 and name HA)  (resid 2 and name HD#) 5.0 3.2 0.0
assign (resid 2 and name HD#)  (resid 1 and name HG#) 5.0 3.2 0.0
assign (resid 3 and name HA)  (resid 4 and name HB#) 5.0 3.2 0.0
assign (resid 3 and name HA)  (resid 4 and name HG#) 5.0 3.2 0.0
assign (resid 3 and name HA)  (resid 17 and name HE#) 5.0 3.2 0.0
assign (resid 4 and name HA)  (resid 4 and name HD#) 4.0 2.2 0.0
assign (resid 4 and name HD#)  (resid 3 and name HG) 5.0 3.2 0.0
assign (resid 4 and name HD#)  (resid 7 and name HB#) 5.0 3.2 0.0
assign (resid 4 and name HD#)  (resid 17 and name HE#) 5.0 3.2 0.0
assign (resid 5 and name HA)  (resid 7 and name HB#) 5.0 3.2 0.0
assign (resid 5 and name HA)  (resid 8 and name HD#) 5.0 3.2 0.0
assign (resid 5 and name HA)  (resid 9 and name HG#) 5.0 3.2 0.0
assign (resid 5 and name HB#)  (resid 6 and name HB#) 5.0 3.2 0.0
assign (resid 5 and name HB#)  (resid 9 and name HB#) 5.0 3.2 0.0
assign (resid 5 and name HB#)  (resid 9 and name HG#) 5.0 3.2 0.0
assign (resid 6 and name HA)  (resid 12 and name HB#) 5.0 3.2 0.0
assign (resid 6 and name HB#)  (resid 9 and name HB#) 5.0 3.2 0.0
assign (resid 7 and name HB#)  (resid 3 and name HB#) 5.0 3.2 0.0
assign (resid 7 and name HB#)  (resid 4 and name HB#) 5.0 3.2 0.0
assign (resid 8 and name HA)  (resid 7 and name HA) 5.0 3.2 0.0
assign (resid 8 and name HA)  (resid 7 and name HB#) 5.0 3.2 0.0
assign (resid 9 and name HA)  (resid 10 and name HB#) 5.0 3.2 0.0
assign (resid 9 and name HB#)  (resid 11 and name HA) 5.0 3.2 0.0
assign (resid 10 and name HA)  (resid 9 and name HB#) 5.0 3.2 0.0
assign (resid 10 and name HA)  (resid 10 and name HD#) 5.0 3.2 0.0
assign (resid 10 and name HE#)  (resid 10 and name HB#) 5.0 3.2 0.0
assign (resid 10 and name HG#)  (resid 7 and name HA) 5.0 3.2 0.0
assign (resid 10 and name HG#)  (resid 8 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HA)  (resid 6 and name HB#) 5.0 3.2 0.0
assign (resid 11 and name HA)  (resid 10 and name HB#) 5.0 3.2 0.0
assign (resid 11 and name HA)  (resid 12 and name HA) 5.0 3.2 0.0
assign (resid 11 and name HA)  (resid 12 and name HB#) 5.0 3.2 0.0
assign (resid 11 and name HG2#)  (resid 6 and name HB#) 5.0 3.2 0.0
assign (resid 11 and name HG2#)  (resid 9 and name HG#) 5.0 3.2 0.0
assign (resid 11 and name HG2#)  (resid 10 and name HB#) 5.0 3.2 0.0
assign (resid 12 and name HA)  (resid 6 and name HB#) 5.0 3.2 0.0
assign (resid 13 and name HB#)  (resid 15 and name HB#) 5.0 3.2 0.0
assign (resid 15 and name HA)  (resid 14 and name HB#) 4.0 2.2 0.0
assign (resid 15 and name HA)  (resid 17 and name HD#) 5.0 3.2 0.0
assign (resid 15 and name HD#)  (resid 18 and name HB#) 5.0 3.2 0.0
assign (resid 17 and name HD#)  (resid 15 and name HG#) 5.0 3.2 0.0
assign (resid 17 and name HD#)  (resid 16 and name HB#) 5.0 3.2 0.0
assign (resid 17 and name HD#)  (resid 21 and name HE1) 5.0 3.2 0.0
assign (resid 17 and name HE#)  (resid 4 and name HB#) 5.0 3.2 0.0
assign (resid 17 and name HE#)  (resid 15 and name HB#) 5.0 3.2 0.0
assign (resid 18 and name HA)  (resid 17 and name HB#) 5.0 3.2 0.0
assign (resid 18 and name HA)  (resid 21 and name HB#) 5.0 3.2 0.0
assign (resid 18 and name HB#)  (resid 17 and name HD#) 5.0 3.2 0.0
assign (resid 18 and name HG#)  (resid 15 and name HB#) 5.0 3.2 0.0
assign (resid 19 and name HD##)  (resid 18 and name HB#) 5.0 3.2 0.0
assign (resid 19 and name HD##)  (resid 18 and name HG#) 5.0 3.2 0.0
assign (resid 20 and name HD##)  (resid 17 and name HD#) 5.0 3.2 0.0
assign (resid 21 and name HA)  (resid 20 and name HA) 5.0 3.2 0.0
assign (resid 21 and name HA)  (resid 20 and name HB#) 5.0 3.2 0.0
assign (resid 21 and name HB#)  (resid 17 and name HE#) 5.0 3.2 0.0
assign (resid 21 and name HD2)  (resid 21 and name HE1) 5.0 3.2 0.0
assign (resid 22 and name HA#)  (resid 18 and name HB#) 5.0 3.2 0.0
assign (resid 22 and name HA#)  (resid 21 and name HA) 5.0 3.2 0.0
assign (resid 22 and name HA#)  (resid 21 and name HB#) 5.0 3.2 0.0
assign (resid 23 and name HA)  (resid 23 and name HB#) 3.0 1.2 0.0
assign (resid 27 and name HA)  (resid 27 and name HB#) 3.0 1.2 0.0
assign (resid 27 and name HA)  (resid 30 and name HB) 5.0 3.2 0.0
assign (resid 27 and name HB#)  (resid 26 and name HA) 5.0 3.2 0.0
assign (resid 28 and name HA)  (resid 28 and name HB#) 3.0 1.2 0.0
assign (resid 31 and name HA)  (resid 30 and name HA) 5.0 3.2 0.0
assign (resid 32 and name HB)  (resid 32 and name HG2#) 5.0 3.2 0.0
assign (resid 32 and name HG2#)  (resid 31 and name HA) 5.0 3.2 0.0
assign (resid 1 and name HA)  (resid 1 and name H) 3.0 1.2 0.0
assign (resid 3 and name HA)  (resid 3 and name H) 3.0 1.2 0.0
assign (resid 5 and name HA)  (resid 5 and name H) 3.0 1.2 0.0
assign (resid 5 and name HB#)  (resid 5 and name H) 3.0 1.2 0.0
assign (resid 8 and name HB#)  (resid 8 and name H) 3.0 1.2 0.0
assign (resid 8 and name H)  (resid 9 and name H) 3.0 1.2 0.0
assign (resid 9 and name HB#)  (resid 9 and name H) 3.0 1.2 0.0
assign (resid 10 and name HA)  (resid 10 and name H) 3.0 1.2 0.0
assign (resid 13 and name HA)  (resid 14 and name H) 3.0 1.2 0.0
assign (resid 20 and name HA)  (resid 20 and name H) 3.0 1.2 0.0
assign (resid 20 and name HB#)  (resid 20 and name H) 3.0 1.2 0.0
assign (resid 22 and name HA#)  (resid 22 and name H) 3.0 1.2 0.0
assign (resid 22 and name HA#)  (resid 23 and name H) 3.0 1.2 0.0
assign (resid 23 and name HB#)  (resid 23 and name H) 3.0 1.2 0.0
assign (resid 24 and name HA#)  (resid 24 and name H) 3.0 1.2 0.0
assign (resid 26 and name HA)  (resid 29 and name H) 3.0 1.2 0.0
assign (resid 27 and name HA)  (resid 27 and name H) 3.0 1.2 0.0
assign (resid 27 and name HB#)  (resid 27 and name H) 3.0 1.2 0.0
assign (resid 28 and name HA)  (resid 28 and name H) 3.0 1.2 0.0
assign (resid 28 and name HB#)  (resid 28 and name H) 3.0 1.2 0.0
assign (resid 32 and name HB)  (resid 32 and name H) 3.0 1.2 0.0
assign (resid 33 and name HA)  (resid 33 and name H) 3.0 1.2 0.0
assign (resid 34 and name HN1)  (resid 34 and name HN2) 3.0 1.2 0.0
assign (resid 3 and name HB#)  (resid 3 and name H) 4.0 2.2 0.0
assign (resid 4 and name HB#)  (resid 5 and name H) 4.0 2.2 0.0
assign (resid 4 and name HB#)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 5 and name HA)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 5 and name HA)  (resid 7 and name H) 4.0 2.2 0.0
assign (resid 5 and name HA)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 5 and name HB#)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 5 and name H)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 7 and name H) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 9 and name H) 4.0 2.2 0.0
assign (resid 6 and name HA)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 6 and name HB#)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 6 and name HB#)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 7 and name HA)  (resid 7 and name H) 4.0 2.2 0.0
assign (resid 7 and name HA)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 7 and name HA)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 7 and name HB#)  (resid 7 and name H) 4.0 2.2 0.0
assign (resid 7 and name HB#)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 7 and name H)  (resid 6 and name H) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 9 and name H) 4.0 2.2 0.0
assign (resid 8 and name HA)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 8 and name HB#)  (resid 8 and name HE) 4.0 2.2 0.0
assign (resid 8 and name HD#)  (resid 8 and name HE) 4.0 2.2 0.0
assign (resid 8 and name HG#)  (resid 8 and name H) 4.0 2.2 0.0
assign (resid 9 and name HA)  (resid 9 and name H) 4.0 2.2 0.0
assign (resid 9 and name HA)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 9 and name HB#)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 9 and name HG#)  (resid 9 and name HE#) 4.0 2.2 0.0
assign (resid 9 and name HG#)  (resid 9 and name H) 4.0 2.2 0.0
assign (resid 10 and name HA)  (resid 11 and name H) 4.0 2.2 0.0
assign (resid 10 and name HA)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 10 and name HB#)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 10 and name HG#)  (resid 10 and name H) 4.0 2.2 0.0
assign (resid 10 and name H)  (resid 9 and name H) 4.0 2.2 0.0
assign (resid 10 and name H)  (resid 11 and name H) 4.0 2.2 0.0
assign (resid 11 and name HA)  (resid 11 and name H) 4.0 2.2 0.0
assign (resid 11 and name HA)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 11 and name HG2#)  (resid 11 and name H) 4.0 2.2 0.0
assign (resid 11 and name HG2#)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 12 and name HA)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 12 and name HA)  (resid 13 and name H) 4.0 2.2 0.0
assign (resid 12 and name HB#)  (resid 12 and name H) 4.0 2.2 0.0
assign (resid 12 and name HB#)  (resid 13 and name H) 4.0 2.2 0.0
assign (resid 12 and name H)  (resid 11 and name H) 4.0 2.2 0.0
assign (resid 13 and name HA)  (resid 13 and name H) 4.0 2.2 0.0
assign (resid 13 and name HB#)  (resid 13 and name H) 4.0 2.2 0.0
assign (resid 14 and name HA)  (resid 14 and name H) 4.0 2.2 0.0
assign (resid 14 and name HA)  (resid 15 and name H) 4.0 2.2 0.0
assign (resid 14 and name HB#)  (resid 14 and name H) 4.0 2.2 0.0
assign (resid 14 and name HB#)  (resid 15 and name H) 4.0 2.2 0.0
assign (resid 15 and name HA)  (resid 15 and name H) 4.0 2.2 0.0
assign (resid 15 and name HB#)  (resid 15 and name H) 4.0 2.2 0.0
assign (resid 15 and name HB#)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 15 and name HD#)  (resid 15 and name HE) 4.0 2.2 0.0
assign (resid 15 and name HG#)  (resid 15 and name H) 4.0 2.2 0.0
assign (resid 15 and name H)  (resid 14 and name H) 4.0 2.2 0.0
assign (resid 15 and name H)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 16 and name HA)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 16 and name HA)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 16 and name HB#)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 16 and name HB#)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 16 and name HD##)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 17 and name HA)  (resid 20 and name H) 4.0 2.2 0.0
assign (resid 17 and name HB#)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 17 and name HB#)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 17 and name HB#)  (resid 21 and name HB#) 4.0 2.2 0.0
assign (resid 17 and name HD#)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 17 and name HD#)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 17 and name H)  (resid 16 and name H) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 18 and name HA)  (resid 22 and name H) 4.0 2.2 0.0
assign (resid 18 and name HB#)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 18 and name HB#)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 18 and name HG#)  (resid 18 and name H) 4.0 2.2 0.0
assign (resid 18 and name H)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 18 and name H)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 19 and name HA)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 19 and name HA)  (resid 22 and name H) 4.0 2.2 0.0
assign (resid 19 and name HB#)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 19 and name HB#)  (resid 20 and name H) 4.0 2.2 0.0
assign (resid 19 and name HD##)  (resid 17 and name H) 4.0 2.2 0.0
assign (resid 19 and name HD##)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 19 and name HD##)  (resid 20 and name H) 4.0 2.2 0.0
assign (resid 19 and name HG)  (resid 19 and name H) 4.0 2.2 0.0
assign (resid 20 and name HA)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 20 and name HB#)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 20 and name HD##)  (resid 20 and name H) 4.0 2.2 0.0
assign (resid 20 and name H)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 21 and name HA)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 21 and name HA)  (resid 22 and name H) 4.0 2.2 0.0
assign (resid 21 and name HB#)  (resid 21 and name H) 4.0 2.2 0.0
assign (resid 21 and name H)  (resid 22 and name H) 4.0 2.2 0.0
assign (resid 23 and name HA)  (resid 23 and name H) 4.0 2.2 0.0
assign (resid 23 and name HA)  (resid 24 and name H) 4.0 2.2 0.0
assign (resid 23 and name HB#)  (resid 22 and name H) 4.0 2.2 0.0
assign (resid 23 and name HB#)  (resid 24 and name H) 4.0 2.2 0.0
assign (resid 23 and name H)  (resid 24 and name H) 4.0 2.2 0.0
assign (resid 24 and name HA#)  (resid 25 and name H) 4.0 2.2 0.0
assign (resid 25 and name HA)  (resid 25 and name H) 4.0 2.2 0.0
assign (resid 25 and name HB#)  (resid 25 and name HD#) 4.0 2.2 0.0
assign (resid 25 and name HB#)  (resid 25 and name H) 4.0 2.2 0.0
assign (resid 26 and name HA)  (resid 26 and name H) 4.0 2.2 0.0
assign (resid 26 and name HB#)  (resid 26 and name H) 4.0 2.2 0.0
assign (resid 26 and name HB#)  (resid 27 and name H) 4.0 2.2 0.0
assign (resid 26 and name H)  (resid 25 and name H) 4.0 2.2 0.0
assign (resid 27 and name HA)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 29 and name HA#)  (resid 29 and name H) 4.0 2.2 0.0
assign (resid 29 and name HA#)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 29 and name H)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 30 and name HA)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 30 and name HB)  (resid 30 and name HG1#) 4.0 2.2 0.0
assign (resid 30 and name HB)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 30 and name HB)  (resid 31 and name H) 4.0 2.2 0.0
assign (resid 30 and name HG1#)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 30 and name HG2#)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 31 and name HA)  (resid 31 and name H) 4.0 2.2 0.0
assign (resid 31 and name HA)  (resid 32 and name H) 4.0 2.2 0.0
assign (resid 31 and name HB#)  (resid 31 and name H) 4.0 2.2 0.0
assign (resid 31 and name HD##)  (resid 28 and name H) 4.0 2.2 0.0
assign (resid 31 and name HD##)  (resid 31 and name H) 4.0 2.2 0.0
assign (resid 31 and name H)  (resid 30 and name HA) 4.0 2.2 0.0
assign (resid 31 and name H)  (resid 30 and name H) 4.0 2.2 0.0
assign (resid 31 and name H)  (resid 32 and name H) 4.0 2.2 0.0
assign (resid 32 and name HA)  (resid 32 and name H) 4.0 2.2 0.0
assign (resid 32 and name HB)  (resid 33 and name H) 4.0 2.2 0.0
assign (resid 32 and name HG2#)  (resid 32 and name H) 4.0 2.2 0.0
assign (resid 32 and name H)  (resid 33 and name H) 4.0 2.2 0.0
assign (resid 33 and name HA)  (resid 33 and name HB#) 4.0 2.2 0.0
assign (resid 33 and name HA)  (resid 34 and name HN2) 4.0 2.2 0.0
assign (resid 33 and name HB#)  (resid 33 and name H) 4.0 2.2 0.0
assign (resid 3 and name H)  (resid 2 and name HB#) 5.0 3.2 0.0
assign (resid 5 and name HB#)  (resid 8 and name H) 5.0 3.2 0.0
assign (resid 6 and name HB#)  (resid 7 and name H) 5.0 3.2 0.0
assign (resid 7 and name HA)  (resid 9 and name H) 5.0 3.2 0.0
assign (resid 8 and name HG#)  (resid 8 and name HE) 5.0 3.2 0.0
assign (resid 8 and name HG#)  (resid 9 and name H) 5.0 3.2 0.0
assign (resid 9 and name HA)  (resid 8 and name H) 5.0 3.2 0.0
assign (resid 9 and name HB#)  (resid 11 and name H) 5.0 3.2 0.0
assign (resid 10 and name HA)  (resid 9 and name H) 5.0 3.2 0.0
assign (resid 10 and name HG#)  (resid 9 and name H) 5.0 3.2 0.0
assign (resid 11 and name HG2#)  (resid 9 and name H) 5.0 3.2 0.0
assign (resid 11 and name HG2#)  (resid 10 and name H) 5.0 3.2 0.0
assign (resid 13 and name HB#)  (resid 14 and name H) 5.0 3.2 0.0
assign (resid 13 and name HB#)  (resid 16 and name H) 5.0 3.2 0.0
assign (resid 14 and name HA)  (resid 16 and name H) 5.0 3.2 0.0
assign (resid 14 and name HA)  (resid 17 and name H) 5.0 3.2 0.0
assign (resid 15 and name HB#)  (resid 15 and name HE) 5.0 3.2 0.0
assign (resid 15 and name HG#)  (resid 15 and name HE) 5.0 3.2 0.0
assign (resid 17 and name HA)  (resid 21 and name H) 5.0 3.2 0.0
assign (resid 20 and name HD##)  (resid 21 and name H) 5.0 3.2 0.0
assign (resid 21 and name HB#)  (resid 22 and name H) 5.0 3.2 0.0
assign (resid 21 and name HD2)  (resid 21 and name H) 5.0 3.2 0.0
assign (resid 22 and name HA#)  (resid 21 and name H) 5.0 3.2 0.0
assign (resid 22 and name HA#)  (resid 24 and name H) 5.0 3.2 0.0
assign (resid 25 and name HB#)  (resid 26 and name H) 5.0 3.2 0.0
assign (resid 32 and name HG2#)  (resid 33 and name H) 5.0 3.2 0.0
assign (resid 33 and name HD##)  (resid 33 and name H) 5.0 3.2 0.0

assign (resid 2 and name N ) (resid 2 and name CA )
  (resid 2 and name C ) (resid 3 and name N ) 1.0 140.00 14.00 2.0 !1sigma

assign (resid 2 and name C ) (resid 3 and name N )
  (resid 3 and name CA ) (resid 3 and name C ) 1.0 -81.00 10.00 2.0 !1sigma

assign (resid 3 and name N ) (resid 3 and name CA )
  (resid 3 and name C ) (resid 4 and name N ) 1.0 143.00 21.00 2.0 !1sigma

assign (resid 4 and name N ) (resid 4 and name CA )
  (resid 4 and name C ) (resid 5 and name N ) 1.0 146.00 9.00 2.0 !1sigma

assign (resid 4 and name C ) (resid 5 and name N )
  (resid 5 and name CA ) (resid 5 and name C ) 1.0 -71.00 19.00 2.0 !1sigma

assign (resid 5 and name N ) (resid 5 and name CA )
  (resid 5 and name C ) (resid 6 and name N ) 1.0 -27.00 19.00 2.0 !1sigma

assign (resid 7 and name C ) (resid 8 and name N )
  (resid 8 and name CA ) (resid 8 and name C ) 1.0 -70.00 9.00 2.0 !1sigma

assign (resid 8 and name N ) (resid 8 and name CA )
  (resid 8 and name C ) (resid 9 and name N ) 1.0 -29.00 11.00 2.0 !1sigma

assign (resid 8 and name C ) (resid 9 and name N )
  (resid 9 and name CA ) (resid 9 and name C ) 1.0 -85.00 13.00 2.0 !1sigma

assign (resid 9 and name N ) (resid 9 and name CA )
  (resid 9 and name C ) (resid 10 and name N ) 1.0 -1.00 21.00 2.0 !1sigma

assign (resid 9 and name C ) (resid 10 and name N )
  (resid 10 and name CA ) (resid 10 and name C ) 1.0 60.00 8.00 2.0 !1sigma

assign (resid 10 and name N ) (resid 10 and name CA )
  (resid 10 and name C ) (resid 11 and name N ) 1.0 35.00 8.00 2.0 !1sigma

assign (resid 10 and name C ) (resid 11 and name N )
  (resid 11 and name CA ) (resid 11 and name C ) 1.0 -95.00 12.00 2.0 !1sigma

assign (resid 11 and name N ) (resid 11 and name CA )
  (resid 11 and name C ) (resid 12 and name N ) 1.0 -3.00 8.00 2.0 !1sigma

assign (resid 11 and name C ) (resid 12 and name N )
  (resid 12 and name CA ) (resid 12 and name C ) 1.0 -147.00 44.00 2.0 !2sigma

assign (resid 12 and name N ) (resid 12 and name CA )
  (resid 12 and name C ) (resid 13 and name N ) 1.0 165.00 10.00 2.0 !2sigma

assign (resid 12 and name C ) (resid 13 and name N )
  (resid 13 and name CA ) (resid 13 and name C ) 1.0 -78.00 21.00 2.0 !1sigma

assign (resid 13 and name N ) (resid 13 and name CA )
  (resid 13 and name C ) (resid 14 and name N ) 1.0 136.00 12.00 2.0 !1sigma

assign (resid 14 and name C ) (resid 15 and name N )
  (resid 15 and name CA ) (resid 15 and name C ) 1.0 -78.00 56.00 2.0 !2sigma

assign (resid 15 and name N ) (resid 15 and name CA )
  (resid 15 and name C ) (resid 16 and name N ) 1.0 -23.00 42.00 2.0 !2sigma

assign (resid 15 and name C ) (resid 16 and name N )
  (resid 16 and name CA ) (resid 16 and name C ) 1.0 -65.00 9.00 2.0 !1sigma

assign (resid 16 and name N ) (resid 16 and name CA )
  (resid 16 and name C ) (resid 17 and name N ) 1.0 -33.00 21.00 2.0 !1sigma

assign (resid 16 and name C ) (resid 17 and name N )
  (resid 17 and name CA ) (resid 17 and name C ) 1.0 -64.00 5.00 2.0 !1sigma

assign (resid 17 and name N ) (resid 17 and name CA )
  (resid 17 and name C ) (resid 18 and name N ) 1.0 -44.00 5.00 2.0 !1sigma

assign (resid 17 and name C ) (resid 18 and name N )
  (resid 18 and name CA ) (resid 18 and name C ) 1.0 -67.00 6.00 2.0 !1sigma

assign (resid 18 and name N ) (resid 18 and name CA )
  (resid 18 and name C ) (resid 19 and name N ) 1.0 -40.00 5.00 2.0 !1sigma

assign (resid 18 and name C ) (resid 19 and name N )
  (resid 19 and name CA ) (resid 19 and name C ) 1.0 -65.00 14.00 2.0 !1sigma

assign (resid 19 and name N ) (resid 19 and name CA )
  (resid 19 and name C ) (resid 20 and name N ) 1.0 -32.00 22.00 2.0 !1sigma

assign (resid 19 and name C ) (resid 20 and name N )
  (resid 20 and name CA ) (resid 20 and name C ) 1.0 -73.00 13.00 2.0 !1sigma

assign (resid 20 and name N ) (resid 20 and name CA )
  (resid 20 and name C ) (resid 21 and name N ) 1.0 -19.00 26.00 2.0 !1sigma

assign (resid 20 and name C ) (resid 21 and name N )
  (resid 21 and name CA ) (resid 21 and name C ) 1.0 -79.00 15.00 2.0 !1sigma

assign (resid 21 and name N ) (resid 21 and name CA )
  (resid 21 and name C ) (resid 22 and name N ) 1.0 -12.00 26.00 2.0 !1sigma

assign (resid 22 and name C ) (resid 23 and name N )
  (resid 23 and name CA ) (resid 23 and name C ) 1.0 -93.00 10.00 2.0 !1sigma

assign (resid 23 and name N ) (resid 23 and name CA )
  (resid 23 and name C ) (resid 24 and name N ) 1.0 7.00 7.00 2.0 !1sigma

assign (resid 24 and name C ) (resid 25 and name N )
  (resid 25 and name CA ) (resid 25 and name C ) 1.0 -72.00 11.00 2.0 !1sigma

assign (resid 25 and name N ) (resid 25 and name CA )
  (resid 25 and name C ) (resid 26 and name N ) 1.0 -34.00 8.00 2.0 !1sigma

assign (resid 25 and name C ) (resid 26 and name N )
  (resid 26 and name CA ) (resid 26 and name C ) 1.0 -72.00 9.00 2.0 !1sigma

assign (resid 26 and name N ) (resid 26 and name CA )
  (resid 26 and name C ) (resid 27 and name N ) 1.0 -39.00 10.00 2.0 !1sigma

assign (resid 26 and name C ) (resid 27 and name N )
  (resid 27 and name CA ) (resid 27 and name C ) 1.0 -69.00 12.00 2.0 !1sigma

assign (resid 27 and name N ) (resid 27 and name CA )
  (resid 27 and name C ) (resid 28 and name N ) 1.0 -36.00 9.00 2.0 !1sigma

assign (resid 27 and name C ) (resid 28 and name N )
  (resid 28 and name CA ) (resid 28 and name C ) 1.0 -78.00 15.00 2.0 !1sigma

assign (resid 28 and name N ) (resid 28 and name CA )
  (resid 28 and name C ) (resid 29 and name N ) 1.0 -10.00 28.00 2.0 !1sigma

assign (resid 29 and name C ) (resid 30 and name N )
  (resid 30 and name CA ) (resid 30 and name C ) 1.0 -66.00 26.00 2.0 !2sigma

assign (resid 30 and name N ) (resid 30 and name CA )
  (resid 30 and name C ) (resid 31 and name N ) 1.0 -33.00 66.00 2.0 !2sigma

assign (resid 30 and name C ) (resid 31 and name N )
  (resid 31 and name CA ) (resid 31 and name C ) 1.0 -62.00 7.00 2.0 !1sigma

assign (resid 31 and name N ) (resid 31 and name CA )
  (resid 31 and name C ) (resid 32 and name N ) 1.0 -38.00 7.00 2.0 !1sigma

assign (resid 31 and name C ) (resid 32 and name N )
  (resid 32 and name CA ) (resid 32 and name C ) 1.0 -71.00 42.00 2.0 !2sigma

assign (resid 32 and name N ) (resid 32 and name CA )
  (resid 32 and name C ) (resid 33 and name N ) 1.0 -40.00 30.00 2.0 !2sigma


assign (resid 33 and name H)  (resid 29 and name O) 2.3 0.5 0.0
assign (resid 33 and name N)  (resid 29 and name O) 3.3 0.5 0.0

assign (resid 32 and name H)  (resid 28 and name O) 2.3 0.5 0.0
assign (resid 32 and name N)  (resid 28 and name O) 3.3 0.5 0.0

assign (resid 31 and name H)  (resid 27 and name O) 2.3 0.5 0.0
assign (resid 31 and name N)  (resid 27 and name O) 3.3 0.5 0.0

assign (resid 30 and name H)  (resid 26 and name O) 2.3 0.5 0.0
assign (resid 30 and name N)  (resid 26 and name O) 3.3 0.5 0.0

assign (resid 29 and name H)  (resid 25 and name O) 2.3 0.5 0.0
assign (resid 29 and name N)  (resid 25 and name O) 3.3 0.5 0.0

assign (resid 22 and name H)  (resid 18 and name O) 2.3 0.5 0.0
assign (resid 22 and name N)  (resid 18 and name O) 3.3 0.5 0.0

assign (resid 24 and name H)  (resid 20 and name O) 2.3 0.5 0.0
assign (resid 24 and name N)  (resid 20 and name O) 3.3 0.5 0.0

assign (resid 9 and name H)  (resid 5 and name O) 2.3 0.5 0.0
assign (resid 9 and name N)  (resid 5 and name O) 3.3 0.5 0.0

assign (resid 11 and name H)  (resid 6 and name O) 2.3 0.5 0.0
assign (resid 11 and name N)  (resid 6 and name O) 3.3 0.5 0.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PCA   1           H1       PCA   1   3.836   1.574   3.819
    2    HA   PCA   1           HA       PCA   1   2.549   3.496   2.463
    3    HB2  PCA   1           HB2      PCA   1   4.127   5.119   1.711
    4    HB3  PCA   1           HB3      PCA   1   5.502   4.028   1.959
    5    HG2  PCA   1           HG2      PCA   1   3.738   5.296   4.118
    6    HG3  PCA   1           HG3      PCA   1   5.511   5.236   4.060
    7    HA   PRO   2           HA       PRO   2   2.497   0.533  -0.676
    8    HB2  PRO   2           HB2      PRO   2   2.189   2.057  -2.901
    9    HB3  PRO   2           HB3      PRO   2   0.905   1.828  -1.708
   10    HG2  PRO   2           HG2      PRO   2   2.797   4.125  -2.036
   11    HG3  PRO   2           HG3      PRO   2   1.056   4.148  -1.700
   12    HD2  PRO   2           HD2      PRO   2   2.917   4.507   0.233
   13    HD3  PRO   2           HD3      PRO   2   1.356   3.723   0.545
   14    H    LEU   3           H        LEU   3   3.712  -0.486  -2.280
   15    HA   LEU   3           HA       LEU   3   6.487   0.268  -2.374
   16    HB2  LEU   3           HB2      LEU   3   6.818  -1.884  -2.805
   17    HB3  LEU   3           HB3      LEU   3   5.086  -2.104  -2.567
   18    HG   LEU   3           HG       LEU   3   6.274  -1.485  -5.260
   19   HD11  LEU   3          HD11      LEU   3   6.490  -3.753  -5.750
   20   HD12  LEU   3          HD12      LEU   3   5.558  -4.245  -4.337
   21   HD13  LEU   3          HD13      LEU   3   7.188  -3.602  -4.137
   22   HD21  LEU   3          HD21      LEU   3   3.650  -2.648  -4.337
   23   HD22  LEU   3          HD22      LEU   3   4.168  -2.560  -6.020
   24   HD23  LEU   3          HD23      LEU   3   3.912  -1.079  -5.098
   25    HA   PRO   4           HA       PRO   4   6.727   2.298  -6.256
   26    HB2  PRO   4           HB2      PRO   4   8.875   1.146  -7.452
   27    HB3  PRO   4           HB3      PRO   4   9.017   2.240  -6.071
   28    HG2  PRO   4           HG2      PRO   4   9.077  -0.752  -6.130
   29    HG3  PRO   4           HG3      PRO   4  10.105   0.370  -5.219
   30    HD2  PRO   4           HD2      PRO   4   8.017  -0.936  -4.093
   31    HD3  PRO   4           HD3      PRO   4   8.518   0.688  -3.578
   32    H    ASP   5           H        ASP   5   5.750   2.183  -8.193
   33    HA   ASP   5           HA       ASP   5   4.653  -0.329  -9.064
   34    HB2  ASP   5           HB2      ASP   5   4.455   2.032 -10.841
   35    HB3  ASP   5           HB3      ASP   5   3.205   0.911 -10.310
   36    H    CYS   6           H        CYS   6   6.982   2.014 -10.364
   37    HA   CYS   6           HA       CYS   6   7.519   0.746 -12.787
   38    HB2  CYS   6           HB2      CYS   6   9.340   2.413 -11.039
   39    HB3  CYS   6           HB3      CYS   6   9.704   1.955 -12.700
   40    H    CYS   7           H        CYS   7   8.628   0.043  -9.557
   41    HA   CYS   7           HA       CYS   7  10.789  -1.655 -10.299
   42    HB2  CYS   7           HB2      CYS   7   9.889  -0.547  -7.940
   43    HB3  CYS   7           HB3      CYS   7   9.521  -2.256  -7.729
   44    H    ARG   8           H        ARG   8   7.362  -2.089  -9.954
   45    HA   ARG   8           HA       ARG   8   7.475  -4.964  -9.841
   46    HB2  ARG   8           HB2      ARG   8   5.338  -2.899  -9.907
   47    HB3  ARG   8           HB3      ARG   8   4.918  -4.507 -10.482
   48    HG2  ARG   8           HG2      ARG   8   6.317  -4.840  -8.057
   49    HG3  ARG   8           HG3      ARG   8   5.133  -3.556  -7.807
   50    HD2  ARG   8           HD2      ARG   8   3.369  -5.014  -8.666
   51    HD3  ARG   8           HD3      ARG   8   4.552  -6.293  -8.933
   52    HE   ARG   8           HE       ARG   8   4.475  -5.361  -6.220
   53   HH11  ARG   8          HH11      ARG   8   3.038  -7.529  -8.534
   54   HH12  ARG   8          HH12      ARG   8   2.455  -8.633  -7.332
   55   HH21  ARG   8          HH21      ARG   8   3.712  -6.806  -4.629
   56   HH22  ARG   8          HH22      ARG   8   2.838  -8.220  -5.112
   57    H    GLN   9           H        GLN   9   6.827  -2.512 -12.299
   58    HA   GLN   9           HA       GLN   9   6.561  -4.601 -14.333
   59    HB2  GLN   9           HB2      GLN   9   6.195  -1.624 -14.677
   60    HB3  GLN   9           HB3      GLN   9   5.694  -2.894 -15.786
   61    HG2  GLN   9           HG2      GLN   9   4.414  -3.577 -13.455
   62    HG3  GLN   9           HG3      GLN   9   4.349  -1.815 -13.447
   63   HE21  GLN   9          HE21      GLN   9   4.164  -1.279 -16.130
   64   HE22  GLN   9          HE22      GLN   9   2.663  -1.880 -16.738
   65    H    LYS  10           H        LYS  10   8.951  -2.785 -12.953
   66    HA   LYS  10           HA       LYS  10  11.058  -2.152 -13.549
   67    HB2  LYS  10           HB2      LYS  10  10.660  -4.460 -15.461
   68    HB3  LYS  10           HB3      LYS  10  12.211  -3.698 -15.135
   69    HG2  LYS  10           HG2      LYS  10  12.108  -4.386 -12.823
   70    HG3  LYS  10           HG3      LYS  10  10.494  -5.057 -13.067
   71    HD2  LYS  10           HD2      LYS  10  12.900  -5.989 -14.618
   72    HD3  LYS  10           HD3      LYS  10  12.414  -6.711 -13.083
   73    HE2  LYS  10           HE2      LYS  10  10.166  -7.138 -14.092
   74    HE3  LYS  10           HE3      LYS  10  10.817  -6.592 -15.637
   75    HZ1  LYS  10           HZ1      LYS  10  10.874  -9.006 -15.427
   76    HZ2  LYS  10           HZ2      LYS  10  11.852  -8.882 -14.053
   77    HZ3  LYS  10           HZ3      LYS  10  12.437  -8.371 -15.556
   78    H    THR  11           H        THR  11   9.137  -0.542 -14.690
   79    HA   THR  11           HA       THR  11  10.094  -0.096 -17.436
   80    HB   THR  11           HB       THR  11   8.081   0.931 -17.976
   81    HG1  THR  11           HG1      THR  11   6.823   1.995 -16.542
   82   HG21  THR  11          HG21      THR  11   7.629  -1.302 -16.032
   83   HG22  THR  11          HG22      THR  11   7.452  -1.295 -17.787
   84   HG23  THR  11          HG23      THR  11   6.257  -0.483 -16.776
   85    H    CYS  12           H        CYS  12  10.802   0.884 -14.431
   86    HA   CYS  12           HA       CYS  12  12.281   3.121 -15.193
   87    HB2  CYS  12           HB2      CYS  12  10.633   4.632 -13.595
   88    HB3  CYS  12           HB3      CYS  12  10.676   4.693 -15.354
   89    H    SER  13           H        SER  13  12.872   4.495 -13.146
   90    HA   SER  13           HA       SER  13  13.983   2.720 -11.264
   91    HB2  SER  13           HB2      SER  13  14.527   5.265 -11.967
   92    HB3  SER  13           HB3      SER  13  13.650   5.558 -10.466
   93    HG   SER  13           HG       SER  13  15.810   5.296  -9.974
   94    H    CYS  14           H        CYS  14  13.493   2.320  -9.110
   95    HA   CYS  14           HA       CYS  14  10.677   2.520  -8.457
   96    HB2  CYS  14           HB2      CYS  14  12.619   1.375  -6.518
   97    HB3  CYS  14           HB3      CYS  14  11.024   0.796  -6.988
   98    H    ARG  15           H        ARG  15  13.725   3.887  -7.417
   99    HA   ARG  15           HA       ARG  15  12.760   5.054  -5.010
  100    HB2  ARG  15           HB2      ARG  15  15.169   4.614  -5.526
  101    HB3  ARG  15           HB3      ARG  15  15.115   5.937  -6.684
  102    HG2  ARG  15           HG2      ARG  15  15.146   7.527  -5.080
  103    HG3  ARG  15           HG3      ARG  15  14.211   6.554  -3.943
  104    HD2  ARG  15           HD2      ARG  15  16.110   5.304  -3.302
  105    HD3  ARG  15           HD3      ARG  15  17.057   5.907  -4.661
  106    HE   ARG  15           HE       ARG  15  16.190   7.979  -2.878
  107   HH11  ARG  15          HH11      ARG  15  18.622   5.557  -3.461
  108   HH12  ARG  15          HH12      ARG  15  19.840   6.370  -2.535
  109   HH21  ARG  15          HH21      ARG  15  17.785   9.059  -1.656
  110   HH22  ARG  15          HH22      ARG  15  19.363   8.361  -1.508
  111    H    LEU  16           H        LEU  16  11.875   5.668  -8.090
  112    HA   LEU  16           HA       LEU  16  11.970   8.426  -8.416
  113    HB2  LEU  16           HB2      LEU  16  10.660   8.087 -10.211
  114    HB3  LEU  16           HB3      LEU  16  11.023   6.394  -9.885
  115    HG   LEU  16           HG       LEU  16   8.555   7.757  -8.832
  116   HD11  LEU  16          HD11      LEU  16   7.405   7.376 -10.736
  117   HD12  LEU  16          HD12      LEU  16   8.352   5.949 -11.156
  118   HD13  LEU  16          HD13      LEU  16   8.999   7.560 -11.468
  119   HD21  LEU  16          HD21      LEU  16   8.325   5.833  -7.749
  120   HD22  LEU  16          HD22      LEU  16   9.749   5.158  -8.542
  121   HD23  LEU  16          HD23      LEU  16   8.166   5.026  -9.310
  122    H    TYR  17           H        TYR  17   9.775   6.441  -6.532
  123    HA   TYR  17           HA       TYR  17   7.869   8.473  -5.991
  124    HB2  TYR  17           HB2      TYR  17   7.000   6.966  -4.307
  125    HB3  TYR  17           HB3      TYR  17   7.417   6.041  -5.745
  126    HD1  TYR  17           HD1      TYR  17   8.789   7.042  -2.426
  127    HD2  TYR  17           HD2      TYR  17   8.760   4.153  -5.550
  128    HE1  TYR  17           HE1      TYR  17  10.189   5.554  -1.055
  129    HE2  TYR  17           HE2      TYR  17  10.159   2.657  -4.187
  130    HH   TYR  17           HH       TYR  17  11.440   3.683  -1.060
  131    H    GLU  18           H        GLU  18  10.792   7.372  -4.357
  132    HA   GLU  18           HA       GLU  18  10.498   8.796  -1.965
  133    HB2  GLU  18           HB2      GLU  18  12.469   7.181  -3.165
  134    HB3  GLU  18           HB3      GLU  18  13.260   8.704  -2.782
  135    HG2  GLU  18           HG2      GLU  18  12.036   6.693  -0.961
  136    HG3  GLU  18           HG3      GLU  18  13.602   7.497  -0.863
  137    H    LEU  19           H        LEU  19  11.635   9.785  -5.127
  138    HA   LEU  19           HA       LEU  19  12.921  12.161  -4.512
  139    HB2  LEU  19           HB2      LEU  19  11.404  11.167  -6.872
  140    HB3  LEU  19           HB3      LEU  19  11.856  12.870  -6.818
  141    HG   LEU  19           HG       LEU  19  14.248  11.843  -6.325
  142   HD11  LEU  19          HD11      LEU  19  12.704   9.541  -6.926
  143   HD12  LEU  19          HD12      LEU  19  14.434   9.655  -6.605
  144   HD13  LEU  19          HD13      LEU  19  13.832   9.808  -8.255
  145   HD21  LEU  19          HD21      LEU  19  13.707  13.321  -8.175
  146   HD22  LEU  19          HD22      LEU  19  12.972  11.980  -9.055
  147   HD23  LEU  19          HD23      LEU  19  14.706  11.978  -8.732
  148    H    LEU  20           H        LEU  20   9.478  11.709  -5.321
  149    HA   LEU  20           HA       LEU  20   8.839  14.424  -4.614
  150    HB2  LEU  20           HB2      LEU  20   6.813  12.252  -4.968
  151    HB3  LEU  20           HB3      LEU  20   6.676  13.969  -5.339
  152    HG   LEU  20           HG       LEU  20   8.719  12.828  -6.978
  153   HD11  LEU  20          HD11      LEU  20   7.425  10.721  -6.476
  154   HD12  LEU  20          HD12      LEU  20   7.567  11.152  -8.180
  155   HD13  LEU  20          HD13      LEU  20   6.062  11.461  -7.314
  156   HD21  LEU  20          HD21      LEU  20   7.243  14.861  -7.323
  157   HD22  LEU  20          HD22      LEU  20   5.974  13.736  -7.806
  158   HD23  LEU  20          HD23      LEU  20   7.479  13.815  -8.723
  159    H    HIS  21           H        HIS  21   8.658  11.273  -3.099
  160    HA   HIS  21           HA       HIS  21   6.960  11.978  -0.952
  161    HB2  HIS  21           HB2      HIS  21   8.745   9.724  -1.626
  162    HB3  HIS  21           HB3      HIS  21   8.466   9.975   0.095
  163    HD1  HIS  21           HD1      HIS  21   6.718   8.394   0.820
  164    HD2  HIS  21           HD2      HIS  21   5.883   9.999  -2.920
  165    HE1  HIS  21           HE1      HIS  21   4.483   7.446   0.165
  166    H    GLY  22           H        GLY  22  10.199  12.769  -1.647
  167    HA2  GLY  22           HA2      GLY  22  10.697  13.484   1.173
  168    HA3  GLY  22           HA3      GLY  22  11.953  13.200  -0.024
  169    H    ALA  23           H        ALA  23  10.836  14.722  -2.136
  170    HA   ALA  23           HA       ALA  23  11.571  17.372  -1.210
  171    HB1  ALA  23           HB1      ALA  23  10.774  16.787  -4.027
  172    HB2  ALA  23           HB2      ALA  23  11.986  17.911  -3.411
  173    HB3  ALA  23           HB3      ALA  23  12.310  16.177  -3.408
  174    H    GLY  24           H        GLY  24   8.788  15.739  -1.105
  175    HA2  GLY  24           HA2      GLY  24   7.059  17.652  -0.418
  176    HA3  GLY  24           HA3      GLY  24   7.032  17.802  -2.169
  177    H    ASN  25           H        ASN  25   6.598  15.445   0.450
  178    HA   ASN  25           HA       ASN  25   5.261  13.538  -1.188
  179    HB2  ASN  25           HB2      ASN  25   5.219  12.217   0.671
  180    HB3  ASN  25           HB3      ASN  25   6.428  13.372   1.224
  181   HD21  ASN  25          HD21      ASN  25   5.720  15.115   2.587
  182   HD22  ASN  25          HD22      ASN  25   4.347  14.897   3.613
  183    H    HIS  26           H        HIS  26   4.226  16.217   0.824
  184    HA   HIS  26           HA       HIS  26   1.482  15.607   0.942
  185    HB2  HIS  26           HB2      HIS  26   3.195  17.879   1.569
  186    HB3  HIS  26           HB3      HIS  26   1.626  18.382   0.948
  187    HD1  HIS  26           HD1      HIS  26   1.378  19.313   3.478
  188    HD2  HIS  26           HD2      HIS  26   1.318  15.186   2.997
  189    HE1  HIS  26           HE1      HIS  26   0.384  18.403   5.601
  190    H    ALA  27           H        ALA  27   3.457  17.039  -1.539
  191    HA   ALA  27           HA       ALA  27   1.533  18.349  -3.067
  192    HB1  ALA  27           HB1      ALA  27   3.196  18.656  -4.536
  193    HB2  ALA  27           HB2      ALA  27   4.210  17.898  -3.308
  194    HB3  ALA  27           HB3      ALA  27   3.560  16.933  -4.633
  195    H    ALA  28           H        ALA  28   2.412  14.938  -2.944
  196    HA   ALA  28           HA       ALA  28   0.612  14.251  -5.107
  197    HB1  ALA  28           HB1      ALA  28   1.578  12.185  -5.104
  198    HB2  ALA  28           HB2      ALA  28   2.883  13.117  -4.369
  199    HB3  ALA  28           HB3      ALA  28   1.798  12.167  -3.354
  200    H    GLY  29           H        GLY  29   0.628  14.244  -1.612
  201    HA2  GLY  29           HA2      GLY  29  -1.628  12.533  -1.274
  202    HA3  GLY  29           HA3      GLY  29  -0.954  13.613  -0.063
  203    H    ILE  30           H        ILE  30  -1.238  15.998  -1.697
  204    HA   ILE  30           HA       ILE  30  -4.032  16.516  -1.124
  205    HB   ILE  30           HB       ILE  30  -1.731  18.273  -1.937
  206   HG12  ILE  30          HG12      ILE  30  -1.844  19.119   0.226
  207   HG13  ILE  30          HG13      ILE  30  -3.534  18.670   0.423
  208   HG21  ILE  30          HG21      ILE  30  -4.659  18.916  -1.906
  209   HG22  ILE  30          HG22      ILE  30  -3.442  20.160  -1.625
  210   HG23  ILE  30          HG23      ILE  30  -3.459  19.271  -3.147
  211   HD11  ILE  30          HD11      ILE  30  -1.159  16.826   0.467
  212   HD12  ILE  30          HD12      ILE  30  -2.177  17.290   1.831
  213   HD13  ILE  30          HD13      ILE  30  -2.841  16.300   0.532
  214    H    LEU  31           H        LEU  31  -1.873  16.573  -3.938
  215    HA   LEU  31           HA       LEU  31  -3.749  17.463  -5.822
  216    HB2  LEU  31           HB2      LEU  31  -2.192  16.933  -7.440
  217    HB3  LEU  31           HB3      LEU  31  -1.193  17.181  -6.009
  218    HG   LEU  31           HG       LEU  31  -1.246  14.648  -5.731
  219   HD11  LEU  31          HD11      LEU  31  -2.662  13.570  -7.072
  220   HD12  LEU  31          HD12      LEU  31  -1.488  13.852  -8.356
  221   HD13  LEU  31          HD13      LEU  31  -2.841  14.962  -8.141
  222   HD21  LEU  31          HD21      LEU  31   0.097  15.595  -8.249
  223   HD22  LEU  31          HD22      LEU  31   0.649  14.371  -7.105
  224   HD23  LEU  31          HD23      LEU  31   0.645  16.073  -6.642
  225    H    THR  32           H        THR  32  -3.140  14.307  -4.460
  226    HA   THR  32           HA       THR  32  -4.813  12.943  -6.389
  227    HB   THR  32           HB       THR  32  -2.854  11.802  -5.402
  228    HG1  THR  32           HG1      THR  32  -5.213  10.481  -4.539
  229   HG21  THR  32          HG21      THR  32  -4.376  11.478  -2.845
  230   HG22  THR  32          HG22      THR  32  -3.351  12.893  -3.087
  231   HG23  THR  32          HG23      THR  32  -2.652  11.276  -3.155
  232    H    LEU  33           H        LEU  33  -4.987  13.852  -2.964
  233    HA   LEU  33           HA       LEU  33  -6.718  13.930  -1.487
  234    HB2  LEU  33           HB2      LEU  33  -7.370  15.470  -3.562
  235    HB3  LEU  33           HB3      LEU  33  -8.680  14.297  -3.680
  236    HG   LEU  33           HG       LEU  33  -8.454  15.208  -0.972
  237   HD11  LEU  33          HD11      LEU  33  -9.290  17.585  -1.636
  238   HD12  LEU  33          HD12      LEU  33  -8.350  17.298  -3.100
  239   HD13  LEU  33          HD13      LEU  33  -7.560  17.256  -1.523
  240   HD21  LEU  33          HD21      LEU  33 -10.653  15.900  -2.882
  241   HD22  LEU  33          HD22      LEU  33 -10.748  15.494  -1.169
  242   HD23  LEU  33          HD23      LEU  33 -10.407  14.235  -2.357
  243    HN1  NH2  34           HN1      NH2  34  -9.761  12.155  -2.360
  244    HN2  NH2  34           HN2      NH2  34  -8.994  12.556  -0.866
  Start of MODEL    2
    1    H1   PCA   1           H1       PCA   1  -0.492   0.000  -0.838
    2    HA   PCA   1           HA       PCA   1   1.864   0.983  -0.018
    3    HB2  PCA   1           HB2      PCA   1   2.722  -0.388   1.734
    4    HB3  PCA   1           HB3      PCA   1   1.639  -1.733   1.334
    5    HG2  PCA   1           HG2      PCA   1   0.854   0.986   2.505
    6    HG3  PCA   1           HG3      PCA   1   0.348  -0.622   3.059
    7    HA   PRO   2           HA       PRO   2   1.589  -1.440  -3.914
    8    HB2  PRO   2           HB2      PRO   2   2.026   0.709  -5.514
    9    HB3  PRO   2           HB3      PRO   2   0.416   0.240  -4.953
   10    HG2  PRO   2           HG2      PRO   2   2.251   2.355  -3.893
   11    HG3  PRO   2           HG3      PRO   2   0.500   2.426  -4.164
   12    HD2  PRO   2           HD2      PRO   2   1.578   2.018  -1.714
   13    HD3  PRO   2           HD3      PRO   2   0.023   1.315  -2.202
   14    H    LEU   3           H        LEU   3   3.376  -2.405  -4.642
   15    HA   LEU   3           HA       LEU   3   5.974  -1.355  -3.926
   16    HB2  LEU   3           HB2      LEU   3   6.742  -3.457  -4.183
   17    HB3  LEU   3           HB3      LEU   3   5.031  -3.853  -4.035
   18    HG   LEU   3           HG       LEU   3   5.325  -3.480  -6.739
   19   HD11  LEU   3          HD11      LEU   3   7.799  -3.344  -6.353
   20   HD12  LEU   3          HD12      LEU   3   7.283  -4.609  -7.468
   21   HD13  LEU   3          HD13      LEU   3   7.738  -5.023  -5.815
   22   HD21  LEU   3          HD21      LEU   3   4.637  -5.639  -6.858
   23   HD22  LEU   3          HD22      LEU   3   4.350  -5.376  -5.138
   24   HD23  LEU   3          HD23      LEU   3   5.816  -6.199  -5.672
   25    HA   PRO   4           HA       PRO   4   7.093   0.464  -7.759
   26    HB2  PRO   4           HB2      PRO   4   9.725  -0.182  -7.934
   27    HB3  PRO   4           HB3      PRO   4   9.103   1.013  -6.790
   28    HG2  PRO   4           HG2      PRO   4   9.815  -1.858  -6.330
   29    HG3  PRO   4           HG3      PRO   4  10.163  -0.444  -5.319
   30    HD2  PRO   4           HD2      PRO   4   8.133  -2.155  -4.782
   31    HD3  PRO   4           HD3      PRO   4   8.048  -0.423  -4.401
   32    H    ASP   5           H        ASP   5   6.961  -0.046  -9.867
   33    HA   ASP   5           HA       ASP   5   6.835  -2.816 -10.635
   34    HB2  ASP   5           HB2      ASP   5   6.804  -0.715 -12.725
   35    HB3  ASP   5           HB3      ASP   5   5.733  -2.095 -12.496
   36    H    CYS   6           H        CYS   6   8.913  -0.048 -11.425
   37    HA   CYS   6           HA       CYS   6  10.572  -1.300 -13.278
   38    HB2  CYS   6           HB2      CYS   6  11.192   0.902 -11.302
   39    HB3  CYS   6           HB3      CYS   6  12.260   0.431 -12.620
   40    H    CYS   7           H        CYS   7  10.527  -1.467  -9.795
   41    HA   CYS   7           HA       CYS   7  13.117  -2.595  -9.466
   42    HB2  CYS   7           HB2      CYS   7  11.172  -1.614  -7.771
   43    HB3  CYS   7           HB3      CYS   7  11.145  -3.343  -7.437
   44    H    ARG   8           H        ARG   8   9.994  -3.883 -10.270
   45    HA   ARG   8           HA       ARG   8  10.682  -6.616  -9.682
   46    HB2  ARG   8           HB2      ARG   8   8.329  -5.185 -10.799
   47    HB3  ARG   8           HB3      ARG   8   8.518  -6.878 -11.236
   48    HG2  ARG   8           HG2      ARG   8   8.883  -6.390  -8.390
   49    HG3  ARG   8           HG3      ARG   8   7.288  -5.921  -8.981
   50    HD2  ARG   8           HD2      ARG   8   7.191  -8.208  -8.271
   51    HD3  ARG   8           HD3      ARG   8   7.083  -8.165 -10.030
   52    HE   ARG   8           HE       ARG   8   9.761  -8.497  -9.394
   53   HH11  ARG   8          HH11      ARG   8   6.770 -10.229  -8.974
   54   HH12  ARG   8          HH12      ARG   8   7.520 -11.790  -8.991
   55   HH21  ARG   8          HH21      ARG   8  10.760 -10.547  -9.418
   56   HH22  ARG   8          HH22      ARG   8   9.790 -11.970  -9.243
   57    H    GLN   9           H        GLN   9  10.485  -4.576 -12.559
   58    HA   GLN   9           HA       GLN   9  11.460  -6.786 -14.212
   59    HB2  GLN   9           HB2      GLN   9  10.606  -4.031 -15.106
   60    HB3  GLN   9           HB3      GLN   9  10.861  -5.445 -16.119
   61    HG2  GLN   9           HG2      GLN   9   8.979  -6.313 -14.318
   62    HG3  GLN   9           HG3      GLN   9   8.523  -4.633 -14.597
   63   HE21  GLN   9          HE21      GLN   9   8.088  -7.712 -15.636
   64   HE22  GLN   9          HE22      GLN   9   7.560  -7.405 -17.252
   65    H    LYS  10           H        LYS  10  12.704  -4.331 -12.385
   66    HA   LYS  10           HA       LYS  10  14.690  -3.215 -12.301
   67    HB2  LYS  10           HB2      LYS  10  15.408  -5.784 -13.686
   68    HB3  LYS  10           HB3      LYS  10  16.631  -4.563 -13.363
   69    HG2  LYS  10           HG2      LYS  10  16.666  -4.987 -11.150
   70    HG3  LYS  10           HG3      LYS  10  14.934  -5.320 -11.076
   71    HD2  LYS  10           HD2      LYS  10  16.701  -7.240 -12.516
   72    HD3  LYS  10           HD3      LYS  10  16.712  -7.239 -10.750
   73    HE2  LYS  10           HE2      LYS  10  14.106  -7.288 -12.206
   74    HE3  LYS  10           HE3      LYS  10  15.050  -8.771 -12.074
   75    HZ1  LYS  10           HZ1      LYS  10  15.117  -8.009  -9.562
   76    HZ2  LYS  10           HZ2      LYS  10  13.842  -8.932 -10.181
   77    HZ3  LYS  10           HZ3      LYS  10  13.664  -7.260  -9.996
   78    H    THR  11           H        THR  11  13.039  -2.233 -14.274
   79    HA   THR  11           HA       THR  11  14.836  -1.735 -16.550
   80    HB   THR  11           HB       THR  11  13.004  -1.302 -17.909
   81    HG1  THR  11           HG1      THR  11  11.487  -0.064 -17.128
   82   HG21  THR  11          HG21      THR  11  11.210  -3.049 -17.214
   83   HG22  THR  11          HG22      THR  11  12.336  -3.434 -15.913
   84   HG23  THR  11          HG23      THR  11  12.842  -3.597 -17.594
   85    H    CYS  12           H        CYS  12  14.141  -0.413 -13.677
   86    HA   CYS  12           HA       CYS  12  15.280   2.074 -14.211
   87    HB2  CYS  12           HB2      CYS  12  12.874   3.220 -13.553
   88    HB3  CYS  12           HB3      CYS  12  13.560   3.163 -15.174
   89    H    SER  13           H        SER  13  14.745   3.685 -12.329
   90    HA   SER  13           HA       SER  13  15.413   2.385  -9.924
   91    HB2  SER  13           HB2      SER  13  15.751   4.877 -10.709
   92    HB3  SER  13           HB3      SER  13  14.202   5.124  -9.904
   93    HG   SER  13           HG       SER  13  15.916   5.458  -8.459
   94    H    CYS  14           H        CYS  14  14.242   2.035  -8.034
   95    HA   CYS  14           HA       CYS  14  11.413   1.545  -8.454
   96    HB2  CYS  14           HB2      CYS  14  12.671   1.041  -5.809
   97    HB3  CYS  14           HB3      CYS  14  11.540   0.050  -6.725
   98    H    ARG  15           H        ARG  15  13.485   3.699  -6.639
   99    HA   ARG  15           HA       ARG  15  11.469   4.726  -4.916
  100    HB2  ARG  15           HB2      ARG  15  13.937   4.877  -4.504
  101    HB3  ARG  15           HB3      ARG  15  14.025   6.084  -5.780
  102    HG2  ARG  15           HG2      ARG  15  13.025   7.697  -4.519
  103    HG3  ARG  15           HG3      ARG  15  12.100   6.534  -3.567
  104    HD2  ARG  15           HD2      ARG  15  13.727   6.315  -2.032
  105    HD3  ARG  15           HD3      ARG  15  15.005   6.327  -3.246
  106    HE   ARG  15           HE       ARG  15  14.237   8.492  -1.637
  107   HH11  ARG  15          HH11      ARG  15  15.045   7.773  -4.946
  108   HH12  ARG  15          HH12      ARG  15  15.650   9.362  -5.281
  109   HH21  ARG  15          HH21      ARG  15  15.030  10.587  -2.065
  110   HH22  ARG  15          HH22      ARG  15  15.642  10.962  -3.641
  111    H    LEU  16           H        LEU  16  11.683   4.907  -8.166
  112    HA   LEU  16           HA       LEU  16  11.304   7.574  -8.847
  113    HB2  LEU  16           HB2      LEU  16  10.858   6.806 -10.913
  114    HB3  LEU  16           HB3      LEU  16  11.425   5.282 -10.232
  115    HG   LEU  16           HG       LEU  16   8.514   6.039 -10.313
  116   HD11  LEU  16          HD11      LEU  16  10.228   4.748 -12.403
  117   HD12  LEU  16          HD12      LEU  16   9.038   6.036 -12.580
  118   HD13  LEU  16          HD13      LEU  16   8.508   4.382 -12.275
  119   HD21  LEU  16          HD21      LEU  16   8.876   3.285 -10.479
  120   HD22  LEU  16          HD22      LEU  16   8.344   4.203  -9.070
  121   HD23  LEU  16          HD23      LEU  16  10.054   3.825  -9.283
  122    H    TYR  17           H        TYR  17   9.043   5.220  -7.563
  123    HA   TYR  17           HA       TYR  17   6.687   6.734  -8.024
  124    HB2  TYR  17           HB2      TYR  17   5.597   5.164  -6.537
  125    HB3  TYR  17           HB3      TYR  17   6.703   4.287  -7.589
  126    HD1  TYR  17           HD1      TYR  17   6.498   5.801  -4.188
  127    HD2  TYR  17           HD2      TYR  17   8.248   2.816  -6.663
  128    HE1  TYR  17           HE1      TYR  17   7.573   4.803  -2.214
  129    HE2  TYR  17           HE2      TYR  17   9.327   1.808  -4.696
  130    HH   TYR  17           HH       TYR  17   8.738   1.817  -2.069
  131    H    GLU  18           H        GLU  18   8.956   6.511  -5.336
  132    HA   GLU  18           HA       GLU  18   7.500   7.960  -3.436
  133    HB2  GLU  18           HB2      GLU  18  10.121   6.881  -3.675
  134    HB3  GLU  18           HB3      GLU  18  10.278   8.551  -3.152
  135    HG2  GLU  18           HG2      GLU  18   8.287   6.840  -1.770
  136    HG3  GLU  18           HG3      GLU  18   9.997   6.570  -1.437
  137    H    LEU  19           H        LEU  19   9.490   9.006  -6.121
  138    HA   LEU  19           HA       LEU  19   9.916  11.665  -5.462
  139    HB2  LEU  19           HB2      LEU  19   9.642  10.174  -8.024
  140    HB3  LEU  19           HB3      LEU  19   9.669  11.936  -8.073
  141    HG   LEU  19           HG       LEU  19  11.861  11.588  -6.634
  142   HD11  LEU  19          HD11      LEU  19  12.660   9.389  -8.221
  143   HD12  LEU  19          HD12      LEU  19  11.180   8.929  -7.380
  144   HD13  LEU  19          HD13      LEU  19  12.574   9.499  -6.463
  145   HD21  LEU  19          HD21      LEU  19  11.623  12.685  -8.857
  146   HD22  LEU  19          HD22      LEU  19  11.839  11.105  -9.609
  147   HD23  LEU  19          HD23      LEU  19  13.140  11.809  -8.647
  148    H    LEU  20           H        LEU  20   7.209  10.303  -7.340
  149    HA   LEU  20           HA       LEU  20   5.788  12.804  -7.326
  150    HB2  LEU  20           HB2      LEU  20   4.724  10.089  -8.069
  151    HB3  LEU  20           HB3      LEU  20   4.087  11.660  -8.550
  152    HG   LEU  20           HG       LEU  20   5.139  11.072 -10.480
  153   HD11  LEU  20          HD11      LEU  20   7.242  12.223 -10.684
  154   HD12  LEU  20          HD12      LEU  20   7.487  12.166  -8.939
  155   HD13  LEU  20          HD13      LEU  20   6.182  13.141  -9.614
  156   HD21  LEU  20          HD21      LEU  20   6.282   9.084  -8.895
  157   HD22  LEU  20          HD22      LEU  20   7.646   9.940  -9.615
  158   HD23  LEU  20          HD23      LEU  20   6.395   9.247 -10.647
  159    H    HIS  21           H        HIS  21   5.701   9.800  -5.519
  160    HA   HIS  21           HA       HIS  21   3.228  10.196  -4.222
  161    HB2  HIS  21           HB2      HIS  21   5.578   8.439  -3.867
  162    HB3  HIS  21           HB3      HIS  21   4.617   8.719  -2.418
  163    HD1  HIS  21           HD1      HIS  21   3.115   6.787  -2.120
  164    HD2  HIS  21           HD2      HIS  21   3.434   7.885  -6.114
  165    HE1  HIS  21           HE1      HIS  21   1.558   5.254  -3.365
  166    H    GLY  22           H        GLY  22   6.257  11.724  -3.850
  167    HA2  GLY  22           HA2      GLY  22   5.414  12.815  -1.236
  168    HA3  GLY  22           HA3      GLY  22   7.092  12.632  -1.724
  169    H    ALA  23           H        ALA  23   7.075  13.664  -4.263
  170    HA   ALA  23           HA       ALA  23   6.854  16.491  -3.690
  171    HB1  ALA  23           HB1      ALA  23   8.162  16.854  -5.597
  172    HB2  ALA  23           HB2      ALA  23   8.783  15.349  -4.918
  173    HB3  ALA  23           HB3      ALA  23   7.707  15.309  -6.314
  174    H    GLY  24           H        GLY  24   4.616  14.344  -4.543
  175    HA2  GLY  24           HA2      GLY  24   3.179  16.303  -6.221
  176    HA3  GLY  24           HA3      GLY  24   3.144  14.587  -6.596
  177    H    ASN  25           H        ASN  25   2.941  13.651  -3.905
  178    HA   ASN  25           HA       ASN  25   0.141  13.733  -3.580
  179    HB2  ASN  25           HB2      ASN  25   1.713  11.887  -2.834
  180    HB3  ASN  25           HB3      ASN  25   2.134  12.911  -1.465
  181   HD21  ASN  25          HD21      ASN  25   0.926  12.787   0.296
  182   HD22  ASN  25          HD22      ASN  25  -0.613  12.011   0.406
  183    H    HIS  26           H        HIS  26   2.731  15.639  -2.250
  184    HA   HIS  26           HA       HIS  26   1.393  16.727  -0.027
  185    HB2  HIS  26           HB2      HIS  26   3.912  16.998  -1.202
  186    HB3  HIS  26           HB3      HIS  26   3.213  18.613  -1.274
  187    HD1  HIS  26           HD1      HIS  26   4.315  15.986   1.168
  188    HD2  HIS  26           HD2      HIS  26   2.966  19.916   1.167
  189    HE1  HIS  26           HE1      HIS  26   4.713  16.834   3.502
  190    H    ALA  27           H        ALA  27   1.262  17.459  -3.426
  191    HA   ALA  27           HA       ALA  27   0.226  20.043  -3.377
  192    HB1  ALA  27           HB1      ALA  27   0.049  19.786  -5.590
  193    HB2  ALA  27           HB2      ALA  27   0.803  18.213  -5.328
  194    HB3  ALA  27           HB3      ALA  27  -0.953  18.343  -5.436
  195    H    ALA  28           H        ALA  28  -1.371  16.938  -2.934
  196    HA   ALA  28           HA       ALA  28  -4.002  18.150  -2.828
  197    HB1  ALA  28           HB1      ALA  28  -4.651  15.751  -2.179
  198    HB2  ALA  28           HB2      ALA  28  -4.054  16.039  -3.814
  199    HB3  ALA  28           HB3      ALA  28  -2.987  15.340  -2.596
  200    H    GLY  29           H        GLY  29  -1.543  17.001  -0.623
  201    HA2  GLY  29           HA2      GLY  29  -3.158  16.865   1.704
  202    HA3  GLY  29           HA3      GLY  29  -1.406  17.006   1.671
  203    H    ILE  30           H        ILE  30  -1.282  19.475   0.245
  204    HA   ILE  30           HA       ILE  30  -1.885  21.266   2.448
  205    HB   ILE  30           HB       ILE  30  -0.349  21.652  -0.116
  206   HG12  ILE  30          HG12      ILE  30   0.770  20.349   1.646
  207   HG13  ILE  30          HG13      ILE  30   1.567  21.898   1.392
  208   HG21  ILE  30          HG21      ILE  30  -1.515  23.631   1.682
  209   HG22  ILE  30          HG22      ILE  30   0.220  23.832   1.443
  210   HG23  ILE  30          HG23      ILE  30  -0.866  23.820   0.053
  211   HD11  ILE  30          HD11      ILE  30   0.050  22.681   3.355
  212   HD12  ILE  30          HD12      ILE  30  -0.048  20.955   3.707
  213   HD13  ILE  30          HD13      ILE  30   1.520  21.761   3.677
  214    H    LEU  31           H        LEU  31  -2.764  20.845  -0.948
  215    HA   LEU  31           HA       LEU  31  -4.253  23.172  -1.308
  216    HB2  LEU  31           HB2      LEU  31  -4.370  20.444  -2.532
  217    HB3  LEU  31           HB3      LEU  31  -5.560  21.669  -2.967
  218    HG   LEU  31           HG       LEU  31  -2.593  22.094  -3.257
  219   HD11  LEU  31          HD11      LEU  31  -3.805  20.147  -4.602
  220   HD12  LEU  31          HD12      LEU  31  -2.576  21.179  -5.333
  221   HD13  LEU  31          HD13      LEU  31  -4.285  21.508  -5.617
  222   HD21  LEU  31          HD21      LEU  31  -4.520  23.456  -5.000
  223   HD22  LEU  31          HD22      LEU  31  -3.103  24.085  -4.159
  224   HD23  LEU  31          HD23      LEU  31  -4.629  23.894  -3.295
  225    H    THR  32           H        THR  32  -5.092  20.137   0.225
  226    HA   THR  32           HA       THR  32  -7.876  20.931   0.539
  227    HB   THR  32           HB       THR  32  -7.402  18.582   0.027
  228    HG1  THR  32           HG1      THR  32  -9.239  19.068   1.320
  229   HG21  THR  32          HG21      THR  32  -6.338  18.034   2.734
  230   HG22  THR  32          HG22      THR  32  -5.228  18.790   1.591
  231   HG23  THR  32          HG23      THR  32  -5.985  17.247   1.197
  232    H    LEU  33           H        LEU  33  -4.984  20.439   2.504
  233    HA   LEU  33           HA       LEU  33  -5.767  20.501   5.048
  234    HB2  LEU  33           HB2      LEU  33  -3.436  21.058   3.809
  235    HB3  LEU  33           HB3      LEU  33  -3.834  22.648   4.457
  236    HG   LEU  33           HG       LEU  33  -4.180  21.187   6.673
  237   HD11  LEU  33          HD11      LEU  33  -3.577  19.064   6.181
  238   HD12  LEU  33          HD12      LEU  33  -1.966  19.699   6.515
  239   HD13  LEU  33          HD13      LEU  33  -2.527  19.550   4.850
  240   HD21  LEU  33          HD21      LEU  33  -1.707  21.720   7.129
  241   HD22  LEU  33          HD22      LEU  33  -2.794  23.058   6.759
  242   HD23  LEU  33          HD23      LEU  33  -1.710  22.432   5.516
  243    HN1  NH2  34           HN1      NH2  34  -5.981  24.503   4.687
  244    HN2  NH2  34           HN2      NH2  34  -5.419  23.649   3.295
  Start of MODEL    3
    1    H1   PCA   1           H1       PCA   1   3.957   0.976   4.043
    2    HA   PCA   1           HA       PCA   1   3.545   3.402   2.977
    3    HB2  PCA   1           HB2      PCA   1   5.649   4.440   2.547
    4    HB3  PCA   1           HB3      PCA   1   6.530   2.905   2.658
    5    HG2  PCA   1           HG2      PCA   1   5.138   4.406   4.937
    6    HG3  PCA   1           HG3      PCA   1   6.776   3.724   4.926
    7    HA   PRO   2           HA       PRO   2   2.653   1.023  -0.512
    8    HB2  PRO   2           HB2      PRO   2   2.759   2.919  -2.453
    9    HB3  PRO   2           HB3      PRO   2   1.460   2.840  -1.257
   10    HG2  PRO   2           HG2      PRO   2   3.892   4.585  -1.300
   11    HG3  PRO   2           HG3      PRO   2   2.219   5.007  -0.888
   12    HD2  PRO   2           HD2      PRO   2   4.110   4.545   0.994
   13    HD3  PRO   2           HD3      PRO   2   2.396   4.156   1.246
   14    H    LEU   3           H        LEU   3   3.574  -0.045  -2.254
   15    HA   LEU   3           HA       LEU   3   6.464   0.147  -2.435
   16    HB2  LEU   3           HB2      LEU   3   6.436  -1.992  -3.143
   17    HB3  LEU   3           HB3      LEU   3   4.838  -1.973  -2.399
   18    HG   LEU   3           HG       LEU   3   4.307  -1.179  -4.973
   19   HD11  LEU   3          HD11      LEU   3   6.688  -1.735  -5.532
   20   HD12  LEU   3          HD12      LEU   3   5.476  -2.598  -6.477
   21   HD13  LEU   3          HD13      LEU   3   6.312  -3.417  -5.157
   22   HD21  LEU   3          HD21      LEU   3   3.009  -3.040  -5.015
   23   HD22  LEU   3          HD22      LEU   3   3.403  -3.041  -3.295
   24   HD23  LEU   3          HD23      LEU   3   4.291  -4.086  -4.405
   25    HA   PRO   4           HA       PRO   4   6.725   2.325  -6.236
   26    HB2  PRO   4           HB2      PRO   4   8.825   1.094  -7.439
   27    HB3  PRO   4           HB3      PRO   4   9.010   2.166  -6.046
   28    HG2  PRO   4           HG2      PRO   4   8.941  -0.825  -6.137
   29    HG3  PRO   4           HG3      PRO   4  10.013   0.242  -5.212
   30    HD2  PRO   4           HD2      PRO   4   7.868  -0.984  -4.104
   31    HD3  PRO   4           HD3      PRO   4   8.437   0.611  -3.571
   32    H    ASP   5           H        ASP   5   5.749   2.273  -8.176
   33    HA   ASP   5           HA       ASP   5   4.552  -0.184  -9.078
   34    HB2  ASP   5           HB2      ASP   5   4.453   2.225 -10.807
   35    HB3  ASP   5           HB3      ASP   5   3.162   1.126 -10.328
   36    H    CYS   6           H        CYS   6   6.969   2.086 -10.347
   37    HA   CYS   6           HA       CYS   6   7.457   0.837 -12.788
   38    HB2  CYS   6           HB2      CYS   6   9.331   2.406 -11.007
   39    HB3  CYS   6           HB3      CYS   6   9.701   1.945 -12.666
   40    H    CYS   7           H        CYS   7   8.536   0.034  -9.570
   41    HA   CYS   7           HA       CYS   7  10.626  -1.736 -10.335
   42    HB2  CYS   7           HB2      CYS   7   9.742  -0.648  -7.955
   43    HB3  CYS   7           HB3      CYS   7   9.325  -2.351  -7.788
   44    H    ARG   8           H        ARG   8   7.182  -2.043 -10.019
   45    HA   ARG   8           HA       ARG   8   7.182  -4.922  -9.969
   46    HB2  ARG   8           HB2      ARG   8   5.333  -3.937  -8.894
   47    HB3  ARG   8           HB3      ARG   8   5.040  -2.827 -10.227
   48    HG2  ARG   8           HG2      ARG   8   3.741  -4.285 -11.304
   49    HG3  ARG   8           HG3      ARG   8   4.839  -5.631 -10.995
   50    HD2  ARG   8           HD2      ARG   8   3.251  -4.555  -8.723
   51    HD3  ARG   8           HD3      ARG   8   2.419  -5.532  -9.932
   52    HE   ARG   8           HE       ARG   8   4.132  -6.481  -7.898
   53   HH11  ARG   8          HH11      ARG   8   3.336  -6.993 -11.249
   54   HH12  ARG   8          HH12      ARG   8   3.793  -8.664 -11.237
   55   HH21  ARG   8          HH21      ARG   8   4.737  -8.680  -7.870
   56   HH22  ARG   8          HH22      ARG   8   4.590  -9.623  -9.315
   57    H    GLN   9           H        GLN   9   6.652  -2.393 -12.377
   58    HA   GLN   9           HA       GLN   9   6.315  -4.424 -14.458
   59    HB2  GLN   9           HB2      GLN   9   6.070  -1.427 -14.727
   60    HB3  GLN   9           HB3      GLN   9   5.542  -2.643 -15.882
   61    HG2  GLN   9           HG2      GLN   9   4.206  -3.341 -13.582
   62    HG3  GLN   9           HG3      GLN   9   4.193  -1.578 -13.543
   63   HE21  GLN   9          HE21      GLN   9   3.848  -4.108 -16.014
   64   HE22  GLN   9          HE22      GLN   9   2.425  -3.446 -16.735
   65    H    LYS  10           H        LYS  10   8.767  -2.738 -13.024
   66    HA   LYS  10           HA       LYS  10  10.904  -2.181 -13.591
   67    HB2  LYS  10           HB2      LYS  10  10.733  -4.205 -15.802
   68    HB3  LYS  10           HB3      LYS  10  12.097  -3.821 -14.760
   69    HG2  LYS  10           HG2      LYS  10  10.380  -4.707 -12.911
   70    HG3  LYS  10           HG3      LYS  10   9.808  -5.627 -14.305
   71    HD2  LYS  10           HD2      LYS  10  11.476  -7.063 -13.989
   72    HD3  LYS  10           HD3      LYS  10  12.620  -5.768 -14.350
   73    HE2  LYS  10           HE2      LYS  10  11.447  -6.235 -11.616
   74    HE3  LYS  10           HE3      LYS  10  12.968  -6.947 -12.153
   75    HZ1  LYS  10           HZ1      LYS  10  12.363  -4.205 -11.414
   76    HZ2  LYS  10           HZ2      LYS  10  13.385  -4.392 -12.749
   77    HZ3  LYS  10           HZ3      LYS  10  13.805  -5.076 -11.259
   78    H    THR  11           H        THR  11   9.059  -0.471 -14.713
   79    HA   THR  11           HA       THR  11  10.056  -0.010 -17.443
   80    HB   THR  11           HB       THR  11   8.091   1.104 -17.979
   81    HG1  THR  11           HG1      THR  11   6.664   1.922 -16.349
   82   HG21  THR  11          HG21      THR  11   7.526  -1.132 -16.067
   83   HG22  THR  11          HG22      THR  11   7.371  -1.099 -17.824
   84   HG23  THR  11          HG23      THR  11   6.199  -0.248 -16.819
   85    H    CYS  12           H        CYS  12  10.783   0.879 -14.415
   86    HA   CYS  12           HA       CYS  12  12.360   3.066 -15.117
   87    HB2  CYS  12           HB2      CYS  12  10.765   4.622 -13.516
   88    HB3  CYS  12           HB3      CYS  12  10.821   4.703 -15.274
   89    H    SER  13           H        SER  13  12.983   4.377 -13.039
   90    HA   SER  13           HA       SER  13  13.987   2.519 -11.173
   91    HB2  SER  13           HB2      SER  13  15.102   4.660 -11.656
   92    HB3  SER  13           HB3      SER  13  13.755   5.529 -10.919
   93    HG   SER  13           HG       SER  13  15.154   5.354  -9.285
   94    H    CYS  14           H        CYS  14  13.419   2.052  -9.069
   95    HA   CYS  14           HA       CYS  14  10.621   2.374  -8.439
   96    HB2  CYS  14           HB2      CYS  14  12.495   1.188  -6.459
   97    HB3  CYS  14           HB3      CYS  14  10.898   0.646  -6.962
   98    H    ARG  15           H        ARG  15  13.678   3.691  -7.374
   99    HA   ARG  15           HA       ARG  15  12.712   4.879  -4.976
  100    HB2  ARG  15           HB2      ARG  15  15.121   4.390  -5.492
  101    HB3  ARG  15           HB3      ARG  15  15.094   5.737  -6.623
  102    HG2  ARG  15           HG2      ARG  15  14.965   7.315  -4.954
  103    HG3  ARG  15           HG3      ARG  15  14.271   6.182  -3.793
  104    HD2  ARG  15           HD2      ARG  15  16.570   4.972  -4.033
  105    HD3  ARG  15           HD3      ARG  15  17.115   6.538  -4.633
  106    HE   ARG  15           HE       ARG  15  16.946   7.387  -2.504
  107   HH11  ARG  15          HH11      ARG  15  15.395   4.273  -2.653
  108   HH12  ARG  15          HH12      ARG  15  15.196   4.145  -0.936
  109   HH21  ARG  15          HH21      ARG  15  16.689   7.230  -0.243
  110   HH22  ARG  15          HH22      ARG  15  15.931   5.828   0.433
  111    H    LEU  16           H        LEU  16  11.853   5.494  -8.058
  112    HA   LEU  16           HA       LEU  16  12.006   8.247  -8.404
  113    HB2  LEU  16           HB2      LEU  16  10.698   7.918 -10.201
  114    HB3  LEU  16           HB3      LEU  16  11.012   6.219  -9.855
  115    HG   LEU  16           HG       LEU  16   8.580   7.662  -8.825
  116   HD11  LEU  16          HD11      LEU  16   7.360   7.090 -10.699
  117   HD12  LEU  16          HD12      LEU  16   8.527   5.875 -11.219
  118   HD13  LEU  16          HD13      LEU  16   8.899   7.590 -11.401
  119   HD21  LEU  16          HD21      LEU  16   8.071   4.963  -9.250
  120   HD22  LEU  16          HD22      LEU  16   8.344   5.759  -7.699
  121   HD23  LEU  16          HD23      LEU  16   9.691   5.008  -8.555
  122    H    TYR  17           H        TYR  17   9.781   6.325  -6.495
  123    HA   TYR  17           HA       TYR  17   7.898   8.380  -5.981
  124    HB2  TYR  17           HB2      TYR  17   7.049   6.919  -4.236
  125    HB3  TYR  17           HB3      TYR  17   7.417   5.970  -5.671
  126    HD1  TYR  17           HD1      TYR  17   8.891   7.000  -2.404
  127    HD2  TYR  17           HD2      TYR  17   8.734   4.064  -5.479
  128    HE1  TYR  17           HE1      TYR  17  10.306   5.513  -1.049
  129    HE2  TYR  17           HE2      TYR  17  10.147   2.568  -4.132
  130    HH   TYR  17           HH       TYR  17  10.565   2.410  -1.386
  131    H    GLU  18           H        GLU  18  10.830   7.309  -4.345
  132    HA   GLU  18           HA       GLU  18  10.562   8.788  -1.985
  133    HB2  GLU  18           HB2      GLU  18  12.579   7.213  -3.253
  134    HB3  GLU  18           HB3      GLU  18  13.311   8.715  -2.707
  135    HG2  GLU  18           HG2      GLU  18  11.598   7.046  -0.902
  136    HG3  GLU  18           HG3      GLU  18  13.321   6.736  -1.106
  137    H    LEU  19           H        LEU  19  11.671   9.703  -5.179
  138    HA   LEU  19           HA       LEU  19  12.970  12.087  -4.638
  139    HB2  LEU  19           HB2      LEU  19  11.383  11.077  -6.951
  140    HB3  LEU  19           HB3      LEU  19  11.901  12.761  -6.937
  141    HG   LEU  19           HG       LEU  19  13.498  11.573  -8.210
  142   HD11  LEU  19          HD11      LEU  19  15.468  12.139  -7.134
  143   HD12  LEU  19          HD12      LEU  19  14.855  11.678  -5.547
  144   HD13  LEU  19          HD13      LEU  19  14.277  13.154  -6.320
  145   HD21  LEU  19          HD21      LEU  19  14.258   9.679  -6.071
  146   HD22  LEU  19          HD22      LEU  19  14.251   9.473  -7.822
  147   HD23  LEU  19          HD23      LEU  19  12.743   9.358  -6.915
  148    H    LEU  20           H        LEU  20   9.513  11.643  -5.392
  149    HA   LEU  20           HA       LEU  20   8.898  14.372  -4.727
  150    HB2  LEU  20           HB2      LEU  20   6.886  12.170  -5.029
  151    HB3  LEU  20           HB3      LEU  20   6.696  13.890  -5.361
  152    HG   LEU  20           HG       LEU  20   8.721  12.812  -7.074
  153   HD11  LEU  20          HD11      LEU  20   6.105  11.321  -7.032
  154   HD12  LEU  20          HD12      LEU  20   7.726  10.656  -6.834
  155   HD13  LEU  20          HD13      LEU  20   7.227  11.311  -8.393
  156   HD21  LEU  20          HD21      LEU  20   7.654  14.755  -7.761
  157   HD22  LEU  20          HD22      LEU  20   6.050  14.133  -7.372
  158   HD23  LEU  20          HD23      LEU  20   6.916  13.520  -8.782
  159    H    HIS  21           H        HIS  21   8.704  11.250  -3.147
  160    HA   HIS  21           HA       HIS  21   7.052  12.002  -0.989
  161    HB2  HIS  21           HB2      HIS  21   8.840   9.742  -1.634
  162    HB3  HIS  21           HB3      HIS  21   8.586  10.033   0.084
  163    HD1  HIS  21           HD1      HIS  21   6.868   8.445   0.866
  164    HD2  HIS  21           HD2      HIS  21   5.948   9.985  -2.881
  165    HE1  HIS  21           HE1      HIS  21   4.626   7.473   0.272
  166    H    GLY  22           H        GLY  22  10.297  12.757  -1.738
  167    HA2  GLY  22           HA2      GLY  22  10.787  13.606   1.048
  168    HA3  GLY  22           HA3      GLY  22  12.052  13.210  -0.106
  169    H    ALA  23           H        ALA  23  11.002  14.627  -2.328
  170    HA   ALA  23           HA       ALA  23  11.828  17.302  -1.575
  171    HB1  ALA  23           HB1      ALA  23  10.978  16.868  -4.344
  172    HB2  ALA  23           HB2      ALA  23  12.478  17.543  -3.707
  173    HB3  ALA  23           HB3      ALA  23  12.267  15.795  -3.798
  174    H    GLY  24           H        GLY  24   8.988  15.788  -1.341
  175    HA2  GLY  24           HA2      GLY  24   7.352  17.838  -0.786
  176    HA3  GLY  24           HA3      GLY  24   7.286  17.810  -2.542
  177    H    ASN  25           H        ASN  25   6.588  15.992   0.384
  178    HA   ASN  25           HA       ASN  25   5.252  13.865  -1.013
  179    HB2  ASN  25           HB2      ASN  25   6.163  13.168   1.022
  180    HB3  ASN  25           HB3      ASN  25   5.607  14.605   1.875
  181   HD21  ASN  25          HD21      ASN  25   3.489  14.718   2.590
  182   HD22  ASN  25          HD22      ASN  25   2.471  13.325   2.682
  183    H    HIS  26           H        HIS  26   4.361  16.913   0.401
  184    HA   HIS  26           HA       HIS  26   1.596  16.487   0.698
  185    HB2  HIS  26           HB2      HIS  26   3.251  18.969   0.280
  186    HB3  HIS  26           HB3      HIS  26   1.498  19.040   0.442
  187    HD1  HIS  26           HD1      HIS  26   1.400  20.189   2.687
  188    HD2  HIS  26           HD2      HIS  26   3.749  16.763   2.726
  189    HE1  HIS  26           HE1      HIS  26   1.923  19.760   5.109
  190    H    ALA  27           H        ALA  27   3.569  17.203  -2.077
  191    HA   ALA  27           HA       ALA  27   1.667  18.219  -3.839
  192    HB1  ALA  27           HB1      ALA  27   3.988  18.260  -4.419
  193    HB2  ALA  27           HB2      ALA  27   4.081  16.498  -4.381
  194    HB3  ALA  27           HB3      ALA  27   3.136  17.304  -5.633
  195    H    ALA  28           H        ALA  28   2.390  14.891  -2.935
  196    HA   ALA  28           HA       ALA  28   0.507  13.812  -4.854
  197    HB1  ALA  28           HB1      ALA  28   2.316  12.597  -2.794
  198    HB2  ALA  28           HB2      ALA  28   1.083  11.639  -3.615
  199    HB3  ALA  28           HB3      ALA  28   2.357  12.424  -4.549
  200    H    GLY  29           H        GLY  29   0.613  14.608  -1.451
  201    HA2  GLY  29           HA2      GLY  29  -1.714  13.144  -0.696
  202    HA3  GLY  29           HA3      GLY  29  -0.959  14.438   0.223
  203    H    ILE  30           H        ILE  30  -1.170  16.390  -1.921
  204    HA   ILE  30           HA       ILE  30  -3.920  17.173  -1.443
  205    HB   ILE  30           HB       ILE  30  -1.574  18.575  -2.704
  206   HG12  ILE  30          HG12      ILE  30  -1.849  18.359  -0.179
  207   HG13  ILE  30          HG13      ILE  30  -1.656  19.993  -0.805
  208   HG21  ILE  30          HG21      ILE  30  -3.300  20.561  -2.624
  209   HG22  ILE  30          HG22      ILE  30  -3.202  19.493  -4.023
  210   HG23  ILE  30          HG23      ILE  30  -4.468  19.255  -2.820
  211   HD11  ILE  30          HD11      ILE  30  -3.581  19.189   0.939
  212   HD12  ILE  30          HD12      ILE  30  -3.668  20.625  -0.082
  213   HD13  ILE  30          HD13      ILE  30  -4.435  19.125  -0.603
  214    H    LEU  31           H        LEU  31  -1.835  16.467  -4.225
  215    HA   LEU  31           HA       LEU  31  -3.714  16.992  -6.237
  216    HB2  LEU  31           HB2      LEU  31  -2.229  16.015  -7.709
  217    HB3  LEU  31           HB3      LEU  31  -1.182  16.539  -6.391
  218    HG   LEU  31           HG       LEU  31  -1.346  14.149  -5.524
  219   HD11  LEU  31          HD11      LEU  31  -1.704  12.819  -7.939
  220   HD12  LEU  31          HD12      LEU  31  -3.036  13.972  -7.858
  221   HD13  LEU  31          HD13      LEU  31  -2.793  12.813  -6.551
  222   HD21  LEU  31          HD21      LEU  31  -0.028  14.407  -8.214
  223   HD22  LEU  31          HD22      LEU  31   0.495  13.458  -6.822
  224   HD23  LEU  31          HD23      LEU  31   0.584  15.219  -6.773
  225    H    THR  32           H        THR  32  -3.226  14.211  -4.186
  226    HA   THR  32           HA       THR  32  -5.017  12.530  -5.719
  227    HB   THR  32           HB       THR  32  -3.088  11.541  -4.532
  228    HG1  THR  32           HG1      THR  32  -4.483   9.927  -3.347
  229   HG21  THR  32          HG21      THR  32  -4.541  11.892  -1.941
  230   HG22  THR  32          HG22      THR  32  -3.466  13.164  -2.522
  231   HG23  THR  32          HG23      THR  32  -2.838  11.542  -2.231
  232    H    LEU  33           H        LEU  33  -5.045  14.217  -2.600
  233    HA   LEU  33           HA       LEU  33  -6.767  14.983  -1.320
  234    HB2  LEU  33           HB2      LEU  33  -7.726  15.189  -3.853
  235    HB3  LEU  33           HB3      LEU  33  -8.920  14.116  -3.123
  236    HG   LEU  33           HG       LEU  33  -8.171  16.808  -1.990
  237   HD11  LEU  33          HD11      LEU  33  -9.136  17.133  -4.184
  238   HD12  LEU  33          HD12      LEU  33 -10.299  17.592  -2.941
  239   HD13  LEU  33          HD13      LEU  33 -10.473  16.054  -3.785
  240   HD21  LEU  33          HD21      LEU  33 -10.459  16.457  -0.909
  241   HD22  LEU  33          HD22      LEU  33  -9.109  15.508  -0.283
  242   HD23  LEU  33          HD23      LEU  33 -10.281  14.764  -1.372
  243    HN1  NH2  34           HN1      NH2  34  -8.639  11.873  -2.589
  244    HN2  NH2  34           HN2      NH2  34  -7.120  11.257  -2.046
  Start of MODEL    4
    1    H1   PCA   1           H1       PCA   1   1.376  -2.505   1.031
    2    HA   PCA   1           HA       PCA   1   0.486  -0.263  -0.138
    3    HB2  PCA   1           HB2      PCA   1   2.064   1.490   0.218
    4    HB3  PCA   1           HB3      PCA   1   3.356   0.359   0.659
    5    HG2  PCA   1           HG2      PCA   1   0.817   0.979   2.257
    6    HG3  PCA   1           HG3      PCA   1   2.488   0.919   2.852
    7    HA   PRO   2           HA       PRO   2   1.798  -2.331  -3.691
    8    HB2  PRO   2           HB2      PRO   2   1.879  -0.283  -5.471
    9    HB3  PRO   2           HB3      PRO   2   0.368  -0.949  -4.842
   10    HG2  PRO   2           HG2      PRO   2   1.852   1.509  -3.996
   11    HG3  PRO   2           HG3      PRO   2   0.111   1.282  -4.238
   12    HD2  PRO   2           HD2      PRO   2   1.256   1.256  -1.784
   13    HD3  PRO   2           HD3      PRO   2  -0.172   0.279  -2.182
   14    H    LEU   3           H        LEU   3   3.728  -3.085  -4.279
   15    HA   LEU   3           HA       LEU   3   6.137  -1.677  -3.660
   16    HB2  LEU   3           HB2      LEU   3   7.056  -3.694  -3.787
   17    HB3  LEU   3           HB3      LEU   3   5.431  -4.316  -4.069
   18    HG   LEU   3           HG       LEU   3   7.239  -3.461  -6.316
   19   HD11  LEU   3          HD11      LEU   3   6.899  -6.303  -5.428
   20   HD12  LEU   3          HD12      LEU   3   8.196  -5.291  -4.793
   21   HD13  LEU   3          HD13      LEU   3   8.098  -5.616  -6.524
   22   HD21  LEU   3          HD21      LEU   3   5.773  -5.015  -7.585
   23   HD22  LEU   3          HD22      LEU   3   4.921  -3.623  -6.918
   24   HD23  LEU   3          HD23      LEU   3   4.782  -5.199  -6.138
   25    HA   PRO   4           HA       PRO   4   7.133   0.311  -7.443
   26    HB2  PRO   4           HB2      PRO   4   9.747  -0.312  -7.828
   27    HB3  PRO   4           HB3      PRO   4   9.200   0.799  -6.567
   28    HG2  PRO   4           HG2      PRO   4   9.938  -2.094  -6.352
   29    HG3  PRO   4           HG3      PRO   4  10.350  -0.751  -5.270
   30    HD2  PRO   4           HD2      PRO   4   8.358  -2.503  -4.726
   31    HD3  PRO   4           HD3      PRO   4   8.298  -0.802  -4.221
   32    H    ASP   5           H        ASP   5   6.866  -0.052  -9.568
   33    HA   ASP   5           HA       ASP   5   6.686  -2.763 -10.516
   34    HB2  ASP   5           HB2      ASP   5   6.537  -0.534 -12.461
   35    HB3  ASP   5           HB3      ASP   5   5.466  -1.915 -12.242
   36    H    CYS   6           H        CYS   6   8.722   0.054 -11.241
   37    HA   CYS   6           HA       CYS   6  10.262  -1.077 -13.271
   38    HB2  CYS   6           HB2      CYS   6  11.023   0.996 -11.204
   39    HB3  CYS   6           HB3      CYS   6  11.979   0.622 -12.633
   40    H    CYS   7           H        CYS   7  10.425  -1.459  -9.810
   41    HA   CYS   7           HA       CYS   7  13.032  -2.599  -9.713
   42    HB2  CYS   7           HB2      CYS   7  11.208  -1.714  -7.842
   43    HB3  CYS   7           HB3      CYS   7  11.192  -3.459  -7.606
   44    H    ARG   8           H        ARG   8   9.861  -3.835 -10.391
   45    HA   ARG   8           HA       ARG   8  10.570  -6.598 -10.001
   46    HB2  ARG   8           HB2      ARG   8   8.161  -5.102 -10.887
   47    HB3  ARG   8           HB3      ARG   8   8.313  -6.766 -11.435
   48    HG2  ARG   8           HG2      ARG   8   8.849  -7.119  -8.839
   49    HG3  ARG   8           HG3      ARG   8   7.812  -5.695  -8.732
   50    HD2  ARG   8           HD2      ARG   8   6.177  -7.257  -8.690
   51    HD3  ARG   8           HD3      ARG   8   6.365  -7.165 -10.440
   52    HE   ARG   8           HE       ARG   8   8.125  -9.085  -9.767
   53   HH11  ARG   8          HH11      ARG   8   4.772  -8.583  -8.975
   54   HH12  ARG   8          HH12      ARG   8   4.418 -10.273  -8.834
   55   HH21  ARG   8          HH21      ARG   8   7.671 -11.313  -9.583
   56   HH22  ARG   8          HH22      ARG   8   6.067 -11.825  -9.179
   57    H    GLN   9           H        GLN   9  10.205  -4.401 -12.742
   58    HA   GLN   9           HA       GLN   9  11.071  -6.516 -14.572
   59    HB2  GLN   9           HB2      GLN   9  10.178  -3.718 -15.269
   60    HB3  GLN   9           HB3      GLN   9  10.349  -5.086 -16.361
   61    HG2  GLN   9           HG2      GLN   9   8.583  -6.016 -14.472
   62    HG3  GLN   9           HG3      GLN   9   8.127  -4.323 -14.654
   63   HE21  GLN   9          HE21      GLN   9   7.731  -3.562 -16.852
   64   HE22  GLN   9          HE22      GLN   9   7.046  -4.655 -18.001
   65    H    LYS  10           H        LYS  10  12.431  -4.166 -12.691
   66    HA   LYS  10           HA       LYS  10  14.420  -3.054 -12.668
   67    HB2  LYS  10           HB2      LYS  10  14.951  -5.631 -14.048
   68    HB3  LYS  10           HB3      LYS  10  16.212  -4.407 -14.134
   69    HG2  LYS  10           HG2      LYS  10  15.399  -4.487 -11.454
   70    HG3  LYS  10           HG3      LYS  10  15.530  -6.167 -11.980
   71    HD2  LYS  10           HD2      LYS  10  17.787  -5.963 -12.486
   72    HD3  LYS  10           HD3      LYS  10  17.699  -4.206 -12.626
   73    HE2  LYS  10           HE2      LYS  10  16.938  -5.050  -9.982
   74    HE3  LYS  10           HE3      LYS  10  18.517  -5.709 -10.407
   75    HZ1  LYS  10           HZ1      LYS  10  17.736  -2.973  -9.900
   76    HZ2  LYS  10           HZ2      LYS  10  18.738  -3.173 -11.247
   77    HZ3  LYS  10           HZ3      LYS  10  19.245  -3.718  -9.727
   78    H    THR  11           H        THR  11  12.650  -1.964 -14.475
   79    HA   THR  11           HA       THR  11  14.303  -1.331 -16.825
   80    HB   THR  11           HB       THR  11  12.389  -0.822 -18.041
   81    HG1  THR  11           HG1      THR  11  10.797   0.242 -17.149
   82   HG21  THR  11          HG21      THR  11  10.645  -2.621 -17.339
   83   HG22  THR  11          HG22      THR  11  11.859  -3.079 -16.144
   84   HG23  THR  11          HG23      THR  11  12.249  -3.132 -17.863
   85    H    CYS  12           H        CYS  12  13.779  -0.177 -13.843
   86    HA   CYS  12           HA       CYS  12  14.882   2.342 -14.305
   87    HB2  CYS  12           HB2      CYS  12  12.518   3.430 -13.426
   88    HB3  CYS  12           HB3      CYS  12  13.103   3.480 -15.086
   89    H    SER  13           H        SER  13  14.467   3.839 -12.303
   90    HA   SER  13           HA       SER  13  15.283   2.396 -10.024
   91    HB2  SER  13           HB2      SER  13  14.108   5.138  -9.768
   92    HB3  SER  13           HB3      SER  13  15.532   4.453  -8.985
   93    HG   SER  13           HG       SER  13  15.728   6.047 -10.864
   94    H    CYS  14           H        CYS  14  14.228   1.842  -8.144
   95    HA   CYS  14           HA       CYS  14  11.393   1.384  -8.392
   96    HB2  CYS  14           HB2      CYS  14  12.799   0.856  -5.826
   97    HB3  CYS  14           HB3      CYS  14  11.630  -0.134  -6.692
   98    H    ARG  15           H        ARG  15  13.507   3.549  -6.641
   99    HA   ARG  15           HA       ARG  15  11.559   4.500  -4.800
  100    HB2  ARG  15           HB2      ARG  15  14.066   4.692  -4.552
  101    HB3  ARG  15           HB3      ARG  15  14.015   5.971  -5.757
  102    HG2  ARG  15           HG2      ARG  15  12.777   7.393  -4.344
  103    HG3  ARG  15           HG3      ARG  15  12.410   6.080  -3.223
  104    HD2  ARG  15           HD2      ARG  15  14.362   7.874  -2.810
  105    HD3  ARG  15           HD3      ARG  15  14.414   6.224  -2.191
  106    HE   ARG  15           HE       ARG  15  16.166   5.807  -3.592
  107   HH11  ARG  15          HH11      ARG  15  14.478   8.635  -4.722
  108   HH12  ARG  15          HH12      ARG  15  15.639   8.993  -5.958
  109   HH21  ARG  15          HH21      ARG  15  17.701   6.269  -5.215
  110   HH22  ARG  15          HH22      ARG  15  17.471   7.647  -6.238
  111    H    LEU  16           H        LEU  16  11.596   4.740  -8.050
  112    HA   LEU  16           HA       LEU  16  11.133   7.410  -8.666
  113    HB2  LEU  16           HB2      LEU  16  10.594   6.663 -10.716
  114    HB3  LEU  16           HB3      LEU  16  11.213   5.136 -10.089
  115    HG   LEU  16           HG       LEU  16   8.293   5.860 -10.007
  116   HD11  LEU  16          HD11      LEU  16   9.934   4.714 -12.218
  117   HD12  LEU  16          HD12      LEU  16   8.602   5.867 -12.285
  118   HD13  LEU  16          HD13      LEU  16   8.276   4.160 -11.985
  119   HD21  LEU  16          HD21      LEU  16   9.911   3.646  -9.097
  120   HD22  LEU  16          HD22      LEU  16   8.668   3.114 -10.230
  121   HD23  LEU  16          HD23      LEU  16   8.215   4.009  -8.778
  122    H    TYR  17           H        TYR  17   8.993   5.000  -7.285
  123    HA   TYR  17           HA       TYR  17   6.581   6.455  -7.603
  124    HB2  TYR  17           HB2      TYR  17   5.627   4.872  -6.028
  125    HB3  TYR  17           HB3      TYR  17   6.668   4.019  -7.163
  126    HD1  TYR  17           HD1      TYR  17   6.701   5.532  -3.755
  127    HD2  TYR  17           HD2      TYR  17   8.299   2.571  -6.358
  128    HE1  TYR  17           HE1      TYR  17   7.941   4.553  -1.870
  129    HE2  TYR  17           HE2      TYR  17   9.542   1.582  -4.481
  130    HH   TYR  17           HH       TYR  17  10.133   3.103  -1.664
  131    H    GLU  18           H        GLU  18   9.013   6.311  -5.055
  132    HA   GLU  18           HA       GLU  18   7.635   7.730  -3.076
  133    HB2  GLU  18           HB2      GLU  18  10.422   6.983  -3.619
  134    HB3  GLU  18           HB3      GLU  18  10.248   8.457  -2.677
  135    HG2  GLU  18           HG2      GLU  18   8.462   6.587  -1.575
  136    HG3  GLU  18           HG3      GLU  18   9.984   5.740  -1.845
  137    H    LEU  19           H        LEU  19   9.426   8.817  -5.882
  138    HA   LEU  19           HA       LEU  19   9.822  11.487  -5.270
  139    HB2  LEU  19           HB2      LEU  19   9.370   9.995  -7.811
  140    HB3  LEU  19           HB3      LEU  19   9.403  11.756  -7.846
  141    HG   LEU  19           HG       LEU  19  11.572  11.029  -8.438
  142   HD11  LEU  19          HD11      LEU  19  12.720  12.384  -7.067
  143   HD12  LEU  19          HD12      LEU  19  12.228  11.509  -5.617
  144   HD13  LEU  19          HD13      LEU  19  11.142  12.693  -6.344
  145   HD21  LEU  19          HD21      LEU  19  11.043   8.734  -7.171
  146   HD22  LEU  19          HD22      LEU  19  12.074   9.495  -5.959
  147   HD23  LEU  19          HD23      LEU  19  12.678   9.241  -7.597
  148    H    LEU  20           H        LEU  20   7.023  10.059  -6.955
  149    HA   LEU  20           HA       LEU  20   5.545  12.522  -6.834
  150    HB2  LEU  20           HB2      LEU  20   4.437   9.805  -7.477
  151    HB3  LEU  20           HB3      LEU  20   3.823  11.378  -7.981
  152    HG   LEU  20           HG       LEU  20   6.452  11.133  -9.003
  153   HD11  LEU  20          HD11      LEU  20   4.767   8.786  -9.825
  154   HD12  LEU  20          HD12      LEU  20   6.019   8.669  -8.590
  155   HD13  LEU  20          HD13      LEU  20   6.447   9.131 -10.237
  156   HD21  LEU  20          HD21      LEU  20   3.954  10.752 -10.609
  157   HD22  LEU  20          HD22      LEU  20   5.428  11.625 -11.027
  158   HD23  LEU  20          HD23      LEU  20   4.306  12.303  -9.846
  159    H    HIS  21           H        HIS  21   5.670   9.524  -5.023
  160    HA   HIS  21           HA       HIS  21   3.284   9.847  -3.556
  161    HB2  HIS  21           HB2      HIS  21   5.705   8.167  -3.368
  162    HB3  HIS  21           HB3      HIS  21   4.855   8.431  -1.849
  163    HD1  HIS  21           HD1      HIS  21   3.448   6.451  -1.422
  164    HD2  HIS  21           HD2      HIS  21   3.400   7.536  -5.432
  165    HE1  HIS  21           HE1      HIS  21   1.843   4.863  -2.529
  166    H    GLY  22           H        GLY  22   6.290  11.462  -3.391
  167    HA2  GLY  22           HA2      GLY  22   5.555  12.583  -0.756
  168    HA3  GLY  22           HA3      GLY  22   7.216  12.383  -1.293
  169    H    ALA  23           H        ALA  23   7.347  13.422  -3.724
  170    HA   ALA  23           HA       ALA  23   6.955  16.244  -3.233
  171    HB1  ALA  23           HB1      ALA  23   7.958  15.988  -5.799
  172    HB2  ALA  23           HB2      ALA  23   8.894  16.252  -4.328
  173    HB3  ALA  23           HB3      ALA  23   8.646  14.614  -4.932
  174    H    GLY  24           H        GLY  24   4.867  14.012  -4.190
  175    HA2  GLY  24           HA2      GLY  24   3.514  15.862  -6.051
  176    HA3  GLY  24           HA3      GLY  24   3.555  14.132  -6.357
  177    H    ASN  25           H        ASN  25   3.255  13.527  -3.471
  178    HA   ASN  25           HA       ASN  25   0.384  13.525  -3.422
  179    HB2  ASN  25           HB2      ASN  25   1.674  11.595  -2.612
  180    HB3  ASN  25           HB3      ASN  25   2.372  12.592  -1.340
  181   HD21  ASN  25          HD21      ASN  25   1.541  11.955   0.512
  182   HD22  ASN  25          HD22      ASN  25  -0.134  11.673   0.829
  183    H    HIS  26           H        HIS  26   2.957  15.163  -1.648
  184    HA   HIS  26           HA       HIS  26   1.347  16.373   0.316
  185    HB2  HIS  26           HB2      HIS  26   4.067  16.893  -0.803
  186    HB3  HIS  26           HB3      HIS  26   3.324  18.131   0.205
  187    HD1  HIS  26           HD1      HIS  26   3.814  14.358   0.486
  188    HD2  HIS  26           HD2      HIS  26   4.055  17.816   2.777
  189    HE1  HIS  26           HE1      HIS  26   4.560  13.604   2.766
  190    H    ALA  27           H        ALA  27   1.990  17.180  -3.006
  191    HA   ALA  27           HA       ALA  27   1.294  19.876  -3.046
  192    HB1  ALA  27           HB1      ALA  27   0.843  19.580  -5.410
  193    HB2  ALA  27           HB2      ALA  27   2.288  18.680  -4.949
  194    HB3  ALA  27           HB3      ALA  27   0.763  17.831  -5.197
  195    H    ALA  28           H        ALA  28  -0.737  16.997  -3.098
  196    HA   ALA  28           HA       ALA  28  -3.163  18.542  -3.442
  197    HB1  ALA  28           HB1      ALA  28  -2.468  15.954  -4.039
  198    HB2  ALA  28           HB2      ALA  28  -3.495  15.766  -2.617
  199    HB3  ALA  28           HB3      ALA  28  -4.107  16.608  -4.041
  200    H    GLY  29           H        GLY  29  -1.353  17.050  -0.850
  201    HA2  GLY  29           HA2      GLY  29  -3.435  17.134   1.097
  202    HA3  GLY  29           HA3      GLY  29  -1.718  16.938   1.421
  203    H    ILE  30           H        ILE  30  -0.951  19.402   0.086
  204    HA   ILE  30           HA       ILE  30  -1.522  21.210   2.279
  205    HB   ILE  30           HB       ILE  30   0.258  21.594  -0.131
  206   HG12  ILE  30          HG12      ILE  30   1.006  19.764   1.330
  207   HG13  ILE  30          HG13      ILE  30   2.103  21.138   1.420
  208   HG21  ILE  30          HG21      ILE  30   0.284  23.735   0.472
  209   HG22  ILE  30          HG22      ILE  30  -0.641  23.400   1.935
  210   HG23  ILE  30          HG23      ILE  30   1.114  23.232   1.944
  211   HD11  ILE  30          HD11      ILE  30   1.933  20.918   3.622
  212   HD12  ILE  30          HD12      ILE  30   0.329  21.632   3.454
  213   HD13  ILE  30          HD13      ILE  30   0.513  19.879   3.494
  214    H    LEU  31           H        LEU  31  -1.974  21.122  -1.237
  215    HA   LEU  31           HA       LEU  31  -3.136  23.657  -1.523
  216    HB2  LEU  31           HB2      LEU  31  -3.669  23.034  -3.680
  217    HB3  LEU  31           HB3      LEU  31  -2.300  21.990  -3.303
  218    HG   LEU  31           HG       LEU  31  -4.026  20.202  -2.737
  219   HD11  LEU  31          HD11      LEU  31  -6.156  20.824  -2.720
  220   HD12  LEU  31          HD12      LEU  31  -6.056  21.006  -4.471
  221   HD13  LEU  31          HD13      LEU  31  -5.764  22.394  -3.423
  222   HD21  LEU  31          HD21      LEU  31  -4.098  19.442  -4.967
  223   HD22  LEU  31          HD22      LEU  31  -2.617  20.391  -4.837
  224   HD23  LEU  31          HD23      LEU  31  -4.043  21.083  -5.612
  225    H    THR  32           H        THR  32  -4.464  20.593  -0.507
  226    HA   THR  32           HA       THR  32  -7.204  21.513  -0.668
  227    HB   THR  32           HB       THR  32  -6.657  19.138  -1.080
  228    HG1  THR  32           HG1      THR  32  -8.723  19.311  -0.448
  229   HG21  THR  32          HG21      THR  32  -6.246  18.757   1.860
  230   HG22  THR  32          HG22      THR  32  -4.881  19.192   0.831
  231   HG23  THR  32          HG23      THR  32  -5.784  17.709   0.520
  232    H    LEU  33           H        LEU  33  -4.842  20.779   1.873
  233    HA   LEU  33           HA       LEU  33  -4.659  21.525   4.018
  234    HB2  LEU  33           HB2      LEU  33  -5.872  23.607   2.696
  235    HB3  LEU  33           HB3      LEU  33  -6.978  23.295   4.032
  236    HG   LEU  33           HG       LEU  33  -4.942  23.487   5.551
  237   HD11  LEU  33          HD11      LEU  33  -3.118  23.302   4.104
  238   HD12  LEU  33          HD12      LEU  33  -3.178  25.016   4.510
  239   HD13  LEU  33          HD13      LEU  33  -3.795  24.457   2.955
  240   HD21  LEU  33          HD21      LEU  33  -4.989  26.006   5.403
  241   HD22  LEU  33          HD22      LEU  33  -6.557  25.216   5.578
  242   HD23  LEU  33          HD23      LEU  33  -6.043  25.818   4.001
  243    HN1  NH2  34           HN1      NH2  34  -7.502  21.485   6.115
  244    HN2  NH2  34           HN2      NH2  34  -5.872  20.926   6.233
  Start of MODEL    5
    1    H1   PCA   1           H1       PCA   1   4.450   3.075   4.728
    2    HA   PCA   1           HA       PCA   1   7.067   2.694   4.285
    3    HB2  PCA   1           HB2      PCA   1   7.666   0.487   4.964
    4    HB3  PCA   1           HB3      PCA   1   5.981  -0.064   4.974
    5    HG2  PCA   1           HG2      PCA   1   7.280   1.944   6.889
    6    HG3  PCA   1           HG3      PCA   1   6.261   0.551   7.302
    7    HA   PRO   2           HA       PRO   2   4.063   2.496   0.808
    8    HB2  PRO   2           HB2      PRO   2   4.890   4.831  -0.303
    9    HB3  PRO   2           HB3      PRO   2   3.645   4.751   0.950
   10    HG2  PRO   2           HG2      PRO   2   6.554   5.407   1.210
   11    HG3  PRO   2           HG3      PRO   2   5.158   6.189   1.974
   12    HD2  PRO   2           HD2      PRO   2   6.721   4.403   3.277
   13    HD3  PRO   2           HD3      PRO   2   4.984   4.570   3.605
   14    H    LEU   3           H        LEU   3   4.679   1.275  -0.852
   15    HA   LEU   3           HA       LEU   3   7.488   1.178  -1.616
   16    HB2  LEU   3           HB2      LEU   3   7.101  -0.913  -2.361
   17    HB3  LEU   3           HB3      LEU   3   5.711  -0.789  -1.284
   18    HG   LEU   3           HG       LEU   3   4.735   0.176  -3.672
   19   HD11  LEU   3          HD11      LEU   3   6.373  -2.265  -4.312
   20   HD12  LEU   3          HD12      LEU   3   6.871  -0.625  -4.725
   21   HD13  LEU   3          HD13      LEU   3   5.391  -1.296  -5.411
   22   HD21  LEU   3          HD21      LEU   3   4.012  -2.450  -3.714
   23   HD22  LEU   3          HD22      LEU   3   3.242  -1.204  -2.730
   24   HD23  LEU   3          HD23      LEU   3   4.490  -2.236  -2.029
   25    HA   PRO   4           HA       PRO   4   7.140   3.500  -5.323
   26    HB2  PRO   4           HB2      PRO   4   8.798   2.142  -6.990
   27    HB3  PRO   4           HB3      PRO   4   9.384   3.125  -5.643
   28    HG2  PRO   4           HG2      PRO   4   9.001   0.160  -5.797
   29    HG3  PRO   4           HG3      PRO   4  10.348   1.079  -5.101
   30    HD2  PRO   4           HD2      PRO   4   8.380   0.002  -3.584
   31    HD3  PRO   4           HD3      PRO   4   9.207   1.511  -3.145
   32    H    ASP   5           H        ASP   5   6.012   3.606  -7.231
   33    HA   ASP   5           HA       ASP   5   4.297   1.346  -7.831
   34    HB2  ASP   5           HB2      ASP   5   4.158   3.779  -9.513
   35    HB3  ASP   5           HB3      ASP   5   2.863   2.849  -8.763
   36    H    CYS   6           H        CYS   6   6.678   3.357  -9.535
   37    HA   CYS   6           HA       CYS   6   6.549   2.121 -12.025
   38    HB2  CYS   6           HB2      CYS   6   8.839   3.476 -10.599
   39    HB3  CYS   6           HB3      CYS   6   8.951   2.916 -12.265
   40    H    CYS   7           H        CYS   7   8.132   1.122  -9.079
   41    HA   CYS   7           HA       CYS   7   9.811  -0.859 -10.227
   42    HB2  CYS   7           HB2      CYS   7   9.498   0.247  -7.713
   43    HB3  CYS   7           HB3      CYS   7   8.930  -1.405  -7.493
   44    H    ARG   8           H        ARG   8   6.475  -0.797  -9.229
   45    HA   ARG   8           HA       ARG   8   6.160  -3.660  -9.266
   46    HB2  ARG   8           HB2      ARG   8   4.711  -2.527  -7.784
   47    HB3  ARG   8           HB3      ARG   8   4.249  -1.350  -9.007
   48    HG2  ARG   8           HG2      ARG   8   2.527  -2.594  -9.625
   49    HG3  ARG   8           HG3      ARG   8   3.575  -3.987  -9.898
   50    HD2  ARG   8           HD2      ARG   8   3.235  -4.827  -7.779
   51    HD3  ARG   8           HD3      ARG   8   2.818  -3.250  -7.109
   52    HE   ARG   8           HE       ARG   8   0.639  -3.706  -7.579
   53   HH11  ARG   8          HH11      ARG   8   2.643  -5.671  -9.639
   54   HH12  ARG   8          HH12      ARG   8   1.309  -6.527 -10.339
   55   HH21  ARG   8          HH21      ARG   8  -1.125  -4.826  -8.494
   56   HH22  ARG   8          HH22      ARG   8  -0.834  -6.045  -9.688
   57    H    GLN   9           H        GLN   9   5.569  -0.975 -11.455
   58    HA   GLN   9           HA       GLN   9   4.461  -2.803 -13.455
   59    HB2  GLN   9           HB2      GLN   9   4.663   0.213 -13.450
   60    HB3  GLN   9           HB3      GLN   9   3.906  -0.749 -14.713
   61    HG2  GLN   9           HG2      GLN   9   2.709  -1.563 -12.320
   62    HG3  GLN   9           HG3      GLN   9   2.816   0.194 -12.234
   63   HE21  GLN   9          HE21      GLN   9   0.445  -0.048 -12.285
   64   HE22  GLN   9          HE22      GLN   9  -0.334  -0.119 -13.825
   65    H    LYS  10           H        LYS  10   7.407  -1.567 -12.535
   66    HA   LYS  10           HA       LYS  10   9.455  -1.386 -13.515
   67    HB2  LYS  10           HB2      LYS  10   8.133  -3.508 -15.189
   68    HB3  LYS  10           HB3      LYS  10   9.789  -3.001 -15.496
   69    HG2  LYS  10           HG2      LYS  10   9.035  -3.791 -12.730
   70    HG3  LYS  10           HG3      LYS  10   9.251  -5.051 -13.947
   71    HD2  LYS  10           HD2      LYS  10  11.468  -3.665 -14.428
   72    HD3  LYS  10           HD3      LYS  10  11.241  -3.205 -12.739
   73    HE2  LYS  10           HE2      LYS  10  11.259  -5.506 -12.053
   74    HE3  LYS  10           HE3      LYS  10  11.271  -6.052 -13.729
   75    HZ1  LYS  10           HZ1      LYS  10  13.437  -4.326 -12.733
   76    HZ2  LYS  10           HZ2      LYS  10  13.459  -5.441 -14.004
   77    HZ3  LYS  10           HZ3      LYS  10  13.466  -5.985 -12.403
   78    H    THR  11           H        THR  11   7.745   0.662 -14.218
   79    HA   THR  11           HA       THR  11   8.260   1.082 -17.085
   80    HB   THR  11           HB       THR  11   6.153   1.803 -17.169
   81    HG1  THR  11           HG1      THR  11   6.785   3.886 -17.031
   82   HG21  THR  11          HG21      THR  11   4.673   1.761 -15.322
   83   HG22  THR  11          HG22      THR  11   5.982   2.032 -14.171
   84   HG23  THR  11          HG23      THR  11   5.856   0.490 -15.017
   85    H    CYS  12           H        CYS  12   9.538   1.800 -14.130
   86    HA   CYS  12           HA       CYS  12  11.361   3.695 -15.126
   87    HB2  CYS  12           HB2      CYS  12  10.283   5.374 -13.192
   88    HB3  CYS  12           HB3      CYS  12  10.188   5.596 -14.936
   89    H    SER  13           H        SER  13  12.644   4.724 -13.262
   90    HA   SER  13           HA       SER  13  13.555   2.658 -11.579
   91    HB2  SER  13           HB2      SER  13  14.074   5.625 -11.660
   92    HB3  SER  13           HB3      SER  13  14.807   4.594 -10.431
   93    HG   SER  13           HG       SER  13  15.152   4.515 -13.234
   94    H    CYS  14           H        CYS  14  13.425   2.397  -9.334
   95    HA   CYS  14           HA       CYS  14  10.930   3.371  -8.185
   96    HB2  CYS  14           HB2      CYS  14  12.592   1.600  -6.538
   97    HB3  CYS  14           HB3      CYS  14  10.894   1.462  -6.981
   98    H    ARG  15           H        ARG  15  13.570   4.914  -8.486
   99    HA   ARG  15           HA       ARG  15  13.996   5.600  -5.662
  100    HB2  ARG  15           HB2      ARG  15  15.659   6.501  -8.012
  101    HB3  ARG  15           HB3      ARG  15  16.083   6.561  -6.306
  102    HG2  ARG  15           HG2      ARG  15  15.614   3.891  -6.708
  103    HG3  ARG  15           HG3      ARG  15  16.357   4.393  -8.228
  104    HD2  ARG  15           HD2      ARG  15  18.324   5.060  -7.192
  105    HD3  ARG  15           HD3      ARG  15  17.552   5.227  -5.616
  106    HE   ARG  15           HE       ARG  15  17.540   2.528  -6.550
  107   HH11  ARG  15          HH11      ARG  15  19.491   4.964  -5.007
  108   HH12  ARG  15          HH12      ARG  15  20.505   3.820  -4.191
  109   HH21  ARG  15          HH21      ARG  15  18.867   1.013  -5.480
  110   HH22  ARG  15          HH22      ARG  15  20.150   1.573  -4.461
  111    H    LEU  16           H        LEU  16  12.436   6.663  -8.464
  112    HA   LEU  16           HA       LEU  16  12.633   9.482  -8.027
  113    HB2  LEU  16           HB2      LEU  16  10.455   9.304  -9.547
  114    HB3  LEU  16           HB3      LEU  16  12.088   9.157 -10.193
  115    HG   LEU  16           HG       LEU  16  11.893   6.754 -10.262
  116   HD11  LEU  16          HD11      LEU  16  10.643   5.978  -8.531
  117   HD12  LEU  16          HD12      LEU  16   9.413   5.936  -9.793
  118   HD13  LEU  16          HD13      LEU  16   9.459   7.280  -8.652
  119   HD21  LEU  16          HD21      LEU  16   9.757   8.404 -11.529
  120   HD22  LEU  16          HD22      LEU  16   9.725   6.652 -11.728
  121   HD23  LEU  16          HD23      LEU  16  11.129   7.575 -12.266
  122    H    TYR  17           H        TYR  17  10.546   6.939  -6.905
  123    HA   TYR  17           HA       TYR  17   8.393   8.572  -6.038
  124    HB2  TYR  17           HB2      TYR  17   7.477   6.643  -5.148
  125    HB3  TYR  17           HB3      TYR  17   8.541   5.975  -6.380
  126    HD1  TYR  17           HD1      TYR  17  11.104   5.740  -5.350
  127    HD2  TYR  17           HD2      TYR  17   7.448   5.431  -3.196
  128    HE1  TYR  17           HE1      TYR  17  12.233   4.377  -3.642
  129    HE2  TYR  17           HE2      TYR  17   8.567   4.068  -1.481
  130    HH   TYR  17           HH       TYR  17  11.515   3.956  -0.857
  131    H    GLU  18           H        GLU  18  11.363   7.442  -4.523
  132    HA   GLU  18           HA       GLU  18  10.802   8.178  -1.881
  133    HB2  GLU  18           HB2      GLU  18  13.132   7.389  -3.422
  134    HB3  GLU  18           HB3      GLU  18  13.536   8.612  -2.224
  135    HG2  GLU  18           HG2      GLU  18  11.833   6.488  -1.183
  136    HG3  GLU  18           HG3      GLU  18  13.392   5.919  -1.778
  137    H    LEU  19           H        LEU  19  11.908  10.051  -4.625
  138    HA   LEU  19           HA       LEU  19  12.779  12.347  -3.271
  139    HB2  LEU  19           HB2      LEU  19  11.729  11.831  -6.024
  140    HB3  LEU  19           HB3      LEU  19  12.058  13.479  -5.493
  141    HG   LEU  19           HG       LEU  19  14.414  12.420  -4.891
  142   HD11  LEU  19          HD11      LEU  19  14.778  10.380  -5.672
  143   HD12  LEU  19          HD12      LEU  19  14.410  10.930  -7.306
  144   HD13  LEU  19          HD13      LEU  19  13.122  10.308  -6.274
  145   HD21  LEU  19          HD21      LEU  19  13.684  13.096  -7.734
  146   HD22  LEU  19          HD22      LEU  19  15.250  13.297  -6.947
  147   HD23  LEU  19          HD23      LEU  19  13.880  14.296  -6.457
  148    H    LEU  20           H        LEU  20   9.600  11.585  -4.679
  149    HA   LEU  20           HA       LEU  20   8.395  13.989  -3.702
  150    HB2  LEU  20           HB2      LEU  20   6.535  11.846  -4.284
  151    HB3  LEU  20           HB3      LEU  20   6.706  13.429  -5.039
  152    HG   LEU  20           HG       LEU  20   8.194  10.908  -5.761
  153   HD11  LEU  20          HD11      LEU  20   6.975  11.845  -8.006
  154   HD12  LEU  20          HD12      LEU  20   5.796  12.256  -6.761
  155   HD13  LEU  20          HD13      LEU  20   6.327  10.586  -6.954
  156   HD21  LEU  20          HD21      LEU  20   9.035  13.585  -6.029
  157   HD22  LEU  20          HD22      LEU  20   8.532  13.042  -7.630
  158   HD23  LEU  20          HD23      LEU  20   9.758  12.141  -6.738
  159    H    HIS  21           H        HIS  21   8.313  10.580  -2.723
  160    HA   HIS  21           HA       HIS  21   6.518  10.922  -0.570
  161    HB2  HIS  21           HB2      HIS  21   8.287   8.796  -1.573
  162    HB3  HIS  21           HB3      HIS  21   8.010   8.751   0.166
  163    HD1  HIS  21           HD1      HIS  21   5.951   7.577   0.884
  164    HD2  HIS  21           HD2      HIS  21   5.723   8.833  -3.070
  165    HE1  HIS  21           HE1      HIS  21   3.779   6.658   0.011
  166    H    GLY  22           H        GLY  22   9.712  11.923  -0.963
  167    HA2  GLY  22           HA2      GLY  22  10.195  11.957   1.943
  168    HA3  GLY  22           HA3      GLY  22  11.434  12.125   0.708
  169    H    ALA  23           H        ALA  23   9.914  14.025  -0.883
  170    HA   ALA  23           HA       ALA  23  10.503  16.400   0.704
  171    HB1  ALA  23           HB1      ALA  23   9.621  16.668  -2.105
  172    HB2  ALA  23           HB2      ALA  23  10.927  17.479  -1.241
  173    HB3  ALA  23           HB3      ALA  23  11.149  15.832  -1.829
  174    H    GLY  24           H        GLY  24   7.889  14.509   0.333
  175    HA2  GLY  24           HA2      GLY  24   5.959  15.719   1.573
  176    HA3  GLY  24           HA3      GLY  24   5.963  16.720   0.129
  177    H    ASN  25           H        ASN  25   5.355  13.503   1.392
  178    HA   ASN  25           HA       ASN  25   4.562  12.260  -0.993
  179    HB2  ASN  25           HB2      ASN  25   4.945  10.832   0.840
  180    HB3  ASN  25           HB3      ASN  25   3.895  11.767   1.900
  181   HD21  ASN  25          HD21      ASN  25   1.633  11.602   1.636
  182   HD22  ASN  25          HD22      ASN  25   0.927  10.219   0.878
  183    H    HIS  26           H        HIS  26   2.882  14.421   1.172
  184    HA   HIS  26           HA       HIS  26   0.246  13.927   0.322
  185    HB2  HIS  26           HB2      HIS  26   1.314  16.591   1.261
  186    HB3  HIS  26           HB3      HIS  26  -0.334  15.985   1.395
  187    HD1  HIS  26           HD1      HIS  26   1.796  16.884   3.718
  188    HD2  HIS  26           HD2      HIS  26   0.458  13.064   2.779
  189    HE1  HIS  26           HE1      HIS  26   2.130  15.522   5.806
  190    H    ALA  27           H        ALA  27   2.845  15.779  -1.066
  191    HA   ALA  27           HA       ALA  27   1.441  17.480  -2.766
  192    HB1  ALA  27           HB1      ALA  27   4.008  17.216  -2.263
  193    HB2  ALA  27           HB2      ALA  27   3.967  16.229  -3.725
  194    HB3  ALA  27           HB3      ALA  27   3.447  17.913  -3.783
  195    H    ALA  28           H        ALA  28   2.279  14.082  -3.122
  196    HA   ALA  28           HA       ALA  28   1.256  13.971  -5.833
  197    HB1  ALA  28           HB1      ALA  28   2.756  12.334  -5.916
  198    HB2  ALA  28           HB2      ALA  28   2.918  12.308  -4.160
  199    HB3  ALA  28           HB3      ALA  28   1.650  11.364  -4.943
  200    H    GLY  29           H        GLY  29   0.218  13.169  -2.588
  201    HA2  GLY  29           HA2      GLY  29  -1.967  11.509  -3.268
  202    HA3  GLY  29           HA3      GLY  29  -1.778  12.390  -1.759
  203    H    ILE  30           H        ILE  30  -1.676  15.006  -2.907
  204    HA   ILE  30           HA       ILE  30  -4.525  15.369  -3.371
  205    HB   ILE  30           HB       ILE  30  -2.288  17.305  -2.806
  206   HG12  ILE  30          HG12      ILE  30  -3.292  17.590  -0.704
  207   HG13  ILE  30          HG13      ILE  30  -4.831  16.929  -1.246
  208   HG21  ILE  30          HG21      ILE  30  -3.520  18.671  -4.155
  209   HG22  ILE  30          HG22      ILE  30  -5.023  17.801  -3.852
  210   HG23  ILE  30          HG23      ILE  30  -4.384  18.907  -2.636
  211   HD11  ILE  30          HD11      ILE  30  -2.332  15.283  -1.001
  212   HD12  ILE  30          HD12      ILE  30  -3.504  15.476   0.303
  213   HD13  ILE  30          HD13      ILE  30  -3.989  14.720  -1.215
  214    H    LEU  31           H        LEU  31  -1.451  15.922  -5.010
  215    HA   LEU  31           HA       LEU  31  -2.321  17.409  -7.184
  216    HB2  LEU  31           HB2      LEU  31  -0.093  15.481  -6.744
  217    HB3  LEU  31           HB3      LEU  31  -0.415  16.050  -8.380
  218    HG   LEU  31           HG       LEU  31   0.103  17.914  -6.073
  219   HD11  LEU  31          HD11      LEU  31   2.203  17.359  -8.088
  220   HD12  LEU  31          HD12      LEU  31   1.960  16.166  -6.812
  221   HD13  LEU  31          HD13      LEU  31   2.348  17.835  -6.396
  222   HD21  LEU  31          HD21      LEU  31   0.113  18.231  -9.070
  223   HD22  LEU  31          HD22      LEU  31   0.699  19.453  -7.941
  224   HD23  LEU  31          HD23      LEU  31  -0.998  18.971  -7.918
  225    H    THR  32           H        THR  32  -2.469  13.939  -6.622
  226    HA   THR  32           HA       THR  32  -3.657  13.503  -9.256
  227    HB   THR  32           HB       THR  32  -1.970  11.892  -8.584
  228    HG1  THR  32           HG1      THR  32  -3.537   9.970  -8.526
  229   HG21  THR  32          HG21      THR  32  -1.803  10.996  -6.536
  230   HG22  THR  32          HG22      THR  32  -3.517  10.579  -6.490
  231   HG23  THR  32          HG23      THR  32  -2.991  12.201  -6.040
  232    H    LEU  33           H        LEU  33  -4.467  13.380  -5.835
  233    HA   LEU  33           HA       LEU  33  -7.298  13.347  -6.551
  234    HB2  LEU  33           HB2      LEU  33  -6.357  11.003  -5.992
  235    HB3  LEU  33           HB3      LEU  33  -6.328  11.588  -4.329
  236    HG   LEU  33           HG       LEU  33  -8.855  11.698  -5.934
  237   HD11  LEU  33          HD11      LEU  33  -8.355   9.359  -4.183
  238   HD12  LEU  33          HD12      LEU  33  -7.626   9.352  -5.788
  239   HD13  LEU  33          HD13      LEU  33  -9.374   9.509  -5.615
  240   HD21  LEU  33          HD21      LEU  33  -8.200  11.506  -2.998
  241   HD22  LEU  33          HD22      LEU  33  -9.832  11.433  -3.663
  242   HD23  LEU  33          HD23      LEU  33  -8.865  12.897  -3.855
  243    HN1  NH2  34           HN1      NH2  34  -7.574  15.837  -4.213
  244    HN2  NH2  34           HN2      NH2  34  -7.292  15.535  -5.890
  Start of MODEL    6
    1    H1   PCA   1           H1       PCA   1   2.236   1.105   2.817
    2    HA   PCA   1           HA       PCA   1   4.082   2.816   1.891
    3    HB2  PCA   1           HB2      PCA   1   5.986   2.771   3.326
    4    HB3  PCA   1           HB3      PCA   1   5.505   1.233   4.066
    5    HG2  PCA   1           HG2      PCA   1   4.109   3.943   4.364
    6    HG3  PCA   1           HG3      PCA   1   4.555   2.803   5.649
    7    HA   PRO   2           HA       PRO   2   3.519  -1.299  -0.085
    8    HB2  PRO   2           HB2      PRO   2   2.398  -0.286  -2.340
    9    HB3  PRO   2           HB3      PRO   2   1.457  -0.702  -0.903
   10    HG2  PRO   2           HG2      PRO   2   2.446   1.974  -1.810
   11    HG3  PRO   2           HG3      PRO   2   0.863   1.534  -1.144
   12    HD2  PRO   2           HD2      PRO   2   2.794   2.712   0.345
   13    HD3  PRO   2           HD3      PRO   2   1.631   1.558   1.029
   14    H    LEU   3           H        LEU   3   4.757  -2.151  -1.752
   15    HA   LEU   3           HA       LEU   3   7.126  -0.712  -2.420
   16    HB2  LEU   3           HB2      LEU   3   7.946  -2.700  -3.087
   17    HB3  LEU   3           HB3      LEU   3   6.563  -3.316  -2.184
   18    HG   LEU   3           HG       LEU   3   5.529  -2.957  -4.707
   19   HD11  LEU   3          HD11      LEU   3   8.276  -4.147  -5.034
   20   HD12  LEU   3          HD12      LEU   3   7.847  -2.505  -5.512
   21   HD13  LEU   3          HD13      LEU   3   7.061  -3.881  -6.285
   22   HD21  LEU   3          HD21      LEU   3   6.773  -5.573  -4.089
   23   HD22  LEU   3          HD22      LEU   3   5.125  -5.187  -4.583
   24   HD23  LEU   3          HD23      LEU   3   5.629  -4.927  -2.913
   25    HA   PRO   4           HA       PRO   4   6.090   1.148  -6.256
   26    HB2  PRO   4           HB2      PRO   4   8.387   0.836  -7.668
   27    HB3  PRO   4           HB3      PRO   4   8.235   1.967  -6.318
   28    HG2  PRO   4           HG2      PRO   4   9.423  -0.781  -6.363
   29    HG3  PRO   4           HG3      PRO   4  10.030   0.688  -5.575
   30    HD2  PRO   4           HD2      PRO   4   8.714  -1.254  -4.222
   31    HD3  PRO   4           HD3      PRO   4   8.608   0.461  -3.775
   32    H    ASP   5           H        ASP   5   5.041   0.579  -8.071
   33    HA   ASP   5           HA       ASP   5   4.967  -2.209  -8.824
   34    HB2  ASP   5           HB2      ASP   5   3.542  -0.326 -10.560
   35    HB3  ASP   5           HB3      ASP   5   2.941  -1.736  -9.693
   36    H    CYS   6           H        CYS   6   5.873   0.857 -10.370
   37    HA   CYS   6           HA       CYS   6   6.585  -0.176 -12.868
   38    HB2  CYS   6           HB2      CYS   6   7.246   1.938 -13.344
   39    HB3  CYS   6           HB3      CYS   6   6.473   2.315 -11.807
   40    H    CYS   7           H        CYS   7   8.094  -0.528  -9.838
   41    HA   CYS   7           HA       CYS   7  10.749  -1.004 -10.890
   42    HB2  CYS   7           HB2      CYS   7  10.233  -0.012  -8.598
   43    HB3  CYS   7           HB3      CYS   7   9.770  -1.639  -8.108
   44    H    ARG   8           H        ARG   8   7.912  -2.828 -10.113
   45    HA   ARG   8           HA       ARG   8   9.253  -5.373  -9.986
   46    HB2  ARG   8           HB2      ARG   8   7.294  -5.317  -8.712
   47    HB3  ARG   8           HB3      ARG   8   6.387  -4.488  -9.970
   48    HG2  ARG   8           HG2      ARG   8   6.262  -6.483 -11.286
   49    HG3  ARG   8           HG3      ARG   8   7.350  -7.330 -10.184
   50    HD2  ARG   8           HD2      ARG   8   5.739  -7.380  -8.468
   51    HD3  ARG   8           HD3      ARG   8   4.733  -6.174  -9.269
   52    HE   ARG   8           HE       ARG   8   5.089  -8.639 -10.735
   53   HH11  ARG   8          HH11      ARG   8   3.153  -6.872  -8.444
   54   HH12  ARG   8          HH12      ARG   8   1.725  -7.810  -8.728
   55   HH21  ARG   8          HH21      ARG   8   3.215  -9.882 -11.118
   56   HH22  ARG   8          HH22      ARG   8   1.762  -9.523 -10.249
   57    H    GLN   9           H        GLN   9   7.557  -3.479 -12.401
   58    HA   GLN   9           HA       GLN   9   7.800  -5.646 -14.351
   59    HB2  GLN   9           HB2      GLN   9   6.447  -2.954 -14.597
   60    HB3  GLN   9           HB3      GLN   9   6.402  -4.238 -15.797
   61    HG2  GLN   9           HG2      GLN   9   5.538  -5.427 -13.430
   62    HG3  GLN   9           HG3      GLN   9   4.763  -3.844 -13.468
   63   HE21  GLN   9          HE21      GLN   9   2.745  -4.222 -14.082
   64   HE22  GLN   9          HE22      GLN   9   2.271  -5.112 -15.485
   65    H    LYS  10           H        LYS  10   9.581  -3.067 -13.260
   66    HA   LYS  10           HA       LYS  10  11.442  -2.001 -14.018
   67    HB2  LYS  10           HB2      LYS  10  11.287  -4.369 -15.838
   68    HB3  LYS  10           HB3      LYS  10  12.451  -3.099 -16.193
   69    HG2  LYS  10           HG2      LYS  10  13.262  -3.381 -13.805
   70    HG3  LYS  10           HG3      LYS  10  12.297  -4.858 -13.766
   71    HD2  LYS  10           HD2      LYS  10  14.348  -5.677 -14.419
   72    HD3  LYS  10           HD3      LYS  10  13.577  -5.400 -15.982
   73    HE2  LYS  10           HE2      LYS  10  14.758  -2.972 -15.393
   74    HE3  LYS  10           HE3      LYS  10  15.930  -4.155 -14.812
   75    HZ1  LYS  10           HZ1      LYS  10  14.960  -3.691 -17.546
   76    HZ2  LYS  10           HZ2      LYS  10  15.486  -5.240 -17.114
   77    HZ3  LYS  10           HZ3      LYS  10  16.542  -3.923 -16.993
   78    H    THR  11           H        THR  11   9.030  -0.856 -14.701
   79    HA   THR  11           HA       THR  11   9.316  -0.015 -17.496
   80    HB   THR  11           HB       THR  11   7.095   0.344 -17.569
   81    HG1  THR  11           HG1      THR  11   6.510   1.995 -16.391
   82   HG21  THR  11          HG21      THR  11   6.655  -0.912 -14.917
   83   HG22  THR  11          HG22      THR  11   7.575  -1.836 -16.103
   84   HG23  THR  11          HG23      THR  11   5.941  -1.294 -16.483
   85    H    CYS  12           H        CYS  12  10.128   0.975 -14.386
   86    HA   CYS  12           HA       CYS  12  11.235   3.422 -15.256
   87    HB2  CYS  12           HB2      CYS  12   9.736   5.012 -14.659
   88    HB3  CYS  12           HB3      CYS  12   8.566   3.715 -14.877
   89    H    SER  13           H        SER  13  11.866   4.803 -13.228
   90    HA   SER  13           HA       SER  13  13.435   3.136 -11.569
   91    HB2  SER  13           HB2      SER  13  12.834   6.073 -11.637
   92    HB3  SER  13           HB3      SER  13  13.694   5.391 -10.257
   93    HG   SER  13           HG       SER  13  15.316   5.815 -11.591
   94    H    CYS  14           H        CYS  14  13.293   2.711  -9.354
   95    HA   CYS  14           HA       CYS  14  10.570   2.552  -8.357
   96    HB2  CYS  14           HB2      CYS  14  12.747   1.619  -6.611
   97    HB3  CYS  14           HB3      CYS  14  11.278   0.794  -7.122
   98    H    ARG  15           H        ARG  15  13.668   3.516  -6.868
   99    HA   ARG  15           HA       ARG  15  12.580   4.866  -4.696
  100    HB2  ARG  15           HB2      ARG  15  14.994   4.209  -5.036
  101    HB3  ARG  15           HB3      ARG  15  15.156   5.614  -6.082
  102    HG2  ARG  15           HG2      ARG  15  15.302   7.023  -4.358
  103    HG3  ARG  15           HG3      ARG  15  13.993   6.230  -3.479
  104    HD2  ARG  15           HD2      ARG  15  16.696   4.956  -3.703
  105    HD3  ARG  15           HD3      ARG  15  16.374   6.185  -2.481
  106    HE   ARG  15           HE       ARG  15  14.342   4.360  -2.221
  107   HH11  ARG  15          HH11      ARG  15  17.820   4.269  -2.078
  108   HH12  ARG  15          HH12      ARG  15  17.869   2.955  -0.950
  109   HH21  ARG  15          HH21      ARG  15  14.394   2.629  -0.736
  110   HH22  ARG  15          HH22      ARG  15  15.920   2.022  -0.188
  111    H    LEU  16           H        LEU  16  12.374   5.682  -7.936
  112    HA   LEU  16           HA       LEU  16  12.622   8.441  -8.012
  113    HB2  LEU  16           HB2      LEU  16  11.750   8.282 -10.072
  114    HB3  LEU  16           HB3      LEU  16  11.916   6.550  -9.794
  115    HG   LEU  16           HG       LEU  16   9.379   8.108  -9.311
  116   HD11  LEU  16          HD11      LEU  16  10.036   8.110 -11.691
  117   HD12  LEU  16          HD12      LEU  16   8.564   7.189 -11.385
  118   HD13  LEU  16          HD13      LEU  16  10.090   6.347 -11.653
  119   HD21  LEU  16          HD21      LEU  16   8.715   6.265  -8.270
  120   HD22  LEU  16          HD22      LEU  16  10.245   5.463  -8.627
  121   HD23  LEU  16          HD23      LEU  16   8.913   5.378  -9.781
  122    H    TYR  17           H        TYR  17  10.021   6.458  -6.762
  123    HA   TYR  17           HA       TYR  17   8.100   8.534  -6.509
  124    HB2  TYR  17           HB2      TYR  17   6.872   6.973  -5.102
  125    HB3  TYR  17           HB3      TYR  17   7.508   6.134  -6.513
  126    HD1  TYR  17           HD1      TYR  17   8.466   6.892  -2.979
  127    HD2  TYR  17           HD2      TYR  17   8.546   4.098  -6.187
  128    HE1  TYR  17           HE1      TYR  17   9.537   5.239  -1.505
  129    HE2  TYR  17           HE2      TYR  17   9.616   2.437  -4.722
  130    HH   TYR  17           HH       TYR  17  11.046   3.183  -1.836
  131    H    GLU  18           H        GLU  18  10.586   7.233  -4.375
  132    HA   GLU  18           HA       GLU  18   9.838   8.538  -2.014
  133    HB2  GLU  18           HB2      GLU  18  12.246   7.205  -3.047
  134    HB3  GLU  18           HB3      GLU  18  12.567   8.439  -1.837
  135    HG2  GLU  18           HG2      GLU  18  10.414   6.928  -0.861
  136    HG3  GLU  18           HG3      GLU  18  11.588   5.775  -1.494
  137    H    LEU  19           H        LEU  19  11.637   9.648  -4.806
  138    HA   LEU  19           HA       LEU  19  12.814  11.945  -3.780
  139    HB2  LEU  19           HB2      LEU  19  11.827  11.157  -6.484
  140    HB3  LEU  19           HB3      LEU  19  12.378  12.808  -6.210
  141    HG   LEU  19           HG       LEU  19  14.204  11.636  -7.140
  142   HD11  LEU  19          HD11      LEU  19  14.451  12.968  -4.862
  143   HD12  LEU  19          HD12      LEU  19  15.820  12.167  -5.632
  144   HD13  LEU  19          HD13      LEU  19  14.984  11.388  -4.289
  145   HD21  LEU  19          HD21      LEU  19  14.798   9.482  -6.727
  146   HD22  LEU  19          HD22      LEU  19  13.089   9.373  -6.304
  147   HD23  LEU  19          HD23      LEU  19  14.302   9.550  -5.035
  148    H    LEU  20           H        LEU  20   9.634  11.629  -5.357
  149    HA   LEU  20           HA       LEU  20   8.906  14.333  -4.695
  150    HB2  LEU  20           HB2      LEU  20   6.951  12.247  -5.567
  151    HB3  LEU  20           HB3      LEU  20   6.965  13.976  -5.911
  152    HG   LEU  20           HG       LEU  20   9.281  12.811  -7.088
  153   HD11  LEU  20          HD11      LEU  20   8.369  11.187  -8.569
  154   HD12  LEU  20          HD12      LEU  20   6.735  11.467  -7.967
  155   HD13  LEU  20          HD13      LEU  20   7.939  10.705  -6.928
  156   HD21  LEU  20          HD21      LEU  20   6.761  13.848  -8.377
  157   HD22  LEU  20          HD22      LEU  20   8.365  13.750  -9.103
  158   HD23  LEU  20          HD23      LEU  20   8.067  14.865  -7.769
  159    H    HIS  21           H        HIS  21   8.268  11.121  -3.428
  160    HA   HIS  21           HA       HIS  21   6.181  11.818  -1.662
  161    HB2  HIS  21           HB2      HIS  21   8.059   9.522  -1.936
  162    HB3  HIS  21           HB3      HIS  21   7.207   9.703  -0.406
  163    HD1  HIS  21           HD1      HIS  21   5.490   7.900  -0.540
  164    HD2  HIS  21           HD2      HIS  21   5.626  10.206  -3.994
  165    HE1  HIS  21           HE1      HIS  21   3.553   7.124  -1.943
  166    H    GLY  22           H        GLY  22   9.511  12.503  -1.598
  167    HA2  GLY  22           HA2      GLY  22   9.333  13.200   1.269
  168    HA3  GLY  22           HA3      GLY  22  10.821  12.671   0.498
  169    H    ALA  23           H        ALA  23  10.272  14.252  -1.929
  170    HA   ALA  23           HA       ALA  23  11.206  16.819  -0.883
  171    HB1  ALA  23           HB1      ALA  23  12.395  15.442  -2.718
  172    HB2  ALA  23           HB2      ALA  23  11.157  16.102  -3.788
  173    HB3  ALA  23           HB3      ALA  23  12.245  17.187  -2.922
  174    H    GLY  24           H        GLY  24   8.304  15.594  -1.428
  175    HA2  GLY  24           HA2      GLY  24   6.937  18.007  -1.566
  176    HA3  GLY  24           HA3      GLY  24   7.081  17.426  -3.219
  177    H    ASN  25           H        ASN  25   6.420  15.861  -0.083
  178    HA   ASN  25           HA       ASN  25   4.580  14.021  -1.212
  179    HB2  ASN  25           HB2      ASN  25   4.534  13.063   0.855
  180    HB3  ASN  25           HB3      ASN  25   5.962  14.065   1.097
  181   HD21  ASN  25          HD21      ASN  25   5.582  16.219   2.035
  182   HD22  ASN  25          HD22      ASN  25   4.343  16.381   3.229
  183    H    HIS  26           H        HIS  26   4.272  17.198   0.181
  184    HA   HIS  26           HA       HIS  26   1.515  17.174   0.741
  185    HB2  HIS  26           HB2      HIS  26   3.340  19.465  -0.009
  186    HB3  HIS  26           HB3      HIS  26   1.695  19.663   0.588
  187    HD1  HIS  26           HD1      HIS  26   5.156  19.160   1.697
  188    HD2  HIS  26           HD2      HIS  26   1.351  18.818   3.330
  189    HE1  HIS  26           HE1      HIS  26   5.498  19.067   4.187
  190    H    ALA  27           H        ALA  27   3.298  17.563  -2.221
  191    HA   ALA  27           HA       ALA  27   1.399  18.814  -3.828
  192    HB1  ALA  27           HB1      ALA  27   2.550  17.692  -5.725
  193    HB2  ALA  27           HB2      ALA  27   3.646  18.508  -4.609
  194    HB3  ALA  27           HB3      ALA  27   3.476  16.754  -4.553
  195    H    ALA  28           H        ALA  28   1.706  15.445  -2.862
  196    HA   ALA  28           HA       ALA  28  -0.471  14.609  -4.586
  197    HB1  ALA  28           HB1      ALA  28  -0.079  12.383  -3.651
  198    HB2  ALA  28           HB2      ALA  28   1.417  13.107  -4.244
  199    HB3  ALA  28           HB3      ALA  28   1.083  13.065  -2.512
  200    H    GLY  29           H        GLY  29   0.070  15.413  -1.222
  201    HA2  GLY  29           HA2      GLY  29  -2.300  14.299  -0.160
  202    HA3  GLY  29           HA3      GLY  29  -1.360  15.594   0.565
  203    H    ILE  30           H        ILE  30  -1.605  17.442  -1.602
  204    HA   ILE  30           HA       ILE  30  -4.303  18.379  -1.048
  205    HB   ILE  30           HB       ILE  30  -2.063  19.745  -2.545
  206   HG12  ILE  30          HG12      ILE  30  -1.697  19.231  -0.075
  207   HG13  ILE  30          HG13      ILE  30  -1.561  20.921  -0.548
  208   HG21  ILE  30          HG21      ILE  30  -4.849  20.507  -1.881
  209   HG22  ILE  30          HG22      ILE  30  -3.610  21.754  -1.745
  210   HG23  ILE  30          HG23      ILE  30  -3.862  20.925  -3.281
  211   HD11  ILE  30          HD11      ILE  30  -3.119  19.862   1.491
  212   HD12  ILE  30          HD12      ILE  30  -3.169  21.506   0.855
  213   HD13  ILE  30          HD13      ILE  30  -4.261  20.279   0.215
  214    H    LEU  31           H        LEU  31  -2.319  17.395  -3.792
  215    HA   LEU  31           HA       LEU  31  -3.986  18.129  -5.884
  216    HB2  LEU  31           HB2      LEU  31  -1.966  15.972  -5.495
  217    HB3  LEU  31           HB3      LEU  31  -2.970  15.947  -6.943
  218    HG   LEU  31           HG       LEU  31  -1.299  18.325  -6.162
  219   HD11  LEU  31          HD11      LEU  31  -0.270  16.775  -8.368
  220   HD12  LEU  31          HD12      LEU  31  -0.302  15.832  -6.879
  221   HD13  LEU  31          HD13      LEU  31   0.554  17.373  -6.928
  222   HD21  LEU  31          HD21      LEU  31  -3.318  18.160  -7.944
  223   HD22  LEU  31          HD22      LEU  31  -1.955  17.698  -8.964
  224   HD23  LEU  31          HD23      LEU  31  -1.938  19.246  -8.116
  225    H    THR  32           H        THR  32  -4.122  15.318  -3.772
  226    HA   THR  32           HA       THR  32  -6.434  14.269  -5.221
  227    HB   THR  32           HB       THR  32  -4.758  12.630  -4.586
  228    HG1  THR  32           HG1      THR  32  -6.172  11.224  -3.406
  229   HG21  THR  32          HG21      THR  32  -3.723  12.566  -2.600
  230   HG22  THR  32          HG22      THR  32  -5.242  12.690  -1.712
  231   HG23  THR  32          HG23      THR  32  -4.444  14.147  -2.304
  232    H    LEU  33           H        LEU  33  -5.556  15.676  -2.119
  233    HA   LEU  33           HA       LEU  33  -6.828  16.692  -0.522
  234    HB2  LEU  33           HB2      LEU  33  -8.338  16.954  -2.830
  235    HB3  LEU  33           HB3      LEU  33  -9.458  16.246  -1.668
  236    HG   LEU  33           HG       LEU  33  -7.892  18.600  -0.774
  237   HD11  LEU  33          HD11      LEU  33 -10.204  19.645  -1.958
  238   HD12  LEU  33          HD12      LEU  33  -9.444  18.636  -3.188
  239   HD13  LEU  33          HD13      LEU  33  -8.528  19.936  -2.424
  240   HD21  LEU  33          HD21      LEU  33  -9.872  19.074   0.460
  241   HD22  LEU  33          HD22      LEU  33  -9.554  17.347   0.623
  242   HD23  LEU  33          HD23      LEU  33 -10.810  17.913  -0.480
  243    HN1  NH2  34           HN1      NH2  34  -8.702  14.932   1.539
  244    HN2  NH2  34           HN2      NH2  34  -7.019  15.295   1.399
  Start of MODEL    7
    1    H1   PCA   1           H1       PCA   1   2.779   2.253   3.093
    2    HA   PCA   1           HA       PCA   1   2.445   4.437   1.573
    3    HB2  PCA   1           HB2      PCA   1   4.565   5.462   1.194
    4    HB3  PCA   1           HB3      PCA   1   5.456   4.005   1.671
    5    HG2  PCA   1           HG2      PCA   1   3.789   5.828   3.482
    6    HG3  PCA   1           HG3      PCA   1   5.430   5.217   3.770
    7    HA   PRO   2           HA       PRO   2   1.997   1.452  -1.512
    8    HB2  PRO   2           HB2      PRO   2   2.291   2.980  -3.737
    9    HB3  PRO   2           HB3      PRO   2   0.866   3.065  -2.695
   10    HG2  PRO   2           HG2      PRO   2   3.257   4.863  -2.784
   11    HG3  PRO   2           HG3      PRO   2   1.542   5.289  -2.639
   12    HD2  PRO   2           HD2      PRO   2   3.214   5.235  -0.510
   13    HD3  PRO   2           HD3      PRO   2   1.490   4.833  -0.380
   14    H    LEU   3           H        LEU   3   3.112   0.167  -2.995
   15    HA   LEU   3           HA       LEU   3   5.997   0.350  -2.825
   16    HB2  LEU   3           HB2      LEU   3   6.031  -1.854  -3.284
   17    HB3  LEU   3           HB3      LEU   3   4.346  -1.751  -2.777
   18    HG   LEU   3           HG       LEU   3   4.193  -1.252  -5.474
   19   HD11  LEU   3          HD11      LEU   3   6.166  -3.496  -5.116
   20   HD12  LEU   3          HD12      LEU   3   6.614  -1.871  -5.634
   21   HD13  LEU   3          HD13      LEU   3   5.530  -2.845  -6.627
   22   HD21  LEU   3          HD21      LEU   3   2.589  -2.692  -4.852
   23   HD22  LEU   3          HD22      LEU   3   3.609  -3.460  -3.635
   24   HD23  LEU   3          HD23      LEU   3   3.750  -3.932  -5.329
   25    HA   PRO   4           HA       PRO   4   6.812   2.083  -6.773
   26    HB2  PRO   4           HB2      PRO   4   9.034   0.720  -7.531
   27    HB3  PRO   4           HB3      PRO   4   9.046   1.943  -6.255
   28    HG2  PRO   4           HG2      PRO   4   8.939  -1.039  -6.020
   29    HG3  PRO   4           HG3      PRO   4   9.893   0.123  -5.081
   30    HD2  PRO   4           HD2      PRO   4   7.596  -0.966  -4.149
   31    HD3  PRO   4           HD3      PRO   4   8.115   0.678  -3.724
   32    H    ASP   5           H        ASP   5   6.108   1.815  -8.810
   33    HA   ASP   5           HA       ASP   5   5.009  -0.730  -9.588
   34    HB2  ASP   5           HB2      ASP   5   5.164   1.469 -11.570
   35    HB3  ASP   5           HB3      ASP   5   3.808   0.430 -11.141
   36    H    CYS   6           H        CYS   6   7.594   1.399 -10.767
   37    HA   CYS   6           HA       CYS   6   8.390  -0.113 -12.968
   38    HB2  CYS   6           HB2      CYS   6  10.286   1.445 -11.212
   39    HB3  CYS   6           HB3      CYS   6  10.415   1.141 -12.942
   40    H    CYS   7           H        CYS   7   9.027  -0.541  -9.567
   41    HA   CYS   7           HA       CYS   7  11.189  -2.368  -9.844
   42    HB2  CYS   7           HB2      CYS   7   9.957  -1.041  -7.735
   43    HB3  CYS   7           HB3      CYS   7   9.591  -2.737  -7.436
   44    H    ARG   8           H        ARG   8   7.731  -2.667  -9.952
   45    HA   ARG   8           HA       ARG   8   7.708  -5.523  -9.584
   46    HB2  ARG   8           HB2      ARG   8   5.739  -4.450  -8.874
   47    HB3  ARG   8           HB3      ARG   8   5.631  -3.485 -10.340
   48    HG2  ARG   8           HG2      ARG   8   4.721  -5.197 -11.566
   49    HG3  ARG   8           HG3      ARG   8   5.427  -6.449 -10.542
   50    HD2  ARG   8           HD2      ARG   8   3.699  -4.901  -8.923
   51    HD3  ARG   8           HD3      ARG   8   2.831  -5.276 -10.412
   52    HE   ARG   8           HE       ARG   8   3.527  -7.097  -8.324
   53   HH11  ARG   8          HH11      ARG   8   2.958  -6.819 -11.747
   54   HH12  ARG   8          HH12      ARG   8   2.501  -8.480 -11.938
   55   HH21  ARG   8          HH21      ARG   8   2.927  -9.285  -8.563
   56   HH22  ARG   8          HH22      ARG   8   2.483  -9.881 -10.126
   57    H    GLN   9           H        GLN   9   7.504  -3.280 -12.305
   58    HA   GLN   9           HA       GLN   9   7.439  -5.532 -14.174
   59    HB2  GLN   9           HB2      GLN   9   7.229  -2.589 -14.811
   60    HB3  GLN   9           HB3      GLN   9   6.844  -3.937 -15.872
   61    HG2  GLN   9           HG2      GLN   9   5.226  -4.395 -13.707
   62    HG3  GLN   9           HG3      GLN   9   5.227  -2.636 -13.833
   63   HE21  GLN   9          HE21      GLN   9   4.837  -5.561 -15.788
   64   HE22  GLN   9          HE22      GLN   9   3.646  -4.902 -16.852
   65    H    LYS  10           H        LYS  10   9.683  -3.667 -12.631
   66    HA   LYS  10           HA       LYS  10  11.874  -3.141 -12.978
   67    HB2  LYS  10           HB2      LYS  10  11.619  -5.618 -14.687
   68    HB3  LYS  10           HB3      LYS  10  13.157  -4.850 -14.313
   69    HG2  LYS  10           HG2      LYS  10  11.259  -5.819 -12.195
   70    HG3  LYS  10           HG3      LYS  10  12.528  -6.829 -12.892
   71    HD2  LYS  10           HD2      LYS  10  14.236  -5.416 -12.062
   72    HD3  LYS  10           HD3      LYS  10  13.085  -4.140 -11.659
   73    HE2  LYS  10           HE2      LYS  10  12.425  -5.158  -9.736
   74    HE3  LYS  10           HE3      LYS  10  12.671  -6.780 -10.381
   75    HZ1  LYS  10           HZ1      LYS  10  14.257  -5.785  -8.570
   76    HZ2  LYS  10           HZ2      LYS  10  15.026  -5.103  -9.913
   77    HZ3  LYS  10           HZ3      LYS  10  14.858  -6.782  -9.798
   78    H    THR  11           H        THR  11  10.186  -1.589 -14.504
   79    HA   THR  11           HA       THR  11  11.529  -1.404 -17.116
   80    HB   THR  11           HB       THR  11   9.646  -0.404 -18.024
   81    HG1  THR  11           HG1      THR  11   7.991   0.531 -16.649
   82   HG21  THR  11          HG21      THR  11   8.854  -2.415 -15.954
   83   HG22  THR  11          HG22      THR  11   8.897  -2.574 -17.710
   84   HG23  THR  11          HG23      THR  11   7.619  -1.634 -16.941
   85    H    CYS  12           H        CYS  12  11.418   0.000 -14.064
   86    HA   CYS  12           HA       CYS  12  13.186   2.107 -14.829
   87    HB2  CYS  12           HB2      CYS  12  11.778   3.828 -15.051
   88    HB3  CYS  12           HB3      CYS  12  10.427   2.708 -14.907
   89    H    SER  13           H        SER  13  13.595   3.587 -12.847
   90    HA   SER  13           HA       SER  13  14.439   1.959 -10.721
   91    HB2  SER  13           HB2      SER  13  14.501   4.411  -9.590
   92    HB3  SER  13           HB3      SER  13  15.715   3.847 -10.737
   93    HG   SER  13           HG       SER  13  14.391   5.977 -11.026
   94    H    CYS  14           H        CYS  14  13.716   1.765  -8.590
   95    HA   CYS  14           HA       CYS  14  10.836   2.003  -8.295
   96    HB2  CYS  14           HB2      CYS  14  12.471   0.992  -6.042
   97    HB3  CYS  14           HB3      CYS  14  10.986   0.349  -6.736
   98    H    ARG  15           H        ARG  15  13.765   3.418  -7.006
   99    HA   ARG  15           HA       ARG  15  12.552   4.753  -4.809
  100    HB2  ARG  15           HB2      ARG  15  15.005   4.262  -5.048
  101    HB3  ARG  15           HB3      ARG  15  15.083   5.536  -6.258
  102    HG2  ARG  15           HG2      ARG  15  14.682   7.215  -4.698
  103    HG3  ARG  15           HG3      ARG  15  14.027   6.084  -3.512
  104    HD2  ARG  15           HD2      ARG  15  16.091   6.389  -2.606
  105    HD3  ARG  15           HD3      ARG  15  16.468   5.063  -3.705
  106    HE   ARG  15           HE       ARG  15  17.763   6.494  -4.936
  107   HH11  ARG  15          HH11      ARG  15  15.732   8.341  -2.795
  108   HH12  ARG  15          HH12      ARG  15  16.515   9.847  -3.140
  109   HH21  ARG  15          HH21      ARG  15  18.801   8.472  -5.400
  110   HH22  ARG  15          HH22      ARG  15  18.259   9.921  -4.623
  111    H    LEU  16           H        LEU  16  12.027   5.159  -8.005
  112    HA   LEU  16           HA       LEU  16  12.189   7.889  -8.501
  113    HB2  LEU  16           HB2      LEU  16  11.091   7.432 -10.407
  114    HB3  LEU  16           HB3      LEU  16  11.386   5.762  -9.926
  115    HG   LEU  16           HG       LEU  16   8.836   7.221  -9.270
  116   HD11  LEU  16          HD11      LEU  16   8.185   5.470 -11.248
  117   HD12  LEU  16          HD12      LEU  16   9.745   6.074 -11.805
  118   HD13  LEU  16          HD13      LEU  16   8.431   7.202 -11.472
  119   HD21  LEU  16          HD21      LEU  16   9.926   4.748  -8.481
  120   HD22  LEU  16          HD22      LEU  16   8.629   4.390  -9.621
  121   HD23  LEU  16          HD23      LEU  16   8.299   5.362  -8.186
  122    H    TYR  17           H        TYR  17   9.775   6.044  -6.748
  123    HA   TYR  17           HA       TYR  17   7.842   8.115  -6.564
  124    HB2  TYR  17           HB2      TYR  17   6.775   6.729  -4.886
  125    HB3  TYR  17           HB3      TYR  17   7.334   5.710  -6.208
  126    HD1  TYR  17           HD1      TYR  17   8.359   6.922  -2.834
  127    HD2  TYR  17           HD2      TYR  17   8.613   3.826  -5.741
  128    HE1  TYR  17           HE1      TYR  17   9.584   5.521  -1.226
  129    HE2  TYR  17           HE2      TYR  17   9.837   2.416  -4.141
  130    HH   TYR  17           HH       TYR  17   9.955   2.309  -1.497
  131    H    GLU  18           H        GLU  18  10.551   7.119  -4.540
  132    HA   GLU  18           HA       GLU  18  10.005   8.703  -2.298
  133    HB2  GLU  18           HB2      GLU  18  12.210   7.132  -3.297
  134    HB3  GLU  18           HB3      GLU  18  12.801   8.624  -2.579
  135    HG2  GLU  18           HG2      GLU  18  10.777   7.368  -0.937
  136    HG3  GLU  18           HG3      GLU  18  12.138   6.293  -1.251
  137    H    LEU  19           H        LEU  19  11.500   9.472  -5.371
  138    HA   LEU  19           HA       LEU  19  12.725  11.887  -4.767
  139    HB2  LEU  19           HB2      LEU  19  11.500  10.731  -7.223
  140    HB3  LEU  19           HB3      LEU  19  11.970  12.430  -7.231
  141    HG   LEU  19           HG       LEU  19  14.265  11.423  -6.373
  142   HD11  LEU  19          HD11      LEU  19  14.071   9.261  -8.191
  143   HD12  LEU  19          HD12      LEU  19  12.767   9.097  -7.015
  144   HD13  LEU  19          HD13      LEU  19  14.439   9.218  -6.467
  145   HD21  LEU  19          HD21      LEU  19  13.198  11.634  -9.166
  146   HD22  LEU  19          HD22      LEU  19  14.871  11.168  -8.859
  147   HD23  LEU  19          HD23      LEU  19  14.274  12.731  -8.300
  148    H    LEU  20           H        LEU  20   9.409  11.375  -5.974
  149    HA   LEU  20           HA       LEU  20   8.704  14.130  -5.545
  150    HB2  LEU  20           HB2      LEU  20   6.690  11.968  -5.966
  151    HB3  LEU  20           HB3      LEU  20   6.677  13.636  -6.536
  152    HG   LEU  20           HG       LEU  20   8.864  12.201  -7.729
  153   HD11  LEU  20          HD11      LEU  20   7.468  10.672  -9.113
  154   HD12  LEU  20          HD12      LEU  20   6.133  10.959  -7.997
  155   HD13  LEU  20          HD13      LEU  20   7.612  10.188  -7.423
  156   HD21  LEU  20          HD21      LEU  20   7.573  14.309  -8.440
  157   HD22  LEU  20          HD22      LEU  20   6.392  13.184  -9.112
  158   HD23  LEU  20          HD23      LEU  20   8.058  13.164  -9.691
  159    H    HIS  21           H        HIS  21   8.316  11.097  -3.840
  160    HA   HIS  21           HA       HIS  21   6.372  11.953  -1.976
  161    HB2  HIS  21           HB2      HIS  21   8.250   9.670  -2.216
  162    HB3  HIS  21           HB3      HIS  21   7.662  10.033  -0.596
  163    HD1  HIS  21           HD1      HIS  21   5.810   8.488  -0.088
  164    HD2  HIS  21           HD2      HIS  21   5.675   9.806  -4.026
  165    HE1  HIS  21           HE1      HIS  21   3.734   7.463  -1.069
  166    H    GLY  22           H        GLY  22   9.682  12.687  -2.317
  167    HA2  GLY  22           HA2      GLY  22   9.817  13.629   0.478
  168    HA3  GLY  22           HA3      GLY  22  11.217  13.224  -0.505
  169    H    ALA  23           H        ALA  23  10.342  14.571  -2.879
  170    HA   ALA  23           HA       ALA  23  11.049  17.282  -2.098
  171    HB1  ALA  23           HB1      ALA  23  11.843  15.742  -4.181
  172    HB2  ALA  23           HB2      ALA  23  10.588  16.719  -4.944
  173    HB3  ALA  23           HB3      ALA  23  11.951  17.502  -4.144
  174    H    GLY  24           H        GLY  24   8.237  15.698  -2.210
  175    HA2  GLY  24           HA2      GLY  24   6.616  17.973  -2.185
  176    HA3  GLY  24           HA3      GLY  24   6.560  17.309  -3.811
  177    H    ASN  25           H        ASN  25   6.352  16.158  -0.441
  178    HA   ASN  25           HA       ASN  25   4.663  13.959  -1.177
  179    HB2  ASN  25           HB2      ASN  25   4.803  13.285   1.047
  180    HB3  ASN  25           HB3      ASN  25   6.318  14.156   0.827
  181   HD21  ASN  25          HD21      ASN  25   3.608  13.818   2.724
  182   HD22  ASN  25          HD22      ASN  25   3.730  15.284   3.631
  183    H    HIS  26           H        HIS  26   4.200  17.152   0.228
  184    HA   HIS  26           HA       HIS  26   1.506  16.860   0.984
  185    HB2  HIS  26           HB2      HIS  26   1.437  19.312   1.006
  186    HB3  HIS  26           HB3      HIS  26   2.908  18.715   1.768
  187    HD1  HIS  26           HD1      HIS  26   2.478  21.584   0.426
  188    HD2  HIS  26           HD2      HIS  26   4.490  18.346  -1.226
  189    HE1  HIS  26           HE1      HIS  26   4.062  22.566  -1.263
  190    H    ALA  27           H        ALA  27   3.021  17.477  -2.087
  191    HA   ALA  27           HA       ALA  27   0.902  18.581  -3.517
  192    HB1  ALA  27           HB1      ALA  27   3.180  18.432  -4.389
  193    HB2  ALA  27           HB2      ALA  27   3.016  16.681  -4.527
  194    HB3  ALA  27           HB3      ALA  27   2.014  17.742  -5.518
  195    H    ALA  28           H        ALA  28   1.587  15.235  -2.673
  196    HA   ALA  28           HA       ALA  28  -0.627  14.237  -4.258
  197    HB1  ALA  28           HB1      ALA  28   0.584  12.400  -2.331
  198    HB2  ALA  28           HB2      ALA  28   0.340  12.226  -4.069
  199    HB3  ALA  28           HB3      ALA  28   1.731  13.122  -3.460
  200    H    GLY  29           H        GLY  29   0.086  15.017  -0.921
  201    HA2  GLY  29           HA2      GLY  29  -2.086  13.662   0.278
  202    HA3  GLY  29           HA3      GLY  29  -1.217  15.024   0.970
  203    H    ILE  30           H        ILE  30  -1.791  16.888  -1.119
  204    HA   ILE  30           HA       ILE  30  -4.515  17.556  -0.346
  205    HB   ILE  30           HB       ILE  30  -2.586  19.178  -2.009
  206   HG12  ILE  30          HG12      ILE  30  -1.777  18.611   0.316
  207   HG13  ILE  30          HG13      ILE  30  -1.949  20.331  -0.015
  208   HG21  ILE  30          HG21      ILE  30  -4.095  21.043  -1.056
  209   HG22  ILE  30          HG22      ILE  30  -4.695  20.067  -2.396
  210   HG23  ILE  30          HG23      ILE  30  -5.244  19.740  -0.752
  211   HD11  ILE  30          HD11      ILE  30  -4.207  20.187   1.097
  212   HD12  ILE  30          HD12      ILE  30  -3.736  18.573   1.631
  213   HD13  ILE  30          HD13      ILE  30  -2.804  19.979   2.145
  214    H    LEU  31           H        LEU  31  -2.658  16.821  -3.253
  215    HA   LEU  31           HA       LEU  31  -4.536  17.442  -5.198
  216    HB2  LEU  31           HB2      LEU  31  -2.305  15.475  -5.016
  217    HB3  LEU  31           HB3      LEU  31  -3.407  15.388  -6.389
  218    HG   LEU  31           HG       LEU  31  -1.899  17.890  -5.660
  219   HD11  LEU  31          HD11      LEU  31  -0.060  17.207  -6.741
  220   HD12  LEU  31          HD12      LEU  31  -0.982  16.349  -7.975
  221   HD13  LEU  31          HD13      LEU  31  -0.668  15.583  -6.417
  222   HD21  LEU  31          HD21      LEU  31  -2.956  17.105  -8.350
  223   HD22  LEU  31          HD22      LEU  31  -2.564  18.709  -7.730
  224   HD23  LEU  31          HD23      LEU  31  -4.003  17.866  -7.152
  225    H    THR  32           H        THR  32  -4.257  14.584  -3.165
  226    HA   THR  32           HA       THR  32  -6.563  13.356  -4.472
  227    HB   THR  32           HB       THR  32  -4.703  11.867  -4.005
  228    HG1  THR  32           HG1      THR  32  -6.877  11.061  -3.758
  229   HG21  THR  32          HG21      THR  32  -4.976  11.821  -1.103
  230   HG22  THR  32          HG22      THR  32  -4.361  13.358  -1.709
  231   HG23  THR  32          HG23      THR  32  -3.523  11.857  -2.100
  232    H    LEU  33           H        LEU  33  -5.592  14.772  -1.402
  233    HA   LEU  33           HA       LEU  33  -8.394  14.592  -0.505
  234    HB2  LEU  33           HB2      LEU  33  -6.360  13.397   0.742
  235    HB3  LEU  33           HB3      LEU  33  -6.227  14.993   1.478
  236    HG   LEU  33           HG       LEU  33  -8.515  13.048   1.651
  237   HD11  LEU  33          HD11      LEU  33  -6.998  12.542   3.322
  238   HD12  LEU  33          HD12      LEU  33  -8.098  13.657   4.132
  239   HD13  LEU  33          HD13      LEU  33  -6.533  14.228   3.554
  240   HD21  LEU  33          HD21      LEU  33  -9.763  14.749   2.856
  241   HD22  LEU  33          HD22      LEU  33  -9.416  15.289   1.213
  242   HD23  LEU  33          HD23      LEU  33  -8.478  15.923   2.566
  243    HN1  NH2  34           HN1      NH2  34  -8.754  16.973  -1.528
  244    HN2  NH2  34           HN2      NH2  34  -7.230  17.781  -1.625
  Start of MODEL    8
    1    H1   PCA   1           H1       PCA   1   3.216   4.907   3.267
    2    HA   PCA   1           HA       PCA   1   5.479   5.767   2.114
    3    HB2  PCA   1           HB2      PCA   1   7.335   5.185   3.495
    4    HB3  PCA   1           HB3      PCA   1   6.397   3.989   4.407
    5    HG2  PCA   1           HG2      PCA   1   6.051   7.032   4.450
    6    HG3  PCA   1           HG3      PCA   1   6.152   5.930   5.838
    7    HA   PRO   2           HA       PRO   2   3.403   1.963   0.587
    8    HB2  PRO   2           HB2      PRO   2   2.611   3.098  -1.749
    9    HB3  PRO   2           HB3      PRO   2   1.654   3.186  -0.266
   10    HG2  PRO   2           HG2      PRO   2   3.490   5.227  -1.459
   11    HG3  PRO   2           HG3      PRO   2   1.889   5.452  -0.731
   12    HD2  PRO   2           HD2      PRO   2   4.183   5.987   0.603
   13    HD3  PRO   2           HD3      PRO   2   2.719   5.400   1.418
   14    H    LEU   3           H        LEU   3   4.103   0.607  -1.095
   15    HA   LEU   3           HA       LEU   3   6.822   0.941  -1.866
   16    HB2  LEU   3           HB2      LEU   3   6.746  -1.228  -2.472
   17    HB3  LEU   3           HB3      LEU   3   5.270  -1.201  -1.509
   18    HG   LEU   3           HG       LEU   3   4.382  -0.531  -4.030
   19   HD11  LEU   3          HD11      LEU   3   5.344  -2.020  -5.598
   20   HD12  LEU   3          HD12      LEU   3   6.325  -2.803  -4.360
   21   HD13  LEU   3          HD13      LEU   3   6.682  -1.147  -4.851
   22   HD21  LEU   3          HD21      LEU   3   3.992  -3.234  -3.899
   23   HD22  LEU   3          HD22      LEU   3   2.983  -2.019  -3.114
   24   HD23  LEU   3          HD23      LEU   3   4.271  -2.814  -2.209
   25    HA   PRO   4           HA       PRO   4   6.514   2.939  -5.761
   26    HB2  PRO   4           HB2      PRO   4   8.454   1.684  -7.186
   27    HB3  PRO   4           HB3      PRO   4   8.806   2.824  -5.882
   28    HG2  PRO   4           HG2      PRO   4   8.788  -0.169  -5.828
   29    HG3  PRO   4           HG3      PRO   4   9.955   0.956  -5.109
   30    HD2  PRO   4           HD2      PRO   4   8.008  -0.248  -3.661
   31    HD3  PRO   4           HD3      PRO   4   8.612   1.379  -3.284
   32    H    ASP   5           H        ASP   5   5.791   2.723  -7.911
   33    HA   ASP   5           HA       ASP   5   4.323   0.247  -8.407
   34    HB2  ASP   5           HB2      ASP   5   3.408   1.728 -10.361
   35    HB3  ASP   5           HB3      ASP   5   2.866   2.025  -8.711
   36    H    CYS   6           H        CYS   6   6.609   2.414 -10.049
   37    HA   CYS   6           HA       CYS   6   6.873   0.980 -12.426
   38    HB2  CYS   6           HB2      CYS   6   8.896   2.689 -10.966
   39    HB3  CYS   6           HB3      CYS   6   9.094   2.112 -12.618
   40    H    CYS   7           H        CYS   7   8.245   0.431  -9.272
   41    HA   CYS   7           HA       CYS   7  10.279  -1.386 -10.099
   42    HB2  CYS   7           HB2      CYS   7   9.479  -0.159  -7.687
   43    HB3  CYS   7           HB3      CYS   7   9.385  -1.895  -7.411
   44    H    ARG   8           H        ARG   8   6.889  -1.668  -9.402
   45    HA   ARG   8           HA       ARG   8   6.920  -4.531  -9.106
   46    HB2  ARG   8           HB2      ARG   8   5.177  -3.463  -7.941
   47    HB3  ARG   8           HB3      ARG   8   4.747  -2.465  -9.323
   48    HG2  ARG   8           HG2      ARG   8   3.425  -4.045 -10.223
   49    HG3  ARG   8           HG3      ARG   8   4.491  -5.364  -9.735
   50    HD2  ARG   8           HD2      ARG   8   3.234  -4.030  -7.475
   51    HD3  ARG   8           HD3      ARG   8   2.062  -4.722  -8.596
   52    HE   ARG   8           HE       ARG   8   3.843  -6.147  -6.855
   53   HH11  ARG   8          HH11      ARG   8   2.023  -6.303  -9.819
   54   HH12  ARG   8          HH12      ARG   8   1.912  -8.032  -9.812
   55   HH21  ARG   8          HH21      ARG   8   3.704  -8.423  -6.835
   56   HH22  ARG   8          HH22      ARG   8   2.868  -9.237  -8.114
   57    H    GLN   9           H        GLN   9   6.115  -2.224 -11.658
   58    HA   GLN   9           HA       GLN   9   5.614  -4.435 -13.511
   59    HB2  GLN   9           HB2      GLN   9   5.274  -1.486 -14.046
   60    HB3  GLN   9           HB3      GLN   9   4.619  -2.826 -14.977
   61    HG2  GLN   9           HG2      GLN   9   3.585  -3.274 -12.482
   62    HG3  GLN   9           HG3      GLN   9   3.584  -1.515 -12.593
   63   HE21  GLN   9          HE21      GLN   9   2.463  -4.473 -14.102
   64   HE22  GLN   9          HE22      GLN   9   1.134  -3.762 -14.948
   65    H    LYS  10           H        LYS  10   8.148  -2.572 -12.492
   66    HA   LYS  10           HA       LYS  10  10.197  -2.021 -13.327
   67    HB2  LYS  10           HB2      LYS  10  10.059  -4.137 -15.399
   68    HB3  LYS  10           HB3      LYS  10  11.320  -3.795 -14.222
   69    HG2  LYS  10           HG2      LYS  10   9.314  -4.637 -12.604
   70    HG3  LYS  10           HG3      LYS  10   9.018  -5.600 -14.054
   71    HD2  LYS  10           HD2      LYS  10  10.510  -6.979 -13.036
   72    HD3  LYS  10           HD3      LYS  10  11.659  -5.933 -13.874
   73    HE2  LYS  10           HE2      LYS  10  10.827  -4.909 -11.268
   74    HE3  LYS  10           HE3      LYS  10  11.644  -6.469 -11.182
   75    HZ1  LYS  10           HZ1      LYS  10  13.302  -5.263 -12.793
   76    HZ2  LYS  10           HZ2      LYS  10  13.421  -5.072 -11.117
   77    HZ3  LYS  10           HZ3      LYS  10  12.681  -3.874 -12.053
   78    H    THR  11           H        THR  11   8.212  -0.456 -14.400
   79    HA   THR  11           HA       THR  11   8.897  -0.248 -17.254
   80    HB   THR  11           HB       THR  11   6.862   0.796 -17.670
   81    HG1  THR  11           HG1      THR  11   6.199   1.192 -14.968
   82   HG21  THR  11          HG21      THR  11   5.144  -0.475 -16.169
   83   HG22  THR  11          HG22      THR  11   6.579  -1.290 -15.545
   84   HG23  THR  11          HG23      THR  11   6.189  -1.380 -17.263
   85    H    CYS  12           H        CYS  12   9.973   0.917 -14.449
   86    HA   CYS  12           HA       CYS  12  11.381   3.064 -15.531
   87    HB2  CYS  12           HB2      CYS  12   9.967   4.720 -13.859
   88    HB3  CYS  12           HB3      CYS  12   9.792   4.658 -15.610
   89    H    SER  13           H        SER  13  12.246   4.550 -13.674
   90    HA   SER  13           HA       SER  13  13.487   2.843 -11.785
   91    HB2  SER  13           HB2      SER  13  13.687   5.623 -12.604
   92    HB3  SER  13           HB3      SER  13  13.844   5.451 -10.856
   93    HG   SER  13           HG       SER  13  15.776   5.168 -12.396
   94    H    CYS  14           H        CYS  14  13.289   2.778  -9.528
   95    HA   CYS  14           HA       CYS  14  10.661   3.659  -8.531
   96    HB2  CYS  14           HB2      CYS  14  11.914   1.715  -6.822
   97    HB3  CYS  14           HB3      CYS  14  10.384   1.607  -7.687
   98    H    ARG  15           H        ARG  15  13.525   4.896  -8.571
   99    HA   ARG  15           HA       ARG  15  13.808   5.386  -5.694
  100    HB2  ARG  15           HB2      ARG  15  15.751   4.736  -7.337
  101    HB3  ARG  15           HB3      ARG  15  15.713   6.446  -7.745
  102    HG2  ARG  15           HG2      ARG  15  15.737   6.523  -5.019
  103    HG3  ARG  15           HG3      ARG  15  16.729   5.104  -5.360
  104    HD2  ARG  15           HD2      ARG  15  17.538   7.062  -7.193
  105    HD3  ARG  15           HD3      ARG  15  17.367   7.894  -5.648
  106    HE   ARG  15           HE       ARG  15  18.767   5.607  -5.079
  107   HH11  ARG  15          HH11      ARG  15  19.193   8.334  -7.201
  108   HH12  ARG  15          HH12      ARG  15  20.924   8.274  -7.145
  109   HH21  ARG  15          HH21      ARG  15  21.045   5.518  -4.997
  110   HH22  ARG  15          HH22      ARG  15  21.976   6.671  -5.891
  111    H    LEU  16           H        LEU  16  12.485   6.764  -8.468
  112    HA   LEU  16           HA       LEU  16  12.928   9.521  -7.853
  113    HB2  LEU  16           HB2      LEU  16  11.578  10.010  -9.684
  114    HB3  LEU  16           HB3      LEU  16  12.358   8.490 -10.116
  115    HG   LEU  16           HG       LEU  16   9.587   8.582  -8.955
  116   HD11  LEU  16          HD11      LEU  16   9.049   9.749 -10.812
  117   HD12  LEU  16          HD12      LEU  16   9.123   8.153 -11.558
  118   HD13  LEU  16          HD13      LEU  16  10.499   9.249 -11.683
  119   HD21  LEU  16          HD21      LEU  16   9.771   6.472 -10.676
  120   HD22  LEU  16          HD22      LEU  16  10.014   6.384  -8.931
  121   HD23  LEU  16          HD23      LEU  16  11.402   6.544 -10.009
  122    H    TYR  17           H        TYR  17  10.330   7.208  -7.257
  123    HA   TYR  17           HA       TYR  17   8.408   8.975  -6.263
  124    HB2  TYR  17           HB2      TYR  17   7.235   7.105  -5.592
  125    HB3  TYR  17           HB3      TYR  17   8.317   6.396  -6.785
  126    HD1  TYR  17           HD1      TYR  17  10.752   5.822  -5.592
  127    HD2  TYR  17           HD2      TYR  17   6.926   5.793  -3.732
  128    HE1  TYR  17           HE1      TYR  17  11.595   4.250  -3.899
  129    HE2  TYR  17           HE2      TYR  17   7.758   4.221  -2.033
  130    HH   TYR  17           HH       TYR  17  10.366   3.733  -1.096
  131    H    GLU  18           H        GLU  18  11.155   7.433  -4.697
  132    HA   GLU  18           HA       GLU  18  10.527   8.022  -2.036
  133    HB2  GLU  18           HB2      GLU  18  12.682   7.371  -1.519
  134    HB3  GLU  18           HB3      GLU  18  12.452   6.588  -3.076
  135    HG2  GLU  18           HG2      GLU  18  14.464   7.506  -3.488
  136    HG3  GLU  18           HG3      GLU  18  13.476   8.900  -3.922
  137    H    LEU  19           H        LEU  19  11.947   9.984  -4.565
  138    HA   LEU  19           HA       LEU  19  12.927  12.080  -2.965
  139    HB2  LEU  19           HB2      LEU  19  12.034  11.917  -5.824
  140    HB3  LEU  19           HB3      LEU  19  12.579  13.436  -5.116
  141    HG   LEU  19           HG       LEU  19  14.702  12.011  -4.497
  142   HD11  LEU  19          HD11      LEU  19  14.865   9.992  -5.393
  143   HD12  LEU  19          HD12      LEU  19  14.553  10.642  -7.002
  144   HD13  LEU  19          HD13      LEU  19  13.207  10.144  -5.977
  145   HD21  LEU  19          HD21      LEU  19  15.686  12.668  -6.690
  146   HD22  LEU  19          HD22      LEU  19  14.807  13.963  -5.877
  147   HD23  LEU  19          HD23      LEU  19  14.066  13.109  -7.230
  148    H    LEU  20           H        LEU  20   9.844  11.772  -4.725
  149    HA   LEU  20           HA       LEU  20   8.771  14.195  -3.686
  150    HB2  LEU  20           HB2      LEU  20   7.179  11.887  -4.766
  151    HB3  LEU  20           HB3      LEU  20   6.754  13.598  -4.766
  152    HG   LEU  20           HG       LEU  20   9.190  13.126  -6.251
  153   HD11  LEU  20          HD11      LEU  20   6.799  11.442  -6.878
  154   HD12  LEU  20          HD12      LEU  20   8.507  11.005  -6.879
  155   HD13  LEU  20          HD13      LEU  20   7.856  12.019  -8.167
  156   HD21  LEU  20          HD21      LEU  20   7.792  15.138  -6.378
  157   HD22  LEU  20          HD22      LEU  20   6.480  14.176  -7.058
  158   HD23  LEU  20          HD23      LEU  20   7.987  14.372  -7.955
  159    H    HIS  21           H        HIS  21   8.317  10.770  -2.877
  160    HA   HIS  21           HA       HIS  21   6.418  11.211  -0.824
  161    HB2  HIS  21           HB2      HIS  21   8.016   8.942  -1.821
  162    HB3  HIS  21           HB3      HIS  21   7.573   8.847  -0.120
  163    HD1  HIS  21           HD1      HIS  21   5.325   7.913   0.350
  164    HD2  HIS  21           HD2      HIS  21   5.635   9.336  -3.541
  165    HE1  HIS  21           HE1      HIS  21   3.157   7.298  -0.765
  166    H    GLY  22           H        GLY  22   9.741  11.810  -0.977
  167    HA2  GLY  22           HA2      GLY  22  10.059  11.620   1.940
  168    HA3  GLY  22           HA3      GLY  22  11.367  11.776   0.777
  169    H    ALA  23           H        ALA  23  10.413  13.922  -0.733
  170    HA   ALA  23           HA       ALA  23  10.995  16.095   1.092
  171    HB1  ALA  23           HB1      ALA  23  10.368  16.837  -1.656
  172    HB2  ALA  23           HB2      ALA  23  11.815  17.152  -0.697
  173    HB3  ALA  23           HB3      ALA  23  11.630  15.611  -1.534
  174    H    GLY  24           H        GLY  24   8.240  14.522   0.315
  175    HA2  GLY  24           HA2      GLY  24   6.407  16.019   1.551
  176    HA3  GLY  24           HA3      GLY  24   6.524  16.852   0.008
  177    H    ASN  25           H        ASN  25   5.779  13.748   1.520
  178    HA   ASN  25           HA       ASN  25   4.794  12.499  -0.822
  179    HB2  ASN  25           HB2      ASN  25   5.372  11.036   0.926
  180    HB3  ASN  25           HB3      ASN  25   4.466  11.961   2.120
  181   HD21  ASN  25          HD21      ASN  25   2.900  10.719   2.847
  182   HD22  ASN  25          HD22      ASN  25   1.819   9.778   1.882
  183    H    HIS  26           H        HIS  26   3.379  14.648   1.528
  184    HA   HIS  26           HA       HIS  26   0.660  14.160   0.995
  185    HB2  HIS  26           HB2      HIS  26   2.000  16.712   1.913
  186    HB3  HIS  26           HB3      HIS  26   0.270  16.389   1.988
  187    HD1  HIS  26           HD1      HIS  26   3.134  16.343   4.065
  188    HD2  HIS  26           HD2      HIS  26  -0.164  13.855   3.624
  189    HE1  HIS  26           HE1      HIS  26   3.000  15.020   6.199
  190    H    ALA  27           H        ALA  27   3.081  16.005  -0.691
  191    HA   ALA  27           HA       ALA  27   1.490  17.708  -2.215
  192    HB1  ALA  27           HB1      ALA  27   3.812  16.526  -3.592
  193    HB2  ALA  27           HB2      ALA  27   3.387  18.217  -3.323
  194    HB3  ALA  27           HB3      ALA  27   4.141  17.281  -2.032
  195    H    ALA  28           H        ALA  28   2.273  14.308  -2.665
  196    HA   ALA  28           HA       ALA  28   0.937  14.198  -5.237
  197    HB1  ALA  28           HB1      ALA  28   2.187  12.030  -3.554
  198    HB2  ALA  28           HB2      ALA  28   1.519  11.800  -5.171
  199    HB3  ALA  28           HB3      ALA  28   2.917  12.849  -4.935
  200    H    GLY  29           H        GLY  29   0.287  13.400  -1.891
  201    HA2  GLY  29           HA2      GLY  29  -1.965  11.743  -2.306
  202    HA3  GLY  29           HA3      GLY  29  -1.598  12.626  -0.832
  203    H    ILE  30           H        ILE  30  -1.629  15.241  -1.986
  204    HA   ILE  30           HA       ILE  30  -4.512  15.607  -2.112
  205    HB   ILE  30           HB       ILE  30  -2.289  17.648  -1.968
  206   HG12  ILE  30          HG12      ILE  30  -2.547  16.204   0.045
  207   HG13  ILE  30          HG13      ILE  30  -2.907  17.897   0.360
  208   HG21  ILE  30          HG21      ILE  30  -4.929  17.998  -2.792
  209   HG22  ILE  30          HG22      ILE  30  -4.890  18.557  -1.120
  210   HG23  ILE  30          HG23      ILE  30  -3.788  19.253  -2.309
  211   HD11  ILE  30          HD11      ILE  30  -4.920  17.371   1.099
  212   HD12  ILE  30          HD12      ILE  30  -5.298  16.522  -0.400
  213   HD13  ILE  30          HD13      ILE  30  -4.498  15.668   0.919
  214    H    LEU  31           H        LEU  31  -1.651  16.154  -4.101
  215    HA   LEU  31           HA       LEU  31  -2.768  17.641  -6.159
  216    HB2  LEU  31           HB2      LEU  31  -0.507  15.709  -5.982
  217    HB3  LEU  31           HB3      LEU  31  -1.018  16.277  -7.570
  218    HG   LEU  31           HG       LEU  31  -0.238  18.149  -5.345
  219   HD11  LEU  31          HD11      LEU  31   1.932  17.838  -5.728
  220   HD12  LEU  31          HD12      LEU  31   1.703  17.833  -7.476
  221   HD13  LEU  31          HD13      LEU  31   1.476  16.348  -6.553
  222   HD21  LEU  31          HD21      LEU  31  -1.338  19.432  -6.889
  223   HD22  LEU  31          HD22      LEU  31  -0.891  18.391  -8.240
  224   HD23  LEU  31          HD23      LEU  31   0.299  19.491  -7.542
  225    H    THR  32           H        THR  32  -2.854  14.172  -5.581
  226    HA   THR  32           HA       THR  32  -4.345  13.736  -8.056
  227    HB   THR  32           HB       THR  32  -2.594  12.122  -7.586
  228    HG1  THR  32           HG1      THR  32  -3.834  10.506  -8.223
  229   HG21  THR  32          HG21      THR  32  -3.884  10.813  -5.323
  230   HG22  THR  32          HG22      THR  32  -3.307  12.435  -4.940
  231   HG23  THR  32          HG23      THR  32  -2.189  11.228  -5.572
  232    H    LEU  33           H        LEU  33  -4.747  13.617  -4.564
  233    HA   LEU  33           HA       LEU  33  -7.451  14.186  -4.555
  234    HB2  LEU  33           HB2      LEU  33  -6.892  11.441  -5.208
  235    HB3  LEU  33           HB3      LEU  33  -7.771  11.541  -3.683
  236    HG   LEU  33           HG       LEU  33  -8.802  13.051  -6.038
  237   HD11  LEU  33          HD11      LEU  33  -8.737  11.131  -7.231
  238   HD12  LEU  33          HD12      LEU  33 -10.191  10.783  -6.296
  239   HD13  LEU  33          HD13      LEU  33  -8.639  10.110  -5.796
  240   HD21  LEU  33          HD21      LEU  33 -10.061  13.473  -4.147
  241   HD22  LEU  33          HD22      LEU  33  -9.884  11.829  -3.533
  242   HD23  LEU  33          HD23      LEU  33 -10.954  12.151  -4.898
  243    HN1  NH2  34           HN1      NH2  34  -5.396  11.836  -2.442
  244    HN2  NH2  34           HN2      NH2  34  -6.853  11.911  -1.518
  Start of MODEL    9
    1    H1   PCA   1           H1       PCA   1   1.542  -0.942   1.473
    2    HA   PCA   1           HA       PCA   1   0.481   0.782  -0.285
    3    HB2  PCA   1           HB2      PCA   1   1.908   2.682  -0.483
    4    HB3  PCA   1           HB3      PCA   1   3.285   1.836   0.247
    5    HG2  PCA   1           HG2      PCA   1   0.692   2.692   1.637
    6    HG3  PCA   1           HG3      PCA   1   2.358   2.942   2.195
    7    HA   PRO   2           HA       PRO   2   2.015  -2.050  -3.159
    8    HB2  PRO   2           HB2      PRO   2   2.136  -0.541  -5.413
    9    HB3  PRO   2           HB3      PRO   2   0.611  -1.063  -4.687
   10    HG2  PRO   2           HG2      PRO   2   2.010   1.574  -4.466
   11    HG3  PRO   2           HG3      PRO   2   0.285   1.239  -4.704
   12    HD2  PRO   2           HD2      PRO   2   1.321   1.895  -2.290
   13    HD3  PRO   2           HD3      PRO   2  -0.069   0.805  -2.468
   14    H    LEU   3           H        LEU   3   3.850  -2.736  -4.294
   15    HA   LEU   3           HA       LEU   3   6.292  -1.350  -3.570
   16    HB2  LEU   3           HB2      LEU   3   7.208  -3.372  -3.583
   17    HB3  LEU   3           HB3      LEU   3   5.582  -4.005  -3.836
   18    HG   LEU   3           HG       LEU   3   7.397  -3.277  -6.122
   19   HD11  LEU   3          HD11      LEU   3   8.346  -5.022  -4.494
   20   HD12  LEU   3          HD12      LEU   3   8.261  -5.437  -6.205
   21   HD13  LEU   3          HD13      LEU   3   7.055  -6.068  -5.085
   22   HD21  LEU   3          HD21      LEU   3   4.943  -5.007  -5.854
   23   HD22  LEU   3          HD22      LEU   3   5.935  -4.897  -7.308
   24   HD23  LEU   3          HD23      LEU   3   5.077  -3.474  -6.715
   25    HA   PRO   4           HA       PRO   4   7.301   0.425  -7.454
   26    HB2  PRO   4           HB2      PRO   4   9.914  -0.225  -7.800
   27    HB3  PRO   4           HB3      PRO   4   9.368   0.955  -6.602
   28    HG2  PRO   4           HG2      PRO   4  10.098  -1.924  -6.228
   29    HG3  PRO   4           HG3      PRO   4  10.511  -0.525  -5.221
   30    HD2  PRO   4           HD2      PRO   4   8.514  -2.238  -4.585
   31    HD3  PRO   4           HD3      PRO   4   8.457  -0.512  -4.175
   32    H    ASP   5           H        ASP   5   7.038  -0.053  -9.557
   33    HA   ASP   5           HA       ASP   5   6.855  -2.812 -10.355
   34    HB2  ASP   5           HB2      ASP   5   6.704  -0.692 -12.418
   35    HB3  ASP   5           HB3      ASP   5   5.635  -2.060 -12.125
   36    H    CYS   6           H        CYS   6   8.887  -0.037 -11.239
   37    HA   CYS   6           HA       CYS   6  10.428  -1.281 -13.201
   38    HB2  CYS   6           HB2      CYS   6  11.501   0.781 -11.279
   39    HB3  CYS   6           HB3      CYS   6  11.966   0.515 -12.957
   40    H    CYS   7           H        CYS   7  10.597  -1.455  -9.723
   41    HA   CYS   7           HA       CYS   7  13.206  -2.578  -9.559
   42    HB2  CYS   7           HB2      CYS   7  11.354  -1.609  -7.744
   43    HB3  CYS   7           HB3      CYS   7  11.388  -3.336  -7.402
   44    H    ARG   8           H        ARG   8  10.039  -3.868 -10.161
   45    HA   ARG   8           HA       ARG   8  10.765  -6.600  -9.617
   46    HB2  ARG   8           HB2      ARG   8   8.485  -6.126  -9.279
   47    HB3  ARG   8           HB3      ARG   8   8.348  -5.267 -10.807
   48    HG2  ARG   8           HG2      ARG   8   8.417  -7.287 -12.049
   49    HG3  ARG   8           HG3      ARG   8   8.879  -8.219 -10.623
   50    HD2  ARG   8           HD2      ARG   8   6.607  -7.219  -9.696
   51    HD3  ARG   8           HD3      ARG   8   6.229  -7.133 -11.416
   52    HE   ARG   8           HE       ARG   8   7.247  -9.689 -10.616
   53   HH11  ARG   8          HH11      ARG   8   4.397  -7.700 -10.812
   54   HH12  ARG   8          HH12      ARG   8   3.303  -9.043 -10.857
   55   HH21  ARG   8          HH21      ARG   8   5.818 -11.466 -10.674
   56   HH22  ARG   8          HH22      ARG   8   4.113 -11.185 -10.778
   57    H    GLN   9           H        GLN   9  10.375  -4.565 -12.477
   58    HA   GLN   9           HA       GLN   9  11.256  -6.774 -14.184
   59    HB2  GLN   9           HB2      GLN   9  10.327  -4.034 -15.044
   60    HB3  GLN   9           HB3      GLN   9  10.506  -5.465 -16.051
   61    HG2  GLN   9           HG2      GLN   9   8.762  -6.311 -14.115
   62    HG3  GLN   9           HG3      GLN   9   8.292  -4.629 -14.357
   63   HE21  GLN   9          HE21      GLN   9   6.466  -6.421 -14.995
   64   HE22  GLN   9          HE22      GLN   9   6.317  -6.608 -16.706
   65    H    LYS  10           H        LYS  10  12.595  -4.305 -12.451
   66    HA   LYS  10           HA       LYS  10  14.571  -3.168 -12.503
   67    HB2  LYS  10           HB2      LYS  10  15.641  -5.325 -14.297
   68    HB3  LYS  10           HB3      LYS  10  16.462  -4.454 -13.009
   69    HG2  LYS  10           HG2      LYS  10  14.147  -6.205 -12.335
   70    HG3  LYS  10           HG3      LYS  10  15.719  -6.931 -12.677
   71    HD2  LYS  10           HD2      LYS  10  15.436  -4.675 -10.718
   72    HD3  LYS  10           HD3      LYS  10  15.149  -6.349 -10.236
   73    HE2  LYS  10           HE2      LYS  10  17.336  -6.603  -9.954
   74    HE3  LYS  10           HE3      LYS  10  17.562  -6.335 -11.682
   75    HZ1  LYS  10           HZ1      LYS  10  18.707  -4.818  -9.879
   76    HZ2  LYS  10           HZ2      LYS  10  17.241  -3.982  -9.981
   77    HZ3  LYS  10           HZ3      LYS  10  18.191  -4.193 -11.364
   78    H    THR  11           H        THR  11  12.777  -2.207 -14.360
   79    HA   THR  11           HA       THR  11  14.413  -1.685 -16.750
   80    HB   THR  11           HB       THR  11  12.494  -1.296 -17.991
   81    HG1  THR  11           HG1      THR  11  11.283   0.134 -16.919
   82   HG21  THR  11          HG21      THR  11  10.760  -3.051 -17.143
   83   HG22  THR  11          HG22      THR  11  11.997  -3.420 -15.942
   84   HG23  THR  11          HG23      THR  11  12.359  -3.584 -17.660
   85    H    CYS  12           H        CYS  12  13.413  -0.319 -13.846
   86    HA   CYS  12           HA       CYS  12  14.596   2.203 -14.483
   87    HB2  CYS  12           HB2      CYS  12  12.799   3.417 -15.017
   88    HB3  CYS  12           HB3      CYS  12  11.820   1.954 -14.972
   89    H    SER  13           H        SER  13  14.269   3.768 -12.560
   90    HA   SER  13           HA       SER  13  15.202   2.494 -10.238
   91    HB2  SER  13           HB2      SER  13  14.285   5.268 -10.891
   92    HB3  SER  13           HB3      SER  13  14.542   4.829  -9.203
   93    HG   SER  13           HG       SER  13  16.362   5.604 -10.862
   94    H    CYS  14           H        CYS  14  14.247   2.091  -8.246
   95    HA   CYS  14           HA       CYS  14  11.408   1.516  -8.367
   96    HB2  CYS  14           HB2      CYS  14  12.937   1.062  -5.862
   97    HB3  CYS  14           HB3      CYS  14  11.766   0.025  -6.671
   98    H    ARG  15           H        ARG  15  13.589   3.723  -6.743
   99    HA   ARG  15           HA       ARG  15  11.719   4.695  -4.836
  100    HB2  ARG  15           HB2      ARG  15  14.208   4.916  -4.660
  101    HB3  ARG  15           HB3      ARG  15  14.143   6.122  -5.938
  102    HG2  ARG  15           HG2      ARG  15  13.118   7.690  -4.591
  103    HG3  ARG  15           HG3      ARG  15  12.486   6.473  -3.480
  104    HD2  ARG  15           HD2      ARG  15  14.404   6.378  -2.282
  105    HD3  ARG  15           HD3      ARG  15  15.424   6.639  -3.695
  106    HE   ARG  15           HE       ARG  15  14.486   8.619  -1.874
  107   HH11  ARG  15          HH11      ARG  15  15.335   8.061  -5.204
  108   HH12  ARG  15          HH12      ARG  15  15.747   9.715  -5.512
  109   HH21  ARG  15          HH21      ARG  15  15.027  10.800  -2.267
  110   HH22  ARG  15          HH22      ARG  15  15.572  11.272  -3.841
  111    H    LEU  16           H        LEU  16  11.624   4.891  -8.095
  112    HA   LEU  16           HA       LEU  16  11.100   7.548  -8.719
  113    HB2  LEU  16           HB2      LEU  16  10.490   6.773 -10.740
  114    HB3  LEU  16           HB3      LEU  16  11.161   5.264 -10.124
  115    HG   LEU  16           HG       LEU  16   8.234   5.935  -9.929
  116   HD11  LEU  16          HD11      LEU  16   9.807   5.106 -12.250
  117   HD12  LEU  16          HD12      LEU  16   8.184   5.789 -12.161
  118   HD13  LEU  16          HD13      LEU  16   8.429   4.062 -11.901
  119   HD21  LEU  16          HD21      LEU  16   8.905   3.163 -10.179
  120   HD22  LEU  16          HD22      LEU  16   8.078   3.996  -8.862
  121   HD23  LEU  16          HD23      LEU  16   9.839   3.885  -8.868
  122    H    TYR  17           H        TYR  17   9.040   5.118  -7.249
  123    HA   TYR  17           HA       TYR  17   6.607   6.561  -7.478
  124    HB2  TYR  17           HB2      TYR  17   5.709   4.952  -5.905
  125    HB3  TYR  17           HB3      TYR  17   6.733   4.115  -7.067
  126    HD1  TYR  17           HD1      TYR  17   6.829   5.610  -3.652
  127    HD2  TYR  17           HD2      TYR  17   8.387   2.672  -6.306
  128    HE1  TYR  17           HE1      TYR  17   8.118   4.630  -1.801
  129    HE2  TYR  17           HE2      TYR  17   9.680   1.683  -4.462
  130    HH   TYR  17           HH       TYR  17  10.536   2.217  -2.320
  131    H    GLU  18           H        GLU  18   9.122   6.394  -5.014
  132    HA   GLU  18           HA       GLU  18   7.804   7.788  -2.975
  133    HB2  GLU  18           HB2      GLU  18  10.581   7.066  -3.618
  134    HB3  GLU  18           HB3      GLU  18  10.419   8.512  -2.633
  135    HG2  GLU  18           HG2      GLU  18   8.713   6.818  -1.374
  136    HG3  GLU  18           HG3      GLU  18   9.950   5.705  -1.955
  137    H    LEU  19           H        LEU  19   9.505   8.909  -5.824
  138    HA   LEU  19           HA       LEU  19   9.911  11.575  -5.187
  139    HB2  LEU  19           HB2      LEU  19   9.440  10.091  -7.723
  140    HB3  LEU  19           HB3      LEU  19   9.410  11.853  -7.761
  141    HG   LEU  19           HG       LEU  19  11.739  11.551  -6.530
  142   HD11  LEU  19          HD11      LEU  19  11.069   8.890  -7.237
  143   HD12  LEU  19          HD12      LEU  19  12.551   9.492  -6.495
  144   HD13  LEU  19          HD13      LEU  19  12.420   9.400  -8.251
  145   HD21  LEU  19          HD21      LEU  19  11.670  12.789  -8.503
  146   HD22  LEU  19          HD22      LEU  19  11.090  11.422  -9.455
  147   HD23  LEU  19          HD23      LEU  19  12.760  11.456  -8.888
  148    H    LEU  20           H        LEU  20   7.083  10.149  -6.824
  149    HA   LEU  20           HA       LEU  20   5.597  12.606  -6.643
  150    HB2  LEU  20           HB2      LEU  20   4.363   9.951  -7.249
  151    HB3  LEU  20           HB3      LEU  20   3.937  11.545  -7.868
  152    HG   LEU  20           HG       LEU  20   6.602  10.787  -8.691
  153   HD11  LEU  20          HD11      LEU  20   4.362   8.859  -9.198
  154   HD12  LEU  20          HD12      LEU  20   6.010   8.529  -8.666
  155   HD13  LEU  20          HD13      LEU  20   5.705   9.037 -10.327
  156   HD21  LEU  20          HD21      LEU  20   4.050  11.423 -10.167
  157   HD22  LEU  20          HD22      LEU  20   5.643  11.282 -10.911
  158   HD23  LEU  20          HD23      LEU  20   5.329  12.557  -9.733
  159    H    HIS  21           H        HIS  21   5.797   9.601  -4.859
  160    HA   HIS  21           HA       HIS  21   3.432   9.877  -3.347
  161    HB2  HIS  21           HB2      HIS  21   5.865   8.217  -3.240
  162    HB3  HIS  21           HB3      HIS  21   5.079   8.475  -1.685
  163    HD1  HIS  21           HD1      HIS  21   3.659   6.525  -1.188
  164    HD2  HIS  21           HD2      HIS  21   3.520   7.538  -5.215
  165    HE1  HIS  21           HE1      HIS  21   2.026   4.920  -2.229
  166    H    GLY  22           H        GLY  22   6.447  11.497  -3.204
  167    HA2  GLY  22           HA2      GLY  22   5.718  12.622  -0.569
  168    HA3  GLY  22           HA3      GLY  22   7.379  12.404  -1.098
  169    H    ALA  23           H        ALA  23   7.438  13.414  -3.587
  170    HA   ALA  23           HA       ALA  23   7.127  16.250  -3.082
  171    HB1  ALA  23           HB1      ALA  23   8.062  15.765  -5.719
  172    HB2  ALA  23           HB2      ALA  23   8.957  16.377  -4.327
  173    HB3  ALA  23           HB3      ALA  23   8.877  14.641  -4.630
  174    H    GLY  24           H        GLY  24   5.030  14.000  -4.076
  175    HA2  GLY  24           HA2      GLY  24   3.657  15.890  -5.884
  176    HA3  GLY  24           HA3      GLY  24   3.682  14.163  -6.204
  177    H    ASN  25           H        ASN  25   3.379  13.451  -3.382
  178    HA   ASN  25           HA       ASN  25   0.542  13.410  -3.283
  179    HB2  ASN  25           HB2      ASN  25   2.008  11.620  -2.353
  180    HB3  ASN  25           HB3      ASN  25   2.495  12.730  -1.075
  181   HD21  ASN  25          HD21      ASN  25   1.227  12.973   0.667
  182   HD22  ASN  25          HD22      ASN  25  -0.295  12.185   0.890
  183    H    HIS  26           H        HIS  26   3.006  15.375  -1.750
  184    HA   HIS  26           HA       HIS  26   1.408  16.569   0.234
  185    HB2  HIS  26           HB2      HIS  26   4.065  16.738  -0.569
  186    HB3  HIS  26           HB3      HIS  26   3.433  18.357  -0.854
  187    HD1  HIS  26           HD1      HIS  26   3.954  19.789   1.079
  188    HD2  HIS  26           HD2      HIS  26   3.002  15.919   2.252
  189    HE1  HIS  26           HE1      HIS  26   4.063  19.802   3.592
  190    H    ALA  27           H        ALA  27   1.746  17.172  -3.177
  191    HA   ALA  27           HA       ALA  27   0.768  19.773  -3.359
  192    HB1  ALA  27           HB1      ALA  27  -0.170  18.030  -5.499
  193    HB2  ALA  27           HB2      ALA  27   0.901  19.431  -5.562
  194    HB3  ALA  27           HB3      ALA  27   1.549  17.844  -5.148
  195    H    ALA  28           H        ALA  28  -0.939  16.713  -3.022
  196    HA   ALA  28           HA       ALA  28  -3.535  17.972  -3.313
  197    HB1  ALA  28           HB1      ALA  28  -4.258  15.569  -2.591
  198    HB2  ALA  28           HB2      ALA  28  -3.600  15.851  -4.204
  199    HB3  ALA  28           HB3      ALA  28  -2.575  15.171  -2.940
  200    H    GLY  29           H        GLY  29  -1.416  16.868  -0.758
  201    HA2  GLY  29           HA2      GLY  29  -3.332  16.853   1.334
  202    HA3  GLY  29           HA3      GLY  29  -1.588  16.953   1.532
  203    H    ILE  30           H        ILE  30  -1.216  19.363   0.041
  204    HA   ILE  30           HA       ILE  30  -2.053  21.251   2.082
  205    HB   ILE  30           HB       ILE  30  -0.141  21.434  -0.233
  206   HG12  ILE  30          HG12      ILE  30   1.535  21.562   1.401
  207   HG13  ILE  30          HG13      ILE  30   0.404  22.052   2.658
  208   HG21  ILE  30          HG21      ILE  30  -1.562  23.594   1.126
  209   HG22  ILE  30          HG22      ILE  30   0.191  23.777   1.138
  210   HG23  ILE  30          HG23      ILE  30  -0.666  23.604  -0.393
  211   HD11  ILE  30          HD11      ILE  30   1.189  19.784   3.008
  212   HD12  ILE  30          HD12      ILE  30  -0.543  19.807   2.679
  213   HD13  ILE  30          HD13      ILE  30   0.587  19.317   1.417
  214    H    LEU  31           H        LEU  31  -2.502  20.702  -1.377
  215    HA   LEU  31           HA       LEU  31  -3.859  23.049  -2.024
  216    HB2  LEU  31           HB2      LEU  31  -3.891  20.273  -3.137
  217    HB3  LEU  31           HB3      LEU  31  -4.996  21.493  -3.766
  218    HG   LEU  31           HG       LEU  31  -2.008  21.862  -3.709
  219   HD11  LEU  31          HD11      LEU  31  -3.084  19.879  -5.111
  220   HD12  LEU  31          HD12      LEU  31  -1.760  20.864  -5.733
  221   HD13  LEU  31          HD13      LEU  31  -3.418  21.201  -6.230
  222   HD21  LEU  31          HD21      LEU  31  -3.719  23.799  -3.928
  223   HD22  LEU  31          HD22      LEU  31  -3.957  23.175  -5.561
  224   HD23  LEU  31          HD23      LEU  31  -2.358  23.717  -5.048
  225    H    THR  32           H        THR  32  -4.994  20.090  -0.519
  226    HA   THR  32           HA       THR  32  -7.762  20.990  -0.578
  227    HB   THR  32           HB       THR  32  -7.326  18.614  -0.967
  228    HG1  THR  32           HG1      THR  32  -9.277  19.237   0.112
  229   HG21  THR  32          HG21      THR  32  -6.620  18.079   1.851
  230   HG22  THR  32          HG22      THR  32  -5.353  18.802   0.860
  231   HG23  THR  32          HG23      THR  32  -6.087  17.275   0.375
  232    H    LEU  33           H        LEU  33  -5.153  20.474   1.741
  233    HA   LEU  33           HA       LEU  33  -6.325  20.672   4.158
  234    HB2  LEU  33           HB2      LEU  33  -3.763  21.183   3.116
  235    HB3  LEU  33           HB3      LEU  33  -4.175  22.571   4.121
  236    HG   LEU  33           HG       LEU  33  -4.224  19.702   5.054
  237   HD11  LEU  33          HD11      LEU  33  -1.971  20.058   4.799
  238   HD12  LEU  33          HD12      LEU  33  -2.225  20.669   6.433
  239   HD13  LEU  33          HD13      LEU  33  -2.100  21.794   5.081
  240   HD21  LEU  33          HD21      LEU  33  -4.737  22.344   6.371
  241   HD22  LEU  33          HD22      LEU  33  -4.168  20.959   7.303
  242   HD23  LEU  33          HD23      LEU  33  -5.697  20.865   6.428
  243    HN1  NH2  34           HN1      NH2  34  -8.050  22.149   4.830
  244    HN2  NH2  34           HN2      NH2  34  -7.285  23.629   5.287
  Start of MODEL   10
    1    H1   PCA   1           H1       PCA   1   2.124   2.901   2.599
    2    HA   PCA   1           HA       PCA   1   1.346   4.704   0.773
    3    HB2  PCA   1           HB2      PCA   1   3.196   6.100   0.208
    4    HB3  PCA   1           HB3      PCA   1   4.376   4.962   0.884
    5    HG2  PCA   1           HG2      PCA   1   2.320   6.628   2.428
    6    HG3  PCA   1           HG3      PCA   1   4.051   6.442   2.777
    7    HA   PRO   2           HA       PRO   2   1.628   1.285  -1.845
    8    HB2  PRO   2           HB2      PRO   2   1.695   2.495  -4.274
    9    HB3  PRO   2           HB3      PRO   2   0.244   2.443  -3.267
   10    HG2  PRO   2           HG2      PRO   2   2.231   4.655  -3.613
   11    HG3  PRO   2           HG3      PRO   2   0.461   4.741  -3.546
   12    HD2  PRO   2           HD2      PRO   2   2.030   5.342  -1.422
   13    HD3  PRO   2           HD3      PRO   2   0.417   4.623  -1.244
   14    H    LEU   3           H        LEU   3   3.024   0.057  -3.137
   15    HA   LEU   3           HA       LEU   3   5.806   0.722  -2.880
   16    HB2  LEU   3           HB2      LEU   3   6.103  -1.471  -3.051
   17    HB3  LEU   3           HB3      LEU   3   4.347  -1.615  -3.072
   18    HG   LEU   3           HG       LEU   3   5.964  -1.298  -5.589
   19   HD11  LEU   3          HD11      LEU   3   4.993  -3.935  -4.550
   20   HD12  LEU   3          HD12      LEU   3   6.594  -3.321  -4.136
   21   HD13  LEU   3          HD13      LEU   3   6.167  -3.604  -5.824
   22   HD21  LEU   3          HD21      LEU   3   3.625  -0.812  -5.840
   23   HD22  LEU   3          HD22      LEU   3   3.180  -2.290  -4.987
   24   HD23  LEU   3          HD23      LEU   3   3.956  -2.384  -6.569
   25    HA   PRO   4           HA       PRO   4   6.735   2.351  -6.846
   26    HB2  PRO   4           HB2      PRO   4   8.986   1.021  -7.577
   27    HB3  PRO   4           HB3      PRO   4   8.963   2.241  -6.298
   28    HG2  PRO   4           HG2      PRO   4   8.895  -0.743  -6.071
   29    HG3  PRO   4           HG3      PRO   4   9.820   0.431  -5.116
   30    HD2  PRO   4           HD2      PRO   4   7.526  -0.693  -4.218
   31    HD3  PRO   4           HD3      PRO   4   8.016   0.957  -3.782
   32    H    ASP   5           H        ASP   5   6.063   2.076  -8.894
   33    HA   ASP   5           HA       ASP   5   5.003  -0.478  -9.692
   34    HB2  ASP   5           HB2      ASP   5   5.175   1.701 -11.688
   35    HB3  ASP   5           HB3      ASP   5   3.811   0.677 -11.249
   36    H    CYS   6           H        CYS   6   7.595   1.668 -10.828
   37    HA   CYS   6           HA       CYS   6   8.441   0.151 -13.008
   38    HB2  CYS   6           HB2      CYS   6  10.303   1.731 -11.238
   39    HB3  CYS   6           HB3      CYS   6  10.441   1.435 -12.968
   40    H    CYS   7           H        CYS   7   9.026  -0.246  -9.594
   41    HA   CYS   7           HA       CYS   7  11.209  -2.056  -9.826
   42    HB2  CYS   7           HB2      CYS   7   9.971  -0.709  -7.749
   43    HB3  CYS   7           HB3      CYS   7   9.562  -2.393  -7.437
   44    H    ARG   8           H        ARG   8   7.756  -2.383  -9.976
   45    HA   ARG   8           HA       ARG   8   7.750  -5.235  -9.578
   46    HB2  ARG   8           HB2      ARG   8   5.722  -3.142 -10.161
   47    HB3  ARG   8           HB3      ARG   8   5.337  -4.786 -10.649
   48    HG2  ARG   8           HG2      ARG   8   6.360  -4.831  -7.989
   49    HG3  ARG   8           HG3      ARG   8   5.084  -3.617  -8.101
   50    HD2  ARG   8           HD2      ARG   8   3.826  -5.472  -7.651
   51    HD3  ARG   8           HD3      ARG   8   3.843  -5.535  -9.413
   52    HE   ARG   8           HE       ARG   8   5.968  -7.034  -8.805
   53   HH11  ARG   8          HH11      ARG   8   2.726  -7.025  -7.537
   54   HH12  ARG   8          HH12      ARG   8   2.726  -8.717  -7.166
   55   HH21  ARG   8          HH21      ARG   8   5.981  -9.263  -8.321
   56   HH22  ARG   8          HH22      ARG   8   4.579  -9.989  -7.612
   57    H    GLN   9           H        GLN   9   7.563  -3.023 -12.326
   58    HA   GLN   9           HA       GLN   9   7.545  -5.297 -14.170
   59    HB2  GLN   9           HB2      GLN   9   7.318  -2.365 -14.852
   60    HB3  GLN   9           HB3      GLN   9   6.947  -3.733 -15.892
   61    HG2  GLN   9           HG2      GLN   9   5.368  -2.532 -13.695
   62    HG3  GLN   9           HG3      GLN   9   4.847  -3.155 -15.260
   63   HE21  GLN   9          HE21      GLN   9   4.098  -3.617 -12.326
   64   HE22  GLN   9          HE22      GLN   9   4.025  -5.339 -12.198
   65    H    LYS  10           H        LYS  10   9.749  -3.390 -12.620
   66    HA   LYS  10           HA       LYS  10  11.938  -2.844 -12.944
   67    HB2  LYS  10           HB2      LYS  10  12.264  -5.024 -14.942
   68    HB3  LYS  10           HB3      LYS  10  13.264  -4.614 -13.555
   69    HG2  LYS  10           HG2      LYS  10  10.987  -5.420 -12.327
   70    HG3  LYS  10           HG3      LYS  10  10.983  -6.444 -13.766
   71    HD2  LYS  10           HD2      LYS  10  13.544  -6.727 -13.056
   72    HD3  LYS  10           HD3      LYS  10  12.853  -6.394 -11.466
   73    HE2  LYS  10           HE2      LYS  10  12.078  -8.594 -13.375
   74    HE3  LYS  10           HE3      LYS  10  12.874  -8.769 -11.812
   75    HZ1  LYS  10           HZ1      LYS  10  10.640  -9.273 -11.426
   76    HZ2  LYS  10           HZ2      LYS  10  10.077  -7.982 -12.362
   77    HZ3  LYS  10           HZ3      LYS  10  10.805  -7.685 -10.865
   78    H    THR  11           H        THR  11  10.253  -1.326 -14.508
   79    HA   THR  11           HA       THR  11  11.629  -1.153 -17.104
   80    HB   THR  11           HB       THR  11   9.746  -0.182 -18.047
   81    HG1  THR  11           HG1      THR  11   8.484   1.181 -16.992
   82   HG21  THR  11          HG21      THR  11   7.720  -1.430 -16.978
   83   HG22  THR  11          HG22      THR  11   8.955  -2.191 -15.975
   84   HG23  THR  11          HG23      THR  11   9.017  -2.357 -17.730
   85    H    CYS  12           H        CYS  12  11.459   0.281 -14.069
   86    HA   CYS  12           HA       CYS  12  13.208   2.405 -14.838
   87    HB2  CYS  12           HB2      CYS  12  11.771   4.097 -15.090
   88    HB3  CYS  12           HB3      CYS  12  10.435   2.963 -14.923
   89    H    SER  13           H        SER  13  13.599   3.897 -12.869
   90    HA   SER  13           HA       SER  13  14.444   2.294 -10.724
   91    HB2  SER  13           HB2      SER  13  15.705   4.191 -10.743
   92    HB3  SER  13           HB3      SER  13  14.377   5.193 -11.328
   93    HG   SER  13           HG       SER  13  14.602   5.849  -9.284
   94    H    CYS  14           H        CYS  14  13.698   2.071  -8.616
   95    HA   CYS  14           HA       CYS  14  10.820   2.305  -8.331
   96    HB2  CYS  14           HB2      CYS  14  12.489   1.310  -6.084
   97    HB3  CYS  14           HB3      CYS  14  10.973   0.684  -6.725
   98    H    ARG  15           H        ARG  15  13.736   3.719  -6.994
   99    HA   ARG  15           HA       ARG  15  12.484   5.071  -4.831
  100    HB2  ARG  15           HB2      ARG  15  14.939   4.570  -5.020
  101    HB3  ARG  15           HB3      ARG  15  15.046   5.839  -6.232
  102    HG2  ARG  15           HG2      ARG  15  13.784   7.085  -4.128
  103    HG3  ARG  15           HG3      ARG  15  14.955   6.028  -3.338
  104    HD2  ARG  15           HD2      ARG  15  16.612   6.977  -5.094
  105    HD3  ARG  15           HD3      ARG  15  15.422   8.266  -5.269
  106    HE   ARG  15           HE       ARG  15  16.155   9.123  -3.290
  107   HH11  ARG  15          HH11      ARG  15  17.037   5.758  -3.432
  108   HH12  ARG  15          HH12      ARG  15  17.933   5.796  -1.949
  109   HH21  ARG  15          HH21      ARG  15  17.331   9.186  -1.336
  110   HH22  ARG  15          HH22      ARG  15  18.098   7.746  -0.758
  111    H    LEU  16           H        LEU  16  12.032   5.467  -8.042
  112    HA   LEU  16           HA       LEU  16  12.211   8.195  -8.542
  113    HB2  LEU  16           HB2      LEU  16  11.151   7.737 -10.471
  114    HB3  LEU  16           HB3      LEU  16  11.441   6.069  -9.982
  115    HG   LEU  16           HG       LEU  16   8.874   7.517  -9.373
  116   HD11  LEU  16          HD11      LEU  16   8.246   5.798 -11.373
  117   HD12  LEU  16          HD12      LEU  16   9.832   6.366 -11.896
  118   HD13  LEU  16          HD13      LEU  16   8.537   7.524 -11.591
  119   HD21  LEU  16          HD21      LEU  16   8.344   5.653  -8.295
  120   HD22  LEU  16          HD22      LEU  16   9.962   5.024  -8.607
  121   HD23  LEU  16          HD23      LEU  16   8.654   4.699  -9.746
  122    H    TYR  17           H        TYR  17   9.745   6.359  -6.850
  123    HA   TYR  17           HA       TYR  17   7.815   8.433  -6.714
  124    HB2  TYR  17           HB2      TYR  17   6.705   7.055  -5.060
  125    HB3  TYR  17           HB3      TYR  17   7.299   6.028  -6.361
  126    HD1  TYR  17           HD1      TYR  17   8.233   7.260  -2.967
  127    HD2  TYR  17           HD2      TYR  17   8.568   4.149  -5.850
  128    HE1  TYR  17           HE1      TYR  17   9.414   5.868  -1.319
  129    HE2  TYR  17           HE2      TYR  17   9.749   2.748  -4.210
  130    HH   TYR  17           HH       TYR  17   9.684   3.090  -1.113
  131    H    GLU  18           H        GLU  18  10.476   7.442  -4.625
  132    HA   GLU  18           HA       GLU  18   9.881   9.033  -2.401
  133    HB2  GLU  18           HB2      GLU  18  11.976   7.333  -3.210
  134    HB3  GLU  18           HB3      GLU  18  12.726   8.877  -2.829
  135    HG2  GLU  18           HG2      GLU  18  10.770   7.659  -0.932
  136    HG3  GLU  18           HG3      GLU  18  12.437   7.087  -0.980
  137    H    LEU  19           H        LEU  19  11.444   9.793  -5.442
  138    HA   LEU  19           HA       LEU  19  12.649  12.215  -4.809
  139    HB2  LEU  19           HB2      LEU  19  11.503  11.048  -7.300
  140    HB3  LEU  19           HB3      LEU  19  11.984  12.744  -7.297
  141    HG   LEU  19           HG       LEU  19  14.241  11.716  -6.354
  142   HD11  LEU  19          HD11      LEU  19  12.751   9.406  -7.045
  143   HD12  LEU  19          HD12      LEU  19  14.412   9.511  -6.465
  144   HD13  LEU  19          HD13      LEU  19  14.079   9.564  -8.195
  145   HD21  LEU  19          HD21      LEU  19  14.498  12.970  -8.243
  146   HD22  LEU  19          HD22      LEU  19  13.230  12.114  -9.121
  147   HD23  LEU  19          HD23      LEU  19  14.815  11.368  -8.909
  148    H    LEU  20           H        LEU  20   9.339  11.610  -5.962
  149    HA   LEU  20           HA       LEU  20   8.614  14.389  -5.640
  150    HB2  LEU  20           HB2      LEU  20   6.865  12.008  -6.239
  151    HB3  LEU  20           HB3      LEU  20   6.419  13.705  -6.407
  152    HG   LEU  20           HG       LEU  20   8.233  13.879  -8.159
  153   HD11  LEU  20          HD11      LEU  20   9.631  12.073  -7.906
  154   HD12  LEU  20          HD12      LEU  20   8.607  11.531  -9.235
  155   HD13  LEU  20          HD13      LEU  20   8.305  10.950  -7.598
  156   HD21  LEU  20          HD21      LEU  20   6.093  11.898  -8.883
  157   HD22  LEU  20          HD22      LEU  20   6.803  13.167  -9.882
  158   HD23  LEU  20          HD23      LEU  20   5.733  13.591  -8.545
  159    H    HIS  21           H        HIS  21   8.250  11.384  -3.889
  160    HA   HIS  21           HA       HIS  21   6.266  12.276  -2.065
  161    HB2  HIS  21           HB2      HIS  21   8.086   9.949  -2.290
  162    HB3  HIS  21           HB3      HIS  21   7.514  10.332  -0.669
  163    HD1  HIS  21           HD1      HIS  21   5.666   8.771  -0.174
  164    HD2  HIS  21           HD2      HIS  21   5.467  10.212  -4.065
  165    HE1  HIS  21           HE1      HIS  21   3.550   7.813  -1.138
  166    H    GLY  22           H        GLY  22   9.558  13.011  -2.397
  167    HA2  GLY  22           HA2      GLY  22   9.730  13.881   0.418
  168    HA3  GLY  22           HA3      GLY  22  11.114  13.533  -0.607
  169    H    ALA  23           H        ALA  23  10.561  14.926  -2.881
  170    HA   ALA  23           HA       ALA  23  10.982  17.648  -1.979
  171    HB1  ALA  23           HB1      ALA  23  12.377  17.606  -3.706
  172    HB2  ALA  23           HB2      ALA  23  11.697  16.086  -4.288
  173    HB3  ALA  23           HB3      ALA  23  10.971  17.618  -4.772
  174    H    GLY  24           H        GLY  24   8.284  15.939  -2.419
  175    HA2  GLY  24           HA2      GLY  24   6.624  18.230  -2.696
  176    HA3  GLY  24           HA3      GLY  24   6.658  17.313  -4.195
  177    H    ASN  25           H        ASN  25   6.631  16.298  -0.783
  178    HA   ASN  25           HA       ASN  25   4.892  14.131  -1.234
  179    HB2  ASN  25           HB2      ASN  25   5.175  13.663   0.979
  180    HB3  ASN  25           HB3      ASN  25   6.489  14.824   0.812
  181   HD21  ASN  25          HD21      ASN  25   3.094  14.517   1.708
  182   HD22  ASN  25          HD22      ASN  25   3.089  15.824   2.839
  183    H    HIS  26           H        HIS  26   4.322  17.490  -0.518
  184    HA   HIS  26           HA       HIS  26   1.666  17.310   0.390
  185    HB2  HIS  26           HB2      HIS  26   3.384  19.460  -0.745
  186    HB3  HIS  26           HB3      HIS  26   1.644  19.735  -0.729
  187    HD1  HIS  26           HD1      HIS  26   2.284  21.688   0.993
  188    HD2  HIS  26           HD2      HIS  26   2.839  17.800   2.348
  189    HE1  HIS  26           HE1      HIS  26   2.483  21.870   3.494
  190    H    ALA  27           H        ALA  27   3.063  17.199  -2.795
  191    HA   ALA  27           HA       ALA  27   0.860  17.850  -4.368
  192    HB1  ALA  27           HB1      ALA  27   2.268  17.390  -6.023
  193    HB2  ALA  27           HB2      ALA  27   3.440  16.884  -4.806
  194    HB3  ALA  27           HB3      ALA  27   2.366  15.695  -5.545
  195    H    ALA  28           H        ALA  28   1.702  14.837  -2.760
  196    HA   ALA  28           HA       ALA  28  -0.518  13.413  -3.965
  197    HB1  ALA  28           HB1      ALA  28   1.917  12.687  -2.693
  198    HB2  ALA  28           HB2      ALA  28   0.585  11.945  -1.806
  199    HB3  ALA  28           HB3      ALA  28   0.763  11.655  -3.537
  200    H    GLY  29           H        GLY  29   0.264  15.013  -0.952
  201    HA2  GLY  29           HA2      GLY  29  -1.816  13.927   0.626
  202    HA3  GLY  29           HA3      GLY  29  -0.980  15.442   0.930
  203    H    ILE  30           H        ILE  30  -1.688  16.723  -1.523
  204    HA   ILE  30           HA       ILE  30  -4.410  17.478  -0.832
  205    HB   ILE  30           HB       ILE  30  -2.344  18.689  -2.654
  206   HG12  ILE  30          HG12      ILE  30  -2.927  20.670  -1.072
  207   HG13  ILE  30          HG13      ILE  30  -3.644  19.430  -0.048
  208   HG21  ILE  30          HG21      ILE  30  -4.316  20.529  -2.660
  209   HG22  ILE  30          HG22      ILE  30  -4.080  19.336  -3.935
  210   HG23  ILE  30          HG23      ILE  30  -5.266  19.044  -2.664
  211   HD11  ILE  30          HD11      ILE  30  -1.459  18.264  -0.030
  212   HD12  ILE  30          HD12      ILE  30  -0.774  19.625  -0.919
  213   HD13  ILE  30          HD13      ILE  30  -1.421  19.867   0.703
  214    H    LEU  31           H        LEU  31  -2.619  16.111  -3.545
  215    HA   LEU  31           HA       LEU  31  -4.584  16.175  -5.503
  216    HB2  LEU  31           HB2      LEU  31  -2.270  14.381  -4.942
  217    HB3  LEU  31           HB3      LEU  31  -3.410  13.934  -6.210
  218    HG   LEU  31           HG       LEU  31  -1.969  16.578  -6.156
  219   HD11  LEU  31          HD11      LEU  31  -1.133  14.409  -7.996
  220   HD12  LEU  31          HD12      LEU  31  -0.593  14.316  -6.320
  221   HD13  LEU  31          HD13      LEU  31  -0.197  15.730  -7.297
  222   HD21  LEU  31          HD21      LEU  31  -2.500  16.059  -8.728
  223   HD22  LEU  31          HD22      LEU  31  -3.617  16.920  -7.669
  224   HD23  LEU  31          HD23      LEU  31  -3.844  15.198  -7.978
  225    H    THR  32           H        THR  32  -4.119  13.915  -2.847
  226    HA   THR  32           HA       THR  32  -6.405  12.319  -3.720
  227    HB   THR  32           HB       THR  32  -4.466  11.068  -2.958
  228    HG1  THR  32           HG1      THR  32  -5.762   9.683  -2.013
  229   HG21  THR  32          HG21      THR  32  -4.686  11.751  -0.129
  230   HG22  THR  32          HG22      THR  32  -4.133  13.096  -1.126
  231   HG23  THR  32          HG23      THR  32  -3.254  11.567  -1.139
  232    H    LEU  33           H        LEU  33  -5.421  14.492  -1.134
  233    HA   LEU  33           HA       LEU  33  -8.219  14.552  -0.219
  234    HB2  LEU  33           HB2      LEU  33  -5.857  14.944   1.597
  235    HB3  LEU  33           HB3      LEU  33  -7.548  14.726   2.044
  236    HG   LEU  33           HG       LEU  33  -6.550  12.442   0.578
  237   HD11  LEU  33          HD11      LEU  33  -5.210  12.847   3.226
  238   HD12  LEU  33          HD12      LEU  33  -4.442  13.368   1.726
  239   HD13  LEU  33          HD13      LEU  33  -4.851  11.669   1.962
  240   HD21  LEU  33          HD21      LEU  33  -7.479  11.246   2.458
  241   HD22  LEU  33          HD22      LEU  33  -8.585  12.532   1.973
  242   HD23  LEU  33          HD23      LEU  33  -7.569  12.734   3.402
  243    HN1  NH2  34           HN1      NH2  34  -5.738  17.579   0.613
  244    HN2  NH2  34           HN2      NH2  34  -6.858  16.898   1.738
  Start of MODEL   11
    1    H1   PCA   1           H1       PCA   1   1.741   3.404   2.278
    2    HA   PCA   1           HA       PCA   1   4.111   4.556   1.783
    3    HB2  PCA   1           HB2      PCA   1   5.647   3.968   3.510
    4    HB3  PCA   1           HB3      PCA   1   4.648   2.610   4.060
    5    HG2  PCA   1           HG2      PCA   1   3.999   5.595   4.292
    6    HG3  PCA   1           HG3      PCA   1   3.888   4.356   5.559
    7    HA   PRO   2           HA       PRO   2   2.822   0.771  -0.500
    8    HB2  PRO   2           HB2      PRO   2   2.388   2.081  -2.838
    9    HB3  PRO   2           HB3      PRO   2   1.148   1.905  -1.591
   10    HG2  PRO   2           HG2      PRO   2   2.930   4.239  -2.174
   11    HG3  PRO   2           HG3      PRO   2   1.199   4.222  -1.788
   12    HD2  PRO   2           HD2      PRO   2   3.096   4.824   0.048
   13    HD3  PRO   2           HD3      PRO   2   1.578   4.008   0.476
   14    H    LEU   3           H        LEU   3   4.062  -0.354  -1.990
   15    HA   LEU   3           HA       LEU   3   6.793   0.459  -2.223
   16    HB2  LEU   3           HB2      LEU   3   7.150  -1.705  -2.568
   17    HB3  LEU   3           HB3      LEU   3   5.425  -1.939  -2.295
   18    HG   LEU   3           HG       LEU   3   6.563  -1.415  -5.030
   19   HD11  LEU   3          HD11      LEU   3   7.525  -3.471  -3.830
   20   HD12  LEU   3          HD12      LEU   3   6.816  -3.695  -5.429
   21   HD13  LEU   3          HD13      LEU   3   5.903  -4.147  -3.989
   22   HD21  LEU   3          HD21      LEU   3   4.465  -2.554  -5.712
   23   HD22  LEU   3          HD22      LEU   3   4.198  -1.039  -4.849
   24   HD23  LEU   3          HD23      LEU   3   3.973  -2.580  -4.019
   25    HA   PRO   4           HA       PRO   4   6.945   2.326  -6.191
   26    HB2  PRO   4           HB2      PRO   4   9.090   1.154  -7.372
   27    HB3  PRO   4           HB3      PRO   4   9.238   2.307  -6.040
   28    HG2  PRO   4           HG2      PRO   4   9.339  -0.685  -5.976
   29    HG3  PRO   4           HG3      PRO   4  10.365   0.488  -5.129
   30    HD2  PRO   4           HD2      PRO   4   8.313  -0.797  -3.916
   31    HD3  PRO   4           HD3      PRO   4   8.800   0.853  -3.477
   32    H    ASP   5           H        ASP   5   5.939   2.117  -8.105
   33    HA   ASP   5           HA       ASP   5   4.867  -0.446  -8.854
   34    HB2  ASP   5           HB2      ASP   5   4.597   1.840 -10.717
   35    HB3  ASP   5           HB3      ASP   5   3.376   0.719 -10.121
   36    H    CYS   6           H        CYS   6   7.126   1.885 -10.293
   37    HA   CYS   6           HA       CYS   6   7.644   0.523 -12.670
   38    HB2  CYS   6           HB2      CYS   6   9.718   2.108 -11.160
   39    HB3  CYS   6           HB3      CYS   6   9.560   1.908 -12.902
   40    H    CYS   7           H        CYS   7   8.830  -0.010  -9.435
   41    HA   CYS   7           HA       CYS   7  11.017  -1.689 -10.142
   42    HB2  CYS   7           HB2      CYS   7  10.104  -0.512  -7.810
   43    HB3  CYS   7           HB3      CYS   7   9.826  -2.227  -7.529
   44    H    ARG   8           H        ARG   8   7.607  -2.189  -9.715
   45    HA   ARG   8           HA       ARG   8   7.794  -5.053  -9.486
   46    HB2  ARG   8           HB2      ARG   8   5.910  -4.124  -8.423
   47    HB3  ARG   8           HB3      ARG   8   5.518  -3.116  -9.809
   48    HG2  ARG   8           HG2      ARG   8   4.344  -4.738 -10.820
   49    HG3  ARG   8           HG3      ARG   8   5.474  -6.002 -10.332
   50    HD2  ARG   8           HD2      ARG   8   4.422  -6.352  -8.315
   51    HD3  ARG   8           HD3      ARG   8   3.748  -4.723  -8.265
   52    HE   ARG   8           HE       ARG   8   2.465  -5.832 -10.359
   53   HH11  ARG   8          HH11      ARG   8   2.990  -6.882  -7.082
   54   HH12  ARG   8          HH12      ARG   8   1.509  -7.777  -6.993
   55   HH21  ARG   8          HH21      ARG   8   0.512  -7.006 -10.255
   56   HH22  ARG   8          HH22      ARG   8   0.101  -7.848  -8.799
   57    H    GLN   9           H        GLN   9   7.036  -2.722 -12.030
   58    HA   GLN   9           HA       GLN   9   6.796  -4.902 -13.971
   59    HB2  GLN   9           HB2      GLN   9   6.326  -1.956 -14.435
   60    HB3  GLN   9           HB3      GLN   9   5.839  -3.291 -15.471
   61    HG2  GLN   9           HG2      GLN   9   4.629  -3.911 -13.094
   62    HG3  GLN   9           HG3      GLN   9   4.524  -2.152 -13.138
   63   HE21  GLN   9          HE21      GLN   9   3.063  -1.213 -14.430
   64   HE22  GLN   9          HE22      GLN   9   2.025  -2.057 -15.523
   65    H    LYS  10           H        LYS  10   9.150  -2.958 -12.715
   66    HA   LYS  10           HA       LYS  10  11.224  -2.282 -13.379
   67    HB2  LYS  10           HB2      LYS  10  11.233  -4.383 -15.502
   68    HB3  LYS  10           HB3      LYS  10  12.505  -3.926 -14.377
   69    HG2  LYS  10           HG2      LYS  10  10.616  -4.883 -12.678
   70    HG3  LYS  10           HG3      LYS  10  10.357  -5.897 -14.100
   71    HD2  LYS  10           HD2      LYS  10  12.697  -6.539 -14.102
   72    HD3  LYS  10           HD3      LYS  10  13.018  -5.460 -12.743
   73    HE2  LYS  10           HE2      LYS  10  12.261  -6.945 -11.252
   74    HE3  LYS  10           HE3      LYS  10  10.842  -7.327 -12.227
   75    HZ1  LYS  10           HZ1      LYS  10  13.260  -8.359 -13.358
   76    HZ2  LYS  10           HZ2      LYS  10  11.809  -9.154 -13.009
   77    HZ3  LYS  10           HZ3      LYS  10  12.978  -8.961 -11.802
   78    H    THR  11           H        THR  11   9.226  -0.783 -14.543
   79    HA   THR  11           HA       THR  11  10.121  -0.412 -17.321
   80    HB   THR  11           HB       THR  11   8.063   0.501 -17.872
   81    HG1  THR  11           HG1      THR  11   7.091   1.849 -16.566
   82   HG21  THR  11          HG21      THR  11   7.498  -1.724 -17.557
   83   HG22  THR  11          HG22      THR  11   6.310  -0.903 -16.544
   84   HG23  THR  11          HG23      THR  11   7.733  -1.643 -15.812
   85    H    CYS  12           H        CYS  12  10.418   0.864 -14.226
   86    HA   CYS  12           HA       CYS  12  11.909   3.114 -15.164
   87    HB2  CYS  12           HB2      CYS  12  10.374   4.734 -15.067
   88    HB3  CYS  12           HB3      CYS  12   9.142   3.523 -14.731
   89    H    SER  13           H        SER  13  12.576   4.525 -13.211
   90    HA   SER  13           HA       SER  13  13.850   2.864 -11.339
   91    HB2  SER  13           HB2      SER  13  14.349   5.338 -12.123
   92    HB3  SER  13           HB3      SER  13  13.372   5.751 -10.715
   93    HG   SER  13           HG       SER  13  15.475   3.893 -10.496
   94    H    CYS  14           H        CYS  14  13.478   2.467  -9.168
   95    HA   CYS  14           HA       CYS  14  10.697   2.553  -8.371
   96    HB2  CYS  14           HB2      CYS  14  12.777   1.566  -6.494
   97    HB3  CYS  14           HB3      CYS  14  11.205   0.882  -6.894
   98    H    ARG  15           H        ARG  15  13.728   4.074  -7.484
   99    HA   ARG  15           HA       ARG  15  12.805   5.268  -5.077
  100    HB2  ARG  15           HB2      ARG  15  15.218   4.908  -5.749
  101    HB3  ARG  15           HB3      ARG  15  15.037   6.273  -6.843
  102    HG2  ARG  15           HG2      ARG  15  14.930   7.803  -5.138
  103    HG3  ARG  15           HG3      ARG  15  14.331   6.622  -3.972
  104    HD2  ARG  15           HD2      ARG  15  16.515   5.579  -3.863
  105    HD3  ARG  15           HD3      ARG  15  17.125   6.670  -5.107
  106    HE   ARG  15           HE       ARG  15  16.814   7.236  -2.316
  107   HH11  ARG  15          HH11      ARG  15  16.881   8.634  -5.504
  108   HH12  ARG  15          HH12      ARG  15  17.362  10.203  -4.947
  109   HH21  ARG  15          HH21      ARG  15  17.447   9.297  -1.571
  110   HH22  ARG  15          HH22      ARG  15  17.685  10.578  -2.711
  111    H    LEU  16           H        LEU  16  11.785   5.764  -8.140
  112    HA   LEU  16           HA       LEU  16  11.742   8.515  -8.532
  113    HB2  LEU  16           HB2      LEU  16  10.386   8.074 -10.270
  114    HB3  LEU  16           HB3      LEU  16  10.836   6.406  -9.918
  115    HG   LEU  16           HG       LEU  16   8.348   7.683  -8.805
  116   HD11  LEU  16          HD11      LEU  16   8.907   6.749 -11.516
  117   HD12  LEU  16          HD12      LEU  16   7.586   7.744 -10.905
  118   HD13  LEU  16          HD13      LEU  16   7.501   5.988 -10.770
  119   HD21  LEU  16          HD21      LEU  16   8.060   5.738  -7.778
  120   HD22  LEU  16          HD22      LEU  16   9.666   5.251  -8.322
  121   HD23  LEU  16          HD23      LEU  16   8.249   4.861  -9.297
  122    H    TYR  17           H        TYR  17   9.698   6.480  -6.532
  123    HA   TYR  17           HA       TYR  17   7.721   8.430  -5.968
  124    HB2  TYR  17           HB2      TYR  17   6.998   6.935  -4.203
  125    HB3  TYR  17           HB3      TYR  17   7.399   5.991  -5.634
  126    HD1  TYR  17           HD1      TYR  17   8.871   7.157  -2.411
  127    HD2  TYR  17           HD2      TYR  17   8.829   4.170  -5.441
  128    HE1  TYR  17           HE1      TYR  17  10.399   5.778  -1.065
  129    HE2  TYR  17           HE2      TYR  17  10.356   2.782  -4.103
  130    HH   TYR  17           HH       TYR  17  10.907   2.581  -1.557
  131    H    GLU  18           H        GLU  18  10.761   7.538  -4.427
  132    HA   GLU  18           HA       GLU  18  10.488   9.007  -2.062
  133    HB2  GLU  18           HB2      GLU  18  12.590   7.613  -3.456
  134    HB3  GLU  18           HB3      GLU  18  13.203   9.121  -2.793
  135    HG2  GLU  18           HG2      GLU  18  11.668   8.004  -0.754
  136    HG3  GLU  18           HG3      GLU  18  12.560   6.657  -1.458
  137    H    LEU  19           H        LEU  19  11.428   9.979  -5.293
  138    HA   LEU  19           HA       LEU  19  12.597  12.438  -4.801
  139    HB2  LEU  19           HB2      LEU  19  10.992  11.327  -7.055
  140    HB3  LEU  19           HB3      LEU  19  11.407  13.040  -7.061
  141    HG   LEU  19           HG       LEU  19  13.029  11.957  -8.389
  142   HD11  LEU  19          HD11      LEU  19  14.883  12.839  -7.455
  143   HD12  LEU  19          HD12      LEU  19  14.641  12.008  -5.919
  144   HD13  LEU  19          HD13      LEU  19  13.725  13.470  -6.283
  145   HD21  LEU  19          HD21      LEU  19  13.906   9.900  -8.047
  146   HD22  LEU  19          HD22      LEU  19  12.444   9.695  -7.082
  147   HD23  LEU  19          HD23      LEU  19  13.972  10.096  -6.296
  148    H    LEU  20           H        LEU  20   9.149  11.784  -5.430
  149    HA   LEU  20           HA       LEU  20   8.395  14.473  -4.743
  150    HB2  LEU  20           HB2      LEU  20   6.582  12.093  -5.054
  151    HB3  LEU  20           HB3      LEU  20   6.158  13.797  -5.202
  152    HG   LEU  20           HG       LEU  20   6.225  13.277  -7.404
  153   HD11  LEU  20          HD11      LEU  20   9.199  13.523  -7.047
  154   HD12  LEU  20          HD12      LEU  20   8.098  14.888  -6.868
  155   HD13  LEU  20          HD13      LEU  20   8.213  14.046  -8.413
  156   HD21  LEU  20          HD21      LEU  20   7.503  10.922  -6.446
  157   HD22  LEU  20          HD22      LEU  20   8.414  11.533  -7.828
  158   HD23  LEU  20          HD23      LEU  20   6.691  11.190  -7.989
  159    H    HIS  21           H        HIS  21   8.455  11.351  -3.156
  160    HA   HIS  21           HA       HIS  21   6.834  12.003  -0.941
  161    HB2  HIS  21           HB2      HIS  21   8.720   9.852  -1.660
  162    HB3  HIS  21           HB3      HIS  21   8.538  10.134   0.069
  163    HD1  HIS  21           HD1      HIS  21   6.932   8.495   0.964
  164    HD2  HIS  21           HD2      HIS  21   5.785   9.879  -2.782
  165    HE1  HIS  21           HE1      HIS  21   4.729   7.381   0.481
  166    H    GLY  22           H        GLY  22   9.995  12.959  -1.807
  167    HA2  GLY  22           HA2      GLY  22  10.547  13.821   0.962
  168    HA3  GLY  22           HA3      GLY  22  11.780  13.535  -0.257
  169    H    ALA  23           H        ALA  23  10.467  14.899  -2.396
  170    HA   ALA  23           HA       ALA  23  11.134  17.622  -1.632
  171    HB1  ALA  23           HB1      ALA  23  11.649  16.204  -3.879
  172    HB2  ALA  23           HB2      ALA  23  10.226  17.118  -4.380
  173    HB3  ALA  23           HB3      ALA  23  11.655  17.966  -3.791
  174    H    GLY  24           H        GLY  24   8.447  15.898  -1.279
  175    HA2  GLY  24           HA2      GLY  24   6.652  17.728  -0.613
  176    HA3  GLY  24           HA3      GLY  24   6.561  17.846  -2.364
  177    H    ASN  25           H        ASN  25   6.119  15.677   0.380
  178    HA   ASN  25           HA       ASN  25   4.928  13.586  -1.164
  179    HB2  ASN  25           HB2      ASN  25   4.478  12.515   0.936
  180    HB3  ASN  25           HB3      ASN  25   6.070  13.260   1.051
  181   HD21  ASN  25          HD21      ASN  25   6.389  14.975   2.425
  182   HD22  ASN  25          HD22      ASN  25   5.226  15.456   3.609
  183    H    HIS  26           H        HIS  26   3.712  16.272   0.773
  184    HA   HIS  26           HA       HIS  26   0.989  15.566   0.727
  185    HB2  HIS  26           HB2      HIS  26   2.200  18.335   0.866
  186    HB3  HIS  26           HB3      HIS  26   0.556  17.900   1.325
  187    HD1  HIS  26           HD1      HIS  26   3.313  18.910   3.005
  188    HD2  HIS  26           HD2      HIS  26   1.094  15.409   3.295
  189    HE1  HIS  26           HE1      HIS  26   3.787  18.002   5.301
  190    H    ALA  27           H        ALA  27   3.048  17.102  -1.620
  191    HA   ALA  27           HA       ALA  27   1.166  18.365  -3.237
  192    HB1  ALA  27           HB1      ALA  27   3.911  17.783  -3.367
  193    HB2  ALA  27           HB2      ALA  27   3.201  17.169  -4.860
  194    HB3  ALA  27           HB3      ALA  27   2.983  18.861  -4.410
  195    H    ALA  28           H        ALA  28   2.132  14.985  -3.075
  196    HA   ALA  28           HA       ALA  28   0.496  14.265  -5.358
  197    HB1  ALA  28           HB1      ALA  28   2.657  13.146  -4.922
  198    HB2  ALA  28           HB2      ALA  28   1.976  12.466  -3.443
  199    HB3  ALA  28           HB3      ALA  28   1.303  12.019  -5.011
  200    H    GLY  29           H        GLY  29   0.320  14.189  -1.864
  201    HA2  GLY  29           HA2      GLY  29  -1.843  12.385  -1.615
  202    HA3  GLY  29           HA3      GLY  29  -1.359  13.580  -0.421
  203    H    ILE  30           H        ILE  30  -1.712  15.866  -2.130
  204    HA   ILE  30           HA       ILE  30  -4.604  16.092  -1.905
  205    HB   ILE  30           HB       ILE  30  -2.556  18.205  -2.589
  206   HG12  ILE  30          HG12      ILE  30  -2.159  17.464  -0.349
  207   HG13  ILE  30          HG13      ILE  30  -3.049  18.978  -0.237
  208   HG21  ILE  30          HG21      ILE  30  -4.212  19.755  -2.664
  209   HG22  ILE  30          HG22      ILE  30  -5.142  18.358  -3.202
  210   HG23  ILE  30          HG23      ILE  30  -5.233  18.883  -1.521
  211   HD11  ILE  30          HD11      ILE  30  -5.089  17.232  -0.197
  212   HD12  ILE  30          HD12      ILE  30  -3.826  16.259   0.558
  213   HD13  ILE  30          HD13      ILE  30  -4.268  17.821   1.248
  214    H    LEU  31           H        LEU  31  -2.081  16.292  -4.366
  215    HA   LEU  31           HA       LEU  31  -3.578  17.206  -6.515
  216    HB2  LEU  31           HB2      LEU  31  -1.139  15.543  -6.214
  217    HB3  LEU  31           HB3      LEU  31  -1.915  15.575  -7.796
  218    HG   LEU  31           HG       LEU  31  -1.398  17.799  -8.151
  219   HD11  LEU  31          HD11      LEU  31  -1.547  17.987  -5.209
  220   HD12  LEU  31          HD12      LEU  31  -2.136  19.090  -6.451
  221   HD13  LEU  31          HD13      LEU  31  -0.427  19.087  -6.013
  222   HD21  LEU  31          HD21      LEU  31   0.781  17.438  -8.336
  223   HD22  LEU  31          HD22      LEU  31   0.666  16.121  -7.168
  224   HD23  LEU  31          HD23      LEU  31   0.992  17.764  -6.615
  225    H    THR  32           H        THR  32  -3.312  13.968  -5.167
  226    HA   THR  32           HA       THR  32  -5.072  12.896  -7.240
  227    HB   THR  32           HB       THR  32  -3.148  11.523  -6.681
  228    HG1  THR  32           HG1      THR  32  -5.477  10.646  -6.932
  229   HG21  THR  32          HG21      THR  32  -4.023  10.713  -4.021
  230   HG22  THR  32          HG22      THR  32  -3.535  12.406  -4.097
  231   HG23  THR  32          HG23      THR  32  -2.414  11.142  -4.599
  232    H    LEU  33           H        LEU  33  -5.002  13.574  -3.790
  233    HA   LEU  33           HA       LEU  33  -7.742  12.583  -3.504
  234    HB2  LEU  33           HB2      LEU  33  -5.674  12.203  -1.881
  235    HB3  LEU  33           HB3      LEU  33  -6.238  13.736  -1.217
  236    HG   LEU  33           HG       LEU  33  -8.552  12.437  -1.176
  237   HD11  LEU  33          HD11      LEU  33  -7.112  10.434  -2.173
  238   HD12  LEU  33          HD12      LEU  33  -8.473  10.173  -1.083
  239   HD13  LEU  33          HD13      LEU  33  -6.824  10.143  -0.458
  240   HD21  LEU  33          HD21      LEU  33  -7.196  11.462   1.101
  241   HD22  LEU  33          HD22      LEU  33  -8.212  12.897   0.967
  242   HD23  LEU  33          HD23      LEU  33  -6.474  13.018   0.689
  243    HN1  NH2  34           HN1      NH2  34  -7.072  15.677  -1.454
  244    HN2  NH2  34           HN2      NH2  34  -6.294  16.146  -2.923
  Start of MODEL   12
    1    H1   PCA   1           H1       PCA   1   1.436   3.257   2.256
    2    HA   PCA   1           HA       PCA   1   3.973   4.122   2.201
    3    HB2  PCA   1           HB2      PCA   1   5.214   3.028   3.919
    4    HB3  PCA   1           HB3      PCA   1   3.996   1.754   4.112
    5    HG2  PCA   1           HG2      PCA   1   3.705   4.715   4.840
    6    HG3  PCA   1           HG3      PCA   1   3.294   3.305   5.837
    7    HA   PRO   2           HA       PRO   2   2.494   1.024  -0.863
    8    HB2  PRO   2           HB2      PRO   2   2.521   2.768  -2.943
    9    HB3  PRO   2           HB3      PRO   2   1.127   2.568  -1.875
   10    HG2  PRO   2           HG2      PRO   2   3.256   4.672  -1.836
   11    HG3  PRO   2           HG3      PRO   2   1.504   4.849  -1.627
   12    HD2  PRO   2           HD2      PRO   2   3.227   4.832   0.462
   13    HD3  PRO   2           HD3      PRO   2   1.575   4.192   0.582
   14    H    LEU   3           H        LEU   3   3.741   0.011  -2.433
   15    HA   LEU   3           HA       LEU   3   6.574   0.659  -2.354
   16    HB2  LEU   3           HB2      LEU   3   6.889  -1.524  -2.610
   17    HB3  LEU   3           HB3      LEU   3   5.146  -1.704  -2.421
   18    HG   LEU   3           HG       LEU   3   6.438  -1.302  -5.107
   19   HD11  LEU   3          HD11      LEU   3   6.651  -3.599  -5.417
   20   HD12  LEU   3          HD12      LEU   3   5.652  -3.980  -4.016
   21   HD13  LEU   3          HD13      LEU   3   7.279  -3.340  -3.789
   22   HD21  LEU   3          HD21      LEU   3   4.078  -0.861  -5.063
   23   HD22  LEU   3          HD22      LEU   3   3.768  -2.365  -4.195
   24   HD23  LEU   3          HD23      LEU   3   4.347  -2.410  -5.861
   25    HA   PRO   4           HA       PRO   4   6.983   2.387  -6.366
   26    HB2  PRO   4           HB2      PRO   4   9.153   1.121  -7.394
   27    HB3  PRO   4           HB3      PRO   4   9.263   2.314  -6.095
   28    HG2  PRO   4           HG2      PRO   4   9.279  -0.675  -5.928
   29    HG3  PRO   4           HG3      PRO   4  10.291   0.498  -5.067
   30    HD2  PRO   4           HD2      PRO   4   8.145  -0.692  -3.923
   31    HD3  PRO   4           HD3      PRO   4   8.653   0.959  -3.512
   32    H    ASP   5           H        ASP   5   6.072   2.140  -8.323
   33    HA   ASP   5           HA       ASP   5   4.971  -0.419  -9.044
   34    HB2  ASP   5           HB2      ASP   5   4.860   1.809 -10.992
   35    HB3  ASP   5           HB3      ASP   5   3.579   0.740 -10.425
   36    H    CYS   6           H        CYS   6   7.364   1.804 -10.437
   37    HA   CYS   6           HA       CYS   6   7.967   0.349 -12.738
   38    HB2  CYS   6           HB2      CYS   6  10.001   1.932 -11.171
   39    HB3  CYS   6           HB3      CYS   6   9.932   1.674 -12.912
   40    H    CYS   7           H        CYS   7   8.969  -0.105  -9.429
   41    HA   CYS   7           HA       CYS   7  11.143  -1.862  -9.965
   42    HB2  CYS   7           HB2      CYS   7  10.142  -0.584  -7.724
   43    HB3  CYS   7           HB3      CYS   7   9.804  -2.281  -7.403
   44    H    ARG   8           H        ARG   8   7.703  -2.260  -9.703
   45    HA   ARG   8           HA       ARG   8   7.799  -5.118  -9.372
   46    HB2  ARG   8           HB2      ARG   8   5.889  -4.108  -8.440
   47    HB3  ARG   8           HB3      ARG   8   5.597  -3.135  -9.875
   48    HG2  ARG   8           HG2      ARG   8   4.608  -4.861 -11.016
   49    HG3  ARG   8           HG3      ARG   8   5.455  -6.101 -10.088
   50    HD2  ARG   8           HD2      ARG   8   3.424  -6.316  -9.110
   51    HD3  ARG   8           HD3      ARG   8   4.032  -4.993  -8.117
   52    HE   ARG   8           HE       ARG   8   2.623  -4.146 -10.482
   53   HH11  ARG   8          HH11      ARG   8   2.346  -5.046  -7.131
   54   HH12  ARG   8          HH12      ARG   8   0.858  -4.192  -6.890
   55   HH21  ARG   8          HH21      ARG   8   0.664  -3.018 -10.177
   56   HH22  ARG   8          HH22      ARG   8  -0.098  -3.040  -8.623
   57    H    GLN   9           H        GLN   9   7.238  -2.856 -12.026
   58    HA   GLN   9           HA       GLN   9   7.039  -5.092 -13.906
   59    HB2  GLN   9           HB2      GLN   9   6.674  -2.153 -14.488
   60    HB3  GLN   9           HB3      GLN   9   6.205  -3.508 -15.506
   61    HG2  GLN   9           HG2      GLN   9   4.857  -4.018 -13.176
   62    HG3  GLN   9           HG3      GLN   9   4.803  -2.259 -13.283
   63   HE21  GLN   9          HE21      GLN   9   2.740  -4.394 -13.622
   64   HE22  GLN   9          HE22      GLN   9   2.007  -4.059 -15.150
   65    H    LYS  10           H        LYS  10   9.378  -3.169 -12.591
   66    HA   LYS  10           HA       LYS  10  11.500  -2.569 -13.167
   67    HB2  LYS  10           HB2      LYS  10  11.343  -4.881 -15.100
   68    HB3  LYS  10           HB3      LYS  10  12.781  -4.229 -14.325
   69    HG2  LYS  10           HG2      LYS  10  12.095  -5.062 -12.194
   70    HG3  LYS  10           HG3      LYS  10  10.519  -5.537 -12.832
   71    HD2  LYS  10           HD2      LYS  10  12.883  -6.664 -14.202
   72    HD3  LYS  10           HD3      LYS  10  12.582  -7.239 -12.561
   73    HE2  LYS  10           HE2      LYS  10  10.084  -7.281 -13.750
   74    HE3  LYS  10           HE3      LYS  10  11.168  -7.822 -15.031
   75    HZ1  LYS  10           HZ1      LYS  10  11.185  -9.800 -14.068
   76    HZ2  LYS  10           HZ2      LYS  10  10.262  -9.240 -12.766
   77    HZ3  LYS  10           HZ3      LYS  10  11.949  -9.131 -12.715
   78    H    THR  11           H        THR  11   9.609  -1.058 -14.481
   79    HA   THR  11           HA       THR  11  10.655  -0.804 -17.220
   80    HB   THR  11           HB       THR  11   8.653   0.145 -17.906
   81    HG1  THR  11           HG1      THR  11   7.850   1.660 -16.677
   82   HG21  THR  11          HG21      THR  11   8.159  -1.922 -15.799
   83   HG22  THR  11          HG22      THR  11   8.009  -2.051 -17.551
   84   HG23  THR  11          HG23      THR  11   6.797  -1.167 -16.625
   85    H    CYS  12           H        CYS  12  10.829   0.566 -14.156
   86    HA   CYS  12           HA       CYS  12  12.430   2.743 -15.085
   87    HB2  CYS  12           HB2      CYS  12  10.941   4.408 -15.122
   88    HB3  CYS  12           HB3      CYS  12   9.657   3.241 -14.819
   89    H    SER  13           H        SER  13  13.029   4.204 -13.145
   90    HA   SER  13           HA       SER  13  14.159   2.576 -11.155
   91    HB2  SER  13           HB2      SER  13  13.827   5.379 -10.374
   92    HB3  SER  13           HB3      SER  13  15.303   4.441 -10.606
   93    HG   SER  13           HG       SER  13  15.275   4.917 -12.750
   94    H    CYS  14           H        CYS  14  13.668   2.273  -8.989
   95    HA   CYS  14           HA       CYS  14  10.849   2.448  -8.348
   96    HB2  CYS  14           HB2      CYS  14  12.800   1.465  -6.335
   97    HB3  CYS  14           HB3      CYS  14  11.232   0.811  -6.797
   98    H    ARG  15           H        ARG  15  13.871   3.914  -7.344
   99    HA   ARG  15           HA       ARG  15  12.857   5.206  -5.026
  100    HB2  ARG  15           HB2      ARG  15  15.291   4.759  -5.564
  101    HB3  ARG  15           HB3      ARG  15  15.205   6.102  -6.696
  102    HG2  ARG  15           HG2      ARG  15  14.833   7.664  -4.967
  103    HG3  ARG  15           HG3      ARG  15  14.514   6.391  -3.788
  104    HD2  ARG  15           HD2      ARG  15  16.946   5.639  -4.391
  105    HD3  ARG  15           HD3      ARG  15  17.109   7.304  -4.947
  106    HE   ARG  15           HE       ARG  15  16.019   7.403  -2.398
  107   HH11  ARG  15          HH11      ARG  15  18.964   6.332  -3.916
  108   HH12  ARG  15          HH12      ARG  15  19.946   6.635  -2.522
  109   HH21  ARG  15          HH21      ARG  15  17.303   7.806  -0.556
  110   HH22  ARG  15          HH22      ARG  15  19.000   7.472  -0.610
  111    H    LEU  16           H        LEU  16  12.015   5.635  -8.153
  112    HA   LEU  16           HA       LEU  16  12.071   8.372  -8.627
  113    HB2  LEU  16           HB2      LEU  16  10.797   7.914 -10.422
  114    HB3  LEU  16           HB3      LEU  16  11.179   6.247  -9.997
  115    HG   LEU  16           HG       LEU  16   8.674   7.625  -9.058
  116   HD11  LEU  16          HD11      LEU  16   9.346   6.568 -11.703
  117   HD12  LEU  16          HD12      LEU  16   8.046   7.651 -11.206
  118   HD13  LEU  16          HD13      LEU  16   7.866   5.908 -11.008
  119   HD21  LEU  16          HD21      LEU  16   8.301   5.727  -7.973
  120   HD22  LEU  16          HD22      LEU  16   9.898   5.157  -8.460
  121   HD23  LEU  16          HD23      LEU  16   8.490   4.803  -9.463
  122    H    TYR  17           H        TYR  17   9.868   6.455  -6.680
  123    HA   TYR  17           HA       TYR  17   7.919   8.475  -6.281
  124    HB2  TYR  17           HB2      TYR  17   7.064   7.055  -4.512
  125    HB3  TYR  17           HB3      TYR  17   7.511   6.057  -5.892
  126    HD1  TYR  17           HD1      TYR  17   8.845   7.279  -2.631
  127    HD2  TYR  17           HD2      TYR  17   8.876   4.204  -5.571
  128    HE1  TYR  17           HE1      TYR  17  10.262   5.902  -1.167
  129    HE2  TYR  17           HE2      TYR  17  10.292   2.817  -4.114
  130    HH   TYR  17           HH       TYR  17  10.751   2.639  -1.622
  131    H    GLU  18           H        GLU  18  10.848   7.550  -4.553
  132    HA   GLU  18           HA       GLU  18  10.492   9.100  -2.251
  133    HB2  GLU  18           HB2      GLU  18  12.657   7.650  -3.525
  134    HB3  GLU  18           HB3      GLU  18  13.234   9.131  -2.774
  135    HG2  GLU  18           HG2      GLU  18  11.612   8.113  -0.834
  136    HG3  GLU  18           HG3      GLU  18  12.281   6.653  -1.560
  137    H    LEU  19           H        LEU  19  11.629   9.943  -5.455
  138    HA   LEU  19           HA       LEU  19  12.840  12.385  -4.975
  139    HB2  LEU  19           HB2      LEU  19  11.324  11.247  -7.277
  140    HB3  LEU  19           HB3      LEU  19  11.787  12.947  -7.312
  141    HG   LEU  19           HG       LEU  19  13.445  11.779  -8.518
  142   HD11  LEU  19          HD11      LEU  19  14.096  13.380  -6.514
  143   HD12  LEU  19          HD12      LEU  19  15.317  12.561  -7.486
  144   HD13  LEU  19          HD13      LEU  19  14.860  11.908  -5.913
  145   HD21  LEU  19          HD21      LEU  19  14.223   9.963  -6.320
  146   HD22  LEU  19          HD22      LEU  19  14.250   9.712  -8.065
  147   HD23  LEU  19          HD23      LEU  19  12.731   9.577  -7.177
  148    H    LEU  20           H        LEU  20   9.412  11.804  -5.767
  149    HA   LEU  20           HA       LEU  20   8.700  14.533  -5.202
  150    HB2  LEU  20           HB2      LEU  20   6.743  12.281  -5.445
  151    HB3  LEU  20           HB3      LEU  20   6.542  13.976  -5.884
  152    HG   LEU  20           HG       LEU  20   8.620  12.837  -7.484
  153   HD11  LEU  20          HD11      LEU  20   7.223  11.207  -8.730
  154   HD12  LEU  20          HD12      LEU  20   6.032  11.294  -7.433
  155   HD13  LEU  20          HD13      LEU  20   7.651  10.676  -7.103
  156   HD21  LEU  20          HD21      LEU  20   7.472  13.852  -9.201
  157   HD22  LEU  20          HD22      LEU  20   6.918  14.788  -7.813
  158   HD23  LEU  20          HD23      LEU  20   5.894  13.521  -8.489
  159    H    HIS  21           H        HIS  21   8.582  11.460  -3.523
  160    HA   HIS  21           HA       HIS  21   6.868  12.223  -1.419
  161    HB2  HIS  21           HB2      HIS  21   8.730  10.004  -1.970
  162    HB3  HIS  21           HB3      HIS  21   8.467  10.346  -0.262
  163    HD1  HIS  21           HD1      HIS  21   6.773   8.778   0.599
  164    HD2  HIS  21           HD2      HIS  21   5.860  10.067  -3.244
  165    HE1  HIS  21           HE1      HIS  21   4.570   7.705   0.035
  166    H    GLY  22           H        GLY  22  10.102  13.060  -2.136
  167    HA2  GLY  22           HA2      GLY  22  10.521  14.005   0.629
  168    HA3  GLY  22           HA3      GLY  22  11.812  13.641  -0.506
  169    H    ALA  23           H        ALA  23  10.787  14.960  -2.770
  170    HA   ALA  23           HA       ALA  23  11.454  17.687  -2.059
  171    HB1  ALA  23           HB1      ALA  23  12.136  16.227  -4.181
  172    HB2  ALA  23           HB2      ALA  23  10.693  17.001  -4.838
  173    HB3  ALA  23           HB3      ALA  23  12.025  17.987  -4.235
  174    H    GLY  24           H        GLY  24   8.685  16.053  -1.841
  175    HA2  GLY  24           HA2      GLY  24   6.966  18.106  -1.432
  176    HA3  GLY  24           HA3      GLY  24   6.892  17.884  -3.174
  177    H    ASN  25           H        ASN  25   6.368  16.301  -0.067
  178    HA   ASN  25           HA       ASN  25   5.037  14.041  -1.266
  179    HB2  ASN  25           HB2      ASN  25   4.721  13.247   0.983
  180    HB3  ASN  25           HB3      ASN  25   6.354  13.895   0.862
  181   HD21  ASN  25          HD21      ASN  25   3.268  14.185   2.331
  182   HD22  ASN  25          HD22      ASN  25   3.659  15.475   3.413
  183    H    HIS  26           H        HIS  26   4.128  17.048   0.298
  184    HA   HIS  26           HA       HIS  26   1.395  16.500   0.676
  185    HB2  HIS  26           HB2      HIS  26   2.959  19.053   0.368
  186    HB3  HIS  26           HB3      HIS  26   1.208  19.070   0.560
  187    HD1  HIS  26           HD1      HIS  26   3.360  20.198   2.631
  188    HD2  HIS  26           HD2      HIS  26   1.298  16.602   2.911
  189    HE1  HIS  26           HE1      HIS  26   3.363  19.611   5.076
  190    H    ALA  27           H        ALA  27   3.225  17.457  -2.125
  191    HA   ALA  27           HA       ALA  27   1.216  18.505  -3.744
  192    HB1  ALA  27           HB1      ALA  27   3.716  16.973  -4.410
  193    HB2  ALA  27           HB2      ALA  27   2.654  17.647  -5.648
  194    HB3  ALA  27           HB3      ALA  27   3.443  18.714  -4.487
  195    H    ALA  28           H        ALA  28   2.094  15.157  -3.079
  196    HA   ALA  28           HA       ALA  28   0.172  14.126  -4.985
  197    HB1  ALA  28           HB1      ALA  28   2.323  13.015  -3.318
  198    HB2  ALA  28           HB2      ALA  28   0.932  11.956  -3.559
  199    HB3  ALA  28           HB3      ALA  28   1.812  12.587  -4.951
  200    H    GLY  29           H        GLY  29   0.391  14.722  -1.547
  201    HA2  GLY  29           HA2      GLY  29  -1.847  13.124  -0.791
  202    HA3  GLY  29           HA3      GLY  29  -1.101  14.389   0.174
  203    H    ILE  30           H        ILE  30  -1.472  16.457  -1.834
  204    HA   ILE  30           HA       ILE  30  -4.226  17.104  -1.200
  205    HB   ILE  30           HB       ILE  30  -2.150  18.734  -2.668
  206   HG12  ILE  30          HG12      ILE  30  -1.815  18.072  -0.168
  207   HG13  ILE  30          HG13      ILE  30  -1.591  19.750  -0.650
  208   HG21  ILE  30          HG21      ILE  30  -3.949  20.488  -1.600
  209   HG22  ILE  30          HG22      ILE  30  -3.939  19.936  -3.275
  210   HG23  ILE  30          HG23      ILE  30  -4.987  19.151  -2.093
  211   HD11  ILE  30          HD11      ILE  30  -3.191  18.819   1.394
  212   HD12  ILE  30          HD12      ILE  30  -3.217  20.436   0.691
  213   HD13  ILE  30          HD13      ILE  30  -4.328  19.201   0.101
  214    H    LEU  31           H        LEU  31  -2.236  16.642  -4.098
  215    HA   LEU  31           HA       LEU  31  -4.215  17.218  -5.999
  216    HB2  LEU  31           HB2      LEU  31  -2.758  16.391  -7.586
  217    HB3  LEU  31           HB3      LEU  31  -1.676  16.873  -6.280
  218    HG   LEU  31           HG       LEU  31  -1.719  14.429  -5.560
  219   HD11  LEU  31          HD11      LEU  31  -3.183  13.126  -6.609
  220   HD12  LEU  31          HD12      LEU  31  -2.122  13.216  -8.015
  221   HD13  LEU  31          HD13      LEU  31  -3.476  14.334  -7.860
  222   HD21  LEU  31          HD21      LEU  31   0.091  13.892  -6.969
  223   HD22  LEU  31          HD22      LEU  31   0.119  15.648  -6.812
  224   HD23  LEU  31          HD23      LEU  31  -0.523  14.904  -8.277
  225    H    THR  32           H        THR  32  -3.540  14.338  -4.145
  226    HA   THR  32           HA       THR  32  -5.331  12.685  -5.708
  227    HB   THR  32           HB       THR  32  -3.319  11.703  -4.660
  228    HG1  THR  32           HG1      THR  32  -4.635  10.047  -4.857
  229   HG21  THR  32          HG21      THR  32  -2.975  11.573  -2.374
  230   HG22  THR  32          HG22      THR  32  -4.677  11.840  -1.998
  231   HG23  THR  32          HG23      THR  32  -3.673  13.184  -2.541
  232    H    LEU  33           H        LEU  33  -5.291  14.176  -2.490
  233    HA   LEU  33           HA       LEU  33  -8.195  14.190  -2.476
  234    HB2  LEU  33           HB2      LEU  33  -6.538  12.468  -0.748
  235    HB3  LEU  33           HB3      LEU  33  -7.821  13.362   0.063
  236    HG   LEU  33           HG       LEU  33  -8.827  12.061  -2.305
  237   HD11  LEU  33          HD11      LEU  33  -8.016  10.051  -0.282
  238   HD12  LEU  33          HD12      LEU  33  -6.800  10.587  -1.442
  239   HD13  LEU  33          HD13      LEU  33  -8.306   9.868  -2.012
  240   HD21  LEU  33          HD21      LEU  33  -9.416  11.856   0.643
  241   HD22  LEU  33          HD22      LEU  33 -10.373  11.079  -0.618
  242   HD23  LEU  33          HD23      LEU  33 -10.263  12.839  -0.552
  243    HN1  NH2  34           HN1      NH2  34  -7.672  17.318  -1.116
  244    HN2  NH2  34           HN2      NH2  34  -7.969  16.435  -2.571
  Start of MODEL   13
    1    H1   PCA   1           H1       PCA   1   5.652   0.281   4.774
    2    HA   PCA   1           HA       PCA   1   4.885   2.822   4.392
    3    HB2  PCA   1           HB2      PCA   1   6.811   4.176   4.009
    4    HB3  PCA   1           HB3      PCA   1   7.833   2.775   3.641
    5    HG2  PCA   1           HG2      PCA   1   6.628   3.521   6.357
    6    HG3  PCA   1           HG3      PCA   1   8.305   3.062   6.001
    7    HA   PRO   2           HA       PRO   2   3.758   1.251   0.534
    8    HB2  PRO   2           HB2      PRO   2   3.460   3.547  -0.883
    9    HB3  PRO   2           HB3      PRO   2   2.334   3.048   0.386
   10    HG2  PRO   2           HG2      PRO   2   4.590   5.012   0.520
   11    HG3  PRO   2           HG3      PRO   2   2.955   5.139   1.193
   12    HD2  PRO   2           HD2      PRO   2   5.101   4.461   2.698
   13    HD3  PRO   2           HD3      PRO   2   3.472   3.837   3.024
   14    H    LEU   3           H        LEU   3   4.710   0.479  -1.270
   15    HA   LEU   3           HA       LEU   3   7.426   1.354  -1.850
   16    HB2  LEU   3           HB2      LEU   3   7.791  -0.762  -2.408
   17    HB3  LEU   3           HB3      LEU   3   6.169  -1.112  -1.816
   18    HG   LEU   3           HG       LEU   3   6.771  -0.386  -4.678
   19   HD11  LEU   3          HD11      LEU   3   7.891  -2.511  -3.826
   20   HD12  LEU   3          HD12      LEU   3   6.848  -2.659  -5.239
   21   HD13  LEU   3          HD13      LEU   3   6.261  -3.161  -3.653
   22   HD21  LEU   3          HD21      LEU   3   4.500   0.013  -4.205
   23   HD22  LEU   3          HD22      LEU   3   4.363  -1.445  -3.222
   24   HD23  LEU   3          HD23      LEU   3   4.547  -1.574  -4.972
   25    HA   PRO   4           HA       PRO   4   6.629   3.461  -5.615
   26    HB2  PRO   4           HB2      PRO   4   8.483   2.463  -7.329
   27    HB3  PRO   4           HB3      PRO   4   8.895   3.535  -5.985
   28    HG2  PRO   4           HG2      PRO   4   9.097   0.553  -6.159
   29    HG3  PRO   4           HG3      PRO   4  10.253   1.715  -5.482
   30    HD2  PRO   4           HD2      PRO   4   8.569   0.265  -3.935
   31    HD3  PRO   4           HD3      PRO   4   9.093   1.904  -3.499
   32    H    ASP   5           H        ASP   5   5.689   3.336  -7.687
   33    HA   ASP   5           HA       ASP   5   4.305   0.823  -8.193
   34    HB2  ASP   5           HB2      ASP   5   3.821   3.149  -9.959
   35    HB3  ASP   5           HB3      ASP   5   2.673   2.054  -9.194
   36    H    CYS   6           H        CYS   6   6.384   3.124  -9.922
   37    HA   CYS   6           HA       CYS   6   6.496   1.826 -12.377
   38    HB2  CYS   6           HB2      CYS   6   8.526   3.533 -10.937
   39    HB3  CYS   6           HB3      CYS   6   8.776   2.945 -12.578
   40    H    CYS   7           H        CYS   7   8.152   1.136  -9.380
   41    HA   CYS   7           HA       CYS   7  10.114  -0.615 -10.448
   42    HB2  CYS   7           HB2      CYS   7   9.763   0.533  -8.032
   43    HB3  CYS   7           HB3      CYS   7   9.150  -1.080  -7.684
   44    H    ARG   8           H        ARG   8   6.786  -1.008  -9.490
   45    HA   ARG   8           HA       ARG   8   6.887  -3.888  -9.475
   46    HB2  ARG   8           HB2      ARG   8   4.779  -1.816  -9.088
   47    HB3  ARG   8           HB3      ARG   8   4.270  -3.437  -9.541
   48    HG2  ARG   8           HG2      ARG   8   6.129  -3.769  -7.472
   49    HG3  ARG   8           HG3      ARG   8   5.082  -2.434  -6.985
   50    HD2  ARG   8           HD2      ARG   8   4.236  -4.626  -6.240
   51    HD3  ARG   8           HD3      ARG   8   3.119  -3.800  -7.325
   52    HE   ARG   8           HE       ARG   8   4.598  -5.401  -8.964
   53   HH11  ARG   8          HH11      ARG   8   2.648  -5.918  -6.127
   54   HH12  ARG   8          HH12      ARG   8   2.183  -7.524  -6.579
   55   HH21  ARG   8          HH21      ARG   8   3.993  -7.515  -9.571
   56   HH22  ARG   8          HH22      ARG   8   2.949  -8.432  -8.538
   57    H    GLN   9           H        GLN   9   5.947  -1.352 -11.715
   58    HA   GLN   9           HA       GLN   9   5.114  -3.348 -13.687
   59    HB2  GLN   9           HB2      GLN   9   4.907  -0.332 -13.732
   60    HB3  GLN   9           HB3      GLN   9   4.306  -1.405 -14.989
   61    HG2  GLN   9           HG2      GLN   9   3.202  -2.337 -12.590
   62    HG3  GLN   9           HG3      GLN   9   3.057  -0.580 -12.548
   63   HE21  GLN   9          HE21      GLN   9   1.943   0.466 -14.271
   64   HE22  GLN   9          HE22      GLN   9   0.741  -0.382 -15.178
   65    H    LYS  10           H        LYS  10   7.861  -1.717 -12.771
   66    HA   LYS  10           HA       LYS  10   9.875  -1.281 -13.741
   67    HB2  LYS  10           HB2      LYS  10   9.233  -3.255 -15.899
   68    HB3  LYS  10           HB3      LYS  10  10.754  -2.984 -15.059
   69    HG2  LYS  10           HG2      LYS  10   8.900  -3.812 -13.112
   70    HG3  LYS  10           HG3      LYS  10   8.696  -4.883 -14.501
   71    HD2  LYS  10           HD2      LYS  10  11.208  -4.336 -12.932
   72    HD3  LYS  10           HD3      LYS  10  10.350  -5.869 -13.110
   73    HE2  LYS  10           HE2      LYS  10  10.948  -5.001 -15.712
   74    HE3  LYS  10           HE3      LYS  10  12.406  -4.724 -14.761
   75    HZ1  LYS  10           HZ1      LYS  10  12.244  -6.963 -15.805
   76    HZ2  LYS  10           HZ2      LYS  10  10.937  -7.300 -14.785
   77    HZ3  LYS  10           HZ3      LYS  10  12.465  -6.995 -14.128
   78    H    THR  11           H        THR  11   7.917   0.510 -14.489
   79    HA   THR  11           HA       THR  11   8.390   0.946 -17.361
   80    HB   THR  11           HB       THR  11   6.209   1.390 -17.464
   81    HG1  THR  11           HG1      THR  11   6.867   3.566 -17.248
   82   HG21  THR  11          HG21      THR  11   6.073   0.084 -15.289
   83   HG22  THR  11          HG22      THR  11   4.738   1.187 -15.620
   84   HG23  THR  11          HG23      THR  11   5.995   1.643 -14.471
   85    H    CYS  12           H        CYS  12   9.530   1.884 -14.403
   86    HA   CYS  12           HA       CYS  12  11.105   3.979 -15.434
   87    HB2  CYS  12           HB2      CYS  12   9.794   5.519 -13.514
   88    HB3  CYS  12           HB3      CYS  12   9.713   5.726 -15.260
   89    H    SER  13           H        SER  13  12.241   5.192 -13.588
   90    HA   SER  13           HA       SER  13  13.501   3.348 -11.928
   91    HB2  SER  13           HB2      SER  13  13.623   5.979 -10.760
   92    HB3  SER  13           HB3      SER  13  14.887   5.078 -11.597
   93    HG   SER  13           HG       SER  13  12.998   6.884 -12.656
   94    H    CYS  14           H        CYS  14  13.401   2.941  -9.704
   95    HA   CYS  14           HA       CYS  14  10.734   3.182  -8.587
   96    HB2  CYS  14           HB2      CYS  14  13.000   1.916  -7.104
   97    HB3  CYS  14           HB3      CYS  14  11.302   1.453  -7.158
   98    H    ARG  15           H        ARG  15  13.995   3.685  -7.226
   99    HA   ARG  15           HA       ARG  15  13.409   5.043  -4.964
  100    HB2  ARG  15           HB2      ARG  15  15.590   6.181  -6.657
  101    HB3  ARG  15           HB3      ARG  15  15.587   5.806  -4.939
  102    HG2  ARG  15           HG2      ARG  15  15.439   3.342  -5.742
  103    HG3  ARG  15           HG3      ARG  15  16.034   3.998  -7.268
  104    HD2  ARG  15           HD2      ARG  15  18.069   4.582  -6.381
  105    HD3  ARG  15           HD3      ARG  15  17.427   4.750  -4.747
  106    HE   ARG  15           HE       ARG  15  17.247   2.062  -5.468
  107   HH11  ARG  15          HH11      ARG  15  19.692   4.462  -4.853
  108   HH12  ARG  15          HH12      ARG  15  20.866   3.314  -4.299
  109   HH21  ARG  15          HH21      ARG  15  18.783   0.540  -4.741
  110   HH22  ARG  15          HH22      ARG  15  20.348   1.083  -4.236
  111    H    LEU  16           H        LEU  16  12.854   6.138  -8.173
  112    HA   LEU  16           HA       LEU  16  12.887   8.895  -7.912
  113    HB2  LEU  16           HB2      LEU  16  12.067   8.853  -9.978
  114    HB3  LEU  16           HB3      LEU  16  12.132   7.096  -9.847
  115    HG   LEU  16           HG       LEU  16   9.696   8.701  -9.102
  116   HD11  LEU  16          HD11      LEU  16   8.848   8.529 -11.235
  117   HD12  LEU  16          HD12      LEU  16   9.944   7.221 -11.682
  118   HD13  LEU  16          HD13      LEU  16  10.548   8.873 -11.556
  119   HD21  LEU  16          HD21      LEU  16   8.896   6.744  -8.437
  120   HD22  LEU  16          HD22      LEU  16  10.439   5.980  -8.819
  121   HD23  LEU  16          HD23      LEU  16   9.173   6.072 -10.044
  122    H    TYR  17           H        TYR  17  10.359   6.593  -7.029
  123    HA   TYR  17           HA       TYR  17   8.377   8.488  -6.370
  124    HB2  TYR  17           HB2      TYR  17   7.119   6.696  -5.755
  125    HB3  TYR  17           HB3      TYR  17   8.381   5.805  -6.598
  126    HD1  TYR  17           HD1      TYR  17  10.489   5.248  -5.019
  127    HD2  TYR  17           HD2      TYR  17   6.508   5.918  -3.677
  128    HE1  TYR  17           HE1      TYR  17  10.976   3.985  -2.966
  129    HE2  TYR  17           HE2      TYR  17   6.984   4.658  -1.619
  130    HH   TYR  17           HH       TYR  17   9.323   4.145  -0.274
  131    H    GLU  18           H        GLU  18  10.987   7.023  -4.513
  132    HA   GLU  18           HA       GLU  18  10.231   7.877  -1.959
  133    HB2  GLU  18           HB2      GLU  18  12.538   6.692  -3.187
  134    HB3  GLU  18           HB3      GLU  18  13.056   7.978  -2.106
  135    HG2  GLU  18           HG2      GLU  18  11.255   6.734  -0.538
  136    HG3  GLU  18           HG3      GLU  18  11.831   5.376  -1.503
  137    H    LEU  19           H        LEU  19  11.857   9.552  -4.569
  138    HA   LEU  19           HA       LEU  19  12.881  11.740  -3.174
  139    HB2  LEU  19           HB2      LEU  19  11.967  11.313  -5.986
  140    HB3  LEU  19           HB3      LEU  19  12.414  12.931  -5.448
  141    HG   LEU  19           HG       LEU  19  14.614  11.677  -4.676
  142   HD11  LEU  19          HD11      LEU  19  14.838   9.592  -5.384
  143   HD12  LEU  19          HD12      LEU  19  14.634  10.128  -7.052
  144   HD13  LEU  19          HD13      LEU  19  13.227   9.654  -6.099
  145   HD21  LEU  19          HD21      LEU  19  14.187  12.298  -7.588
  146   HD22  LEU  19          HD22      LEU  19  15.667  12.461  -6.644
  147   HD23  LEU  19          HD23      LEU  19  14.307  13.545  -6.347
  148    H    LEU  20           H        LEU  20   9.725  11.372  -4.778
  149    HA   LEU  20           HA       LEU  20   8.783  13.909  -3.808
  150    HB2  LEU  20           HB2      LEU  20   7.251  11.639  -5.068
  151    HB3  LEU  20           HB3      LEU  20   6.664  13.284  -4.830
  152    HG   LEU  20           HG       LEU  20   8.543  14.023  -6.369
  153   HD11  LEU  20          HD11      LEU  20   9.097  12.057  -7.998
  154   HD12  LEU  20          HD12      LEU  20   8.784  11.059  -6.578
  155   HD13  LEU  20          HD13      LEU  20  10.044  12.293  -6.528
  156   HD21  LEU  20          HD21      LEU  20   6.492  14.184  -7.370
  157   HD22  LEU  20          HD22      LEU  20   6.124  12.473  -7.147
  158   HD23  LEU  20          HD23      LEU  20   7.250  12.976  -8.409
  159    H    HIS  21           H        HIS  21   8.138  10.503  -3.052
  160    HA   HIS  21           HA       HIS  21   6.211  10.992  -1.048
  161    HB2  HIS  21           HB2      HIS  21   7.784   8.684  -1.995
  162    HB3  HIS  21           HB3      HIS  21   7.285   8.601  -0.308
  163    HD1  HIS  21           HD1      HIS  21   5.038   7.643   0.065
  164    HD2  HIS  21           HD2      HIS  21   5.433   9.215  -3.761
  165    HE1  HIS  21           HE1      HIS  21   2.882   7.099  -1.112
  166    H    GLY  22           H        GLY  22   9.458  11.713  -1.093
  167    HA2  GLY  22           HA2      GLY  22   9.668  11.513   1.846
  168    HA3  GLY  22           HA3      GLY  22  11.043  11.510   0.753
  169    H    ALA  23           H        ALA  23  10.314  13.637  -0.916
  170    HA   ALA  23           HA       ALA  23  10.912  15.861   0.860
  171    HB1  ALA  23           HB1      ALA  23  10.668  16.174  -2.095
  172    HB2  ALA  23           HB2      ALA  23  11.773  16.958  -0.965
  173    HB3  ALA  23           HB3      ALA  23  12.036  15.279  -1.433
  174    H    GLY  24           H        GLY  24   8.145  14.457   0.057
  175    HA2  GLY  24           HA2      GLY  24   6.404  16.370   0.875
  176    HA3  GLY  24           HA3      GLY  24   6.610  16.732  -0.832
  177    H    ASN  25           H        ASN  25   5.805  14.066   1.375
  178    HA   ASN  25           HA       ASN  25   4.687  12.380  -0.583
  179    HB2  ASN  25           HB2      ASN  25   5.376  11.653   1.700
  180    HB3  ASN  25           HB3      ASN  25   3.981  12.504   2.356
  181   HD21  ASN  25          HD21      ASN  25   5.131   9.636   0.996
  182   HD22  ASN  25          HD22      ASN  25   3.620   8.812   0.845
  183    H    HIS  26           H        HIS  26   3.281  14.883   1.472
  184    HA   HIS  26           HA       HIS  26   0.581  14.411   0.840
  185    HB2  HIS  26           HB2      HIS  26   2.140  16.560   2.108
  186    HB3  HIS  26           HB3      HIS  26   0.657  17.101   1.327
  187    HD1  HIS  26           HD1      HIS  26   1.023  17.179   4.406
  188    HD2  HIS  26           HD2      HIS  26  -0.828  14.099   2.321
  189    HE1  HIS  26           HE1      HIS  26  -0.492  16.056   6.070
  190    H    ALA  27           H        ALA  27   3.126  16.075  -0.853
  191    HA   ALA  27           HA       ALA  27   1.652  17.690  -2.578
  192    HB1  ALA  27           HB1      ALA  27   4.343  16.860  -2.322
  193    HB2  ALA  27           HB2      ALA  27   3.867  16.604  -4.001
  194    HB3  ALA  27           HB3      ALA  27   3.696  18.199  -3.270
  195    H    ALA  28           H        ALA  28   2.375  14.251  -2.734
  196    HA   ALA  28           HA       ALA  28   1.165  13.975  -5.355
  197    HB1  ALA  28           HB1      ALA  28   3.022  12.570  -5.016
  198    HB2  ALA  28           HB2      ALA  28   2.425  12.023  -3.449
  199    HB3  ALA  28           HB3      ALA  28   1.612  11.514  -4.929
  200    H    GLY  29           H        GLY  29   0.332  13.444  -1.997
  201    HA2  GLY  29           HA2      GLY  29  -1.936  11.807  -2.403
  202    HA3  GLY  29           HA3      GLY  29  -1.621  12.791  -0.981
  203    H    ILE  30           H        ILE  30  -1.532  15.311  -2.326
  204    HA   ILE  30           HA       ILE  30  -4.395  15.725  -2.626
  205    HB   ILE  30           HB       ILE  30  -2.143  17.736  -2.538
  206   HG12  ILE  30          HG12      ILE  30  -2.318  16.627  -0.413
  207   HG13  ILE  30          HG13      ILE  30  -3.074  18.209  -0.253
  208   HG21  ILE  30          HG21      ILE  30  -4.642  18.854  -1.811
  209   HG22  ILE  30          HG22      ILE  30  -3.619  19.257  -3.189
  210   HG23  ILE  30          HG23      ILE  30  -4.855  18.008  -3.344
  211   HD11  ILE  30          HD11      ILE  30  -5.234  16.794  -0.880
  212   HD12  ILE  30          HD12      ILE  30  -4.270  15.511  -0.148
  213   HD13  ILE  30          HD13      ILE  30  -4.651  16.964   0.776
  214    H    LEU  31           H        LEU  31  -1.428  16.062  -4.501
  215    HA   LEU  31           HA       LEU  31  -2.406  17.413  -6.718
  216    HB2  LEU  31           HB2      LEU  31  -0.203  15.454  -6.284
  217    HB3  LEU  31           HB3      LEU  31  -0.622  15.912  -7.933
  218    HG   LEU  31           HG       LEU  31   0.094  17.928  -5.815
  219   HD11  LEU  31          HD11      LEU  31   1.819  16.009  -6.828
  220   HD12  LEU  31          HD12      LEU  31   2.267  17.528  -6.053
  221   HD13  LEU  31          HD13      LEU  31   2.131  17.440  -7.809
  222   HD21  LEU  31          HD21      LEU  31  -1.125  18.342  -8.159
  223   HD22  LEU  31          HD22      LEU  31   0.552  18.354  -8.706
  224   HD23  LEU  31          HD23      LEU  31   0.022  19.484  -7.458
  225    H    THR  32           H        THR  32  -2.605  14.000  -5.889
  226    HA   THR  32           HA       THR  32  -3.981  13.409  -8.398
  227    HB   THR  32           HB       THR  32  -2.294  11.800  -7.720
  228    HG1  THR  32           HG1      THR  32  -4.362  11.091  -8.682
  229   HG21  THR  32          HG21      THR  32  -3.130  12.326  -5.144
  230   HG22  THR  32          HG22      THR  32  -2.011  11.051  -5.627
  231   HG23  THR  32          HG23      THR  32  -3.727  10.693  -5.436
  232    H    LEU  33           H        LEU  33  -4.558  13.562  -4.932
  233    HA   LEU  33           HA       LEU  33  -6.479  13.688  -3.719
  234    HB2  LEU  33           HB2      LEU  33  -7.081  15.183  -5.736
  235    HB3  LEU  33           HB3      LEU  33  -8.059  13.814  -6.262
  236    HG   LEU  33           HG       LEU  33  -9.192  13.982  -3.969
  237   HD11  LEU  33          HD11      LEU  33  -7.279  16.105  -3.756
  238   HD12  LEU  33          HD12      LEU  33  -8.392  15.477  -2.542
  239   HD13  LEU  33          HD13      LEU  33  -8.916  16.752  -3.641
  240   HD21  LEU  33          HD21      LEU  33 -10.322  14.580  -6.015
  241   HD22  LEU  33          HD22      LEU  33  -9.521  16.151  -6.038
  242   HD23  LEU  33          HD23      LEU  33 -10.690  15.776  -4.772
  243    HN1  NH2  34           HN1      NH2  34  -8.941  11.303  -5.505
  244    HN2  NH2  34           HN2      NH2  34  -7.688  11.717  -6.621
  Start of MODEL   14
    1    H1   PCA   1           H1       PCA   1   2.564   3.696   3.169
    2    HA   PCA   1           HA       PCA   1   5.184   4.110   2.779
    3    HB2  PCA   1           HB2      PCA   1   6.430   2.681   4.227
    4    HB3  PCA   1           HB3      PCA   1   5.038   1.626   4.531
    5    HG2  PCA   1           HG2      PCA   1   5.398   4.524   5.457
    6    HG3  PCA   1           HG3      PCA   1   4.878   3.131   6.425
    7    HA   PRO   2           HA       PRO   2   2.760   1.587  -0.204
    8    HB2  PRO   2           HB2      PRO   2   2.857   3.456  -2.170
    9    HB3  PRO   2           HB3      PRO   2   1.601   3.434  -0.927
   10    HG2  PRO   2           HG2      PRO   2   4.085   5.096  -1.079
   11    HG3  PRO   2           HG3      PRO   2   2.444   5.578  -0.613
   12    HD2  PRO   2           HD2      PRO   2   4.385   5.075   1.206
   13    HD3  PRO   2           HD3      PRO   2   2.670   4.745   1.524
   14    H    LEU   3           H        LEU   3   3.701   0.281  -1.679
   15    HA   LEU   3           HA       LEU   3   6.536   0.396  -2.030
   16    HB2  LEU   3           HB2      LEU   3   6.368  -1.727  -2.763
   17    HB3  LEU   3           HB3      LEU   3   4.777  -1.617  -2.013
   18    HG   LEU   3           HG       LEU   3   4.294  -0.755  -4.577
   19   HD11  LEU   3          HD11      LEU   3   6.153  -3.113  -4.783
   20   HD12  LEU   3          HD12      LEU   3   6.624  -1.456  -5.159
   21   HD13  LEU   3          HD13      LEU   3   5.357  -2.246  -6.096
   22   HD21  LEU   3          HD21      LEU   3   3.818  -3.154  -2.963
   23   HD22  LEU   3          HD22      LEU   3   3.707  -3.410  -4.705
   24   HD23  LEU   3          HD23      LEU   3   2.698  -2.190  -3.926
   25    HA   PRO   4           HA       PRO   4   6.913   2.604  -5.803
   26    HB2  PRO   4           HB2      PRO   4   8.919   1.255  -7.040
   27    HB3  PRO   4           HB3      PRO   4   9.184   2.293  -5.634
   28    HG2  PRO   4           HG2      PRO   4   8.919  -0.685  -5.766
   29    HG3  PRO   4           HG3      PRO   4  10.065   0.296  -4.834
   30    HD2  PRO   4           HD2      PRO   4   7.852  -0.803  -3.727
   31    HD3  PRO   4           HD3      PRO   4   8.528   0.743  -3.176
   32    H    ASP   5           H        ASP   5   5.921   2.644  -7.735
   33    HA   ASP   5           HA       ASP   5   4.566   0.278  -8.663
   34    HB2  ASP   5           HB2      ASP   5   3.894   1.960 -10.552
   35    HB3  ASP   5           HB3      ASP   5   3.233   2.156  -8.932
   36    H    CYS   6           H        CYS   6   7.091   2.432  -9.928
   37    HA   CYS   6           HA       CYS   6   7.481   1.191 -12.392
   38    HB2  CYS   6           HB2      CYS   6   9.631   2.480 -10.701
   39    HB3  CYS   6           HB3      CYS   6   9.630   2.292 -12.452
   40    H    CYS   7           H        CYS   7   8.552   0.289  -9.199
   41    HA   CYS   7           HA       CYS   7  10.543  -1.573 -10.008
   42    HB2  CYS   7           HB2      CYS   7   9.701  -0.488  -7.599
   43    HB3  CYS   7           HB3      CYS   7   9.252  -2.185  -7.464
   44    H    ARG   8           H        ARG   8   7.091  -1.711  -9.674
   45    HA   ARG   8           HA       ARG   8   6.944  -4.585  -9.664
   46    HB2  ARG   8           HB2      ARG   8   5.183  -3.380  -8.564
   47    HB3  ARG   8           HB3      ARG   8   4.855  -2.434 -10.009
   48    HG2  ARG   8           HG2      ARG   8   4.584  -5.133 -10.746
   49    HG3  ARG   8           HG3      ARG   8   3.752  -4.940  -9.202
   50    HD2  ARG   8           HD2      ARG   8   2.950  -2.711 -10.550
   51    HD3  ARG   8           HD3      ARG   8   3.083  -3.888 -11.856
   52    HE   ARG   8           HE       ARG   8   1.112  -3.829  -9.780
   53   HH11  ARG   8          HH11      ARG   8   2.858  -5.894 -11.973
   54   HH12  ARG   8          HH12      ARG   8   1.637  -7.124 -11.992
   55   HH21  ARG   8          HH21      ARG   8  -0.502  -5.441  -9.798
   56   HH22  ARG   8          HH22      ARG   8  -0.274  -6.864 -10.756
   57    H    GLN   9           H        GLN   9   6.534  -2.002 -12.037
   58    HA   GLN   9           HA       GLN   9   6.096  -3.989 -14.143
   59    HB2  GLN   9           HB2      GLN   9   5.981  -0.980 -14.371
   60    HB3  GLN   9           HB3      GLN   9   5.397  -2.156 -15.540
   61    HG2  GLN   9           HG2      GLN   9   4.019  -2.849 -13.285
   62    HG3  GLN   9           HG3      GLN   9   4.120  -1.095 -13.145
   63   HE21  GLN   9          HE21      GLN   9   1.688  -2.120 -13.411
   64   HE22  GLN   9          HE22      GLN   9   1.053  -1.843 -14.994
   65    H    LYS  10           H        LYS  10   8.622  -2.418 -12.699
   66    HA   LYS  10           HA       LYS  10  10.778  -1.943 -13.270
   67    HB2  LYS  10           HB2      LYS  10  10.121  -4.236 -15.109
   68    HB3  LYS  10           HB3      LYS  10  11.730  -3.529 -15.044
   69    HG2  LYS  10           HG2      LYS  10  11.840  -4.054 -12.644
   70    HG3  LYS  10           HG3      LYS  10  10.254  -4.820 -12.758
   71    HD2  LYS  10           HD2      LYS  10  11.819  -6.578 -12.904
   72    HD3  LYS  10           HD3      LYS  10  11.264  -6.302 -14.557
   73    HE2  LYS  10           HE2      LYS  10  13.261  -5.349 -15.209
   74    HE3  LYS  10           HE3      LYS  10  13.691  -4.874 -13.566
   75    HZ1  LYS  10           HZ1      LYS  10  13.472  -7.728 -14.003
   76    HZ2  LYS  10           HZ2      LYS  10  14.643  -6.848 -13.157
   77    HZ3  LYS  10           HZ3      LYS  10  14.736  -6.977 -14.841
   78    H    THR  11           H        THR  11   9.014  -0.145 -14.369
   79    HA   THR  11           HA       THR  11  10.009   0.285 -17.105
   80    HB   THR  11           HB       THR  11   8.093   1.481 -17.623
   81    HG1  THR  11           HG1      THR  11   7.693   2.984 -16.165
   82   HG21  THR  11          HG21      THR  11   7.252  -0.674 -17.447
   83   HG22  THR  11          HG22      THR  11   6.150   0.236 -16.414
   84   HG23  THR  11          HG23      THR  11   7.448  -0.717 -15.695
   85    H    CYS  12           H        CYS  12  10.396   1.319 -13.929
   86    HA   CYS  12           HA       CYS  12  12.189   3.405 -14.692
   87    HB2  CYS  12           HB2      CYS  12  10.913   5.230 -14.485
   88    HB3  CYS  12           HB3      CYS  12   9.508   4.174 -14.379
   89    H    SER  13           H        SER  13  12.886   4.653 -12.600
   90    HA   SER  13           HA       SER  13  13.917   2.741 -10.811
   91    HB2  SER  13           HB2      SER  13  14.064   5.638 -11.162
   92    HB3  SER  13           HB3      SER  13  14.119   5.154  -9.468
   93    HG   SER  13           HG       SER  13  15.711   3.812 -11.353
   94    H    CYS  14           H        CYS  14  13.340   2.122  -8.774
   95    HA   CYS  14           HA       CYS  14  10.583   2.425  -8.054
   96    HB2  CYS  14           HB2      CYS  14  12.539   1.271  -6.129
   97    HB3  CYS  14           HB3      CYS  14  10.932   0.705  -6.574
   98    H    ARG  15           H        ARG  15  13.587   3.896  -7.111
   99    HA   ARG  15           HA       ARG  15  12.653   5.008  -4.653
  100    HB2  ARG  15           HB2      ARG  15  15.106   4.645  -5.652
  101    HB3  ARG  15           HB3      ARG  15  14.866   6.316  -6.146
  102    HG2  ARG  15           HG2      ARG  15  14.856   7.098  -3.997
  103    HG3  ARG  15           HG3      ARG  15  14.283   5.569  -3.328
  104    HD2  ARG  15           HD2      ARG  15  16.533   5.774  -2.644
  105    HD3  ARG  15           HD3      ARG  15  16.532   4.602  -3.961
  106    HE   ARG  15           HE       ARG  15  17.056   7.325  -4.763
  107   HH11  ARG  15          HH11      ARG  15  18.418   4.299  -3.711
  108   HH12  ARG  15          HH12      ARG  15  19.982   4.618  -4.384
  109   HH21  ARG  15          HH21      ARG  15  19.111   7.758  -5.655
  110   HH22  ARG  15          HH22      ARG  15  20.375   6.586  -5.489
  111    H    LEU  16           H        LEU  16  11.576   5.571  -7.636
  112    HA   LEU  16           HA       LEU  16  11.643   8.333  -8.021
  113    HB2  LEU  16           HB2      LEU  16  10.119   8.003  -9.680
  114    HB3  LEU  16           HB3      LEU  16  10.722   6.358  -9.486
  115    HG   LEU  16           HG       LEU  16   8.353   6.255  -9.736
  116   HD11  LEU  16          HD11      LEU  16   8.255   4.658  -8.204
  117   HD12  LEU  16          HD12      LEU  16   8.119   5.855  -6.917
  118   HD13  LEU  16          HD13      LEU  16   9.710   5.316  -7.454
  119   HD21  LEU  16          HD21      LEU  16   6.869   7.707  -8.878
  120   HD22  LEU  16          HD22      LEU  16   8.280   8.741  -8.654
  121   HD23  LEU  16          HD23      LEU  16   7.677   7.768  -7.312
  122    H    TYR  17           H        TYR  17   9.701   6.376  -5.889
  123    HA   TYR  17           HA       TYR  17   7.721   8.331  -5.314
  124    HB2  TYR  17           HB2      TYR  17   7.144   6.890  -3.411
  125    HB3  TYR  17           HB3      TYR  17   7.347   5.949  -4.885
  126    HD1  TYR  17           HD1      TYR  17   9.165   7.000  -1.808
  127    HD2  TYR  17           HD2      TYR  17   8.775   4.106  -4.903
  128    HE1  TYR  17           HE1      TYR  17  10.788   5.555  -0.654
  129    HE2  TYR  17           HE2      TYR  17  10.395   2.653  -3.757
  130    HH   TYR  17           HH       TYR  17  12.363   3.725  -1.237
  131    H    GLU  18           H        GLU  18  10.824   7.486  -3.869
  132    HA   GLU  18           HA       GLU  18  10.640   9.035  -1.545
  133    HB2  GLU  18           HB2      GLU  18  12.722   7.640  -3.015
  134    HB3  GLU  18           HB3      GLU  18  13.322   9.127  -2.294
  135    HG2  GLU  18           HG2      GLU  18  11.696   7.669  -0.421
  136    HG3  GLU  18           HG3      GLU  18  12.991   6.656  -1.056
  137    H    LEU  19           H        LEU  19  11.462   9.890  -4.840
  138    HA   LEU  19           HA       LEU  19  12.647  12.370  -4.455
  139    HB2  LEU  19           HB2      LEU  19  11.033  11.154  -6.643
  140    HB3  LEU  19           HB3      LEU  19  11.410  12.874  -6.721
  141    HG   LEU  19           HG       LEU  19  13.872  12.000  -6.343
  142   HD11  LEU  19          HD11      LEU  19  14.175   9.811  -6.487
  143   HD12  LEU  19          HD12      LEU  19  13.407   9.790  -8.074
  144   HD13  LEU  19          HD13      LEU  19  12.431   9.583  -6.619
  145   HD21  LEU  19          HD21      LEU  19  12.236  12.194  -8.830
  146   HD22  LEU  19          HD22      LEU  19  13.914  11.661  -8.935
  147   HD23  LEU  19          HD23      LEU  19  13.531  13.241  -8.249
  148    H    LEU  20           H        LEU  20   9.195  11.662  -4.990
  149    HA   LEU  20           HA       LEU  20   8.424  14.373  -4.425
  150    HB2  LEU  20           HB2      LEU  20   6.520  12.069  -4.435
  151    HB3  LEU  20           HB3      LEU  20   6.258  13.733  -4.952
  152    HG   LEU  20           HG       LEU  20   8.245  12.476  -6.611
  153   HD11  LEU  20          HD11      LEU  20   7.258  10.371  -6.143
  154   HD12  LEU  20          HD12      LEU  20   6.644  10.885  -7.714
  155   HD13  LEU  20          HD13      LEU  20   5.627  11.029  -6.281
  156   HD21  LEU  20          HD21      LEU  20   5.483  13.274  -7.445
  157   HD22  LEU  20          HD22      LEU  20   7.002  13.415  -8.330
  158   HD23  LEU  20          HD23      LEU  20   6.669  14.491  -6.971
  159    H    HIS  21           H        HIS  21   8.506  11.326  -2.682
  160    HA   HIS  21           HA       HIS  21   6.961  12.111  -0.459
  161    HB2  HIS  21           HB2      HIS  21   8.899   9.934  -1.047
  162    HB3  HIS  21           HB3      HIS  21   8.562  10.272   0.648
  163    HD1  HIS  21           HD1      HIS  21   7.068   8.399   1.315
  164    HD2  HIS  21           HD2      HIS  21   5.907  10.124  -2.281
  165    HE1  HIS  21           HE1      HIS  21   4.887   7.300   0.716
  166    H    GLY  22           H        GLY  22  10.107  12.984  -1.457
  167    HA2  GLY  22           HA2      GLY  22  10.784  13.929   1.252
  168    HA3  GLY  22           HA3      GLY  22  11.944  13.656  -0.039
  169    H    ALA  23           H        ALA  23  10.636  14.973  -2.132
  170    HA   ALA  23           HA       ALA  23  11.246  17.711  -1.431
  171    HB1  ALA  23           HB1      ALA  23  11.572  18.062  -3.637
  172    HB2  ALA  23           HB2      ALA  23  11.670  16.301  -3.678
  173    HB3  ALA  23           HB3      ALA  23  10.164  17.110  -4.109
  174    H    GLY  24           H        GLY  24   8.589  15.931  -0.949
  175    HA2  GLY  24           HA2      GLY  24   6.808  17.686  -0.123
  176    HA3  GLY  24           HA3      GLY  24   6.647  17.922  -1.857
  177    H    ASN  25           H        ASN  25   6.089  15.755   0.815
  178    HA   ASN  25           HA       ASN  25   5.063  13.588  -0.712
  179    HB2  ASN  25           HB2      ASN  25   4.267  12.707   1.407
  180    HB3  ASN  25           HB3      ASN  25   5.891  13.356   1.617
  181   HD21  ASN  25          HD21      ASN  25   3.478  12.940   3.411
  182   HD22  ASN  25          HD22      ASN  25   3.304  14.453   4.227
  183    H    HIS  26           H        HIS  26   3.661  16.482   0.680
  184    HA   HIS  26           HA       HIS  26   0.947  15.774   0.468
  185    HB2  HIS  26           HB2      HIS  26   2.473  18.305   0.761
  186    HB3  HIS  26           HB3      HIS  26   0.817  18.439   0.177
  187    HD1  HIS  26           HD1      HIS  26  -0.689  18.966   2.050
  188    HD2  HIS  26           HD2      HIS  26   2.354  16.388   3.212
  189    HE1  HIS  26           HE1      HIS  26  -1.119  18.469   4.478
  190    H    ALA  27           H        ALA  27   3.255  16.949  -1.867
  191    HA   ALA  27           HA       ALA  27   1.554  17.895  -3.857
  192    HB1  ALA  27           HB1      ALA  27   4.189  16.464  -4.184
  193    HB2  ALA  27           HB2      ALA  27   3.386  17.436  -5.418
  194    HB3  ALA  27           HB3      ALA  27   3.966  18.197  -3.937
  195    H    ALA  28           H        ALA  28   2.570  14.601  -3.107
  196    HA   ALA  28           HA       ALA  28   1.191  13.489  -5.390
  197    HB1  ALA  28           HB1      ALA  28   3.332  12.603  -4.205
  198    HB2  ALA  28           HB2      ALA  28   2.184  11.838  -3.107
  199    HB3  ALA  28           HB3      ALA  28   2.140  11.462  -4.829
  200    H    GLY  29           H        GLY  29   0.565  14.036  -2.001
  201    HA2  GLY  29           HA2      GLY  29  -1.662  12.253  -1.801
  202    HA3  GLY  29           HA3      GLY  29  -1.238  13.520  -0.660
  203    H    ILE  30           H        ILE  30  -1.276  15.608  -2.723
  204    HA   ILE  30           HA       ILE  30  -4.119  16.135  -2.637
  205    HB   ILE  30           HB       ILE  30  -1.779  17.777  -3.592
  206   HG12  ILE  30          HG12      ILE  30  -2.389  17.336  -1.081
  207   HG13  ILE  30          HG13      ILE  30  -1.974  18.963  -1.609
  208   HG21  ILE  30          HG21      ILE  30  -4.722  18.356  -3.724
  209   HG22  ILE  30          HG22      ILE  30  -3.513  19.639  -3.697
  210   HG23  ILE  30          HG23      ILE  30  -3.521  18.462  -5.011
  211   HD11  ILE  30          HD11      ILE  30  -4.818  18.036  -1.509
  212   HD12  ILE  30          HD12      ILE  30  -3.996  18.673  -0.084
  213   HD13  ILE  30          HD13      ILE  30  -4.186  19.682  -1.518
  214    H    LEU  31           H        LEU  31  -1.627  15.893  -5.169
  215    HA   LEU  31           HA       LEU  31  -3.341  16.226  -7.361
  216    HB2  LEU  31           HB2      LEU  31  -1.443  16.088  -8.498
  217    HB3  LEU  31           HB3      LEU  31  -0.628  15.803  -6.962
  218    HG   LEU  31           HG       LEU  31  -1.700  13.610  -8.730
  219   HD11  LEU  31          HD11      LEU  31   0.191  15.086  -9.670
  220   HD12  LEU  31          HD12      LEU  31   0.402  13.335  -9.675
  221   HD13  LEU  31          HD13      LEU  31   1.195  14.315  -8.441
  222   HD21  LEU  31          HD21      LEU  31  -1.299  12.319  -6.971
  223   HD22  LEU  31          HD22      LEU  31  -0.683  13.693  -6.053
  224   HD23  LEU  31          HD23      LEU  31   0.406  12.758  -7.078
  225    H    THR  32           H        THR  32  -2.593  13.435  -5.403
  226    HA   THR  32           HA       THR  32  -3.781  11.536  -7.205
  227    HB   THR  32           HB       THR  32  -1.985  10.907  -5.600
  228    HG1  THR  32           HG1      THR  32  -2.863   9.021  -5.950
  229   HG21  THR  32          HG21      THR  32  -2.990  12.309  -3.720
  230   HG22  THR  32          HG22      THR  32  -2.374  10.715  -3.281
  231   HG23  THR  32          HG23      THR  32  -4.109  10.969  -3.470
  232    H    LEU  33           H        LEU  33  -4.726  13.005  -4.107
  233    HA   LEU  33           HA       LEU  33  -7.178  11.719  -3.796
  234    HB2  LEU  33           HB2      LEU  33  -5.942  14.204  -2.785
  235    HB3  LEU  33           HB3      LEU  33  -7.698  14.102  -2.670
  236    HG   LEU  33           HG       LEU  33  -5.806  12.057  -1.514
  237   HD11  LEU  33          HD11      LEU  33  -6.869  14.608  -0.433
  238   HD12  LEU  33          HD12      LEU  33  -5.329  13.804  -0.136
  239   HD13  LEU  33          HD13      LEU  33  -6.795  13.216   0.648
  240   HD21  LEU  33          HD21      LEU  33  -8.472  11.833  -2.102
  241   HD22  LEU  33          HD22      LEU  33  -8.496  12.353  -0.416
  242   HD23  LEU  33          HD23      LEU  33  -7.611  10.899  -0.878
  243    HN1  NH2  34           HN1      NH2  34  -7.025  15.199  -4.819
  244    HN2  NH2  34           HN2      NH2  34  -8.728  15.106  -5.092
  Start of MODEL   15
    1    H1   PCA   1           H1       PCA   1   2.159   2.423   2.596
    2    HA   PCA   1           HA       PCA   1   2.256   4.763   1.291
    3    HB2  PCA   1           HB2      PCA   1   4.508   5.550   1.254
    4    HB3  PCA   1           HB3      PCA   1   5.166   3.956   1.666
    5    HG2  PCA   1           HG2      PCA   1   3.509   5.794   3.471
    6    HG3  PCA   1           HG3      PCA   1   5.026   4.961   3.867
    7    HA   PRO   2           HA       PRO   2   1.846   2.156  -2.124
    8    HB2  PRO   2           HB2      PRO   2   2.564   3.839  -4.129
    9    HB3  PRO   2           HB3      PRO   2   1.045   3.997  -3.240
   10    HG2  PRO   2           HG2      PRO   2   3.612   5.494  -2.883
   11    HG3  PRO   2           HG3      PRO   2   1.949   6.108  -2.876
   12    HD2  PRO   2           HD2      PRO   2   3.344   5.653  -0.600
   13    HD3  PRO   2           HD3      PRO   2   1.583   5.452  -0.697
   14    H    LEU   3           H        LEU   3   3.053   0.591  -2.996
   15    HA   LEU   3           HA       LEU   3   5.896   0.623  -2.757
   16    HB2  LEU   3           HB2      LEU   3   5.792  -1.589  -3.168
   17    HB3  LEU   3           HB3      LEU   3   4.085  -1.342  -2.805
   18    HG   LEU   3           HG       LEU   3   4.196  -0.904  -5.516
   19   HD11  LEU   3          HD11      LEU   3   6.563  -1.727  -5.451
   20   HD12  LEU   3          HD12      LEU   3   5.486  -2.629  -6.518
   21   HD13  LEU   3          HD13      LEU   3   5.932  -3.296  -4.947
   22   HD21  LEU   3          HD21      LEU   3   2.433  -2.193  -5.016
   23   HD22  LEU   3          HD22      LEU   3   3.268  -2.991  -3.683
   24   HD23  LEU   3          HD23      LEU   3   3.525  -3.539  -5.341
   25    HA   PRO   4           HA       PRO   4   7.167   2.181  -6.657
   26    HB2  PRO   4           HB2      PRO   4   9.328   0.629  -7.199
   27    HB3  PRO   4           HB3      PRO   4   9.333   1.881  -5.951
   28    HG2  PRO   4           HG2      PRO   4   8.969  -1.077  -5.666
   29    HG3  PRO   4           HG3      PRO   4   9.933   0.032  -4.674
   30    HD2  PRO   4           HD2      PRO   4   7.488  -0.849  -3.916
   31    HD3  PRO   4           HD3      PRO   4   8.100   0.760  -3.482
   32    H    ASP   5           H        ASP   5   6.672   1.907  -8.762
   33    HA   ASP   5           HA       ASP   5   5.418  -0.561  -9.573
   34    HB2  ASP   5           HB2      ASP   5   5.926   1.571 -11.573
   35    HB3  ASP   5           HB3      ASP   5   4.461   0.646 -11.257
   36    H    CYS   6           H        CYS   6   8.259   1.324 -10.567
   37    HA   CYS   6           HA       CYS   6   9.114  -0.316 -12.653
   38    HB2  CYS   6           HB2      CYS   6  10.930   1.194 -10.769
   39    HB3  CYS   6           HB3      CYS   6  11.254   0.757 -12.443
   40    H    CYS   7           H        CYS   7   9.425  -0.677  -9.200
   41    HA   CYS   7           HA       CYS   7  11.457  -2.667  -9.237
   42    HB2  CYS   7           HB2      CYS   7  10.139  -1.188  -7.281
   43    HB3  CYS   7           HB3      CYS   7   9.643  -2.849  -6.969
   44    H    ARG   8           H        ARG   8   8.009  -2.714  -9.644
   45    HA   ARG   8           HA       ARG   8   7.735  -5.546  -9.204
   46    HB2  ARG   8           HB2      ARG   8   5.815  -4.246  -8.704
   47    HB3  ARG   8           HB3      ARG   8   5.882  -3.415 -10.252
   48    HG2  ARG   8           HG2      ARG   8   5.594  -6.311 -10.485
   49    HG3  ARG   8           HG3      ARG   8   4.255  -5.519  -9.652
   50    HD2  ARG   8           HD2      ARG   8   4.996  -3.977 -11.945
   51    HD3  ARG   8           HD3      ARG   8   4.749  -5.656 -12.426
   52    HE   ARG   8           HE       ARG   8   2.505  -5.451 -11.927
   53   HH11  ARG   8          HH11      ARG   8   4.244  -2.644 -10.824
   54   HH12  ARG   8          HH12      ARG   8   2.813  -1.722 -10.504
   55   HH21  ARG   8          HH21      ARG   8   0.613  -4.247 -11.509
   56   HH22  ARG   8          HH22      ARG   8   0.748  -2.635 -10.893
   57    H    GLN   9           H        GLN   9   7.945  -3.386 -11.991
   58    HA   GLN   9           HA       GLN   9   7.872  -5.690 -13.797
   59    HB2  GLN   9           HB2      GLN   9   7.951  -2.765 -14.537
   60    HB3  GLN   9           HB3      GLN   9   7.544  -4.119 -15.583
   61    HG2  GLN   9           HG2      GLN   9   5.657  -4.480 -13.764
   62    HG3  GLN   9           HG3      GLN   9   5.914  -2.753 -13.521
   63   HE21  GLN   9          HE21      GLN   9   3.898  -2.207 -14.314
   64   HE22  GLN   9          HE22      GLN   9   3.499  -2.314 -15.992
   65    H    LYS  10           H        LYS  10  10.107  -3.936 -12.112
   66    HA   LYS  10           HA       LYS  10  12.353  -3.585 -12.275
   67    HB2  LYS  10           HB2      LYS  10  12.645  -5.834 -14.199
   68    HB3  LYS  10           HB3      LYS  10  13.564  -5.475 -12.743
   69    HG2  LYS  10           HG2      LYS  10  11.550  -6.177 -11.420
   70    HG3  LYS  10           HG3      LYS  10  10.847  -6.747 -12.935
   71    HD2  LYS  10           HD2      LYS  10  13.219  -7.958 -13.100
   72    HD3  LYS  10           HD3      LYS  10  13.095  -7.847 -11.343
   73    HE2  LYS  10           HE2      LYS  10  11.408  -9.344 -11.239
   74    HE3  LYS  10           HE3      LYS  10  10.674  -8.780 -12.739
   75    HZ1  LYS  10           HZ1      LYS  10  11.835 -11.114 -12.572
   76    HZ2  LYS  10           HZ2      LYS  10  13.222 -10.208 -12.912
   77    HZ3  LYS  10           HZ3      LYS  10  11.918 -10.193 -13.989
   78    H    THR  11           H        THR  11  10.939  -1.963 -13.986
   79    HA   THR  11           HA       THR  11  12.503  -1.981 -16.478
   80    HB   THR  11           HB       THR  11  10.794  -0.852 -17.566
   81    HG1  THR  11           HG1      THR  11   9.237   0.386 -16.489
   82   HG21  THR  11          HG21      THR  11   9.678  -2.741 -15.533
   83   HG22  THR  11          HG22      THR  11   9.838  -2.940 -17.278
   84   HG23  THR  11          HG23      THR  11   8.589  -1.882 -16.621
   85    H    CYS  12           H        CYS  12  12.263  -0.464 -13.487
   86    HA   CYS  12           HA       CYS  12  14.272   1.449 -14.148
   87    HB2  CYS  12           HB2      CYS  12  13.071   3.297 -14.527
   88    HB3  CYS  12           HB3      CYS  12  11.624   2.295 -14.558
   89    H    SER  13           H        SER  13  14.564   3.010 -12.176
   90    HA   SER  13           HA       SER  13  15.079   1.401  -9.925
   91    HB2  SER  13           HB2      SER  13  15.332   4.269 -10.607
   92    HB3  SER  13           HB3      SER  13  15.211   3.901  -8.887
   93    HG   SER  13           HG       SER  13  17.371   3.831 -10.193
   94    H    CYS  14           H        CYS  14  14.108   1.281  -7.909
   95    HA   CYS  14           HA       CYS  14  11.254   1.736  -7.904
   96    HB2  CYS  14           HB2      CYS  14  12.588   0.807  -5.430
   97    HB3  CYS  14           HB3      CYS  14  11.155   0.183  -6.242
   98    H    ARG  15           H        ARG  15  14.062   3.333  -6.764
   99    HA   ARG  15           HA       ARG  15  12.754   4.792  -4.653
  100    HB2  ARG  15           HB2      ARG  15  15.402   4.271  -5.362
  101    HB3  ARG  15           HB3      ARG  15  15.205   5.997  -5.634
  102    HG2  ARG  15           HG2      ARG  15  15.068   6.457  -3.444
  103    HG3  ARG  15           HG3      ARG  15  14.103   5.020  -3.098
  104    HD2  ARG  15           HD2      ARG  15  16.154   4.699  -1.981
  105    HD3  ARG  15           HD3      ARG  15  16.230   3.684  -3.421
  106    HE   ARG  15           HE       ARG  15  17.361   6.231  -3.930
  107   HH11  ARG  15          HH11      ARG  15  17.993   3.214  -2.312
  108   HH12  ARG  15          HH12      ARG  15  19.715   3.352  -2.446
  109   HH21  ARG  15          HH21      ARG  15  19.626   6.425  -4.113
  110   HH22  ARG  15          HH22      ARG  15  20.643   5.180  -3.470
  111    H    LEU  16           H        LEU  16  11.935   4.902  -7.623
  112    HA   LEU  16           HA       LEU  16  12.360   7.622  -8.405
  113    HB2  LEU  16           HB2      LEU  16  11.398   7.041 -10.355
  114    HB3  LEU  16           HB3      LEU  16  11.700   5.410  -9.759
  115    HG   LEU  16           HG       LEU  16   9.075   6.823  -9.351
  116   HD11  LEU  16          HD11      LEU  16  10.067   5.243 -11.693
  117   HD12  LEU  16          HD12      LEU  16   9.183   6.768 -11.672
  118   HD13  LEU  16          HD13      LEU  16   8.356   5.264 -11.267
  119   HD21  LEU  16          HD21      LEU  16   8.757   4.063  -9.552
  120   HD22  LEU  16          HD22      LEU  16   8.689   5.038  -8.083
  121   HD23  LEU  16          HD23      LEU  16  10.208   4.285  -8.573
  122    H    TYR  17           H        TYR  17  10.000   5.928  -6.514
  123    HA   TYR  17           HA       TYR  17   7.911   7.842  -6.693
  124    HB2  TYR  17           HB2      TYR  17   7.011   6.698  -4.677
  125    HB3  TYR  17           HB3      TYR  17   7.428   5.582  -5.973
  126    HD1  TYR  17           HD1      TYR  17   8.867   7.073  -2.867
  127    HD2  TYR  17           HD2      TYR  17   8.719   3.720  -5.482
  128    HE1  TYR  17           HE1      TYR  17  10.278   5.800  -1.305
  129    HE2  TYR  17           HE2      TYR  17  10.129   2.437  -3.928
  130    HH   TYR  17           HH       TYR  17  11.115   3.781  -0.806
  131    H    GLU  18           H        GLU  18  10.634   7.396  -4.497
  132    HA   GLU  18           HA       GLU  18   9.922   9.284  -2.558
  133    HB2  GLU  18           HB2      GLU  18  12.246   9.267  -1.894
  134    HB3  GLU  18           HB3      GLU  18  11.749   7.631  -2.306
  135    HG2  GLU  18           HG2      GLU  18  13.351   7.466  -3.819
  136    HG3  GLU  18           HG3      GLU  18  12.804   8.934  -4.627
  137    H    LEU  19           H        LEU  19  11.419   9.645  -5.700
  138    HA   LEU  19           HA       LEU  19  12.478  12.198  -5.503
  139    HB2  LEU  19           HB2      LEU  19  11.286  10.637  -7.755
  140    HB3  LEU  19           HB3      LEU  19  11.764  12.314  -8.006
  141    HG   LEU  19           HG       LEU  19  13.582  11.061  -8.767
  142   HD11  LEU  19          HD11      LEU  19  14.568  11.435  -5.989
  143   HD12  LEU  19          HD12      LEU  19  13.967  12.845  -6.861
  144   HD13  LEU  19          HD13      LEU  19  15.300  11.901  -7.525
  145   HD21  LEU  19          HD21      LEU  19  12.610   9.080  -7.067
  146   HD22  LEU  19          HD22      LEU  19  14.226   9.447  -6.463
  147   HD23  LEU  19          HD23      LEU  19  14.001   8.968  -8.146
  148    H    LEU  20           H        LEU  20   9.206  11.296  -6.597
  149    HA   LEU  20           HA       LEU  20   8.327  14.032  -6.616
  150    HB2  LEU  20           HB2      LEU  20   6.507  11.654  -6.673
  151    HB3  LEU  20           HB3      LEU  20   6.286  13.234  -7.421
  152    HG   LEU  20           HG       LEU  20   8.588  12.004  -8.566
  153   HD11  LEU  20          HD11      LEU  20   7.768   9.860  -7.926
  154   HD12  LEU  20          HD12      LEU  20   7.423  10.073  -9.642
  155   HD13  LEU  20          HD13      LEU  20   6.134  10.263  -8.454
  156   HD21  LEU  20          HD21      LEU  20   5.890  12.372  -9.838
  157   HD22  LEU  20          HD22      LEU  20   7.482  12.456 -10.593
  158   HD23  LEU  20          HD23      LEU  20   6.963  13.728  -9.486
  159    H    HIS  21           H        HIS  21   8.032  11.271  -4.460
  160    HA   HIS  21           HA       HIS  21   6.080  12.340  -2.733
  161    HB2  HIS  21           HB2      HIS  21   8.135  10.178  -2.516
  162    HB3  HIS  21           HB3      HIS  21   7.309  10.714  -1.056
  163    HD1  HIS  21           HD1      HIS  21   5.844   8.715  -0.649
  164    HD2  HIS  21           HD2      HIS  21   5.505  10.186  -4.520
  165    HE1  HIS  21           HE1      HIS  21   3.920   7.464  -1.678
  166    H    GLY  22           H        GLY  22   9.332  13.185  -3.230
  167    HA2  GLY  22           HA2      GLY  22   9.463  14.517  -0.600
  168    HA3  GLY  22           HA3      GLY  22  10.862  14.076  -1.567
  169    H    ALA  23           H        ALA  23   9.798  15.028  -4.067
  170    HA   ALA  23           HA       ALA  23  10.362  17.856  -3.691
  171    HB1  ALA  23           HB1      ALA  23  11.141  16.087  -5.599
  172    HB2  ALA  23           HB2      ALA  23   9.808  16.908  -6.411
  173    HB3  ALA  23           HB3      ALA  23  11.168  17.840  -5.785
  174    H    GLY  24           H        GLY  24   7.656  16.123  -3.425
  175    HA2  GLY  24           HA2      GLY  24   5.913  18.313  -3.684
  176    HA3  GLY  24           HA3      GLY  24   5.786  17.329  -5.135
  177    H    ASN  25           H        ASN  25   5.831  16.929  -1.592
  178    HA   ASN  25           HA       ASN  25   4.196  14.557  -1.767
  179    HB2  ASN  25           HB2      ASN  25   5.615  14.331   0.025
  180    HB3  ASN  25           HB3      ASN  25   5.581  16.051   0.406
  181   HD21  ASN  25          HD21      ASN  25   4.069  12.981   0.871
  182   HD22  ASN  25          HD22      ASN  25   2.985  13.468   2.124
  183    H    HIS  26           H        HIS  26   3.739  17.952  -1.202
  184    HA   HIS  26           HA       HIS  26   1.238  17.874   0.083
  185    HB2  HIS  26           HB2      HIS  26   2.277  20.011  -1.787
  186    HB3  HIS  26           HB3      HIS  26   1.009  20.202  -0.580
  187    HD1  HIS  26           HD1      HIS  26   4.718  19.392  -0.728
  188    HD2  HIS  26           HD2      HIS  26   1.906  21.060   1.834
  189    HE1  HIS  26           HE1      HIS  26   6.027  20.249   1.241
  190    H    ALA  27           H        ALA  27   2.169  17.511  -3.250
  191    HA   ALA  27           HA       ALA  27  -0.233  18.074  -4.541
  192    HB1  ALA  27           HB1      ALA  27   0.639  16.985  -6.404
  193    HB2  ALA  27           HB2      ALA  27   2.075  17.516  -5.528
  194    HB3  ALA  27           HB3      ALA  27   1.552  15.835  -5.426
  195    H    ALA  28           H        ALA  28   0.824  15.172  -2.854
  196    HA   ALA  28           HA       ALA  28  -1.550  13.694  -3.621
  197    HB1  ALA  28           HB1      ALA  28   0.977  13.079  -2.212
  198    HB2  ALA  28           HB2      ALA  28  -0.434  12.113  -1.777
  199    HB3  ALA  28           HB3      ALA  28   0.115  12.167  -3.452
  200    H    GLY  29           H        GLY  29  -0.346  15.502  -0.878
  201    HA2  GLY  29           HA2      GLY  29  -2.185  14.561   1.054
  202    HA3  GLY  29           HA3      GLY  29  -1.308  16.082   1.125
  203    H    ILE  30           H        ILE  30  -2.368  17.149  -1.327
  204    HA   ILE  30           HA       ILE  30  -4.947  18.023  -0.302
  205    HB   ILE  30           HB       ILE  30  -3.561  19.022  -2.785
  206   HG12  ILE  30          HG12      ILE  30  -2.157  19.122  -0.642
  207   HG13  ILE  30          HG13      ILE  30  -2.395  20.633  -1.514
  208   HG21  ILE  30          HG21      ILE  30  -5.742  20.079  -1.011
  209   HG22  ILE  30          HG22      ILE  30  -4.851  21.112  -2.127
  210   HG23  ILE  30          HG23      ILE  30  -5.794  19.755  -2.743
  211   HD11  ILE  30          HD11      ILE  30  -2.692  20.433   1.110
  212   HD12  ILE  30          HD12      ILE  30  -3.658  21.539   0.131
  213   HD13  ILE  30          HD13      ILE  30  -4.328  19.985   0.628
  214    H    LEU  31           H        LEU  31  -3.596  16.399  -3.130
  215    HA   LEU  31           HA       LEU  31  -5.841  16.323  -4.757
  216    HB2  LEU  31           HB2      LEU  31  -3.430  14.624  -4.428
  217    HB3  LEU  31           HB3      LEU  31  -4.765  13.973  -5.377
  218    HG   LEU  31           HG       LEU  31  -4.494  15.525  -7.066
  219   HD11  LEU  31          HD11      LEU  31  -3.485  17.256  -4.898
  220   HD12  LEU  31          HD12      LEU  31  -4.545  17.632  -6.256
  221   HD13  LEU  31          HD13      LEU  31  -2.802  17.523  -6.503
  222   HD21  LEU  31          HD21      LEU  31  -2.538  14.744  -7.760
  223   HD22  LEU  31          HD22      LEU  31  -2.185  14.215  -6.115
  224   HD23  LEU  31          HD23      LEU  31  -1.683  15.819  -6.653
  225    H    THR  32           H        THR  32  -4.969  14.291  -2.022
  226    HA   THR  32           HA       THR  32  -7.370  12.665  -2.388
  227    HB   THR  32           HB       THR  32  -5.342  11.441  -1.852
  228    HG1  THR  32           HG1      THR  32  -6.988  10.372  -0.941
  229   HG21  THR  32          HG21      THR  32  -3.838  12.074  -0.315
  230   HG22  THR  32          HG22      THR  32  -5.080  12.338   0.909
  231   HG23  THR  32          HG23      THR  32  -4.711  13.605  -0.261
  232    H    LEU  33           H        LEU  33  -5.973  15.022  -0.183
  233    HA   LEU  33           HA       LEU  33  -8.354  14.892   1.517
  234    HB2  LEU  33           HB2      LEU  33  -5.869  14.958   2.324
  235    HB3  LEU  33           HB3      LEU  33  -6.029  16.691   2.042
  236    HG   LEU  33           HG       LEU  33  -8.151  15.483   3.690
  237   HD11  LEU  33          HD11      LEU  33  -6.758  15.402   5.697
  238   HD12  LEU  33          HD12      LEU  33  -5.326  15.713   4.717
  239   HD13  LEU  33          HD13      LEU  33  -6.235  14.218   4.499
  240   HD21  LEU  33          HD21      LEU  33  -7.907  17.907   3.205
  241   HD22  LEU  33          HD22      LEU  33  -6.388  17.894   4.101
  242   HD23  LEU  33          HD23      LEU  33  -7.902  17.525   4.927
  243    HN1  NH2  34           HN1      NH2  34 -10.002  16.157   0.736
  244    HN2  NH2  34           HN2      NH2  34  -9.806  17.871   0.838
  Start of MODEL   16
    1    H1   PCA   1           H1       PCA   1   1.375   0.532   2.126
    2    HA   PCA   1           HA       PCA   1  -0.072   2.028   0.436
    3    HB2  PCA   1           HB2      PCA   1   1.135   4.019  -0.082
    4    HB3  PCA   1           HB3      PCA   1   2.671   3.345   0.493
    5    HG2  PCA   1           HG2      PCA   1   0.228   4.086   2.186
    6    HG3  PCA   1           HG3      PCA   1   1.925   4.513   2.482
    7    HA   PRO   2           HA       PRO   2   1.293  -0.912  -2.413
    8    HB2  PRO   2           HB2      PRO   2   0.859   0.383  -4.759
    9    HB3  PRO   2           HB3      PRO   2  -0.452  -0.227  -3.742
   10    HG2  PRO   2           HG2      PRO   2   0.637   2.553  -3.964
   11    HG3  PRO   2           HG3      PRO   2  -1.051   2.016  -3.874
   12    HD2  PRO   2           HD2      PRO   2   0.282   3.001  -1.732
   13    HD3  PRO   2           HD3      PRO   2  -0.978   1.758  -1.584
   14    H    LEU   3           H        LEU   3   3.056  -1.547  -3.611
   15    HA   LEU   3           HA       LEU   3   5.332   0.258  -3.573
   16    HB2  LEU   3           HB2      LEU   3   6.546  -1.586  -3.342
   17    HB3  LEU   3           HB3      LEU   3   5.023  -2.460  -3.188
   18    HG   LEU   3           HG       LEU   3   6.364  -2.026  -5.845
   19   HD11  LEU   3          HD11      LEU   3   6.620  -4.544  -4.244
   20   HD12  LEU   3          HD12      LEU   3   7.793  -3.237  -4.084
   21   HD13  LEU   3          HD13      LEU   3   7.549  -4.016  -5.647
   22   HD21  LEU   3          HD21      LEU   3   4.042  -2.640  -5.976
   23   HD22  LEU   3          HD22      LEU   3   4.285  -3.962  -4.834
   24   HD23  LEU   3          HD23      LEU   3   5.028  -4.029  -6.433
   25    HA   PRO   4           HA       PRO   4   5.500   1.251  -7.843
   26    HB2  PRO   4           HB2      PRO   4   8.109   0.873  -8.491
   27    HB3  PRO   4           HB3      PRO   4   7.555   2.209  -7.474
   28    HG2  PRO   4           HG2      PRO   4   8.774  -0.405  -6.670
   29    HG3  PRO   4           HG3      PRO   4   9.099   1.221  -6.042
   30    HD2  PRO   4           HD2      PRO   4   7.504  -0.548  -4.753
   31    HD3  PRO   4           HD3      PRO   4   7.234   1.206  -4.687
   32    H    ASP   5           H        ASP   5   5.083   0.316  -9.768
   33    HA   ASP   5           HA       ASP   5   5.208  -2.559  -9.957
   34    HB2  ASP   5           HB2      ASP   5   4.448  -0.983 -12.344
   35    HB3  ASP   5           HB3      ASP   5   3.650  -2.369 -11.606
   36    H    CYS   6           H        CYS   6   6.637   0.189 -11.692
   37    HA   CYS   6           HA       CYS   6   8.077  -1.250 -13.597
   38    HB2  CYS   6           HB2      CYS   6   8.908   1.350 -12.294
   39    HB3  CYS   6           HB3      CYS   6   9.439   0.745 -13.860
   40    H    CYS   7           H        CYS   7   8.734  -0.638 -10.230
   41    HA   CYS   7           HA       CYS   7  11.489  -1.352 -10.280
   42    HB2  CYS   7           HB2      CYS   7   9.732  -0.285  -8.402
   43    HB3  CYS   7           HB3      CYS   7  10.166  -1.857  -7.739
   44    H    ARG   8           H        ARG   8   8.516  -3.137 -10.080
   45    HA   ARG   8           HA       ARG   8   9.734  -5.567  -9.134
   46    HB2  ARG   8           HB2      ARG   8   7.012  -4.703  -9.951
   47    HB3  ARG   8           HB3      ARG   8   7.377  -6.418 -10.086
   48    HG2  ARG   8           HG2      ARG   8   8.302  -5.551  -7.558
   49    HG3  ARG   8           HG3      ARG   8   6.668  -4.921  -7.780
   50    HD2  ARG   8           HD2      ARG   8   6.474  -7.067  -6.764
   51    HD3  ARG   8           HD3      ARG   8   5.963  -7.229  -8.444
   52    HE   ARG   8           HE       ARG   8   8.630  -7.867  -8.438
   53   HH11  ARG   8          HH11      ARG   8   5.776  -9.036  -6.823
   54   HH12  ARG   8          HH12      ARG   8   6.358 -10.662  -6.691
   55   HH21  ARG   8          HH21      ARG   8   9.408 -10.005  -8.271
   56   HH22  ARG   8          HH22      ARG   8   8.424 -11.212  -7.514
   57    H    GLN   9           H        GLN   9   8.657  -4.275 -12.240
   58    HA   GLN   9           HA       GLN   9   9.644  -6.676 -13.594
   59    HB2  GLN   9           HB2      GLN   9   8.188  -4.332 -14.816
   60    HB3  GLN   9           HB3      GLN   9   8.460  -5.912 -15.539
   61    HG2  GLN   9           HG2      GLN   9   6.494  -5.073 -13.485
   62    HG3  GLN   9           HG3      GLN   9   6.298  -6.140 -14.875
   63   HE21  GLN   9          HE21      GLN   9   5.763  -6.331 -11.880
   64   HE22  GLN   9          HE22      GLN   9   6.440  -7.858 -11.441
   65    H    LYS  10           H        LYS  10  10.765  -3.706 -12.646
   66    HA   LYS  10           HA       LYS  10  12.504  -2.362 -13.250
   67    HB2  LYS  10           HB2      LYS  10  13.411  -5.069 -14.205
   68    HB3  LYS  10           HB3      LYS  10  14.440  -3.650 -14.346
   69    HG2  LYS  10           HG2      LYS  10  14.903  -3.602 -12.147
   70    HG3  LYS  10           HG3      LYS  10  13.276  -4.107 -11.683
   71    HD2  LYS  10           HD2      LYS  10  13.764  -6.365 -11.960
   72    HD3  LYS  10           HD3      LYS  10  15.155  -6.036 -12.996
   73    HE2  LYS  10           HE2      LYS  10  16.443  -5.264 -11.138
   74    HE3  LYS  10           HE3      LYS  10  15.036  -5.304 -10.076
   75    HZ1  LYS  10           HZ1      LYS  10  15.311  -7.849 -11.145
   76    HZ2  LYS  10           HZ2      LYS  10  15.590  -7.367  -9.548
   77    HZ3  LYS  10           HZ3      LYS  10  16.861  -7.372 -10.664
   78    H    THR  11           H        THR  11  10.387  -2.091 -14.970
   79    HA   THR  11           HA       THR  11  11.606  -1.991 -17.646
   80    HB   THR  11           HB       THR  11   9.501  -2.111 -18.614
   81    HG1  THR  11           HG1      THR  11   7.572  -1.765 -17.171
   82   HG21  THR  11          HG21      THR  11   8.161  -3.785 -17.126
   83   HG22  THR  11          HG22      THR  11   9.591  -3.724 -16.096
   84   HG23  THR  11          HG23      THR  11   9.733  -4.255 -17.771
   85    H    CYS  12           H        CYS  12  10.817  -0.071 -15.001
   86    HA   CYS  12           HA       CYS  12  11.532   2.330 -16.383
   87    HB2  CYS  12           HB2      CYS  12   9.531   3.247 -16.783
   88    HB3  CYS  12           HB3      CYS  12   8.806   1.693 -16.384
   89    H    SER  13           H        SER  13  11.178   4.281 -14.805
   90    HA   SER  13           HA       SER  13  12.651   3.712 -12.466
   91    HB2  SER  13           HB2      SER  13  11.033   6.197 -13.078
   92    HB3  SER  13           HB3      SER  13  12.349   6.063 -11.912
   93    HG   SER  13           HG       SER  13  13.785   5.785 -13.578
   94    H    CYS  14           H        CYS  14  12.055   3.771 -10.288
   95    HA   CYS  14           HA       CYS  14   9.169   3.551  -9.747
   96    HB2  CYS  14           HB2      CYS  14   9.991   1.890  -7.893
   97    HB3  CYS  14           HB3      CYS  14   9.772   1.325  -9.546
   98    H    ARG  15           H        ARG  15  12.381   4.229  -8.431
   99    HA   ARG  15           HA       ARG  15  11.500   5.205  -5.928
  100    HB2  ARG  15           HB2      ARG  15  13.820   4.488  -6.370
  101    HB3  ARG  15           HB3      ARG  15  14.033   5.867  -7.440
  102    HG2  ARG  15           HG2      ARG  15  14.353   7.295  -5.744
  103    HG3  ARG  15           HG3      ARG  15  13.105   6.547  -4.745
  104    HD2  ARG  15           HD2      ARG  15  15.365   6.330  -3.778
  105    HD3  ARG  15           HD3      ARG  15  14.614   4.772  -4.117
  106    HE   ARG  15           HE       ARG  15  16.340   5.787  -6.203
  107   HH11  ARG  15          HH11      ARG  15  16.074   3.821  -3.342
  108   HH12  ARG  15          HH12      ARG  15  17.479   2.873  -3.704
  109   HH21  ARG  15          HH21      ARG  15  18.192   4.547  -6.691
  110   HH22  ARG  15          HH22      ARG  15  18.683   3.288  -5.609
  111    H    LEU  16           H        LEU  16  10.919   6.415  -8.926
  112    HA   LEU  16           HA       LEU  16  11.415   9.143  -8.781
  113    HB2  LEU  16           HB2      LEU  16  10.208   9.285 -10.670
  114    HB3  LEU  16           HB3      LEU  16  10.287   7.526 -10.605
  115    HG   LEU  16           HG       LEU  16   7.983   9.090  -9.462
  116   HD11  LEU  16          HD11      LEU  16   8.517   9.337 -12.025
  117   HD12  LEU  16          HD12      LEU  16   6.868   9.079 -11.457
  118   HD13  LEU  16          HD13      LEU  16   7.800   7.727 -12.100
  119   HD21  LEU  16          HD21      LEU  16   8.735   6.295  -9.631
  120   HD22  LEU  16          HD22      LEU  16   7.155   6.602 -10.352
  121   HD23  LEU  16          HD23      LEU  16   7.468   7.069  -8.680
  122    H    TYR  17           H        TYR  17   8.836   7.237  -7.357
  123    HA   TYR  17           HA       TYR  17   7.203   9.421  -6.573
  124    HB2  TYR  17           HB2      TYR  17   6.026   7.808  -5.187
  125    HB3  TYR  17           HB3      TYR  17   6.375   7.096  -6.758
  126    HD1  TYR  17           HD1      TYR  17   7.791   7.304  -3.309
  127    HD2  TYR  17           HD2      TYR  17   7.318   4.982  -6.843
  128    HE1  TYR  17           HE1      TYR  17   8.878   5.399  -2.196
  129    HE2  TYR  17           HE2      TYR  17   8.403   3.070  -5.740
  130    HH   TYR  17           HH       TYR  17   8.757   2.274  -3.366
  131    H    GLU  18           H        GLU  18   9.823   7.650  -5.018
  132    HA   GLU  18           HA       GLU  18   9.566   8.692  -2.435
  133    HB2  GLU  18           HB2      GLU  18  11.368   7.021  -3.799
  134    HB3  GLU  18           HB3      GLU  18  12.339   8.336  -3.151
  135    HG2  GLU  18           HG2      GLU  18  10.413   6.722  -1.501
  136    HG3  GLU  18           HG3      GLU  18  12.124   6.333  -1.672
  137    H    LEU  19           H        LEU  19  11.037  10.012  -5.326
  138    HA   LEU  19           HA       LEU  19  12.513  12.090  -4.151
  139    HB2  LEU  19           HB2      LEU  19  11.307  11.666  -6.856
  140    HB3  LEU  19           HB3      LEU  19  12.068  13.204  -6.453
  141    HG   LEU  19           HG       LEU  19  14.069  11.589  -5.768
  142   HD11  LEU  19          HD11      LEU  19  13.701  10.014  -8.070
  143   HD12  LEU  19          HD12      LEU  19  12.234   9.853  -7.105
  144   HD13  LEU  19          HD13      LEU  19  13.803   9.480  -6.392
  145   HD21  LEU  19          HD21      LEU  19  13.459  12.356  -8.620
  146   HD22  LEU  19          HD22      LEU  19  15.051  12.040  -7.930
  147   HD23  LEU  19          HD23      LEU  19  14.120  13.440  -7.396
  148    H    LEU  20           H        LEU  20   9.158  11.944  -5.265
  149    HA   LEU  20           HA       LEU  20   8.670  14.693  -4.486
  150    HB2  LEU  20           HB2      LEU  20   6.290  13.170  -5.041
  151    HB3  LEU  20           HB3      LEU  20   6.947  14.573  -5.880
  152    HG   LEU  20           HG       LEU  20   7.660  11.688  -6.402
  153   HD11  LEU  20          HD11      LEU  20   5.889  11.687  -7.734
  154   HD12  LEU  20          HD12      LEU  20   6.651  12.960  -8.687
  155   HD13  LEU  20          HD13      LEU  20   5.558  13.381  -7.369
  156   HD21  LEU  20          HD21      LEU  20   8.833  14.263  -7.300
  157   HD22  LEU  20          HD22      LEU  20   8.683  12.967  -8.487
  158   HD23  LEU  20          HD23      LEU  20   9.606  12.705  -7.007
  159    H    HIS  21           H        HIS  21   8.234  11.497  -3.204
  160    HA   HIS  21           HA       HIS  21   6.347  12.269  -1.178
  161    HB2  HIS  21           HB2      HIS  21   7.825   9.781  -1.892
  162    HB3  HIS  21           HB3      HIS  21   7.205   9.929  -0.250
  163    HD1  HIS  21           HD1      HIS  21   5.284   8.324  -0.339
  164    HD2  HIS  21           HD2      HIS  21   5.237  11.037  -3.486
  165    HE1  HIS  21           HE1      HIS  21   3.086   7.963  -1.506
  166    H    GLY  22           H        GLY  22   9.687  12.592  -1.567
  167    HA2  GLY  22           HA2      GLY  22  10.096  12.798   1.348
  168    HA3  GLY  22           HA3      GLY  22  11.373  12.493   0.180
  169    H    ALA  23           H        ALA  23  10.487  14.493  -1.709
  170    HA   ALA  23           HA       ALA  23  11.438  16.867  -0.269
  171    HB1  ALA  23           HB1      ALA  23  11.333  17.161  -3.140
  172    HB2  ALA  23           HB2      ALA  23  12.707  17.303  -2.042
  173    HB3  ALA  23           HB3      ALA  23  12.241  15.723  -2.673
  174    H    GLY  24           H        GLY  24   8.581  15.561  -1.143
  175    HA2  GLY  24           HA2      GLY  24   7.184  18.047  -0.895
  176    HA3  GLY  24           HA3      GLY  24   7.122  17.424  -2.537
  177    H    ASN  25           H        ASN  25   6.892  15.929   0.693
  178    HA   ASN  25           HA       ASN  25   5.009  13.995  -0.093
  179    HB2  ASN  25           HB2      ASN  25   4.583  13.874   2.455
  180    HB3  ASN  25           HB3      ASN  25   6.194  13.481   1.861
  181   HD21  ASN  25          HD21      ASN  25   4.623  15.031   4.223
  182   HD22  ASN  25          HD22      ASN  25   5.786  16.242   4.630
  183    H    HIS  26           H        HIS  26   4.633  17.175   1.405
  184    HA   HIS  26           HA       HIS  26   1.862  17.031   1.872
  185    HB2  HIS  26           HB2      HIS  26   3.900  18.927   2.247
  186    HB3  HIS  26           HB3      HIS  26   2.706  19.717   1.222
  187    HD1  HIS  26           HD1      HIS  26   0.839  20.792   2.434
  188    HD2  HIS  26           HD2      HIS  26   2.607  17.777   4.680
  189    HE1  HIS  26           HE1      HIS  26  -0.313  20.854   4.669
  190    H    ALA  27           H        ALA  27   3.722  17.715  -0.988
  191    HA   ALA  27           HA       ALA  27   1.835  19.045  -2.546
  192    HB1  ALA  27           HB1      ALA  27   3.099  18.302  -4.468
  193    HB2  ALA  27           HB2      ALA  27   4.203  18.746  -3.166
  194    HB3  ALA  27           HB3      ALA  27   3.879  17.047  -3.506
  195    H    ALA  28           H        ALA  28   2.212  15.617  -1.854
  196    HA   ALA  28           HA       ALA  28   0.114  14.870  -3.711
  197    HB1  ALA  28           HB1      ALA  28   0.521  12.575  -2.828
  198    HB2  ALA  28           HB2      ALA  28   1.950  13.349  -3.515
  199    HB3  ALA  28           HB3      ALA  28   1.753  13.257  -1.765
  200    H    GLY  29           H        GLY  29   0.529  15.402  -0.276
  201    HA2  GLY  29           HA2      GLY  29  -1.840  14.140   0.611
  202    HA3  GLY  29           HA3      GLY  29  -0.958  15.392   1.474
  203    H    ILE  30           H        ILE  30  -1.189  17.411  -0.538
  204    HA   ILE  30           HA       ILE  30  -3.926  18.231   0.007
  205    HB   ILE  30           HB       ILE  30  -1.713  19.789  -1.333
  206   HG12  ILE  30          HG12      ILE  30  -1.360  19.007   1.097
  207   HG13  ILE  30          HG13      ILE  30  -1.161  20.721   0.751
  208   HG21  ILE  30          HG21      ILE  30  -4.507  20.405  -0.557
  209   HG22  ILE  30          HG22      ILE  30  -3.296  21.664  -0.321
  210   HG23  ILE  30          HG23      ILE  30  -3.557  20.982  -1.926
  211   HD11  ILE  30          HD11      ILE  30  -3.324  21.208   1.664
  212   HD12  ILE  30          HD12      ILE  30  -3.662  19.490   1.877
  213   HD13  ILE  30          HD13      ILE  30  -2.400  20.265   2.833
  214    H    LEU  31           H        LEU  31  -1.837  17.531  -2.747
  215    HA   LEU  31           HA       LEU  31  -3.466  18.397  -4.820
  216    HB2  LEU  31           HB2      LEU  31  -1.395  16.270  -4.554
  217    HB3  LEU  31           HB3      LEU  31  -2.355  16.346  -6.030
  218    HG   LEU  31           HG       LEU  31  -0.771  18.685  -4.989
  219   HD11  LEU  31          HD11      LEU  31   0.443  16.406  -5.682
  220   HD12  LEU  31          HD12      LEU  31   1.110  17.998  -6.040
  221   HD13  LEU  31          HD13      LEU  31   0.228  17.113  -7.284
  222   HD21  LEU  31          HD21      LEU  31  -2.529  19.264  -6.542
  223   HD22  LEU  31          HD22      LEU  31  -1.980  18.026  -7.673
  224   HD23  LEU  31          HD23      LEU  31  -0.962  19.426  -7.335
  225    H    THR  32           H        THR  32  -3.580  15.418  -2.953
  226    HA   THR  32           HA       THR  32  -5.810  14.425  -4.558
  227    HB   THR  32           HB       THR  32  -4.104  12.790  -3.998
  228    HG1  THR  32           HG1      THR  32  -6.376  12.165  -4.003
  229   HG21  THR  32          HG21      THR  32  -4.690  12.606  -1.146
  230   HG22  THR  32          HG22      THR  32  -3.910  14.123  -1.594
  231   HG23  THR  32          HG23      THR  32  -3.140  12.586  -1.985
  232    H    LEU  33           H        LEU  33  -5.076  15.599  -1.324
  233    HA   LEU  33           HA       LEU  33  -6.402  16.327   0.374
  234    HB2  LEU  33           HB2      LEU  33  -7.490  17.525  -1.565
  235    HB3  LEU  33           HB3      LEU  33  -8.684  16.229  -1.586
  236    HG   LEU  33           HG       LEU  33  -9.059  16.896   0.903
  237   HD11  LEU  33          HD11      LEU  33  -7.514  19.204  -0.197
  238   HD12  LEU  33          HD12      LEU  33  -7.406  18.431   1.385
  239   HD13  LEU  33          HD13      LEU  33  -8.776  19.475   1.006
  240   HD21  LEU  33          HD21      LEU  33 -10.013  18.864  -1.152
  241   HD22  LEU  33          HD22      LEU  33 -10.868  18.229   0.254
  242   HD23  LEU  33          HD23      LEU  33 -10.572  17.191  -1.141
  243    HN1  NH2  34           HN1      NH2  34  -7.400  14.531   2.175
  244    HN2  NH2  34           HN2      NH2  34  -8.974  15.005   1.645
  Start of MODEL   17
    1    H1   PCA   1           H1       PCA   1   4.466   3.345   4.426
    2    HA   PCA   1           HA       PCA   1   2.939   5.144   3.152
    3    HB2  PCA   1           HB2      PCA   1   4.338   6.803   2.163
    4    HB3  PCA   1           HB3      PCA   1   5.787   5.790   2.296
    5    HG2  PCA   1           HG2      PCA   1   4.210   7.068   4.590
    6    HG3  PCA   1           HG3      PCA   1   5.966   7.089   4.334
    7    HA   PRO   2           HA       PRO   2   2.679   1.997   0.209
    8    HB2  PRO   2           HB2      PRO   2   1.895   3.378  -1.992
    9    HB3  PRO   2           HB3      PRO   2   0.835   3.097  -0.606
   10    HG2  PRO   2           HG2      PRO   2   2.433   5.530  -1.306
   11    HG3  PRO   2           HG3      PRO   2   0.769   5.420  -0.703
   12    HD2  PRO   2           HD2      PRO   2   2.863   6.032   0.901
   13    HD3  PRO   2           HD3      PRO   2   1.447   5.133   1.482
   14    H    LEU   3           H        LEU   3   3.953   0.915  -1.199
   15    HA   LEU   3           HA       LEU   3   6.499   1.990  -1.885
   16    HB2  LEU   3           HB2      LEU   3   7.040  -0.146  -2.141
   17    HB3  LEU   3           HB3      LEU   3   5.395  -0.536  -1.646
   18    HG   LEU   3           HG       LEU   3   6.219  -0.126  -4.516
   19   HD11  LEU   3          HD11      LEU   3   6.460  -2.443  -4.771
   20   HD12  LEU   3          HD12      LEU   3   5.760  -2.779  -3.188
   21   HD13  LEU   3          HD13      LEU   3   7.363  -2.053  -3.307
   22   HD21  LEU   3          HD21      LEU   3   4.087  -1.552  -4.778
   23   HD22  LEU   3          HD22      LEU   3   3.917   0.162  -4.399
   24   HD23  LEU   3          HD23      LEU   3   3.731  -1.046  -3.126
   25    HA   PRO   4           HA       PRO   4   5.931   3.570  -5.939
   26    HB2  PRO   4           HB2      PRO   4   7.999   2.514  -7.346
   27    HB3  PRO   4           HB3      PRO   4   8.213   3.767  -6.117
   28    HG2  PRO   4           HG2      PRO   4   8.617   0.809  -5.897
   29    HG3  PRO   4           HG3      PRO   4   9.628   2.125  -5.273
   30    HD2  PRO   4           HD2      PRO   4   7.898   0.750  -3.708
   31    HD3  PRO   4           HD3      PRO   4   8.275   2.464  -3.438
   32    H    ASP   5           H        ASP   5   5.204   3.130  -8.053
   33    HA   ASP   5           HA       ASP   5   4.061   0.464  -8.364
   34    HB2  ASP   5           HB2      ASP   5   2.972   1.683 -10.411
   35    HB3  ASP   5           HB3      ASP   5   2.400   2.025  -8.780
   36    H    CYS   6           H        CYS   6   6.065   2.760 -10.188
   37    HA   CYS   6           HA       CYS   6   6.490   1.181 -12.452
   38    HB2  CYS   6           HB2      CYS   6   7.833   2.869 -13.116
   39    HB3  CYS   6           HB3      CYS   6   7.254   3.685 -11.668
   40    H    CYS   7           H        CYS   7   7.566   0.733  -9.272
   41    HA   CYS   7           HA       CYS   7   9.949  -0.760  -9.976
   42    HB2  CYS   7           HB2      CYS   7   9.646   0.665  -7.865
   43    HB3  CYS   7           HB3      CYS   7   8.655  -0.657  -7.257
   44    H    ARG   8           H        ARG   8   6.606  -1.362  -9.301
   45    HA   ARG   8           HA       ARG   8   6.944  -4.171  -8.763
   46    HB2  ARG   8           HB2      ARG   8   5.068  -3.247  -7.706
   47    HB3  ARG   8           HB3      ARG   8   4.577  -2.364  -9.145
   48    HG2  ARG   8           HG2      ARG   8   3.271  -4.029  -9.801
   49    HG3  ARG   8           HG3      ARG   8   4.587  -5.195  -9.651
   50    HD2  ARG   8           HD2      ARG   8   4.128  -5.175  -7.158
   51    HD3  ARG   8           HD3      ARG   8   2.648  -4.294  -7.535
   52    HE   ARG   8           HE       ARG   8   2.639  -6.546  -9.134
   53   HH11  ARG   8          HH11      ARG   8   2.670  -5.833  -5.727
   54   HH12  ARG   8          HH12      ARG   8   1.814  -7.274  -5.285
   55   HH21  ARG   8          HH21      ARG   8   1.513  -8.446  -8.566
   56   HH22  ARG   8          HH22      ARG   8   1.157  -8.759  -6.901
   57    H    GLN   9           H        GLN   9   6.165  -2.158 -11.526
   58    HA   GLN   9           HA       GLN   9   5.747  -4.526 -13.194
   59    HB2  GLN   9           HB2      GLN   9   5.422  -1.604 -13.898
   60    HB3  GLN   9           HB3      GLN   9   4.956  -2.972 -14.901
   61    HG2  GLN   9           HG2      GLN   9   3.672  -1.902 -12.437
   62    HG3  GLN   9           HG3      GLN   9   2.949  -2.354 -13.980
   63   HE21  GLN   9          HE21      GLN   9   1.694  -4.053 -13.816
   64   HE22  GLN   9          HE22      GLN   9   1.942  -5.416 -12.784
   65    H    LYS  10           H        LYS  10   8.242  -2.574 -12.222
   66    HA   LYS  10           HA       LYS  10  10.391  -2.296 -12.913
   67    HB2  LYS  10           HB2      LYS  10  10.220  -4.205 -15.155
   68    HB3  LYS  10           HB3      LYS  10  11.382  -4.114 -13.838
   69    HG2  LYS  10           HG2      LYS  10   9.364  -4.958 -12.402
   70    HG3  LYS  10           HG3      LYS  10   8.762  -5.521 -13.963
   71    HD2  LYS  10           HD2      LYS  10  11.509  -6.159 -12.900
   72    HD3  LYS  10           HD3      LYS  10  10.105  -7.204 -12.673
   73    HE2  LYS  10           HE2      LYS  10  10.817  -8.154 -14.586
   74    HE3  LYS  10           HE3      LYS  10   9.992  -6.791 -15.342
   75    HZ1  LYS  10           HZ1      LYS  10  12.402  -7.299 -16.010
   76    HZ2  LYS  10           HZ2      LYS  10  12.822  -6.571 -14.542
   77    HZ3  LYS  10           HZ3      LYS  10  11.975  -5.689 -15.712
   78    H    THR  11           H        THR  11   8.564  -0.505 -13.927
   79    HA   THR  11           HA       THR  11   9.202  -0.194 -16.766
   80    HB   THR  11           HB       THR  11   7.287   0.967 -17.005
   81    HG1  THR  11           HG1      THR  11   7.428   2.859 -16.066
   82   HG21  THR  11          HG21      THR  11   5.590   0.033 -15.806
   83   HG22  THR  11          HG22      THR  11   6.379   0.324 -14.255
   84   HG23  THR  11          HG23      THR  11   6.894  -1.024 -15.268
   85    H    CYS  12           H        CYS  12  10.306   0.831 -13.756
   86    HA   CYS  12           HA       CYS  12  12.280   2.524 -14.844
   87    HB2  CYS  12           HB2      CYS  12  11.539   4.654 -14.472
   88    HB3  CYS  12           HB3      CYS  12   9.986   3.890 -14.797
   89    H    SER  13           H        SER  13  13.356   3.846 -12.970
   90    HA   SER  13           HA       SER  13  14.107   1.970 -10.987
   91    HB2  SER  13           HB2      SER  13  14.643   4.949 -11.090
   92    HB3  SER  13           HB3      SER  13  15.491   3.782 -10.076
   93    HG   SER  13           HG       SER  13  16.189   2.755 -12.014
   94    H    CYS  14           H        CYS  14  13.792   2.015  -8.742
   95    HA   CYS  14           HA       CYS  14  11.251   3.222  -7.944
   96    HB2  CYS  14           HB2      CYS  14  12.605   1.503  -5.993
   97    HB3  CYS  14           HB3      CYS  14  10.953   1.436  -6.598
   98    H    ARG  15           H        ARG  15  13.833   4.702  -8.182
   99    HA   ARG  15           HA       ARG  15  14.122   5.569  -5.382
  100    HB2  ARG  15           HB2      ARG  15  16.247   4.882  -6.090
  101    HB3  ARG  15           HB3      ARG  15  16.033   5.562  -7.697
  102    HG2  ARG  15           HG2      ARG  15  16.634   7.652  -7.048
  103    HG3  ARG  15           HG3      ARG  15  16.010   7.443  -5.410
  104    HD2  ARG  15           HD2      ARG  15  18.012   6.840  -4.650
  105    HD3  ARG  15           HD3      ARG  15  18.192   5.630  -5.919
  106    HE   ARG  15           HE       ARG  15  18.660   8.240  -6.929
  107   HH11  ARG  15          HH11      ARG  15  20.106   5.718  -5.014
  108   HH12  ARG  15          HH12      ARG  15  21.732   6.184  -5.391
  109   HH21  ARG  15          HH21      ARG  15  20.796   8.863  -7.433
  110   HH22  ARG  15          HH22      ARG  15  22.123   7.973  -6.767
  111    H    LEU  16           H        LEU  16  12.984   6.454  -8.456
  112    HA   LEU  16           HA       LEU  16  13.315   9.286  -8.218
  113    HB2  LEU  16           HB2      LEU  16  11.317   9.054  -9.997
  114    HB3  LEU  16           HB3      LEU  16  13.021   8.862 -10.404
  115    HG   LEU  16           HG       LEU  16  12.798   6.445 -10.303
  116   HD11  LEU  16          HD11      LEU  16  10.237   5.724 -10.226
  117   HD12  LEU  16          HD12      LEU  16  10.150   7.134  -9.171
  118   HD13  LEU  16          HD13      LEU  16  11.244   5.807  -8.780
  119   HD21  LEU  16          HD21      LEU  16  12.027   6.336 -12.401
  120   HD22  LEU  16          HD22      LEU  16  11.822   8.082 -12.262
  121   HD23  LEU  16          HD23      LEU  16  10.456   7.006 -11.962
  122    H    TYR  17           H        TYR  17  10.824   6.974  -7.361
  123    HA   TYR  17           HA       TYR  17   8.774   8.868  -6.837
  124    HB2  TYR  17           HB2      TYR  17   7.498   7.077  -6.177
  125    HB3  TYR  17           HB3      TYR  17   8.715   6.233  -7.129
  126    HD1  TYR  17           HD1      TYR  17  10.947   5.747  -5.579
  127    HD2  TYR  17           HD2      TYR  17   6.920   6.005  -4.228
  128    HE1  TYR  17           HE1      TYR  17  11.519   4.362  -3.628
  129    HE2  TYR  17           HE2      TYR  17   7.481   4.622  -2.274
  130    HH   TYR  17           HH       TYR  17   9.254   2.881  -1.699
  131    H    GLU  18           H        GLU  18  11.334   7.439  -4.895
  132    HA   GLU  18           HA       GLU  18  10.471   8.240  -2.360
  133    HB2  GLU  18           HB2      GLU  18  12.561   7.629  -1.598
  134    HB3  GLU  18           HB3      GLU  18  12.480   6.736  -3.111
  135    HG2  GLU  18           HG2      GLU  18  14.536   7.631  -3.362
  136    HG3  GLU  18           HG3      GLU  18  13.595   8.961  -4.034
  137    H    LEU  19           H        LEU  19  12.135   9.999  -4.892
  138    HA   LEU  19           HA       LEU  19  13.059  12.195  -3.460
  139    HB2  LEU  19           HB2      LEU  19  12.182  11.780  -6.282
  140    HB3  LEU  19           HB3      LEU  19  12.548  13.410  -5.720
  141    HG   LEU  19           HG       LEU  19  14.795  12.223  -4.940
  142   HD11  LEU  19          HD11      LEU  19  13.513  10.204  -6.463
  143   HD12  LEU  19          HD12      LEU  19  15.114  10.178  -5.727
  144   HD13  LEU  19          HD13      LEU  19  14.911  10.773  -7.375
  145   HD21  LEU  19          HD21      LEU  19  14.309  12.996  -7.812
  146   HD22  LEU  19          HD22      LEU  19  15.832  13.068  -6.927
  147   HD23  LEU  19          HD23      LEU  19  14.507  14.149  -6.493
  148    H    LEU  20           H        LEU  20   9.924  11.770  -5.093
  149    HA   LEU  20           HA       LEU  20   8.904  14.254  -4.061
  150    HB2  LEU  20           HB2      LEU  20   7.212  12.079  -5.229
  151    HB3  LEU  20           HB3      LEU  20   6.973  13.824  -5.290
  152    HG   LEU  20           HG       LEU  20   9.408  13.043  -6.646
  153   HD11  LEU  20          HD11      LEU  20   6.838  11.886  -7.715
  154   HD12  LEU  20          HD12      LEU  20   8.155  10.952  -7.005
  155   HD13  LEU  20          HD13      LEU  20   8.418  11.852  -8.498
  156   HD21  LEU  20          HD21      LEU  20   8.567  15.161  -7.105
  157   HD22  LEU  20          HD22      LEU  20   6.911  14.576  -7.271
  158   HD23  LEU  20          HD23      LEU  20   8.101  14.224  -8.525
  159    H    HIS  21           H        HIS  21   8.436  10.813  -3.373
  160    HA   HIS  21           HA       HIS  21   6.416  11.123  -1.434
  161    HB2  HIS  21           HB2      HIS  21   8.134   8.976  -2.410
  162    HB3  HIS  21           HB3      HIS  21   7.803   8.843  -0.685
  163    HD1  HIS  21           HD1      HIS  21   5.424   8.233   0.018
  164    HD2  HIS  21           HD2      HIS  21   5.874   8.694  -4.086
  165    HE1  HIS  21           HE1      HIS  21   3.307   7.330  -0.996
  166    H    GLY  22           H        GLY  22   9.646  12.032  -1.358
  167    HA2  GLY  22           HA2      GLY  22   9.703  11.932   1.593
  168    HA3  GLY  22           HA3      GLY  22  11.135  11.952   0.575
  169    H    ALA  23           H        ALA  23  10.329  13.997  -1.208
  170    HA   ALA  23           HA       ALA  23  10.856  16.295   0.480
  171    HB1  ALA  23           HB1      ALA  23  11.734  17.279  -1.350
  172    HB2  ALA  23           HB2      ALA  23  11.782  15.623  -1.955
  173    HB3  ALA  23           HB3      ALA  23  10.456  16.691  -2.414
  174    H    GLY  24           H        GLY  24   8.119  14.736  -0.344
  175    HA2  GLY  24           HA2      GLY  24   6.304  16.540   0.580
  176    HA3  GLY  24           HA3      GLY  24   6.470  16.969  -1.116
  177    H    ASN  25           H        ASN  25   5.740  14.253   1.043
  178    HA   ASN  25           HA       ASN  25   4.620  12.638  -1.030
  179    HB2  ASN  25           HB2      ASN  25   5.517  11.544   0.915
  180    HB3  ASN  25           HB3      ASN  25   4.461  12.463   1.983
  181   HD21  ASN  25          HD21      ASN  25   3.622  10.941  -1.076
  182   HD22  ASN  25          HD22      ASN  25   2.494   9.812  -0.414
  183    H    HIS  26           H        HIS  26   3.344  14.914   1.322
  184    HA   HIS  26           HA       HIS  26   0.612  14.317   1.016
  185    HB2  HIS  26           HB2      HIS  26   1.614  17.093   1.585
  186    HB3  HIS  26           HB3      HIS  26   0.181  16.286   2.216
  187    HD1  HIS  26           HD1      HIS  26   2.733  17.628   3.778
  188    HD2  HIS  26           HD2      HIS  26   1.755  13.608   3.404
  189    HE1  HIS  26           HE1      HIS  26   3.845  16.482   5.721
  190    H    ALA  27           H        ALA  27   2.831  16.181  -0.911
  191    HA   ALA  27           HA       ALA  27   1.069  17.775  -2.363
  192    HB1  ALA  27           HB1      ALA  27   3.426  16.539  -3.712
  193    HB2  ALA  27           HB2      ALA  27   2.818  18.192  -3.800
  194    HB3  ALA  27           HB3      ALA  27   3.676  17.644  -2.361
  195    H    ALA  28           H        ALA  28   1.937  14.390  -2.761
  196    HA   ALA  28           HA       ALA  28   0.415  14.145  -5.217
  197    HB1  ALA  28           HB1      ALA  28   1.834  12.055  -3.569
  198    HB2  ALA  28           HB2      ALA  28   1.101  11.791  -5.152
  199    HB3  ALA  28           HB3      ALA  28   2.478  12.881  -4.988
  200    H    GLY  29           H        GLY  29   0.050  13.445  -1.807
  201    HA2  GLY  29           HA2      GLY  29  -2.166  11.700  -1.993
  202    HA3  GLY  29           HA3      GLY  29  -1.721  12.647  -0.581
  203    H    ILE  30           H        ILE  30  -1.934  15.215  -1.816
  204    HA   ILE  30           HA       ILE  30  -4.830  15.479  -1.734
  205    HB   ILE  30           HB       ILE  30  -2.697  17.615  -1.852
  206   HG12  ILE  30          HG12      ILE  30  -2.766  16.135   0.212
  207   HG13  ILE  30          HG13      ILE  30  -2.958  17.861   0.499
  208   HG21  ILE  30          HG21      ILE  30  -5.646  17.687  -1.881
  209   HG22  ILE  30          HG22      ILE  30  -4.848  18.840  -0.813
  210   HG23  ILE  30          HG23      ILE  30  -4.474  18.831  -2.536
  211   HD11  ILE  30          HD11      ILE  30  -4.550  15.929   1.528
  212   HD12  ILE  30          HD12      ILE  30  -5.024  17.614   1.312
  213   HD13  ILE  30          HD13      ILE  30  -5.468  16.411   0.102
  214    H    LEU  31           H        LEU  31  -2.148  16.050  -3.953
  215    HA   LEU  31           HA       LEU  31  -3.471  17.424  -5.968
  216    HB2  LEU  31           HB2      LEU  31  -1.132  15.580  -5.900
  217    HB3  LEU  31           HB3      LEU  31  -1.781  16.074  -7.462
  218    HG   LEU  31           HG       LEU  31  -0.905  18.047  -5.363
  219   HD11  LEU  31          HD11      LEU  31   0.843  16.320  -6.371
  220   HD12  LEU  31          HD12      LEU  31   1.243  18.014  -6.094
  221   HD13  LEU  31          HD13      LEU  31   0.805  17.465  -7.712
  222   HD21  LEU  31          HD21      LEU  31  -2.430  18.850  -7.122
  223   HD22  LEU  31          HD22      LEU  31  -1.285  18.300  -8.346
  224   HD23  LEU  31          HD23      LEU  31  -0.832  19.589  -7.229
  225    H    THR  32           H        THR  32  -3.390  13.979  -5.264
  226    HA   THR  32           HA       THR  32  -5.041  13.402  -7.606
  227    HB   THR  32           HB       THR  32  -3.201  11.867  -7.212
  228    HG1  THR  32           HG1      THR  32  -5.052  10.908  -8.067
  229   HG21  THR  32          HG21      THR  32  -3.728  12.252  -4.533
  230   HG22  THR  32          HG22      THR  32  -2.618  11.058  -5.205
  231   HG23  THR  32          HG23      THR  32  -4.277  10.601  -4.816
  232    H    LEU  33           H        LEU  33  -5.179  13.397  -4.091
  233    HA   LEU  33           HA       LEU  33  -8.095  13.132  -4.270
  234    HB2  LEU  33           HB2      LEU  33  -6.307  11.652  -2.347
  235    HB3  LEU  33           HB3      LEU  33  -8.065  11.719  -2.233
  236    HG   LEU  33           HG       LEU  33  -6.466  10.443  -4.452
  237   HD11  LEU  33          HD11      LEU  33  -6.315   8.875  -2.815
  238   HD12  LEU  33          HD12      LEU  33  -7.907   8.455  -3.445
  239   HD13  LEU  33          HD13      LEU  33  -7.767   9.435  -1.986
  240   HD21  LEU  33          HD21      LEU  33  -9.302  11.197  -4.200
  241   HD22  LEU  33          HD22      LEU  33  -8.993   9.556  -4.769
  242   HD23  LEU  33          HD23      LEU  33  -8.317  10.935  -5.639
  243    HN1  NH2  34           HN1      NH2  34  -6.309  14.176  -0.882
  244    HN2  NH2  34           HN2      NH2  34  -7.807  13.318  -0.933
  Start of MODEL   18
    1    H1   PCA   1           H1       PCA   1   5.153   2.940   4.916
    2    HA   PCA   1           HA       PCA   1   3.503   4.679   3.714
    3    HB2  PCA   1           HB2      PCA   1   4.794   6.388   2.662
    4    HB3  PCA   1           HB3      PCA   1   6.283   5.428   2.727
    5    HG2  PCA   1           HG2      PCA   1   4.768   6.652   5.092
    6    HG3  PCA   1           HG3      PCA   1   6.509   6.736   4.755
    7    HA   PRO   2           HA       PRO   2   3.222   1.508   0.800
    8    HB2  PRO   2           HB2      PRO   2   2.251   2.847  -1.352
    9    HB3  PRO   2           HB3      PRO   2   1.285   2.520   0.092
   10    HG2  PRO   2           HG2      PRO   2   2.726   5.023  -0.697
   11    HG3  PRO   2           HG3      PRO   2   1.106   4.837   0.000
   12    HD2  PRO   2           HD2      PRO   2   3.257   5.549   1.483
   13    HD3  PRO   2           HD3      PRO   2   1.920   4.586   2.142
   14    H    LEU   3           H        LEU   3   4.173   0.587  -1.044
   15    HA   LEU   3           HA       LEU   3   6.751   1.674  -1.726
   16    HB2  LEU   3           HB2      LEU   3   7.266  -0.439  -2.163
   17    HB3  LEU   3           HB3      LEU   3   5.656  -0.863  -1.585
   18    HG   LEU   3           HG       LEU   3   6.286  -0.257  -4.470
   19   HD11  LEU   3          HD11      LEU   3   6.493  -2.554  -4.898
   20   HD12  LEU   3          HD12      LEU   3   5.910  -2.994  -3.293
   21   HD13  LEU   3          HD13      LEU   3   7.503  -2.261  -3.481
   22   HD21  LEU   3          HD21      LEU   3   4.148  -1.204  -4.928
   23   HD22  LEU   3          HD22      LEU   3   3.930   0.003  -3.661
   24   HD23  LEU   3          HD23      LEU   3   3.947  -1.713  -3.251
   25    HA   PRO   4           HA       PRO   4   5.916   3.527  -5.615
   26    HB2  PRO   4           HB2      PRO   4   7.879   2.571  -7.227
   27    HB3  PRO   4           HB3      PRO   4   8.182   3.736  -5.934
   28    HG2  PRO   4           HG2      PRO   4   8.587   0.770  -5.944
   29    HG3  PRO   4           HG3      PRO   4   9.644   2.041  -5.302
   30    HD2  PRO   4           HD2      PRO   4   8.018   0.562  -3.721
   31    HD3  PRO   4           HD3      PRO   4   8.420   2.254  -3.361
   32    H    ASP   5           H        ASP   5   5.045   3.232  -7.699
   33    HA   ASP   5           HA       ASP   5   3.866   0.596  -8.110
   34    HB2  ASP   5           HB2      ASP   5   3.210   2.785  -9.985
   35    HB3  ASP   5           HB3      ASP   5   2.147   1.650  -9.158
   36    H    CYS   6           H        CYS   6   5.769   2.997  -9.908
   37    HA   CYS   6           HA       CYS   6   6.035   1.568 -12.293
   38    HB2  CYS   6           HB2      CYS   6   7.362   3.281 -12.930
   39    HB3  CYS   6           HB3      CYS   6   6.864   4.011 -11.407
   40    H    CYS   7           H        CYS   7   7.350   0.946  -9.219
   41    HA   CYS   7           HA       CYS   7   9.656  -0.519 -10.168
   42    HB2  CYS   7           HB2      CYS   7   9.435   0.760  -7.932
   43    HB3  CYS   7           HB3      CYS   7   8.545  -0.653  -7.376
   44    H    ARG   8           H        ARG   8   6.357  -1.165  -9.330
   45    HA   ARG   8           HA       ARG   8   6.713  -4.006  -9.019
   46    HB2  ARG   8           HB2      ARG   8   4.910  -3.178  -7.784
   47    HB3  ARG   8           HB3      ARG   8   4.344  -2.167  -9.106
   48    HG2  ARG   8           HG2      ARG   8   3.444  -4.019 -10.264
   49    HG3  ARG   8           HG3      ARG   8   4.269  -5.168  -9.209
   50    HD2  ARG   8           HD2      ARG   8   1.970  -5.093  -8.563
   51    HD3  ARG   8           HD3      ARG   8   2.913  -4.286  -7.311
   52    HE   ARG   8           HE       ARG   8   1.873  -2.304  -7.838
   53   HH11  ARG   8          HH11      ARG   8   1.184  -4.680 -10.287
   54   HH12  ARG   8          HH12      ARG   8  -0.028  -3.717 -11.065
   55   HH21  ARG   8          HH21      ARG   8   0.279  -1.027  -8.853
   56   HH22  ARG   8          HH22      ARG   8  -0.542  -1.639 -10.248
   57    H    GLN   9           H        GLN   9   5.800  -1.797 -11.580
   58    HA   GLN   9           HA       GLN   9   5.237  -4.032 -13.383
   59    HB2  GLN   9           HB2      GLN   9   4.921  -1.055 -13.803
   60    HB3  GLN   9           HB3      GLN   9   4.442  -2.302 -14.946
   61    HG2  GLN   9           HG2      GLN   9   3.201  -2.987 -12.543
   62    HG3  GLN   9           HG3      GLN   9   3.016  -1.240 -12.692
   63   HE21  GLN   9          HE21      GLN   9   1.667  -4.141 -13.443
   64   HE22  GLN   9          HE22      GLN   9   0.672  -3.662 -14.771
   65    H    LYS  10           H        LYS  10   7.828  -2.192 -12.425
   66    HA   LYS  10           HA       LYS  10   9.930  -1.867 -13.229
   67    HB2  LYS  10           HB2      LYS  10   9.065  -4.102 -15.067
   68    HB3  LYS  10           HB3      LYS  10  10.704  -3.467 -15.017
   69    HG2  LYS  10           HG2      LYS  10   9.287  -4.633 -12.633
   70    HG3  LYS  10           HG3      LYS  10  10.349  -5.553 -13.702
   71    HD2  LYS  10           HD2      LYS  10  11.889  -3.375 -13.102
   72    HD3  LYS  10           HD3      LYS  10  11.002  -3.623 -11.596
   73    HE2  LYS  10           HE2      LYS  10  11.721  -6.170 -12.227
   74    HE3  LYS  10           HE3      LYS  10  13.092  -5.257 -12.856
   75    HZ1  LYS  10           HZ1      LYS  10  13.856  -5.080 -10.803
   76    HZ2  LYS  10           HZ2      LYS  10  12.524  -5.925 -10.195
   77    HZ3  LYS  10           HZ3      LYS  10  12.465  -4.240 -10.332
   78    H    THR  11           H        THR  11   8.056  -0.052 -14.110
   79    HA   THR  11           HA       THR  11   8.610   0.337 -16.963
   80    HB   THR  11           HB       THR  11   6.638   1.400 -17.152
   81    HG1  THR  11           HG1      THR  11   6.556   2.550 -14.601
   82   HG21  THR  11          HG21      THR  11   5.828   0.695 -14.381
   83   HG22  THR  11          HG22      THR  11   6.346  -0.618 -15.439
   84   HG23  THR  11          HG23      THR  11   4.995   0.414 -15.910
   85    H    CYS  12           H        CYS  12   9.710   1.321 -13.941
   86    HA   CYS  12           HA       CYS  12  11.547   3.183 -15.045
   87    HB2  CYS  12           HB2      CYS  12  10.665   5.208 -14.550
   88    HB3  CYS  12           HB3      CYS  12   9.130   4.348 -14.624
   89    H    SER  13           H        SER  13  12.684   4.416 -13.147
   90    HA   SER  13           HA       SER  13  13.660   2.426 -11.371
   91    HB2  SER  13           HB2      SER  13  14.105   5.421 -11.367
   92    HB3  SER  13           HB3      SER  13  15.034   4.253 -10.427
   93    HG   SER  13           HG       SER  13  16.111   4.747 -12.353
   94    H    CYS  14           H        CYS  14  13.519   2.316  -9.110
   95    HA   CYS  14           HA       CYS  14  11.020   3.399  -8.042
   96    HB2  CYS  14           HB2      CYS  14  12.565   1.574  -6.336
   97    HB3  CYS  14           HB3      CYS  14  10.865   1.523  -6.792
   98    H    ARG  15           H        ARG  15  13.577   4.931  -8.365
   99    HA   ARG  15           HA       ARG  15  14.060   5.611  -5.542
  100    HB2  ARG  15           HB2      ARG  15  16.147   5.072  -6.413
  101    HB3  ARG  15           HB3      ARG  15  15.777   5.755  -7.991
  102    HG2  ARG  15           HG2      ARG  15  16.285   7.891  -7.343
  103    HG3  ARG  15           HG3      ARG  15  15.925   7.576  -5.644
  104    HD2  ARG  15           HD2      ARG  15  18.048   7.062  -5.216
  105    HD3  ARG  15           HD3      ARG  15  18.103   5.924  -6.562
  106    HE   ARG  15           HE       ARG  15  18.306   8.697  -7.329
  107   HH11  ARG  15          HH11      ARG  15  20.029   5.827  -6.373
  108   HH12  ARG  15          HH12      ARG  15  21.522   6.324  -7.098
  109   HH21  ARG  15          HH21      ARG  15  20.265   9.363  -8.287
  110   HH22  ARG  15          HH22      ARG  15  21.656   8.336  -8.186
  111    H    LEU  16           H        LEU  16  12.663   6.690  -8.444
  112    HA   LEU  16           HA       LEU  16  12.951   9.504  -8.017
  113    HB2  LEU  16           HB2      LEU  16  10.827   9.353  -9.651
  114    HB3  LEU  16           HB3      LEU  16  12.497   9.234 -10.201
  115    HG   LEU  16           HG       LEU  16  12.329   6.813 -10.268
  116   HD11  LEU  16          HD11      LEU  16   9.767   7.346  -8.884
  117   HD12  LEU  16          HD12      LEU  16  10.915   6.023  -8.681
  118   HD13  LEU  16          HD13      LEU  16   9.799   6.020 -10.046
  119   HD21  LEU  16          HD21      LEU  16  11.423   6.864 -12.308
  120   HD22  LEU  16          HD22      LEU  16  11.135   8.577 -12.001
  121   HD23  LEU  16          HD23      LEU  16   9.857   7.399 -11.696
  122    H    TYR  17           H        TYR  17  10.591   7.067  -7.144
  123    HA   TYR  17           HA       TYR  17   8.544   8.857  -6.327
  124    HB2  TYR  17           HB2      TYR  17   7.368   6.986  -5.704
  125    HB3  TYR  17           HB3      TYR  17   8.530   6.247  -6.800
  126    HD1  TYR  17           HD1      TYR  17  10.883   5.719  -5.462
  127    HD2  TYR  17           HD2      TYR  17   6.969   5.772  -3.795
  128    HE1  TYR  17           HE1      TYR  17  11.637   4.223  -3.661
  129    HE2  TYR  17           HE2      TYR  17   7.712   4.277  -1.989
  130    HH   TYR  17           HH       TYR  17  11.042   3.047  -1.874
  131    H    GLU  18           H        GLU  18  11.283   7.372  -4.696
  132    HA   GLU  18           HA       GLU  18  10.605   7.971  -2.052
  133    HB2  GLU  18           HB2      GLU  18  12.991   7.154  -3.505
  134    HB3  GLU  18           HB3      GLU  18  13.370   8.223  -2.162
  135    HG2  GLU  18           HG2      GLU  18  11.518   5.947  -1.689
  136    HG3  GLU  18           HG3      GLU  18  13.244   5.622  -1.849
  137    H    LEU  19           H        LEU  19  12.022   9.947  -4.573
  138    HA   LEU  19           HA       LEU  19  13.005  12.064  -3.061
  139    HB2  LEU  19           HB2      LEU  19  11.924  11.820  -5.833
  140    HB3  LEU  19           HB3      LEU  19  12.296  13.417  -5.185
  141    HG   LEU  19           HG       LEU  19  14.621  12.243  -4.662
  142   HD11  LEU  19          HD11      LEU  19  14.581  10.963  -7.193
  143   HD12  LEU  19          HD12      LEU  19  13.272  10.295  -6.219
  144   HD13  LEU  19          HD13      LEU  19  14.926  10.266  -5.610
  145   HD21  LEU  19          HD21      LEU  19  13.894  13.196  -7.427
  146   HD22  LEU  19          HD22      LEU  19  15.482  13.245  -6.662
  147   HD23  LEU  19          HD23      LEU  19  14.176  14.261  -6.050
  148    H    LEU  20           H        LEU  20   9.765  11.663  -4.480
  149    HA   LEU  20           HA       LEU  20   8.769  14.041  -3.205
  150    HB2  LEU  20           HB2      LEU  20   7.051  11.896  -4.394
  151    HB3  LEU  20           HB3      LEU  20   6.753  13.631  -4.304
  152    HG   LEU  20           HG       LEU  20   9.082  13.212  -5.884
  153   HD11  LEU  20          HD11      LEU  20   7.957  10.903  -6.082
  154   HD12  LEU  20          HD12      LEU  20   8.434  11.740  -7.559
  155   HD13  LEU  20          HD13      LEU  20   6.746  11.745  -7.049
  156   HD21  LEU  20          HD21      LEU  20   7.900  14.485  -7.474
  157   HD22  LEU  20          HD22      LEU  20   7.350  15.067  -5.902
  158   HD23  LEU  20          HD23      LEU  20   6.336  13.971  -6.843
  159    H    HIS  21           H        HIS  21   8.425  10.550  -2.726
  160    HA   HIS  21           HA       HIS  21   6.562  10.677  -0.617
  161    HB2  HIS  21           HB2      HIS  21   8.239   8.643  -1.871
  162    HB3  HIS  21           HB3      HIS  21   8.039   8.383  -0.141
  163    HD1  HIS  21           HD1      HIS  21   5.740   7.650   0.684
  164    HD2  HIS  21           HD2      HIS  21   5.856   8.450  -3.391
  165    HE1  HIS  21           HE1      HIS  21   3.568   6.777  -0.234
  166    H    GLY  22           H        GLY  22   9.767  11.661  -0.731
  167    HA2  GLY  22           HA2      GLY  22  10.102  11.306   2.179
  168    HA3  GLY  22           HA3      GLY  22  11.420  11.539   1.039
  169    H    ALA  23           H        ALA  23  10.558  13.695  -0.415
  170    HA   ALA  23           HA       ALA  23  10.946  15.826   1.503
  171    HB1  ALA  23           HB1      ALA  23  11.579  15.415  -1.218
  172    HB2  ALA  23           HB2      ALA  23  10.520  16.823  -1.134
  173    HB3  ALA  23           HB3      ALA  23  12.010  16.783  -0.191
  174    H    GLY  24           H        GLY  24   8.294  14.207   0.696
  175    HA2  GLY  24           HA2      GLY  24   6.352  15.624   1.781
  176    HA3  GLY  24           HA3      GLY  24   6.539  16.507   0.273
  177    H    ASN  25           H        ASN  25   5.744  13.366   1.665
  178    HA   ASN  25           HA       ASN  25   4.978  12.110  -0.743
  179    HB2  ASN  25           HB2      ASN  25   3.526  10.723   0.979
  180    HB3  ASN  25           HB3      ASN  25   5.280  10.568   0.940
  181   HD21  ASN  25          HD21      ASN  25   2.638  11.100   2.872
  182   HD22  ASN  25          HD22      ASN  25   3.439  11.743   4.261
  183    H    HIS  26           H        HIS  26   3.349  14.316   1.395
  184    HA   HIS  26           HA       HIS  26   0.690  13.816   0.625
  185    HB2  HIS  26           HB2      HIS  26   2.140  15.898   2.087
  186    HB3  HIS  26           HB3      HIS  26   0.740  16.509   1.211
  187    HD1  HIS  26           HD1      HIS  26  -1.506  16.111   2.243
  188    HD2  HIS  26           HD2      HIS  26   1.480  13.820   4.003
  189    HE1  HIS  26           HE1      HIS  26  -2.580  15.027   4.242
  190    H    ALA  27           H        ALA  27   3.268  15.598  -0.886
  191    HA   ALA  27           HA       ALA  27   1.838  17.253  -2.608
  192    HB1  ALA  27           HB1      ALA  27   4.310  17.280  -2.227
  193    HB2  ALA  27           HB2      ALA  27   4.428  15.875  -3.288
  194    HB3  ALA  27           HB3      ALA  27   3.824  17.408  -3.918
  195    H    ALA  28           H        ALA  28   2.682  13.844  -2.900
  196    HA   ALA  28           HA       ALA  28   1.573  13.653  -5.569
  197    HB1  ALA  28           HB1      ALA  28   2.853  11.691  -3.696
  198    HB2  ALA  28           HB2      ALA  28   2.041  11.163  -5.171
  199    HB3  ALA  28           HB3      ALA  28   3.420  12.258  -5.267
  200    H    GLY  29           H        GLY  29   0.604  12.990  -2.277
  201    HA2  GLY  29           HA2      GLY  29  -1.639  11.349  -2.917
  202    HA3  GLY  29           HA3      GLY  29  -1.345  12.152  -1.381
  203    H    ILE  30           H        ILE  30  -1.179  14.810  -2.544
  204    HA   ILE  30           HA       ILE  30  -4.027  15.337  -2.680
  205    HB   ILE  30           HB       ILE  30  -1.694  17.256  -2.690
  206   HG12  ILE  30          HG12      ILE  30  -2.191  15.765  -0.619
  207   HG13  ILE  30          HG13      ILE  30  -1.963  17.495  -0.385
  208   HG21  ILE  30          HG21      ILE  30  -4.571  17.620  -3.051
  209   HG22  ILE  30          HG22      ILE  30  -3.873  18.636  -1.790
  210   HG23  ILE  30          HG23      ILE  30  -3.232  18.703  -3.432
  211   HD11  ILE  30          HD11      ILE  30  -4.037  17.771   0.374
  212   HD12  ILE  30          HD12      ILE  30  -4.734  16.746  -0.880
  213   HD13  ILE  30          HD13      ILE  30  -4.046  16.019   0.572
  214    H    LEU  31           H        LEU  31  -1.164  15.819  -4.718
  215    HA   LEU  31           HA       LEU  31  -2.442  17.130  -6.842
  216    HB2  LEU  31           HB2      LEU  31  -0.488  16.840  -8.034
  217    HB3  LEU  31           HB3      LEU  31   0.066  16.773  -6.362
  218    HG   LEU  31           HG       LEU  31  -0.039  14.238  -6.598
  219   HD11  LEU  31          HD11      LEU  31  -0.963  13.455  -8.460
  220   HD12  LEU  31          HD12      LEU  31   0.478  14.007  -9.314
  221   HD13  LEU  31          HD13      LEU  31  -0.944  15.046  -9.222
  222   HD21  LEU  31          HD21      LEU  31   2.168  14.136  -7.418
  223   HD22  LEU  31          HD22      LEU  31   2.018  15.720  -6.656
  224   HD23  LEU  31          HD23      LEU  31   1.949  15.575  -8.413
  225    H    THR  32           H        THR  32  -2.213  13.752  -5.996
  226    HA   THR  32           HA       THR  32  -3.265  12.850  -8.538
  227    HB   THR  32           HB       THR  32  -1.648  11.457  -7.291
  228    HG1  THR  32           HG1      THR  32  -2.862   9.508  -7.540
  229   HG21  THR  32          HG21      THR  32  -2.071  10.514  -5.218
  230   HG22  THR  32          HG22      THR  32  -3.816  10.723  -5.364
  231   HG23  THR  32          HG23      THR  32  -2.785  12.116  -5.036
  232    H    LEU  33           H        LEU  33  -4.396  13.110  -5.186
  233    HA   LEU  33           HA       LEU  33  -7.151  12.814  -6.188
  234    HB2  LEU  33           HB2      LEU  33  -5.754  11.334  -4.145
  235    HB3  LEU  33           HB3      LEU  33  -7.167  12.147  -3.474
  236    HG   LEU  33           HG       LEU  33  -7.588  10.623  -5.975
  237   HD11  LEU  33          HD11      LEU  33  -7.081   9.270  -3.329
  238   HD12  LEU  33          HD12      LEU  33  -6.107   9.113  -4.790
  239   HD13  LEU  33          HD13      LEU  33  -7.759   8.498  -4.763
  240   HD21  LEU  33          HD21      LEU  33  -9.074  11.510  -3.605
  241   HD22  LEU  33          HD22      LEU  33  -9.493   9.896  -4.180
  242   HD23  LEU  33          HD23      LEU  33  -9.616  11.280  -5.267
  243    HN1  NH2  34           HN1      NH2  34  -8.240  14.806  -5.924
  244    HN2  NH2  34           HN2      NH2  34  -7.265  16.075  -5.273
  Start of MODEL   19
    1    H1   PCA   1           H1       PCA   1   1.609   1.620   2.409
    2    HA   PCA   1           HA       PCA   1  -0.159   2.291   0.508
    3    HB2  PCA   1           HB2      PCA   1   0.607   4.248  -0.622
    4    HB3  PCA   1           HB3      PCA   1   2.263   4.058  -0.017
    5    HG2  PCA   1           HG2      PCA   1  -0.230   4.773   1.614
    6    HG3  PCA   1           HG3      PCA   1   1.355   5.572   1.643
    7    HA   PRO   2           HA       PRO   2   1.689  -1.023  -1.549
    8    HB2  PRO   2           HB2      PRO   2   0.919  -0.548  -4.108
    9    HB3  PRO   2           HB3      PRO   2  -0.202  -1.083  -2.852
   10    HG2  PRO   2           HG2      PRO   2   0.280   1.675  -3.910
   11    HG3  PRO   2           HG3      PRO   2  -1.256   0.876  -3.527
   12    HD2  PRO   2           HD2      PRO   2  -0.086   2.658  -1.858
   13    HD3  PRO   2           HD3      PRO   2  -1.055   1.292  -1.269
   14    H    LEU   3           H        LEU   3   3.416  -1.649  -2.874
   15    HA   LEU   3           HA       LEU   3   5.396   0.409  -3.312
   16    HB2  LEU   3           HB2      LEU   3   6.857  -1.239  -3.035
   17    HB3  LEU   3           HB3      LEU   3   5.481  -2.269  -2.643
   18    HG   LEU   3           HG       LEU   3   6.510  -1.962  -5.453
   19   HD11  LEU   3          HD11      LEU   3   7.929  -3.802  -5.186
   20   HD12  LEU   3          HD12      LEU   3   7.239  -4.222  -3.619
   21   HD13  LEU   3          HD13      LEU   3   8.254  -2.788  -3.780
   22   HD21  LEU   3          HD21      LEU   3   4.294  -2.862  -5.313
   23   HD22  LEU   3          HD22      LEU   3   4.781  -3.995  -4.051
   24   HD23  LEU   3          HD23      LEU   3   5.405  -4.179  -5.691
   25    HA   PRO   4           HA       PRO   4   5.046   0.957  -7.651
   26    HB2  PRO   4           HB2      PRO   4   7.613   0.835  -8.524
   27    HB3  PRO   4           HB3      PRO   4   6.981   2.193  -7.586
   28    HG2  PRO   4           HG2      PRO   4   8.603  -0.150  -6.670
   29    HG3  PRO   4           HG3      PRO   4   8.764   1.561  -6.233
   30    HD2  PRO   4           HD2      PRO   4   7.539  -0.244  -4.628
   31    HD3  PRO   4           HD3      PRO   4   7.047   1.460  -4.699
   32    H    ASP   5           H        ASP   5   4.530  -0.248  -9.383
   33    HA   ASP   5           HA       ASP   5   5.016  -3.079  -9.325
   34    HB2  ASP   5           HB2      ASP   5   3.811  -2.875 -11.638
   35    HB3  ASP   5           HB3      ASP   5   2.902  -2.605 -10.154
   36    H    CYS   6           H        CYS   6   5.967  -0.395 -11.447
   37    HA   CYS   6           HA       CYS   6   7.420  -1.870 -13.317
   38    HB2  CYS   6           HB2      CYS   6   8.067   0.147 -14.168
   39    HB3  CYS   6           HB3      CYS   6   6.772   0.718 -13.122
   40    H    CYS   7           H        CYS   7   8.182  -0.989 -10.067
   41    HA   CYS   7           HA       CYS   7  11.018  -1.306 -10.286
   42    HB2  CYS   7           HB2      CYS   7   9.491  -0.104  -8.455
   43    HB3  CYS   7           HB3      CYS   7   9.648  -1.672  -7.668
   44    H    ARG   8           H        ARG   8   8.323  -3.421  -9.744
   45    HA   ARG   8           HA       ARG   8   9.893  -5.590  -8.690
   46    HB2  ARG   8           HB2      ARG   8   7.670  -5.618  -7.955
   47    HB3  ARG   8           HB3      ARG   8   7.038  -5.279  -9.561
   48    HG2  ARG   8           HG2      ARG   8   7.449  -7.489 -10.293
   49    HG3  ARG   8           HG3      ARG   8   8.422  -7.852  -8.866
   50    HD2  ARG   8           HD2      ARG   8   6.510  -7.792  -7.450
   51    HD3  ARG   8           HD3      ARG   8   5.503  -7.128  -8.736
   52    HE   ARG   8           HE       ARG   8   6.644  -9.711  -9.321
   53   HH11  ARG   8          HH11      ARG   8   3.959  -7.985  -7.932
   54   HH12  ARG   8          HH12      ARG   8   2.848  -9.301  -8.119
   55   HH21  ARG   8          HH21      ARG   8   5.190 -11.451  -9.574
   56   HH22  ARG   8          HH22      ARG   8   3.549 -11.272  -9.053
   57    H    GLN   9           H        GLN   9   8.640  -4.613 -11.821
   58    HA   GLN   9           HA       GLN   9   9.714  -7.041 -13.054
   59    HB2  GLN   9           HB2      GLN   9   8.032  -4.828 -14.242
   60    HB3  GLN   9           HB3      GLN   9   8.531  -6.292 -15.080
   61    HG2  GLN   9           HG2      GLN   9   7.302  -7.178 -12.743
   62    HG3  GLN   9           HG3      GLN   9   6.297  -5.851 -13.323
   63   HE21  GLN   9          HE21      GLN   9   4.694  -7.515 -13.657
   64   HE22  GLN   9          HE22      GLN   9   4.733  -8.457 -15.105
   65    H    LYS  10           H        LYS  10  10.738  -3.994 -12.284
   66    HA   LYS  10           HA       LYS  10  12.524  -2.722 -12.887
   67    HB2  LYS  10           HB2      LYS  10  13.236  -5.355 -14.147
   68    HB3  LYS  10           HB3      LYS  10  14.263  -3.946 -14.373
   69    HG2  LYS  10           HG2      LYS  10  15.241  -4.352 -12.434
   70    HG3  LYS  10           HG3      LYS  10  13.694  -4.153 -11.608
   71    HD2  LYS  10           HD2      LYS  10  14.368  -6.298 -10.994
   72    HD3  LYS  10           HD3      LYS  10  13.244  -6.586 -12.325
   73    HE2  LYS  10           HE2      LYS  10  15.045  -6.931 -13.859
   74    HE3  LYS  10           HE3      LYS  10  16.233  -6.405 -12.666
   75    HZ1  LYS  10           HZ1      LYS  10  14.889  -8.966 -12.940
   76    HZ2  LYS  10           HZ2      LYS  10  15.085  -8.407 -11.356
   77    HZ3  LYS  10           HZ3      LYS  10  16.436  -8.611 -12.354
   78    H    THR  11           H        THR  11  10.215  -2.285 -14.324
   79    HA   THR  11           HA       THR  11  11.051  -2.010 -17.119
   80    HB   THR  11           HB       THR  11   8.890  -2.145 -17.724
   81    HG1  THR  11           HG1      THR  11   7.687  -0.510 -17.155
   82   HG21  THR  11          HG21      THR  11   9.302  -3.800 -15.676
   83   HG22  THR  11          HG22      THR  11   7.741  -3.682 -16.488
   84   HG23  THR  11          HG23      THR  11   8.012  -2.827 -14.970
   85    H    CYS  12           H        CYS  12  10.933  -0.235 -14.267
   86    HA   CYS  12           HA       CYS  12  11.806   2.151 -15.523
   87    HB2  CYS  12           HB2      CYS  12   9.977   3.493 -15.551
   88    HB3  CYS  12           HB3      CYS  12   9.112   1.964 -15.666
   89    H    SER  13           H        SER  13  11.785   4.020 -13.816
   90    HA   SER  13           HA       SER  13  13.064   2.946 -11.466
   91    HB2  SER  13           HB2      SER  13  12.832   5.598 -12.764
   92    HB3  SER  13           HB3      SER  13  13.033   5.613 -11.012
   93    HG   SER  13           HG       SER  13  15.065   5.582 -11.843
   94    H    CYS  14           H        CYS  14  12.454   3.303  -9.316
   95    HA   CYS  14           HA       CYS  14   9.582   3.835  -8.962
   96    HB2  CYS  14           HB2      CYS  14  10.378   2.670  -6.621
   97    HB3  CYS  14           HB3      CYS  14   9.682   1.803  -7.986
   98    H    ARG  15           H        ARG  15  12.797   4.587  -7.751
   99    HA   ARG  15           HA       ARG  15  12.144   6.083  -5.506
  100    HB2  ARG  15           HB2      ARG  15  14.443   5.433  -6.122
  101    HB3  ARG  15           HB3      ARG  15  14.403   6.583  -7.451
  102    HG2  ARG  15           HG2      ARG  15  14.792   8.341  -6.113
  103    HG3  ARG  15           HG3      ARG  15  13.769   7.714  -4.819
  104    HD2  ARG  15           HD2      ARG  15  15.549   6.975  -3.715
  105    HD3  ARG  15           HD3      ARG  15  16.069   6.038  -5.115
  106    HE   ARG  15           HE       ARG  15  16.897   8.501  -5.763
  107   HH11  ARG  15          HH11      ARG  15  17.229   6.638  -2.841
  108   HH12  ARG  15          HH12      ARG  15  18.738   7.362  -2.395
  109   HH21  ARG  15          HH21      ARG  15  18.884   9.463  -5.187
  110   HH22  ARG  15          HH22      ARG  15  19.678   8.970  -3.730
  111    H    LEU  16           H        LEU  16  11.262   6.681  -8.667
  112    HA   LEU  16           HA       LEU  16  11.482   9.420  -9.003
  113    HB2  LEU  16           HB2      LEU  16   9.369   9.188 -10.373
  114    HB3  LEU  16           HB3      LEU  16  10.728   8.165 -10.832
  115    HG   LEU  16           HG       LEU  16   9.550   6.351  -9.422
  116   HD11  LEU  16          HD11      LEU  16   6.936   7.266 -10.040
  117   HD12  LEU  16          HD12      LEU  16   7.741   8.506  -9.079
  118   HD13  LEU  16          HD13      LEU  16   7.618   6.857  -8.466
  119   HD21  LEU  16          HD21      LEU  16   9.785   6.453 -11.920
  120   HD22  LEU  16          HD22      LEU  16   8.198   7.222 -11.968
  121   HD23  LEU  16          HD23      LEU  16   8.366   5.584 -11.335
  122    H    TYR  17           H        TYR  17   8.980   7.579  -7.302
  123    HA   TYR  17           HA       TYR  17   7.366   9.828  -6.670
  124    HB2  TYR  17           HB2      TYR  17   6.385   8.243  -4.938
  125    HB3  TYR  17           HB3      TYR  17   6.304   7.710  -6.613
  126    HD1  TYR  17           HD1      TYR  17   8.552   7.426  -3.640
  127    HD2  TYR  17           HD2      TYR  17   6.931   5.541  -7.093
  128    HE1  TYR  17           HE1      TYR  17   9.687   5.333  -3.023
  129    HE2  TYR  17           HE2      TYR  17   8.060   3.442  -6.484
  130    HH   TYR  17           HH       TYR  17   9.015   2.587  -3.775
  131    H    GLU  18           H        GLU  18  10.052   8.226  -5.076
  132    HA   GLU  18           HA       GLU  18   9.825   9.369  -2.537
  133    HB2  GLU  18           HB2      GLU  18  11.866   7.958  -4.062
  134    HB3  GLU  18           HB3      GLU  18  12.556   9.162  -2.984
  135    HG2  GLU  18           HG2      GLU  18  10.773   7.967  -1.337
  136    HG3  GLU  18           HG3      GLU  18  11.229   6.619  -2.377
  137    H    LEU  19           H        LEU  19  11.158  10.631  -5.523
  138    HA   LEU  19           HA       LEU  19  12.619  12.788  -4.578
  139    HB2  LEU  19           HB2      LEU  19  11.075  12.290  -7.087
  140    HB3  LEU  19           HB3      LEU  19  11.790  13.875  -6.799
  141    HG   LEU  19           HG       LEU  19  13.365  12.784  -8.116
  142   HD11  LEU  19          HD11      LEU  19  14.146  13.671  -5.792
  143   HD12  LEU  19          HD12      LEU  19  15.262  12.767  -6.815
  144   HD13  LEU  19          HD13      LEU  19  14.461  11.967  -5.464
  145   HD21  LEU  19          HD21      LEU  19  13.605  10.325  -6.500
  146   HD22  LEU  19          HD22      LEU  19  13.715  10.555  -8.245
  147   HD23  LEU  19          HD23      LEU  19  12.136  10.490  -7.461
  148    H    LEU  20           H        LEU  20   9.190  12.762  -5.556
  149    HA   LEU  20           HA       LEU  20   8.756  15.415  -4.537
  150    HB2  LEU  20           HB2      LEU  20   6.545  13.514  -5.182
  151    HB3  LEU  20           HB3      LEU  20   6.615  15.262  -5.402
  152    HG   LEU  20           HG       LEU  20   8.590  14.061  -7.070
  153   HD11  LEU  20          HD11      LEU  20   5.825  12.916  -7.438
  154   HD12  LEU  20          HD12      LEU  20   7.238  12.018  -6.883
  155   HD13  LEU  20          HD13      LEU  20   7.206  12.692  -8.512
  156   HD21  LEU  20          HD21      LEU  20   7.500  15.287  -8.770
  157   HD22  LEU  20          HD22      LEU  20   7.333  16.243  -7.297
  158   HD23  LEU  20          HD23      LEU  20   5.971  15.292  -7.891
  159    H    HIS  21           H        HIS  21   8.164  12.129  -3.447
  160    HA   HIS  21           HA       HIS  21   6.488  12.748  -1.265
  161    HB2  HIS  21           HB2      HIS  21   8.205  10.409  -2.003
  162    HB3  HIS  21           HB3      HIS  21   7.505  10.489  -0.389
  163    HD1  HIS  21           HD1      HIS  21   5.844   8.599  -0.680
  164    HD2  HIS  21           HD2      HIS  21   5.483  11.546  -3.586
  165    HE1  HIS  21           HE1      HIS  21   3.715   8.073  -1.910
  166    H    GLY  22           H        GLY  22   9.800  13.296  -1.776
  167    HA2  GLY  22           HA2      GLY  22  10.274  13.573   1.124
  168    HA3  GLY  22           HA3      GLY  22  11.536  13.325  -0.075
  169    H    ALA  23           H        ALA  23  10.603  15.221  -1.982
  170    HA   ALA  23           HA       ALA  23  11.586  17.636  -0.705
  171    HB1  ALA  23           HB1      ALA  23  12.252  18.304  -2.755
  172    HB2  ALA  23           HB2      ALA  23  12.075  16.590  -3.133
  173    HB3  ALA  23           HB3      ALA  23  10.785  17.721  -3.542
  174    H    GLY  24           H        GLY  24   8.651  16.292  -0.834
  175    HA2  GLY  24           HA2      GLY  24   7.189  18.452   0.004
  176    HA3  GLY  24           HA3      GLY  24   7.043  18.484  -1.747
  177    H    ASN  25           H        ASN  25   6.562  16.412   1.088
  178    HA   ASN  25           HA       ASN  25   5.005  14.470  -0.284
  179    HB2  ASN  25           HB2      ASN  25   4.311  13.823   2.085
  180    HB3  ASN  25           HB3      ASN  25   6.034  13.757   1.727
  181   HD21  ASN  25          HD21      ASN  25   7.416  15.239   2.666
  182   HD22  ASN  25          HD22      ASN  25   6.941  16.239   3.992
  183    H    HIS  26           H        HIS  26   4.269  17.455   1.392
  184    HA   HIS  26           HA       HIS  26   1.492  17.106   1.671
  185    HB2  HIS  26           HB2      HIS  26   2.627  19.820   1.148
  186    HB3  HIS  26           HB3      HIS  26   1.421  19.320   2.330
  187    HD1  HIS  26           HD1      HIS  26   4.662  20.596   2.291
  188    HD2  HIS  26           HD2      HIS  26   2.897  17.414   4.296
  189    HE1  HIS  26           HE1      HIS  26   6.150  20.137   4.266
  190    H    ALA  27           H        ALA  27   3.475  18.022  -1.037
  191    HA   ALA  27           HA       ALA  27   1.603  19.281  -2.670
  192    HB1  ALA  27           HB1      ALA  27   3.132  17.925  -4.470
  193    HB2  ALA  27           HB2      ALA  27   3.579  19.456  -3.715
  194    HB3  ALA  27           HB3      ALA  27   4.178  17.936  -3.049
  195    H    ALA  28           H        ALA  28   2.202  15.853  -2.112
  196    HA   ALA  28           HA       ALA  28   0.267  15.045  -4.110
  197    HB1  ALA  28           HB1      ALA  28   2.328  13.737  -3.673
  198    HB2  ALA  28           HB2      ALA  28   1.694  13.340  -2.075
  199    HB3  ALA  28           HB3      ALA  28   0.848  12.789  -3.521
  200    H    GLY  29           H        GLY  29   0.424  15.494  -0.647
  201    HA2  GLY  29           HA2      GLY  29  -1.953  14.049  -0.018
  202    HA3  GLY  29           HA3      GLY  29  -1.142  15.215   1.018
  203    H    ILE  30           H        ILE  30  -1.292  17.379  -0.917
  204    HA   ILE  30           HA       ILE  30  -4.006  18.214  -0.336
  205    HB   ILE  30           HB       ILE  30  -1.685  19.686  -1.582
  206   HG12  ILE  30          HG12      ILE  30  -1.248  19.403   0.718
  207   HG13  ILE  30          HG13      ILE  30  -1.948  21.013   0.598
  208   HG21  ILE  30          HG21      ILE  30  -4.466  20.643  -0.933
  209   HG22  ILE  30          HG22      ILE  30  -3.107  21.713  -1.269
  210   HG23  ILE  30          HG23      ILE  30  -3.686  20.606  -2.514
  211   HD11  ILE  30          HD11      ILE  30  -4.159  19.948   1.193
  212   HD12  ILE  30          HD12      ILE  30  -3.238  18.499   1.599
  213   HD13  ILE  30          HD13      ILE  30  -2.942  20.004   2.468
  214    H    LEU  31           H        LEU  31  -1.968  17.708  -3.194
  215    HA   LEU  31           HA       LEU  31  -3.837  18.505  -5.125
  216    HB2  LEU  31           HB2      LEU  31  -2.399  17.626  -6.702
  217    HB3  LEU  31           HB3      LEU  31  -1.325  17.974  -5.349
  218    HG   LEU  31           HG       LEU  31  -1.577  15.516  -4.725
  219   HD11  LEU  31          HD11      LEU  31  -3.056  14.326  -5.872
  220   HD12  LEU  31          HD12      LEU  31  -2.003  14.475  -7.278
  221   HD13  LEU  31          HD13      LEU  31  -3.304  15.638  -7.024
  222   HD21  LEU  31          HD21      LEU  31   0.386  16.634  -5.878
  223   HD22  LEU  31          HD22      LEU  31  -0.265  15.997  -7.388
  224   HD23  LEU  31          HD23      LEU  31   0.229  14.892  -6.104
  225    H    THR  32           H        THR  32  -3.443  15.514  -3.368
  226    HA   THR  32           HA       THR  32  -5.306  14.065  -5.044
  227    HB   THR  32           HB       THR  32  -3.409  12.891  -3.980
  228    HG1  THR  32           HG1      THR  32  -5.726  11.826  -2.784
  229   HG21  THR  32          HG21      THR  32  -3.713  14.316  -1.814
  230   HG22  THR  32          HG22      THR  32  -3.147  12.650  -1.692
  231   HG23  THR  32          HG23      THR  32  -4.834  13.035  -1.354
  232    H    LEU  33           H        LEU  33  -5.252  15.429  -1.771
  233    HA   LEU  33           HA       LEU  33  -8.188  15.383  -1.790
  234    HB2  LEU  33           HB2      LEU  33  -6.497  13.860  -0.095
  235    HB3  LEU  33           HB3      LEU  33  -7.267  15.104   0.888
  236    HG   LEU  33           HG       LEU  33  -8.740  13.122  -0.846
  237   HD11  LEU  33          HD11      LEU  33  -7.618  12.898   1.819
  238   HD12  LEU  33          HD12      LEU  33  -8.312  11.658   0.775
  239   HD13  LEU  33          HD13      LEU  33  -9.362  12.637   1.800
  240   HD21  LEU  33          HD21      LEU  33 -10.714  13.911   0.335
  241   HD22  LEU  33          HD22      LEU  33  -9.920  15.243  -0.505
  242   HD23  LEU  33          HD23      LEU  33  -9.731  15.062   1.240
  243    HN1  NH2  34           HN1      NH2  34  -8.418  18.491  -0.884
  244    HN2  NH2  34           HN2      NH2  34  -7.837  17.809  -2.360
  Start of MODEL   20
    1    H1   PCA   1           H1       PCA   1   7.332  -0.733   4.403
    2    HA   PCA   1           HA       PCA   1   5.183   0.823   4.013
    3    HB2  PCA   1           HB2      PCA   1   5.900   3.006   3.372
    4    HB3  PCA   1           HB3      PCA   1   7.527   2.445   2.947
    5    HG2  PCA   1           HG2      PCA   1   6.297   2.594   5.748
    6    HG3  PCA   1           HG3      PCA   1   7.891   3.176   5.229
    7    HA   PRO   2           HA       PRO   2   4.950  -1.443   0.348
    8    HB2  PRO   2           HB2      PRO   2   3.304   0.128  -1.133
    9    HB3  PRO   2           HB3      PRO   2   2.745  -0.803   0.262
   10    HG2  PRO   2           HG2      PRO   2   3.458   2.099   0.084
   11    HG3  PRO   2           HG3      PRO   2   2.090   1.331   0.911
   12    HD2  PRO   2           HD2      PRO   2   4.314   2.145   2.223
   13    HD3  PRO   2           HD3      PRO   2   3.364   0.736   2.737
   14    H    LEU   3           H        LEU   3   6.037  -1.692  -1.532
   15    HA   LEU   3           HA       LEU   3   7.947   0.289  -2.301
   16    HB2  LEU   3           HB2      LEU   3   8.971  -1.435  -3.251
   17    HB3  LEU   3           HB3      LEU   3   7.682  -2.449  -2.605
   18    HG   LEU   3           HG       LEU   3   7.591  -1.175  -5.335
   19   HD11  LEU   3          HD11      LEU   3   8.283  -4.035  -4.713
   20   HD12  LEU   3          HD12      LEU   3   9.496  -2.792  -5.015
   21   HD13  LEU   3          HD13      LEU   3   8.336  -3.215  -6.274
   22   HD21  LEU   3          HD21      LEU   3   6.027  -3.487  -4.201
   23   HD22  LEU   3          HD22      LEU   3   5.782  -2.680  -5.749
   24   HD23  LEU   3          HD23      LEU   3   5.440  -1.825  -4.244
   25    HA   PRO   4           HA       PRO   4   5.937   2.428  -5.562
   26    HB2  PRO   4           HB2      PRO   4   7.778   2.454  -7.557
   27    HB3  PRO   4           HB3      PRO   4   7.950   3.408  -6.079
   28    HG2  PRO   4           HG2      PRO   4   9.195   0.780  -6.793
   29    HG3  PRO   4           HG3      PRO   4   9.930   2.190  -6.008
   30    HD2  PRO   4           HD2      PRO   4   9.112   0.013  -4.622
   31    HD3  PRO   4           HD3      PRO   4   9.059   1.652  -3.943
   32    H    ASP   5           H        ASP   5   4.841   2.241  -7.553
   33    HA   ASP   5           HA       ASP   5   4.392  -0.513  -8.382
   34    HB2  ASP   5           HB2      ASP   5   2.906   1.690  -9.693
   35    HB3  ASP   5           HB3      ASP   5   2.322   0.151  -9.065
   36    H    CYS   6           H        CYS   6   5.291   2.596  -9.844
   37    HA   CYS   6           HA       CYS   6   5.565   1.729 -12.480
   38    HB2  CYS   6           HB2      CYS   6   6.336   3.819 -12.885
   39    HB3  CYS   6           HB3      CYS   6   5.843   4.118 -11.222
   40    H    CYS   7           H        CYS   7   7.360   0.853  -9.769
   41    HA   CYS   7           HA       CYS   7   9.829   0.324 -11.199
   42    HB2  CYS   7           HB2      CYS   7   9.846   1.082  -8.831
   43    HB3  CYS   7           HB3      CYS   7   9.048  -0.419  -8.372
   44    H    ARG   8           H        ARG   8   6.951  -1.349 -10.234
   45    HA   ARG   8           HA       ARG   8   8.050  -3.987 -10.589
   46    HB2  ARG   8           HB2      ARG   8   6.302  -3.945  -9.042
   47    HB3  ARG   8           HB3      ARG   8   5.314  -2.889 -10.042
   48    HG2  ARG   8           HG2      ARG   8   4.309  -4.611 -11.013
   49    HG3  ARG   8           HG3      ARG   8   5.849  -5.397 -11.369
   50    HD2  ARG   8           HD2      ARG   8   4.425  -5.480  -8.711
   51    HD3  ARG   8           HD3      ARG   8   4.389  -6.762  -9.921
   52    HE   ARG   8           HE       ARG   8   7.060  -6.170  -9.303
   53   HH11  ARG   8          HH11      ARG   8   4.232  -7.593  -7.856
   54   HH12  ARG   8          HH12      ARG   8   5.134  -8.638  -6.809
   55   HH21  ARG   8          HH21      ARG   8   8.259  -7.540  -7.929
   56   HH22  ARG   8          HH22      ARG   8   7.424  -8.607  -6.851
   57    H    GLN   9           H        GLN   9   6.136  -1.719 -12.477
   58    HA   GLN   9           HA       GLN   9   5.909  -3.628 -14.671
   59    HB2  GLN   9           HB2      GLN   9   4.855  -0.804 -14.440
   60    HB3  GLN   9           HB3      GLN   9   4.485  -1.940 -15.730
   61    HG2  GLN   9           HG2      GLN   9   3.839  -3.289 -13.386
   62    HG3  GLN   9           HG3      GLN   9   3.272  -1.639 -13.135
   63   HE21  GLN   9          HE21      GLN   9   2.278  -4.538 -14.090
   64   HE22  GLN   9          HE22      GLN   9   1.054  -4.105 -15.229
   65    H    LYS  10           H        LYS  10   8.101  -1.374 -13.599
   66    HA   LYS  10           HA       LYS  10   9.960  -0.435 -14.514
   67    HB2  LYS  10           HB2      LYS  10   9.463  -1.905 -17.081
   68    HB3  LYS  10           HB3      LYS  10  10.994  -1.498 -16.318
   69    HG2  LYS  10           HG2      LYS  10  10.655  -3.174 -14.626
   70    HG3  LYS  10           HG3      LYS  10   9.038  -3.520 -15.245
   71    HD2  LYS  10           HD2      LYS  10  10.354  -5.226 -16.142
   72    HD3  LYS  10           HD3      LYS  10  10.224  -4.060 -17.461
   73    HE2  LYS  10           HE2      LYS  10  12.488  -4.629 -17.428
   74    HE3  LYS  10           HE3      LYS  10  12.422  -3.094 -16.564
   75    HZ1  LYS  10           HZ1      LYS  10  13.116  -5.731 -15.595
   76    HZ2  LYS  10           HZ2      LYS  10  12.105  -4.846 -14.567
   77    HZ3  LYS  10           HZ3      LYS  10  13.601  -4.209 -15.037
   78    H    THR  11           H        THR  11   7.633   1.038 -14.653
   79    HA   THR  11           HA       THR  11   7.567   2.206 -17.337
   80    HB   THR  11           HB       THR  11   5.452   2.871 -16.934
   81    HG1  THR  11           HG1      THR  11   4.813   3.762 -14.883
   82   HG21  THR  11          HG21      THR  11   4.277   1.245 -15.861
   83   HG22  THR  11          HG22      THR  11   5.282   1.322 -14.414
   84   HG23  THR  11          HG23      THR  11   5.855   0.460 -15.841
   85    H    CYS  12           H        CYS  12   9.051   2.684 -14.352
   86    HA   CYS  12           HA       CYS  12  10.410   5.001 -15.148
   87    HB2  CYS  12           HB2      CYS  12   9.333   6.764 -14.168
   88    HB3  CYS  12           HB3      CYS  12   7.931   5.760 -14.521
   89    H    SER  13           H        SER  13  11.488   6.082 -13.127
   90    HA   SER  13           HA       SER  13  12.989   4.110 -11.827
   91    HB2  SER  13           HB2      SER  13  12.749   7.049 -11.683
   92    HB3  SER  13           HB3      SER  13  13.362   6.276 -10.221
   93    HG   SER  13           HG       SER  13  14.916   6.895 -11.969
   94    H    CYS  14           H        CYS  14  13.036   3.403  -9.676
   95    HA   CYS  14           HA       CYS  14  10.421   3.276  -8.428
   96    HB2  CYS  14           HB2      CYS  14  12.778   2.030  -7.122
   97    HB3  CYS  14           HB3      CYS  14  11.157   1.389  -7.369
   98    H    ARG  15           H        ARG  15  13.673   3.788  -7.057
   99    HA   ARG  15           HA       ARG  15  13.047   4.840  -4.650
  100    HB2  ARG  15           HB2      ARG  15  15.313   4.703  -4.888
  101    HB3  ARG  15           HB3      ARG  15  15.283   5.299  -6.542
  102    HG2  ARG  15           HG2      ARG  15  15.260   7.522  -5.876
  103    HG3  ARG  15           HG3      ARG  15  14.695   7.129  -4.251
  104    HD2  ARG  15           HD2      ARG  15  16.823   7.282  -3.608
  105    HD3  ARG  15           HD3      ARG  15  17.091   5.766  -4.468
  106    HE   ARG  15           HE       ARG  15  17.298   7.848  -6.313
  107   HH11  ARG  15          HH11      ARG  15  18.963   6.650  -3.500
  108   HH12  ARG  15          HH12      ARG  15  20.513   7.237  -4.006
  109   HH21  ARG  15          HH21      ARG  15  19.332   8.626  -6.990
  110   HH22  ARG  15          HH22      ARG  15  20.721   8.361  -5.991
  111    H    LEU  16           H        LEU  16  12.431   6.292  -7.703
  112    HA   LEU  16           HA       LEU  16  12.345   8.995  -7.107
  113    HB2  LEU  16           HB2      LEU  16  11.537   9.162  -9.169
  114    HB3  LEU  16           HB3      LEU  16  11.647   7.405  -9.245
  115    HG   LEU  16           HG       LEU  16   9.174   8.862  -8.333
  116   HD11  LEU  16          HD11      LEU  16   8.274   8.539 -10.550
  117   HD12  LEU  16          HD12      LEU  16   9.778   7.791 -11.085
  118   HD13  LEU  16          HD13      LEU  16   9.752   9.498 -10.644
  119   HD21  LEU  16          HD21      LEU  16   8.710   6.329  -9.532
  120   HD22  LEU  16          HD22      LEU  16   8.417   6.831  -7.867
  121   HD23  LEU  16          HD23      LEU  16   9.978   6.144  -8.320
  122    H    TYR  17           H        TYR  17   9.946   6.486  -6.483
  123    HA   TYR  17           HA       TYR  17   7.905   8.237  -5.577
  124    HB2  TYR  17           HB2      TYR  17   6.666   6.355  -5.285
  125    HB3  TYR  17           HB3      TYR  17   7.948   5.625  -6.244
  126    HD1  TYR  17           HD1      TYR  17  10.063   4.893  -4.711
  127    HD2  TYR  17           HD2      TYR  17   6.025   5.197  -3.404
  128    HE1  TYR  17           HE1      TYR  17  10.543   3.321  -2.881
  129    HE2  TYR  17           HE2      TYR  17   6.495   3.627  -1.570
  130    HH   TYR  17           HH       TYR  17   7.991   2.112  -0.781
  131    H    GLU  18           H        GLU  18  10.546   6.539  -3.989
  132    HA   GLU  18           HA       GLU  18   9.777   6.923  -1.328
  133    HB2  GLU  18           HB2      GLU  18  12.234   6.220  -2.759
  134    HB3  GLU  18           HB3      GLU  18  12.524   7.069  -1.247
  135    HG2  GLU  18           HG2      GLU  18  10.531   5.026  -0.895
  136    HG3  GLU  18           HG3      GLU  18  12.001   4.355  -1.599
  137    H    LEU  19           H        LEU  19  11.346   9.066  -3.611
  138    HA   LEU  19           HA       LEU  19  12.320  11.010  -1.868
  139    HB2  LEU  19           HB2      LEU  19  11.387  11.042  -4.704
  140    HB3  LEU  19           HB3      LEU  19  11.780  12.560  -3.900
  141    HG   LEU  19           HG       LEU  19  14.027  11.233  -3.363
  142   HD11  LEU  19          HD11      LEU  19  12.690   9.541  -5.219
  143   HD12  LEU  19          HD12      LEU  19  14.279   9.340  -4.482
  144   HD13  LEU  19          HD13      LEU  19  14.116  10.224  -6.000
  145   HD21  LEU  19          HD21      LEU  19  13.412  12.576  -5.993
  146   HD22  LEU  19          HD22      LEU  19  15.017  12.336  -5.304
  147   HD23  LEU  19          HD23      LEU  19  13.858  13.391  -4.494
  148    H    LEU  20           H        LEU  20   9.151  10.822  -3.475
  149    HA   LEU  20           HA       LEU  20   8.154  13.127  -2.073
  150    HB2  LEU  20           HB2      LEU  20   6.464  11.119  -3.522
  151    HB3  LEU  20           HB3      LEU  20   6.169  12.840  -3.283
  152    HG   LEU  20           HG       LEU  20   8.576  12.516  -4.786
  153   HD11  LEU  20          HD11      LEU  20   7.841  11.343  -6.709
  154   HD12  LEU  20          HD12      LEU  20   6.203  11.189  -6.075
  155   HD13  LEU  20          HD13      LEU  20   7.526  10.295  -5.326
  156   HD21  LEU  20          HD21      LEU  20   7.066  13.691  -6.509
  157   HD22  LEU  20          HD22      LEU  20   7.411  14.519  -4.991
  158   HD23  LEU  20          HD23      LEU  20   5.861  13.708  -5.221
  159    H    HIS  21           H        HIS  21   7.620   9.623  -1.915
  160    HA   HIS  21           HA       HIS  21   5.696   9.681   0.143
  161    HB2  HIS  21           HB2      HIS  21   7.296   7.660  -1.237
  162    HB3  HIS  21           HB3      HIS  21   6.994   7.260   0.451
  163    HD1  HIS  21           HD1      HIS  21   4.606   6.635   1.108
  164    HD2  HIS  21           HD2      HIS  21   4.991   7.753  -2.875
  165    HE1  HIS  21           HE1      HIS  21   2.432   5.998   0.017
  166    H    GLY  22           H        GLY  22   8.926  10.518   0.222
  167    HA2  GLY  22           HA2      GLY  22   9.152   9.858   3.090
  168    HA3  GLY  22           HA3      GLY  22  10.520  10.107   2.016
  169    H    ALA  23           H        ALA  23   9.269  12.451   0.746
  170    HA   ALA  23           HA       ALA  23   9.938  14.382   2.843
  171    HB1  ALA  23           HB1      ALA  23   9.506  15.483   0.189
  172    HB2  ALA  23           HB2      ALA  23  10.909  15.604   1.251
  173    HB3  ALA  23           HB3      ALA  23  10.715  14.199   0.203
  174    H    GLY  24           H        GLY  24   7.236  12.928   1.908
  175    HA2  GLY  24           HA2      GLY  24   5.254  14.035   3.056
  176    HA3  GLY  24           HA3      GLY  24   5.594  15.379   1.976
  177    H    ASN  25           H        ASN  25   4.308  12.157   2.241
  178    HA   ASN  25           HA       ASN  25   3.880  11.610  -0.477
  179    HB2  ASN  25           HB2      ASN  25   2.152  10.018   0.327
  180    HB3  ASN  25           HB3      ASN  25   3.673   9.869   1.203
  181   HD21  ASN  25          HD21      ASN  25   3.735  10.280   3.353
  182   HD22  ASN  25          HD22      ASN  25   2.341  10.656   4.301
  183    H    HIS  26           H        HIS  26   2.074  13.520   1.835
  184    HA   HIS  26           HA       HIS  26  -0.329  13.763   0.392
  185    HB2  HIS  26           HB2      HIS  26   0.955  15.134   2.662
  186    HB3  HIS  26           HB3      HIS  26  -0.177  16.127   1.748
  187    HD1  HIS  26           HD1      HIS  26  -0.771  15.278   4.654
  188    HD2  HIS  26           HD2      HIS  26  -2.104  13.232   1.292
  189    HE1  HIS  26           HE1      HIS  26  -2.795  13.990   5.409
  190    H    ALA  27           H        ALA  27   2.755  15.344   0.085
  191    HA   ALA  27           HA       ALA  27   2.044  17.636  -1.327
  192    HB1  ALA  27           HB1      ALA  27   4.289  17.827  -1.934
  193    HB2  ALA  27           HB2      ALA  27   4.335  16.924  -0.419
  194    HB3  ALA  27           HB3      ALA  27   4.529  16.080  -1.956
  195    H    ALA  28           H        ALA  28   2.506  14.325  -2.440
  196    HA   ALA  28           HA       ALA  28   2.126  15.055  -5.217
  197    HB1  ALA  28           HB1      ALA  28   3.397  13.239  -5.421
  198    HB2  ALA  28           HB2      ALA  28   3.067  12.731  -3.764
  199    HB3  ALA  28           HB3      ALA  28   1.950  12.299  -5.058
  200    H    GLY  29           H        GLY  29   0.249  13.755  -2.570
  201    HA2  GLY  29           HA2      GLY  29  -1.932  12.807  -4.145
  202    HA3  GLY  29           HA3      GLY  29  -1.955  13.108  -2.413
  203    H    ILE  30           H        ILE  30  -1.161  15.893  -2.656
  204    HA   ILE  30           HA       ILE  30  -3.784  16.981  -3.241
  205    HB   ILE  30           HB       ILE  30  -1.299  18.234  -2.077
  206   HG12  ILE  30          HG12      ILE  30  -2.823  16.560  -0.783
  207   HG13  ILE  30          HG13      ILE  30  -2.332  18.057   0.001
  208   HG21  ILE  30          HG21      ILE  30  -2.604  20.232  -1.676
  209   HG22  ILE  30          HG22      ILE  30  -2.577  19.870  -3.401
  210   HG23  ILE  30          HG23      ILE  30  -4.011  19.498  -2.445
  211   HD11  ILE  30          HD11      ILE  30  -4.952  17.704  -1.427
  212   HD12  ILE  30          HD12      ILE  30  -4.726  17.449   0.303
  213   HD13  ILE  30          HD13      ILE  30  -4.458  19.046  -0.396
  214    H    LEU  31           H        LEU  31  -0.449  17.415  -4.367
  215    HA   LEU  31           HA       LEU  31  -0.950  19.457  -6.221
  216    HB2  LEU  31           HB2      LEU  31   1.198  19.113  -6.994
  217    HB3  LEU  31           HB3      LEU  31   1.279  18.507  -5.341
  218    HG   LEU  31           HG       LEU  31   0.926  16.191  -6.344
  219   HD11  LEU  31          HD11      LEU  31   0.711  17.763  -8.707
  220   HD12  LEU  31          HD12      LEU  31   0.550  16.018  -8.519
  221   HD13  LEU  31          HD13      LEU  31   2.132  16.727  -8.843
  222   HD21  LEU  31          HD21      LEU  31   3.472  17.542  -7.200
  223   HD22  LEU  31          HD22      LEU  31   3.241  15.879  -6.658
  224   HD23  LEU  31          HD23      LEU  31   3.094  17.210  -5.509
  225    H    THR  32           H        THR  32  -1.373  15.997  -6.404
  226    HA   THR  32           HA       THR  32  -1.823  16.014  -9.264
  227    HB   THR  32           HB       THR  32  -0.775  14.058  -8.177
  228    HG1  THR  32           HG1      THR  32  -2.285  13.982 -10.114
  229   HG21  THR  32          HG21      THR  32  -3.446  13.277  -7.077
  230   HG22  THR  32          HG22      THR  32  -2.375  14.311  -6.130
  231   HG23  THR  32          HG23      THR  32  -1.840  12.706  -6.628
  232    H    LEU  33           H        LEU  33  -3.754  15.604  -6.317
  233    HA   LEU  33           HA       LEU  33  -5.995  15.677  -5.932
  234    HB2  LEU  33           HB2      LEU  33  -5.433  17.980  -6.943
  235    HB3  LEU  33           HB3      LEU  33  -6.243  17.378  -8.387
  236    HG   LEU  33           HG       LEU  33  -8.212  16.906  -6.732
  237   HD11  LEU  33          HD11      LEU  33  -7.819  19.211  -5.205
  238   HD12  LEU  33          HD12      LEU  33  -6.322  18.290  -5.063
  239   HD13  LEU  33          HD13      LEU  33  -7.861  17.542  -4.636
  240   HD21  LEU  33          HD21      LEU  33  -9.192  18.952  -7.358
  241   HD22  LEU  33          HD22      LEU  33  -8.053  18.566  -8.648
  242   HD23  LEU  33          HD23      LEU  33  -7.632  19.771  -7.431
  243    HN1  NH2  34           HN1      NH2  34  -5.818  13.292  -6.854
  244    HN2  NH2  34           HN2      NH2  34  -7.365  13.112  -7.601
  Start of MODEL   21
    1    H1   PCA   1           H1       PCA   1   7.397  -1.427   4.449
    2    HA   PCA   1           HA       PCA   1   5.466   0.421   4.230
    3    HB2  PCA   1           HB2      PCA   1   6.456   2.541   3.767
    4    HB3  PCA   1           HB3      PCA   1   7.994   1.815   3.268
    5    HG2  PCA   1           HG2      PCA   1   6.809   1.876   6.092
    6    HG3  PCA   1           HG3      PCA   1   8.462   2.291   5.598
    7    HA   PRO   2           HA       PRO   2   4.922  -1.474   0.391
    8    HB2  PRO   2           HB2      PRO   2   3.473   0.412  -0.918
    9    HB3  PRO   2           HB3      PRO   2   2.814  -0.561   0.403
   10    HG2  PRO   2           HG2      PRO   2   3.883   2.235   0.461
   11    HG3  PRO   2           HG3      PRO   2   2.436   1.573   1.244
   12    HD2  PRO   2           HD2      PRO   2   4.755   1.987   2.579
   13    HD3  PRO   2           HD3      PRO   2   3.641   0.667   2.988
   14    H    LEU   3           H        LEU   3   5.853  -1.646  -1.600
   15    HA   LEU   3           HA       LEU   3   7.934   0.269  -2.244
   16    HB2  LEU   3           HB2      LEU   3   8.974  -1.473  -3.142
   17    HB3  LEU   3           HB3      LEU   3   7.669  -2.473  -2.506
   18    HG   LEU   3           HG       LEU   3   7.638  -1.246  -5.259
   19   HD11  LEU   3          HD11      LEU   3   9.534  -2.860  -4.871
   20   HD12  LEU   3          HD12      LEU   3   8.400  -3.302  -6.147
   21   HD13  LEU   3          HD13      LEU   3   8.311  -4.097  -4.575
   22   HD21  LEU   3          HD21      LEU   3   5.443  -1.762  -4.653
   23   HD22  LEU   3          HD22      LEU   3   5.924  -3.226  -3.795
   24   HD23  LEU   3          HD23      LEU   3   5.980  -3.178  -5.558
   25    HA   PRO   4           HA       PRO   4   5.999   2.355  -5.584
   26    HB2  PRO   4           HB2      PRO   4   7.882   2.342  -7.540
   27    HB3  PRO   4           HB3      PRO   4   8.025   3.322  -6.075
   28    HG2  PRO   4           HG2      PRO   4   9.278   0.680  -6.717
   29    HG3  PRO   4           HG3      PRO   4  10.000   2.102  -5.941
   30    HD2  PRO   4           HD2      PRO   4   9.147  -0.050  -4.535
   31    HD3  PRO   4           HD3      PRO   4   9.084   1.601  -3.886
   32    H    ASP   5           H        ASP   5   4.945   2.136  -7.594
   33    HA   ASP   5           HA       ASP   5   4.514  -0.632  -8.388
   34    HB2  ASP   5           HB2      ASP   5   2.738   0.566  -9.891
   35    HB3  ASP   5           HB3      ASP   5   2.458   0.415  -8.159
   36    H    CYS   6           H        CYS   6   5.427   2.460  -9.878
   37    HA   CYS   6           HA       CYS   6   5.747   1.560 -12.497
   38    HB2  CYS   6           HB2      CYS   6   6.511   3.648 -12.913
   39    HB3  CYS   6           HB3      CYS   6   6.008   3.964 -11.256
   40    H    CYS   7           H        CYS   7   7.495   0.716  -9.747
   41    HA   CYS   7           HA       CYS   7   9.986   0.168 -11.135
   42    HB2  CYS   7           HB2      CYS   7   9.980   0.974  -8.784
   43    HB3  CYS   7           HB3      CYS   7   9.171  -0.514  -8.303
   44    H    ARG   8           H        ARG   8   7.094  -1.483 -10.186
   45    HA   ARG   8           HA       ARG   8   8.196  -4.129 -10.461
   46    HB2  ARG   8           HB2      ARG   8   5.571  -2.952  -9.776
   47    HB3  ARG   8           HB3      ARG   8   5.521  -4.525 -10.562
   48    HG2  ARG   8           HG2      ARG   8   6.579  -5.585  -8.812
   49    HG3  ARG   8           HG3      ARG   8   7.333  -4.098  -8.231
   50    HD2  ARG   8           HD2      ARG   8   5.546  -4.849  -6.736
   51    HD3  ARG   8           HD3      ARG   8   5.175  -3.285  -7.459
   52    HE   ARG   8           HE       ARG   8   3.345  -4.231  -8.434
   53   HH11  ARG   8          HH11      ARG   8   5.570  -6.760  -7.554
   54   HH12  ARG   8          HH12      ARG   8   4.490  -8.042  -7.993
   55   HH21  ARG   8          HH21      ARG   8   1.914  -5.910  -9.015
   56   HH22  ARG   8          HH22      ARG   8   2.411  -7.557  -8.825
   57    H    GLN   9           H        GLN   9   6.319  -1.902 -12.436
   58    HA   GLN   9           HA       GLN   9   6.141  -3.858 -14.593
   59    HB2  GLN   9           HB2      GLN   9   5.076  -1.032 -14.457
   60    HB3  GLN   9           HB3      GLN   9   4.722  -2.213 -15.711
   61    HG2  GLN   9           HG2      GLN   9   4.045  -3.491 -13.343
   62    HG3  GLN   9           HG3      GLN   9   3.489  -1.832 -13.131
   63   HE21  GLN   9          HE21      GLN   9   1.781  -1.096 -14.299
   64   HE22  GLN   9          HE22      GLN   9   0.837  -2.091 -15.350
   65    H    LYS  10           H        LYS  10   8.295  -1.560 -13.526
   66    HA   LYS  10           HA       LYS  10  10.173  -0.640 -14.423
   67    HB2  LYS  10           HB2      LYS  10   9.619  -2.294 -16.887
   68    HB3  LYS  10           HB3      LYS  10  11.167  -1.648 -16.356
   69    HG2  LYS  10           HG2      LYS  10  10.684  -3.126 -14.236
   70    HG3  LYS  10           HG3      LYS  10   9.651  -4.005 -15.366
   71    HD2  LYS  10           HD2      LYS  10  11.672  -4.065 -16.916
   72    HD3  LYS  10           HD3      LYS  10  12.619  -3.537 -15.522
   73    HE2  LYS  10           HE2      LYS  10  11.072  -5.648 -14.574
   74    HE3  LYS  10           HE3      LYS  10  11.592  -6.162 -16.178
   75    HZ1  LYS  10           HZ1      LYS  10  13.797  -5.023 -14.931
   76    HZ2  LYS  10           HZ2      LYS  10  13.551  -6.653 -15.307
   77    HZ3  LYS  10           HZ3      LYS  10  13.088  -6.055 -13.794
   78    H    THR  11           H        THR  11   7.845   0.825 -14.624
   79    HA   THR  11           HA       THR  11   7.818   1.949 -17.326
   80    HB   THR  11           HB       THR  11   5.698   2.624 -16.962
   81    HG1  THR  11           HG1      THR  11   5.292   4.013 -15.410
   82   HG21  THR  11          HG21      THR  11   4.509   1.011 -15.887
   83   HG22  THR  11          HG22      THR  11   5.489   1.110 -14.424
   84   HG23  THR  11          HG23      THR  11   6.087   0.228 -15.828
   85    H    CYS  12           H        CYS  12   9.262   2.477 -14.331
   86    HA   CYS  12           HA       CYS  12  10.634   4.779 -15.148
   87    HB2  CYS  12           HB2      CYS  12   9.545   6.561 -14.213
   88    HB3  CYS  12           HB3      CYS  12   8.147   5.552 -14.573
   89    H    SER  13           H        SER  13  11.682   5.896 -13.131
   90    HA   SER  13           HA       SER  13  13.165   3.949 -11.774
   91    HB2  SER  13           HB2      SER  13  13.064   6.831 -11.890
   92    HB3  SER  13           HB3      SER  13  13.298   6.297 -10.226
   93    HG   SER  13           HG       SER  13  14.946   5.968 -12.458
   94    H    CYS  14           H        CYS  14  13.179   3.276  -9.613
   95    HA   CYS  14           HA       CYS  14  10.545   3.166  -8.403
   96    HB2  CYS  14           HB2      CYS  14  12.884   1.940  -7.044
   97    HB3  CYS  14           HB3      CYS  14  11.266   1.295  -7.304
   98    H    ARG  15           H        ARG  15  13.777   3.700  -6.992
   99    HA   ARG  15           HA       ARG  15  13.116   4.787  -4.610
  100    HB2  ARG  15           HB2      ARG  15  15.385   4.649  -4.813
  101    HB3  ARG  15           HB3      ARG  15  15.379   5.219  -6.476
  102    HG2  ARG  15           HG2      ARG  15  15.294   7.464  -5.831
  103    HG3  ARG  15           HG3      ARG  15  14.791   7.061  -4.187
  104    HD2  ARG  15           HD2      ARG  15  16.901   6.689  -3.499
  105    HD3  ARG  15           HD3      ARG  15  17.362   5.907  -5.011
  106    HE   ARG  15           HE       ARG  15  17.728   8.661  -4.310
  107   HH11  ARG  15          HH11      ARG  15  17.302   6.436  -6.952
  108   HH12  ARG  15          HH12      ARG  15  18.090   7.456  -8.110
  109   HH21  ARG  15          HH21      ARG  15  18.768  10.013  -5.824
  110   HH22  ARG  15          HH22      ARG  15  18.925   9.490  -7.467
  111    H    LEU  16           H        LEU  16  12.543   6.193  -7.693
  112    HA   LEU  16           HA       LEU  16  12.447   8.905  -7.138
  113    HB2  LEU  16           HB2      LEU  16  11.668   9.041  -9.214
  114    HB3  LEU  16           HB3      LEU  16  11.782   7.283  -9.262
  115    HG   LEU  16           HG       LEU  16   9.293   8.750  -8.408
  116   HD11  LEU  16          HD11      LEU  16   9.940   9.334 -10.731
  117   HD12  LEU  16          HD12      LEU  16   8.426   8.436 -10.622
  118   HD13  LEU  16          HD13      LEU  16   9.902   7.617 -11.133
  119   HD21  LEU  16          HD21      LEU  16   8.851   6.199  -9.578
  120   HD22  LEU  16          HD22      LEU  16   8.533   6.724  -7.924
  121   HD23  LEU  16          HD23      LEU  16  10.101   6.033  -8.345
  122    H    TYR  17           H        TYR  17  10.041   6.403  -6.513
  123    HA   TYR  17           HA       TYR  17   7.985   8.166  -5.662
  124    HB2  TYR  17           HB2      TYR  17   6.743   6.287  -5.361
  125    HB3  TYR  17           HB3      TYR  17   8.040   5.544  -6.291
  126    HD1  TYR  17           HD1      TYR  17  10.133   4.836  -4.716
  127    HD2  TYR  17           HD2      TYR  17   6.076   5.156  -3.473
  128    HE1  TYR  17           HE1      TYR  17  10.587   3.292  -2.856
  129    HE2  TYR  17           HE2      TYR  17   6.519   3.613  -1.609
  130    HH   TYR  17           HH       TYR  17   9.736   2.180  -1.136
  131    H    GLU  18           H        GLU  18  10.604   6.494  -4.012
  132    HA   GLU  18           HA       GLU  18   9.796   6.916  -1.368
  133    HB2  GLU  18           HB2      GLU  18  12.103   5.938  -2.710
  134    HB3  GLU  18           HB3      GLU  18  12.639   7.132  -1.536
  135    HG2  GLU  18           HG2      GLU  18  10.834   4.819  -0.880
  136    HG3  GLU  18           HG3      GLU  18  12.586   4.798  -0.688
  137    H    LEU  19           H        LEU  19  11.397   9.026  -3.658
  138    HA   LEU  19           HA       LEU  19  12.344  10.996  -1.930
  139    HB2  LEU  19           HB2      LEU  19  11.452  10.986  -4.780
  140    HB3  LEU  19           HB3      LEU  19  11.832  12.517  -3.993
  141    HG   LEU  19           HG       LEU  19  14.072  11.199  -3.403
  142   HD11  LEU  19          HD11      LEU  19  12.763   9.478  -5.254
  143   HD12  LEU  19          HD12      LEU  19  14.342   9.291  -4.492
  144   HD13  LEU  19          HD13      LEU  19  14.199  10.152  -6.024
  145   HD21  LEU  19          HD21      LEU  19  15.091  12.279  -5.337
  146   HD22  LEU  19          HD22      LEU  19  13.910  13.341  -4.570
  147   HD23  LEU  19          HD23      LEU  19  13.500  12.499  -6.065
  148    H    LEU  20           H        LEU  20   9.198  10.782  -3.580
  149    HA   LEU  20           HA       LEU  20   8.179  13.106  -2.227
  150    HB2  LEU  20           HB2      LEU  20   6.463  11.100  -3.631
  151    HB3  LEU  20           HB3      LEU  20   6.251  12.844  -3.494
  152    HG   LEU  20           HG       LEU  20   8.657  12.099  -4.966
  153   HD11  LEU  20          HD11      LEU  20   7.704  11.107  -6.846
  154   HD12  LEU  20          HD12      LEU  20   6.061  11.491  -6.336
  155   HD13  LEU  20          HD13      LEU  20   6.974  10.238  -5.497
  156   HD21  LEU  20          HD21      LEU  20   7.876  13.795  -6.467
  157   HD22  LEU  20          HD22      LEU  20   7.627  14.362  -4.815
  158   HD23  LEU  20          HD23      LEU  20   6.263  13.753  -5.754
  159    H    HIS  21           H        HIS  21   7.645   9.604  -2.025
  160    HA   HIS  21           HA       HIS  21   5.692   9.690   0.003
  161    HB2  HIS  21           HB2      HIS  21   7.313   7.651  -1.324
  162    HB3  HIS  21           HB3      HIS  21   6.986   7.275   0.365
  163    HD1  HIS  21           HD1      HIS  21   4.590   6.658   0.996
  164    HD2  HIS  21           HD2      HIS  21   5.033   7.718  -2.997
  165    HE1  HIS  21           HE1      HIS  21   2.432   6.003  -0.117
  166    H    GLY  22           H        GLY  22   8.920  10.532   0.117
  167    HA2  GLY  22           HA2      GLY  22   9.082   9.943   3.007
  168    HA3  GLY  22           HA3      GLY  22  10.479  10.114   1.953
  169    H    ALA  23           H        ALA  23   9.405  12.442   0.565
  170    HA   ALA  23           HA       ALA  23  10.100  14.430   2.586
  171    HB1  ALA  23           HB1      ALA  23  10.772  15.813   0.876
  172    HB2  ALA  23           HB2      ALA  23  11.092  14.225   0.178
  173    HB3  ALA  23           HB3      ALA  23   9.640  15.113  -0.282
  174    H    GLY  24           H        GLY  24   7.336  13.018   1.696
  175    HA2  GLY  24           HA2      GLY  24   5.390  14.160   2.851
  176    HA3  GLY  24           HA3      GLY  24   5.768  15.517   1.800
  177    H    ASN  25           H        ASN  25   4.523  12.244   1.930
  178    HA   ASN  25           HA       ASN  25   4.007  11.882  -0.804
  179    HB2  ASN  25           HB2      ASN  25   2.525  10.098  -0.136
  180    HB3  ASN  25           HB3      ASN  25   3.926  10.086   0.931
  181   HD21  ASN  25          HD21      ASN  25   0.712   9.721   0.882
  182   HD22  ASN  25          HD22      ASN  25   0.318  10.212   2.491
  183    H    HIS  26           H        HIS  26   2.201  13.511   1.724
  184    HA   HIS  26           HA       HIS  26  -0.244  13.796   0.362
  185    HB2  HIS  26           HB2      HIS  26   0.466  14.314   2.858
  186    HB3  HIS  26           HB3      HIS  26   0.703  15.937   2.217
  187    HD1  HIS  26           HD1      HIS  26  -1.314  17.377   2.171
  188    HD2  HIS  26           HD2      HIS  26  -2.287  13.342   2.357
  189    HE1  HIS  26           HE1      HIS  26  -3.815  17.300   2.420
  190    H    ALA  27           H        ALA  27   2.770  15.521   0.146
  191    HA   ALA  27           HA       ALA  27   1.938  17.907  -1.023
  192    HB1  ALA  27           HB1      ALA  27   4.435  16.744  -2.075
  193    HB2  ALA  27           HB2      ALA  27   4.132  18.322  -1.345
  194    HB3  ALA  27           HB3      ALA  27   4.331  16.900  -0.321
  195    H    ALA  28           H        ALA  28   2.498  14.739  -2.461
  196    HA   ALA  28           HA       ALA  28   2.023  15.717  -5.145
  197    HB1  ALA  28           HB1      ALA  28   3.514  13.680  -4.239
  198    HB2  ALA  28           HB2      ALA  28   2.030  12.810  -4.629
  199    HB3  ALA  28           HB3      ALA  28   2.857  13.747  -5.874
  200    H    GLY  29           H        GLY  29   0.262  14.095  -2.598
  201    HA2  GLY  29           HA2      GLY  29  -1.919  13.216  -4.212
  202    HA3  GLY  29           HA3      GLY  29  -1.912  13.348  -2.459
  203    H    ILE  30           H        ILE  30  -1.230  16.173  -2.448
  204    HA   ILE  30           HA       ILE  30  -3.906  17.205  -2.871
  205    HB   ILE  30           HB       ILE  30  -1.441  18.400  -1.614
  206   HG12  ILE  30          HG12      ILE  30  -2.954  16.619  -0.471
  207   HG13  ILE  30          HG13      ILE  30  -2.498  18.057   0.436
  208   HG21  ILE  30          HG21      ILE  30  -2.279  20.399  -2.162
  209   HG22  ILE  30          HG22      ILE  30  -3.831  19.716  -2.642
  210   HG23  ILE  30          HG23      ILE  30  -3.511  20.067  -0.944
  211   HD11  ILE  30          HD11      ILE  30  -5.011  18.214  -1.100
  212   HD12  ILE  30          HD12      ILE  30  -4.997  17.142   0.301
  213   HD13  ILE  30          HD13      ILE  30  -4.606  18.851   0.494
  214    H    LEU  31           H        LEU  31  -0.618  17.878  -4.019
  215    HA   LEU  31           HA       LEU  31  -1.241  20.067  -5.656
  216    HB2  LEU  31           HB2      LEU  31   0.898  19.886  -6.502
  217    HB3  LEU  31           HB3      LEU  31   1.043  19.127  -4.918
  218    HG   LEU  31           HG       LEU  31   0.754  16.906  -6.133
  219   HD11  LEU  31          HD11      LEU  31   0.204  17.026  -8.283
  220   HD12  LEU  31          HD12      LEU  31   1.855  17.567  -8.588
  221   HD13  LEU  31          HD13      LEU  31   0.569  18.751  -8.355
  222   HD21  LEU  31          HD21      LEU  31   3.070  16.719  -6.524
  223   HD22  LEU  31          HD22      LEU  31   2.901  17.925  -5.248
  224   HD23  LEU  31          HD23      LEU  31   3.225  18.434  -6.906
  225    H    THR  32           H        THR  32  -1.537  16.626  -6.164
  226    HA   THR  32           HA       THR  32  -2.058  16.900  -8.999
  227    HB   THR  32           HB       THR  32  -0.910  14.891  -8.128
  228    HG1  THR  32           HG1      THR  32  -2.290  13.386  -9.282
  229   HG21  THR  32          HG21      THR  32  -3.521  13.902  -7.053
  230   HG22  THR  32          HG22      THR  32  -2.467  14.883  -6.034
  231   HG23  THR  32          HG23      THR  32  -1.883  13.356  -6.695
  232    H    LEU  33           H        LEU  33  -3.898  16.132  -6.066
  233    HA   LEU  33           HA       LEU  33  -6.342  16.926  -7.476
  234    HB2  LEU  33           HB2      LEU  33  -5.888  14.373  -5.964
  235    HB3  LEU  33           HB3      LEU  33  -7.503  15.044  -6.188
  236    HG   LEU  33           HG       LEU  33  -5.680  14.362  -8.486
  237   HD11  LEU  33          HD11      LEU  33  -7.304  12.619  -6.772
  238   HD12  LEU  33          HD12      LEU  33  -5.959  12.230  -7.844
  239   HD13  LEU  33          HD13      LEU  33  -7.582  12.434  -8.504
  240   HD21  LEU  33          HD21      LEU  33  -7.514  14.691  -9.850
  241   HD22  LEU  33          HD22      LEU  33  -7.723  15.960  -8.644
  242   HD23  LEU  33          HD23      LEU  33  -8.666  14.474  -8.533
  243    HN1  NH2  34           HN1      NH2  34  -7.876  18.284  -5.231
  244    HN2  NH2  34           HN2      NH2  34  -6.452  19.042  -5.848
  Start of MODEL   22
    1    H1   PCA   1           H1       PCA   1   0.522   0.294  -0.027
    2    HA   PCA   1           HA       PCA   1   2.927   1.395   0.415
    3    HB2  PCA   1           HB2      PCA   1   3.980   0.276   2.239
    4    HB3  PCA   1           HB3      PCA   1   2.891  -1.118   2.130
    5    HG2  PCA   1           HG2      PCA   1   2.169   1.727   3.004
    6    HG3  PCA   1           HG3      PCA   1   1.754   0.204   3.814
    7    HA   PRO   2           HA       PRO   2   2.309  -1.547  -3.068
    8    HB2  PRO   2           HB2      PRO   2   2.493   0.367  -4.984
    9    HB3  PRO   2           HB3      PRO   2   0.971  -0.053  -4.190
   10    HG2  PRO   2           HG2      PRO   2   2.830   2.227  -3.636
   11    HG3  PRO   2           HG3      PRO   2   1.058   2.222  -3.719
   12    HD2  PRO   2           HD2      PRO   2   2.407   2.182  -1.372
   13    HD3  PRO   2           HD3      PRO   2   0.835   1.384  -1.584
   14    H    LEU   3           H        LEU   3   4.010  -2.529  -3.984
   15    HA   LEU   3           HA       LEU   3   6.655  -1.541  -3.531
   16    HB2  LEU   3           HB2      LEU   3   7.344  -3.626  -4.025
   17    HB3  LEU   3           HB3      LEU   3   5.639  -4.003  -3.781
   18    HG   LEU   3           HG       LEU   3   5.749  -3.388  -6.459
   19   HD11  LEU   3          HD11      LEU   3   7.608  -4.547  -7.412
   20   HD12  LEU   3          HD12      LEU   3   8.179  -5.050  -5.821
   21   HD13  LEU   3          HD13      LEU   3   8.234  -3.348  -6.280
   22   HD21  LEU   3          HD21      LEU   3   4.504  -5.224  -6.125
   23   HD22  LEU   3          HD22      LEU   3   5.503  -5.782  -4.783
   24   HD23  LEU   3          HD23      LEU   3   6.003  -6.095  -6.445
   25    HA   PRO   4           HA       PRO   4   7.501   0.584  -7.276
   26    HB2  PRO   4           HB2      PRO   4  10.085  -0.105  -7.739
   27    HB3  PRO   4           HB3      PRO   4   9.602   0.997  -6.444
   28    HG2  PRO   4           HG2      PRO   4  10.262  -1.920  -6.303
   29    HG3  PRO   4           HG3      PRO   4  10.739  -0.611  -5.206
   30    HD2  PRO   4           HD2      PRO   4   8.712  -2.315  -4.644
   31    HD3  PRO   4           HD3      PRO   4   8.714  -0.623  -4.107
   32    H    ASP   5           H        ASP   5   7.166   0.269  -9.399
   33    HA   ASP   5           HA       ASP   5   6.893  -2.419 -10.392
   34    HB2  ASP   5           HB2      ASP   5   6.735  -0.138 -12.279
   35    HB3  ASP   5           HB3      ASP   5   5.650  -1.511 -12.074
   36    H    CYS   6           H        CYS   6   8.957   0.372 -11.145
   37    HA   CYS   6           HA       CYS   6  10.414  -0.755 -13.233
   38    HB2  CYS   6           HB2      CYS   6  11.333   1.244 -11.154
   39    HB3  CYS   6           HB3      CYS   6  12.161   0.909 -12.672
   40    H    CYS   7           H        CYS   7  10.689  -1.185  -9.782
   41    HA   CYS   7           HA       CYS   7  13.271  -2.363  -9.764
   42    HB2  CYS   7           HB2      CYS   7  11.469  -1.538  -7.841
   43    HB3  CYS   7           HB3      CYS   7  11.457  -3.290  -7.663
   44    H    ARG   8           H        ARG   8  10.067  -3.578 -10.382
   45    HA   ARG   8           HA       ARG   8  10.804  -6.351 -10.135
   46    HB2  ARG   8           HB2      ARG   8   8.539  -5.887  -9.655
   47    HB3  ARG   8           HB3      ARG   8   8.344  -4.919 -11.110
   48    HG2  ARG   8           HG2      ARG   8   8.219  -6.786 -12.488
   49    HG3  ARG   8           HG3      ARG   8   8.960  -7.841 -11.283
   50    HD2  ARG   8           HD2      ARG   8   6.600  -6.716 -10.164
   51    HD3  ARG   8           HD3      ARG   8   6.206  -7.355 -11.759
   52    HE   ARG   8           HE       ARG   8   6.626  -9.493 -10.990
   53   HH11  ARG   8          HH11      ARG   8   7.577  -7.138  -8.608
   54   HH12  ARG   8          HH12      ARG   8   7.780  -8.306  -7.345
   55   HH21  ARG   8          HH21      ARG   8   6.890 -11.040  -9.334
   56   HH22  ARG   8          HH22      ARG   8   7.390 -10.525  -7.759
   57    H    GLN   9           H        GLN   9  10.421  -4.013 -12.736
   58    HA   GLN   9           HA       GLN   9  11.120  -6.055 -14.714
   59    HB2  GLN   9           HB2      GLN   9  10.217  -3.195 -15.097
   60    HB3  GLN   9           HB3      GLN   9  10.518  -4.350 -16.388
   61    HG2  GLN   9           HG2      GLN   9   8.722  -5.616 -14.668
   62    HG3  GLN   9           HG3      GLN   9   8.159  -3.951 -14.799
   63   HE21  GLN   9          HE21      GLN   9   6.316  -4.824 -15.890
   64   HE22  GLN   9          HE22      GLN   9   6.410  -5.224 -17.568
   65    H    LYS  10           H        LYS  10  12.618  -3.804 -12.777
   66    HA   LYS  10           HA       LYS  10  14.655  -2.781 -12.769
   67    HB2  LYS  10           HB2      LYS  10  15.705  -4.738 -14.755
   68    HB3  LYS  10           HB3      LYS  10  16.422  -4.172 -13.252
   69    HG2  LYS  10           HG2      LYS  10  14.315  -5.501 -12.265
   70    HG3  LYS  10           HG3      LYS  10  14.580  -6.419 -13.750
   71    HD2  LYS  10           HD2      LYS  10  17.076  -6.390 -12.978
   72    HD3  LYS  10           HD3      LYS  10  16.379  -6.058 -11.390
   73    HE2  LYS  10           HE2      LYS  10  15.926  -8.453 -13.155
   74    HE3  LYS  10           HE3      LYS  10  16.646  -8.411 -11.546
   75    HZ1  LYS  10           HZ1      LYS  10  14.034  -7.301 -11.516
   76    HZ2  LYS  10           HZ2      LYS  10  14.652  -8.599 -10.626
   77    HZ3  LYS  10           HZ3      LYS  10  14.002  -8.863 -12.165
   78    H    THR  11           H        THR  11  12.904  -1.571 -14.510
   79    HA   THR  11           HA       THR  11  14.537  -0.959 -16.880
   80    HB   THR  11           HB       THR  11  12.629  -1.129 -18.016
   81    HG1  THR  11           HG1      THR  11  11.008   0.587 -17.547
   82   HG21  THR  11          HG21      THR  11  11.826  -2.477 -16.018
   83   HG22  THR  11          HG22      THR  11  10.571  -1.775 -17.040
   84   HG23  THR  11          HG23      THR  11  10.979  -1.020 -15.500
   85    H    CYS  12           H        CYS  12  13.644   0.230 -13.863
   86    HA   CYS  12           HA       CYS  12  14.989   2.707 -14.294
   87    HB2  CYS  12           HB2      CYS  12  13.305   4.154 -14.614
   88    HB3  CYS  12           HB3      CYS  12  12.298   2.753 -14.966
   89    H    SER  13           H        SER  13  14.623   4.170 -12.250
   90    HA   SER  13           HA       SER  13  15.483   2.684 -10.022
   91    HB2  SER  13           HB2      SER  13  14.295   5.448  -9.831
   92    HB3  SER  13           HB3      SER  13  15.586   4.739  -8.860
   93    HG   SER  13           HG       SER  13  16.659   5.967 -10.283
   94    H    CYS  14           H        CYS  14  14.466   1.983  -8.193
   95    HA   CYS  14           HA       CYS  14  11.651   1.488  -8.381
   96    HB2  CYS  14           HB2      CYS  14  13.114   1.021  -5.829
   97    HB3  CYS  14           HB3      CYS  14  11.947  -0.003  -6.659
   98    H    ARG  15           H        ARG  15  13.667   3.820  -6.786
   99    HA   ARG  15           HA       ARG  15  11.730   4.679  -4.871
  100    HB2  ARG  15           HB2      ARG  15  14.400   5.059  -5.131
  101    HB3  ARG  15           HB3      ARG  15  13.803   6.596  -5.743
  102    HG2  ARG  15           HG2      ARG  15  13.648   7.289  -3.647
  103    HG3  ARG  15           HG3      ARG  15  12.348   6.119  -3.410
  104    HD2  ARG  15           HD2      ARG  15  13.873   5.614  -1.718
  105    HD3  ARG  15           HD3      ARG  15  14.219   4.423  -2.971
  106    HE   ARG  15           HE       ARG  15  15.846   6.740  -3.254
  107   HH11  ARG  15          HH11      ARG  15  15.475   3.804  -1.419
  108   HH12  ARG  15          HH12      ARG  15  17.159   3.678  -1.034
  109   HH21  ARG  15          HH21      ARG  15  18.066   6.584  -2.754
  110   HH22  ARG  15          HH22      ARG  15  18.632   5.260  -1.793
  111    H    LEU  16           H        LEU  16  11.545   4.792  -8.081
  112    HA   LEU  16           HA       LEU  16  10.979   7.434  -8.775
  113    HB2  LEU  16           HB2      LEU  16  10.215   6.609 -10.755
  114    HB3  LEU  16           HB3      LEU  16  11.148   5.226 -10.186
  115    HG   LEU  16           HG       LEU  16   9.106   4.413 -11.108
  116   HD11  LEU  16          HD11      LEU  16   8.961   2.914  -9.484
  117   HD12  LEU  16          HD12      LEU  16   8.101   4.061  -8.458
  118   HD13  LEU  16          HD13      LEU  16   9.863   4.001  -8.428
  119   HD21  LEU  16          HD21      LEU  16   7.091   5.387 -10.921
  120   HD22  LEU  16          HD22      LEU  16   8.018   6.801 -10.419
  121   HD23  LEU  16          HD23      LEU  16   7.304   5.738  -9.205
  122    H    TYR  17           H        TYR  17   9.071   5.062  -7.080
  123    HA   TYR  17           HA       TYR  17   6.557   6.354  -7.366
  124    HB2  TYR  17           HB2      TYR  17   5.822   4.874  -5.548
  125    HB3  TYR  17           HB3      TYR  17   6.731   3.985  -6.765
  126    HD1  TYR  17           HD1      TYR  17   7.115   5.638  -3.450
  127    HD2  TYR  17           HD2      TYR  17   8.540   2.659  -6.132
  128    HE1  TYR  17           HE1      TYR  17   8.616   4.787  -1.697
  129    HE2  TYR  17           HE2      TYR  17  10.045   1.799  -4.386
  130    HH   TYR  17           HH       TYR  17   9.982   1.883  -1.697
  131    H    GLU  18           H        GLU  18   9.143   6.530  -4.978
  132    HA   GLU  18           HA       GLU  18   7.812   8.034  -3.028
  133    HB2  GLU  18           HB2      GLU  18  10.580   7.336  -3.665
  134    HB3  GLU  18           HB3      GLU  18  10.427   8.909  -2.896
  135    HG2  GLU  18           HG2      GLU  18   8.777   7.205  -1.427
  136    HG3  GLU  18           HG3      GLU  18  10.245   6.283  -1.747
  137    H    LEU  19           H        LEU  19   9.374   8.978  -6.017
  138    HA   LEU  19           HA       LEU  19   9.617  11.722  -5.599
  139    HB2  LEU  19           HB2      LEU  19   9.266  10.010  -8.018
  140    HB3  LEU  19           HB3      LEU  19   9.194  11.763  -8.181
  141    HG   LEU  19           HG       LEU  19  11.500  11.637  -6.905
  142   HD11  LEU  19          HD11      LEU  19  12.217   9.311  -8.406
  143   HD12  LEU  19          HD12      LEU  19  10.923   8.911  -7.277
  144   HD13  LEU  19          HD13      LEU  19  12.418   9.633  -6.684
  145   HD21  LEU  19          HD21      LEU  19  10.996  12.498  -9.212
  146   HD22  LEU  19          HD22      LEU  19  11.345  10.878  -9.815
  147   HD23  LEU  19          HD23      LEU  19  12.605  11.807  -9.000
  148    H    LEU  20           H        LEU  20   6.914   9.915  -7.051
  149    HA   LEU  20           HA       LEU  20   5.257  12.270  -7.172
  150    HB2  LEU  20           HB2      LEU  20   4.292   9.451  -7.498
  151    HB3  LEU  20           HB3      LEU  20   3.650  10.926  -8.219
  152    HG   LEU  20           HG       LEU  20   6.355  10.492  -9.094
  153   HD11  LEU  20          HD11      LEU  20   5.765   8.453 -10.488
  154   HD12  LEU  20          HD12      LEU  20   4.451   8.182  -9.345
  155   HD13  LEU  20          HD13      LEU  20   6.123   8.174  -8.784
  156   HD21  LEU  20          HD21      LEU  20   3.650  10.694 -10.385
  157   HD22  LEU  20          HD22      LEU  20   5.122  10.434 -11.321
  158   HD23  LEU  20          HD23      LEU  20   4.943  11.892 -10.344
  159    H    HIS  21           H        HIS  21   5.706   9.556  -5.027
  160    HA   HIS  21           HA       HIS  21   3.290   9.866  -3.561
  161    HB2  HIS  21           HB2      HIS  21   5.807   8.329  -3.252
  162    HB3  HIS  21           HB3      HIS  21   4.893   8.640  -1.779
  163    HD1  HIS  21           HD1      HIS  21   3.779   6.472  -1.301
  164    HD2  HIS  21           HD2      HIS  21   3.423   7.565  -5.294
  165    HE1  HIS  21           HE1      HIS  21   2.258   4.757  -2.335
  166    H    GLY  22           H        GLY  22   6.202  11.629  -3.645
  167    HA2  GLY  22           HA2      GLY  22   5.529  12.908  -1.067
  168    HA3  GLY  22           HA3      GLY  22   7.169  12.770  -1.682
  169    H    ALA  23           H        ALA  23   6.813  13.526  -4.319
  170    HA   ALA  23           HA       ALA  23   6.394  16.388  -3.978
  171    HB1  ALA  23           HB1      ALA  23   7.263  15.241  -6.576
  172    HB2  ALA  23           HB2      ALA  23   7.790  16.709  -5.752
  173    HB3  ALA  23           HB3      ALA  23   8.372  15.136  -5.208
  174    H    GLY  24           H        GLY  24   4.408  13.923  -4.624
  175    HA2  GLY  24           HA2      GLY  24   2.783  15.537  -6.491
  176    HA3  GLY  24           HA3      GLY  24   2.884  13.787  -6.616
  177    H    ASN  25           H        ASN  25   2.727  13.140  -3.885
  178    HA   ASN  25           HA       ASN  25  -0.092  13.241  -3.517
  179    HB2  ASN  25           HB2      ASN  25   1.344  11.338  -2.791
  180    HB3  ASN  25           HB3      ASN  25   2.025  12.372  -1.538
  181   HD21  ASN  25          HD21      ASN  25  -0.679  10.495  -2.542
  182   HD22  ASN  25          HD22      ASN  25  -1.584  10.617  -1.075
  183    H    HIS  26           H        HIS  26   2.640  14.923  -2.062
  184    HA   HIS  26           HA       HIS  26   1.246  16.176   0.037
  185    HB2  HIS  26           HB2      HIS  26   3.864  16.075  -0.772
  186    HB3  HIS  26           HB3      HIS  26   3.436  17.743  -1.140
  187    HD1  HIS  26           HD1      HIS  26   5.007  18.568   0.762
  188    HD2  HIS  26           HD2      HIS  26   1.864  16.172   2.043
  189    HE1  HIS  26           HE1      HIS  26   4.916  18.856   3.259
  190    H    ALA  27           H        ALA  27   1.514  16.900  -3.356
  191    HA   ALA  27           HA       ALA  27   0.797  19.591  -3.386
  192    HB1  ALA  27           HB1      ALA  27   1.506  17.977  -5.308
  193    HB2  ALA  27           HB2      ALA  27  -0.232  17.740  -5.490
  194    HB3  ALA  27           HB3      ALA  27   0.460  19.354  -5.652
  195    H    ALA  28           H        ALA  28  -1.192  16.704  -3.093
  196    HA   ALA  28           HA       ALA  28  -3.659  18.223  -3.228
  197    HB1  ALA  28           HB1      ALA  28  -3.544  15.362  -2.381
  198    HB2  ALA  28           HB2      ALA  28  -4.768  16.207  -3.330
  199    HB3  ALA  28           HB3      ALA  28  -3.218  15.791  -4.061
  200    H    GLY  29           H        GLY  29  -1.574  16.789  -0.809
  201    HA2  GLY  29           HA2      GLY  29  -3.382  16.852   1.363
  202    HA3  GLY  29           HA3      GLY  29  -1.629  16.825   1.486
  203    H    ILE  30           H        ILE  30  -1.154  19.262   0.070
  204    HA   ILE  30           HA       ILE  30  -1.803  21.122   2.211
  205    HB   ILE  30           HB       ILE  30   0.063  21.305  -0.148
  206   HG12  ILE  30          HG12      ILE  30   1.793  21.081   1.395
  207   HG13  ILE  30          HG13      ILE  30   0.798  21.628   2.740
  208   HG21  ILE  30          HG21      ILE  30  -1.048  23.435   1.557
  209   HG22  ILE  30          HG22      ILE  30   0.698  23.473   1.315
  210   HG23  ILE  30          HG23      ILE  30  -0.386  23.514  -0.075
  211   HD11  ILE  30          HD11      ILE  30   0.526  18.979   1.341
  212   HD12  ILE  30          HD12      ILE  30   1.334  19.250   2.886
  213   HD13  ILE  30          HD13      ILE  30  -0.401  19.527   2.738
  214    H    LEU  31           H        LEU  31  -2.364  20.715  -1.247
  215    HA   LEU  31           HA       LEU  31  -3.503  23.173  -1.846
  216    HB2  LEU  31           HB2      LEU  31  -3.817  20.417  -2.935
  217    HB3  LEU  31           HB3      LEU  31  -4.915  21.680  -3.486
  218    HG   LEU  31           HG       LEU  31  -1.919  21.921  -3.667
  219   HD11  LEU  31          HD11      LEU  31  -1.869  20.881  -5.677
  220   HD12  LEU  31          HD12      LEU  31  -3.530  21.320  -6.074
  221   HD13  LEU  31          HD13      LEU  31  -3.212  19.984  -4.968
  222   HD21  LEU  31          HD21      LEU  31  -2.269  23.874  -4.731
  223   HD22  LEU  31          HD22      LEU  31  -3.804  23.845  -3.863
  224   HD23  LEU  31          HD23      LEU  31  -3.727  23.296  -5.538
  225    H    THR  32           H        THR  32  -4.928  20.338  -0.328
  226    HA   THR  32           HA       THR  32  -7.534  21.652  -0.182
  227    HB   THR  32           HB       THR  32  -7.572  19.311  -0.823
  228    HG1  THR  32           HG1      THR  32  -9.312  20.008   0.461
  229   HG21  THR  32          HG21      THR  32  -5.466  19.014   0.934
  230   HG22  THR  32          HG22      THR  32  -6.334  17.705   0.132
  231   HG23  THR  32          HG23      THR  32  -6.795  18.203   1.759
  232    H    LEU  33           H        LEU  33  -4.901  20.562   1.879
  233    HA   LEU  33           HA       LEU  33  -4.354  21.035   4.035
  234    HB2  LEU  33           HB2      LEU  33  -4.999  23.362   3.159
  235    HB3  LEU  33           HB3      LEU  33  -6.501  23.131   4.051
  236    HG   LEU  33           HG       LEU  33  -4.947  22.715   6.083
  237   HD11  LEU  33          HD11      LEU  33  -2.910  22.671   4.554
  238   HD12  LEU  33          HD12      LEU  33  -2.794  23.638   6.024
  239   HD13  LEU  33          HD13      LEU  33  -3.078  24.425   4.472
  240   HD21  LEU  33          HD21      LEU  33  -4.603  25.429   5.960
  241   HD22  LEU  33          HD22      LEU  33  -6.067  24.605   6.498
  242   HD23  LEU  33          HD23      LEU  33  -5.931  25.162   4.829
  243    HN1  NH2  34           HN1      NH2  34  -8.105  21.517   4.391
  244    HN2  NH2  34           HN2      NH2  34  -7.468  21.635   5.992
  Start of MODEL   23
    1    H1   PCA   1           H1       PCA   1   2.630   3.351   3.901
    2    HA   PCA   1           HA       PCA   1   5.033   4.449   3.444
    3    HB2  PCA   1           HB2      PCA   1   6.702   3.201   4.603
    4    HB3  PCA   1           HB3      PCA   1   5.633   1.803   4.821
    5    HG2  PCA   1           HG2      PCA   1   5.369   4.556   6.139
    6    HG3  PCA   1           HG3      PCA   1   5.279   2.964   6.919
    7    HA   PRO   2           HA       PRO   2   3.041   1.820   0.246
    8    HB2  PRO   2           HB2      PRO   2   2.551   3.894  -1.435
    9    HB3  PRO   2           HB3      PRO   2   1.434   3.413  -0.153
   10    HG2  PRO   2           HG2      PRO   2   3.448   5.627  -0.178
   11    HG3  PRO   2           HG3      PRO   2   1.781   5.638   0.426
   12    HD2  PRO   2           HD2      PRO   2   3.923   5.386   2.064
   13    HD3  PRO   2           HD3      PRO   2   2.361   4.617   2.410
   14    H    LEU   3           H        LEU   3   4.169   0.954  -1.403
   15    HA   LEU   3           HA       LEU   3   6.803   2.027  -1.978
   16    HB2  LEU   3           HB2      LEU   3   7.357  -0.088  -2.359
   17    HB3  LEU   3           HB3      LEU   3   5.741  -0.523  -1.806
   18    HG   LEU   3           HG       LEU   3   6.423   0.031  -4.689
   19   HD11  LEU   3          HD11      LEU   3   6.082  -2.677  -3.432
   20   HD12  LEU   3          HD12      LEU   3   7.659  -1.925  -3.668
   21   HD13  LEU   3          HD13      LEU   3   6.638  -2.287  -5.060
   22   HD21  LEU   3          HD21      LEU   3   4.131   0.276  -4.477
   23   HD22  LEU   3          HD22      LEU   3   4.011  -0.956  -3.221
   24   HD23  LEU   3          HD23      LEU   3   4.294  -1.429  -4.897
   25    HA   PRO   4           HA       PRO   4   6.023   3.785  -5.921
   26    HB2  PRO   4           HB2      PRO   4   8.032   2.824  -7.473
   27    HB3  PRO   4           HB3      PRO   4   8.291   4.021  -6.198
   28    HG2  PRO   4           HG2      PRO   4   8.738   1.061  -6.137
   29    HG3  PRO   4           HG3      PRO   4   9.764   2.361  -5.501
   30    HD2  PRO   4           HD2      PRO   4   8.127   0.892  -3.922
   31    HD3  PRO   4           HD3      PRO   4   8.497   2.596  -3.590
   32    H    ASP   5           H        ASP   5   5.200   3.433  -8.017
   33    HA   ASP   5           HA       ASP   5   4.050   0.783  -8.390
   34    HB2  ASP   5           HB2      ASP   5   3.447   2.897 -10.360
   35    HB3  ASP   5           HB3      ASP   5   2.360   1.803  -9.510
   36    H    CYS   6           H        CYS   6   6.007   3.128 -10.203
   37    HA   CYS   6           HA       CYS   6   6.347   1.631 -12.534
   38    HB2  CYS   6           HB2      CYS   6   7.660   3.345 -13.174
   39    HB3  CYS   6           HB3      CYS   6   7.185   4.091 -11.652
   40    H    CYS   7           H        CYS   7   7.459   0.993  -9.418
   41    HA   CYS   7           HA       CYS   7   9.826  -0.472 -10.241
   42    HB2  CYS   7           HB2      CYS   7   9.562   0.855  -8.052
   43    HB3  CYS   7           HB3      CYS   7   8.597  -0.507  -7.492
   44    H    ARG   8           H        ARG   8   6.492  -1.074  -9.506
   45    HA   ARG   8           HA       ARG   8   6.815  -3.911  -9.127
   46    HB2  ARG   8           HB2      ARG   8   4.570  -1.980  -9.115
   47    HB3  ARG   8           HB3      ARG   8   4.170  -3.628  -9.581
   48    HG2  ARG   8           HG2      ARG   8   5.074  -4.467  -7.493
   49    HG3  ARG   8           HG3      ARG   8   5.557  -2.833  -7.029
   50    HD2  ARG   8           HD2      ARG   8   3.269  -2.121  -6.933
   51    HD3  ARG   8           HD3      ARG   8   2.716  -3.655  -7.605
   52    HE   ARG   8           HE       ARG   8   4.118  -4.222  -5.270
   53   HH11  ARG   8          HH11      ARG   8   1.216  -2.559  -6.236
   54   HH12  ARG   8          HH12      ARG   8   0.388  -2.866  -4.745
   55   HH21  ARG   8          HH21      ARG   8   3.038  -4.633  -3.303
   56   HH22  ARG   8          HH22      ARG   8   1.426  -4.046  -3.078
   57    H    GLN   9           H        GLN   9   5.982  -1.746 -11.755
   58    HA   GLN   9           HA       GLN   9   5.458  -4.009 -13.532
   59    HB2  GLN   9           HB2      GLN   9   5.210  -1.040 -14.047
   60    HB3  GLN   9           HB3      GLN   9   4.715  -2.319 -15.147
   61    HG2  GLN   9           HG2      GLN   9   3.419  -2.886 -12.748
   62    HG3  GLN   9           HG3      GLN   9   3.293  -1.139 -12.943
   63   HE21  GLN   9          HE21      GLN   9   2.126  -0.300 -14.651
   64   HE22  GLN   9          HE22      GLN   9   1.061  -1.262 -15.613
   65    H    LYS  10           H        LYS  10   8.039  -2.172 -12.533
   66    HA   LYS  10           HA       LYS  10  10.174  -1.905 -13.271
   67    HB2  LYS  10           HB2      LYS  10   9.507  -4.003 -15.339
   68    HB3  LYS  10           HB3      LYS  10  11.100  -3.581 -14.725
   69    HG2  LYS  10           HG2      LYS  10  10.889  -4.894 -12.929
   70    HG3  LYS  10           HG3      LYS  10   9.212  -4.414 -12.654
   71    HD2  LYS  10           HD2      LYS  10   8.541  -5.901 -14.531
   72    HD3  LYS  10           HD3      LYS  10  10.215  -6.449 -14.644
   73    HE2  LYS  10           HE2      LYS  10   8.318  -6.789 -12.329
   74    HE3  LYS  10           HE3      LYS  10   9.001  -8.051 -13.353
   75    HZ1  LYS  10           HZ1      LYS  10  10.549  -6.307 -11.513
   76    HZ2  LYS  10           HZ2      LYS  10  11.186  -7.544 -12.475
   77    HZ3  LYS  10           HZ3      LYS  10  10.124  -7.917 -11.212
   78    H    THR  11           H        THR  11   8.361  -0.067 -14.226
   79    HA   THR  11           HA       THR  11   8.970   0.273 -17.071
   80    HB   THR  11           HB       THR  11   7.057   1.442 -17.284
   81    HG1  THR  11           HG1      THR  11   6.400   3.020 -15.722
   82   HG21  THR  11          HG21      THR  11   5.364   0.496 -16.089
   83   HG22  THR  11          HG22      THR  11   6.162   0.765 -14.539
   84   HG23  THR  11          HG23      THR  11   6.668  -0.572 -15.572
   85    H    CYS  12           H        CYS  12  10.091   1.253 -14.052
   86    HA   CYS  12           HA       CYS  12  12.045   2.981 -15.146
   87    HB2  CYS  12           HB2      CYS  12  11.292   5.085 -14.707
   88    HB3  CYS  12           HB3      CYS  12   9.725   4.318 -14.947
   89    H    SER  13           H        SER  13  13.169   4.240 -13.255
   90    HA   SER  13           HA       SER  13  13.992   2.294 -11.370
   91    HB2  SER  13           HB2      SER  13  14.574   5.217 -11.753
   92    HB3  SER  13           HB3      SER  13  15.162   4.370 -10.322
   93    HG   SER  13           HG       SER  13  16.150   4.348 -12.813
   94    H    CYS  14           H        CYS  14  13.749   2.254  -9.115
   95    HA   CYS  14           HA       CYS  14  11.229   3.420  -8.194
   96    HB2  CYS  14           HB2      CYS  14  12.664   1.604  -6.380
   97    HB3  CYS  14           HB3      CYS  14  10.978   1.593  -6.885
   98    H    ARG  15           H        ARG  15  13.836   4.882  -8.440
   99    HA   ARG  15           HA       ARG  15  14.188   5.645  -5.617
  100    HB2  ARG  15           HB2      ARG  15  16.127   6.498  -7.716
  101    HB3  ARG  15           HB3      ARG  15  16.402   6.134  -6.017
  102    HG2  ARG  15           HG2      ARG  15  15.577   3.726  -7.163
  103    HG3  ARG  15           HG3      ARG  15  16.697   4.446  -8.322
  104    HD2  ARG  15           HD2      ARG  15  17.513   4.556  -5.489
  105    HD3  ARG  15           HD3      ARG  15  17.466   2.950  -6.215
  106    HE   ARG  15           HE       ARG  15  18.826   4.701  -7.941
  107   HH11  ARG  15          HH11      ARG  15  19.208   3.139  -4.853
  108   HH12  ARG  15          HH12      ARG  15  20.938   3.094  -4.943
  109   HH21  ARG  15          HH21      ARG  15  21.102   4.647  -8.071
  110   HH22  ARG  15          HH22      ARG  15  22.014   3.953  -6.774
  111    H    LEU  16           H        LEU  16  13.003   6.657  -8.635
  112    HA   LEU  16           HA       LEU  16  13.366   9.474  -8.297
  113    HB2  LEU  16           HB2      LEU  16  11.343   9.342 -10.048
  114    HB3  LEU  16           HB3      LEU  16  13.034   9.120 -10.493
  115    HG   LEU  16           HG       LEU  16  12.754   6.714 -10.485
  116   HD11  LEU  16          HD11      LEU  16  10.156   7.408  -9.244
  117   HD12  LEU  16          HD12      LEU  16  11.240   6.054  -8.929
  118   HD13  LEU  16          HD13      LEU  16  10.189   6.031 -10.345
  119   HD21  LEU  16          HD21      LEU  16  10.370   7.366 -12.040
  120   HD22  LEU  16          HD22      LEU  16  11.921   6.707 -12.561
  121   HD23  LEU  16          HD23      LEU  16  11.730   8.447 -12.342
  122    H    TYR  17           H        TYR  17  10.903   7.149  -7.428
  123    HA   TYR  17           HA       TYR  17   8.853   9.018  -6.828
  124    HB2  TYR  17           HB2      TYR  17   7.613   7.209  -6.133
  125    HB3  TYR  17           HB3      TYR  17   8.794   6.396  -7.154
  126    HD1  TYR  17           HD1      TYR  17  11.100   5.917  -5.699
  127    HD2  TYR  17           HD2      TYR  17   7.122   6.074  -4.197
  128    HE1  TYR  17           HE1      TYR  17  11.765   4.496  -3.804
  129    HE2  TYR  17           HE2      TYR  17   7.776   4.654  -2.298
  130    HH   TYR  17           HH       TYR  17  10.536   4.245  -1.173
  131    H    GLU  18           H        GLU  18  11.473   7.589  -4.968
  132    HA   GLU  18           HA       GLU  18  10.667   8.370  -2.406
  133    HB2  GLU  18           HB2      GLU  18  12.953   7.188  -3.588
  134    HB3  GLU  18           HB3      GLU  18  13.518   8.555  -2.638
  135    HG2  GLU  18           HG2      GLU  18  11.829   6.269  -1.650
  136    HG3  GLU  18           HG3      GLU  18  13.538   6.537  -1.313
  137    H    LEU  19           H        LEU  19  12.273  10.141  -4.965
  138    HA   LEU  19           HA       LEU  19  13.229  12.328  -3.531
  139    HB2  LEU  19           HB2      LEU  19  12.313  11.931  -6.345
  140    HB3  LEU  19           HB3      LEU  19  12.698  13.555  -5.778
  141    HG   LEU  19           HG       LEU  19  14.949  12.364  -5.039
  142   HD11  LEU  19          HD11      LEU  19  13.635  10.333  -6.516
  143   HD12  LEU  19          HD12      LEU  19  15.251  10.311  -5.811
  144   HD13  LEU  19          HD13      LEU  19  15.017  10.888  -7.461
  145   HD21  LEU  19          HD21      LEU  19  14.741  14.276  -6.556
  146   HD22  LEU  19          HD22      LEU  19  14.339  13.180  -7.879
  147   HD23  LEU  19          HD23      LEU  19  15.937  13.115  -7.133
  148    H    LEU  20           H        LEU  20  10.069  11.902  -5.112
  149    HA   LEU  20           HA       LEU  20   9.066  14.390  -4.075
  150    HB2  LEU  20           HB2      LEU  20   7.348  12.209  -5.192
  151    HB3  LEU  20           HB3      LEU  20   7.117  13.955  -5.270
  152    HG   LEU  20           HG       LEU  20   9.514  13.026  -6.665
  153   HD11  LEU  20          HD11      LEU  20   6.824  11.916  -7.341
  154   HD12  LEU  20          HD12      LEU  20   8.400  11.126  -7.353
  155   HD13  LEU  20          HD13      LEU  20   7.982  12.277  -8.622
  156   HD21  LEU  20          HD21      LEU  20   8.047  15.273  -6.652
  157   HD22  LEU  20          HD22      LEU  20   7.314  14.449  -8.028
  158   HD23  LEU  20          HD23      LEU  20   9.047  14.776  -8.017
  159    H    HIS  21           H        HIS  21   8.575  10.950  -3.377
  160    HA   HIS  21           HA       HIS  21   6.612  11.289  -1.385
  161    HB2  HIS  21           HB2      HIS  21   8.291   9.113  -2.391
  162    HB3  HIS  21           HB3      HIS  21   7.948   8.982  -0.668
  163    HD1  HIS  21           HD1      HIS  21   5.624   8.258   0.004
  164    HD2  HIS  21           HD2      HIS  21   5.963   9.041  -4.062
  165    HE1  HIS  21           HE1      HIS  21   3.478   7.441  -1.019
  166    H    GLY  22           H        GLY  22   9.848  12.161  -1.392
  167    HA2  GLY  22           HA2      GLY  22  10.021  11.993   1.550
  168    HA3  GLY  22           HA3      GLY  22  11.404  12.096   0.470
  169    H    ALA  23           H        ALA  23  10.503  14.177  -1.195
  170    HA   ALA  23           HA       ALA  23  11.006  16.427   0.562
  171    HB1  ALA  23           HB1      ALA  23  11.875  17.446  -1.234
  172    HB2  ALA  23           HB2      ALA  23  11.819  15.844  -1.971
  173    HB3  ALA  23           HB3      ALA  23  10.518  16.998  -2.268
  174    H    GLY  24           H        GLY  24   8.296  14.822  -0.173
  175    HA2  GLY  24           HA2      GLY  24   6.450  16.506   0.844
  176    HA3  GLY  24           HA3      GLY  24   6.568  17.051  -0.823
  177    H    ASN  25           H        ASN  25   6.122  14.071   1.074
  178    HA   ASN  25           HA       ASN  25   5.024  12.540  -1.005
  179    HB2  ASN  25           HB2      ASN  25   5.801  11.409   0.947
  180    HB3  ASN  25           HB3      ASN  25   4.745  12.351   1.995
  181   HD21  ASN  25          HD21      ASN  25   3.093  11.247   2.723
  182   HD22  ASN  25          HD22      ASN  25   2.254   9.988   1.889
  183    H    HIS  26           H        HIS  26   3.600  14.863   1.185
  184    HA   HIS  26           HA       HIS  26   0.891  14.203   0.806
  185    HB2  HIS  26           HB2      HIS  26   2.132  15.905   2.443
  186    HB3  HIS  26           HB3      HIS  26   1.653  17.056   1.199
  187    HD1  HIS  26           HD1      HIS  26  -0.635  17.982   1.421
  188    HD2  HIS  26           HD2      HIS  26  -0.200  14.403   3.485
  189    HE1  HIS  26           HE1      HIS  26  -2.802  17.649   2.653
  190    H    ALA  27           H        ALA  27   3.158  15.994  -1.134
  191    HA   ALA  27           HA       ALA  27   1.433  17.474  -2.743
  192    HB1  ALA  27           HB1      ALA  27   3.253  17.348  -4.450
  193    HB2  ALA  27           HB2      ALA  27   3.784  17.868  -2.850
  194    HB3  ALA  27           HB3      ALA  27   4.092  16.217  -3.388
  195    H    ALA  28           H        ALA  28   2.366  14.087  -2.914
  196    HA   ALA  28           HA       ALA  28   0.947  13.679  -5.410
  197    HB1  ALA  28           HB1      ALA  28   2.885  12.206  -3.825
  198    HB2  ALA  28           HB2      ALA  28   1.581  11.181  -4.426
  199    HB3  ALA  28           HB3      ALA  28   2.546  12.133  -5.555
  200    H    GLY  29           H        GLY  29   0.455  13.165  -1.983
  201    HA2  GLY  29           HA2      GLY  29  -1.726  11.375  -2.158
  202    HA3  GLY  29           HA3      GLY  29  -1.351  12.406  -0.785
  203    H    ILE  30           H        ILE  30  -1.551  14.899  -2.170
  204    HA   ILE  30           HA       ILE  30  -4.451  15.120  -2.215
  205    HB   ILE  30           HB       ILE  30  -2.409  17.330  -2.452
  206   HG12  ILE  30          HG12      ILE  30  -2.067  16.153  -0.353
  207   HG13  ILE  30          HG13      ILE  30  -2.834  17.705  -0.037
  208   HG21  ILE  30          HG21      ILE  30  -4.166  18.634  -2.815
  209   HG22  ILE  30          HG22      ILE  30  -5.256  17.257  -2.659
  210   HG23  ILE  30          HG23      ILE  30  -4.798  18.185  -1.231
  211   HD11  ILE  30          HD11      ILE  30  -4.992  16.075  -0.282
  212   HD12  ILE  30          HD12      ILE  30  -3.802  14.993   0.445
  213   HD13  ILE  30          HD13      ILE  30  -4.217  16.511   1.241
  214    H    LEU  31           H        LEU  31  -1.693  15.611  -4.357
  215    HA   LEU  31           HA       LEU  31  -2.954  16.848  -6.496
  216    HB2  LEU  31           HB2      LEU  31  -0.594  15.048  -6.233
  217    HB3  LEU  31           HB3      LEU  31  -1.189  15.440  -7.845
  218    HG   LEU  31           HG       LEU  31  -0.425  17.547  -5.834
  219   HD11  LEU  31          HD11      LEU  31   1.370  15.765  -6.744
  220   HD12  LEU  31          HD12      LEU  31   1.751  17.454  -6.413
  221   HD13  LEU  31          HD13      LEU  31   1.405  16.936  -8.063
  222   HD21  LEU  31          HD21      LEU  31  -1.176  17.487  -8.718
  223   HD22  LEU  31          HD22      LEU  31  -0.041  18.713  -8.152
  224   HD23  LEU  31          HD23      LEU  31  -1.656  18.615  -7.449
  225    H    THR  32           H        THR  32  -2.848  13.447  -5.601
  226    HA   THR  32           HA       THR  32  -4.401  12.715  -7.965
  227    HB   THR  32           HB       THR  32  -2.556  11.234  -7.417
  228    HG1  THR  32           HG1      THR  32  -3.853   9.265  -7.157
  229   HG21  THR  32          HG21      THR  32  -2.039  10.549  -5.347
  230   HG22  THR  32          HG22      THR  32  -3.704  10.085  -4.997
  231   HG23  THR  32          HG23      THR  32  -3.192  11.759  -4.786
  232    H    LEU  33           H        LEU  33  -4.675  12.903  -4.464
  233    HA   LEU  33           HA       LEU  33  -7.522  13.067  -4.607
  234    HB2  LEU  33           HB2      LEU  33  -6.978  10.580  -4.778
  235    HB3  LEU  33           HB3      LEU  33  -6.451  10.699  -3.101
  236    HG   LEU  33           HG       LEU  33  -8.723  11.400  -2.459
  237   HD11  LEU  33          HD11      LEU  33  -9.064  11.429  -5.377
  238   HD12  LEU  33          HD12      LEU  33  -9.891  12.353  -4.124
  239   HD13  LEU  33          HD13      LEU  33 -10.387  10.697  -4.468
  240   HD21  LEU  33          HD21      LEU  33  -7.843   8.849  -3.211
  241   HD22  LEU  33          HD22      LEU  33  -9.494   8.989  -3.818
  242   HD23  LEU  33          HD23      LEU  33  -9.158   9.252  -2.106
  243    HN1  NH2  34           HN1      NH2  34  -6.936  15.008  -1.865
  244    HN2  NH2  34           HN2      NH2  34  -6.627  15.069  -3.564
  Start of MODEL   24
    1    H1   PCA   1           H1       PCA   1   6.727  -0.263   4.453
    2    HA   PCA   1           HA       PCA   1   4.890   1.673   4.192
    3    HB2  PCA   1           HB2      PCA   1   5.979   3.719   3.627
    4    HB3  PCA   1           HB3      PCA   1   7.469   2.894   3.132
    5    HG2  PCA   1           HG2      PCA   1   6.342   3.128   5.971
    6    HG3  PCA   1           HG3      PCA   1   8.005   3.436   5.433
    7    HA   PRO   2           HA       PRO   2   4.172  -0.260   0.400
    8    HB2  PRO   2           HB2      PRO   2   2.969   1.717  -1.018
    9    HB3  PRO   2           HB3      PRO   2   2.185   0.890   0.334
   10    HG2  PRO   2           HG2      PRO   2   3.571   3.543   0.283
   11    HG3  PRO   2           HG3      PRO   2   2.048   3.092   1.071
   12    HD2  PRO   2           HD2      PRO   2   4.383   3.297   2.426
   13    HD3  PRO   2           HD3      PRO   2   3.118   2.135   2.874
   14    H    LEU   3           H        LEU   3   5.317  -0.736  -1.378
   15    HA   LEU   3           HA       LEU   3   7.516   0.965  -2.141
   16    HB2  LEU   3           HB2      LEU   3   8.428  -0.926  -2.857
   17    HB3  LEU   3           HB3      LEU   3   7.021  -1.757  -2.197
   18    HG   LEU   3           HG       LEU   3   7.189  -0.761  -5.037
   19   HD11  LEU   3          HD11      LEU   3   7.590  -3.592  -4.104
   20   HD12  LEU   3          HD12      LEU   3   8.923  -2.491  -4.449
   21   HD13  LEU   3          HD13      LEU   3   7.797  -2.940  -5.730
   22   HD21  LEU   3          HD21      LEU   3   4.934  -1.112  -4.032
   23   HD22  LEU   3          HD22      LEU   3   5.365  -2.803  -3.776
   24   HD23  LEU   3          HD23      LEU   3   5.279  -2.153  -5.414
   25    HA   PRO   4           HA       PRO   4   5.883   2.927  -5.710
   26    HB2  PRO   4           HB2      PRO   4   7.823   2.596  -7.581
   27    HB3  PRO   4           HB3      PRO   4   8.001   3.676  -6.193
   28    HG2  PRO   4           HG2      PRO   4   9.039   0.894  -6.574
   29    HG3  PRO   4           HG3      PRO   4   9.856   2.308  -5.884
   30    HD2  PRO   4           HD2      PRO   4   8.773   0.359  -4.349
   31    HD3  PRO   4           HD3      PRO   4   8.832   2.057  -3.834
   32    H    ASP   5           H        ASP   5   4.882   2.634  -7.738
   33    HA   ASP   5           HA       ASP   5   4.231  -0.141  -8.326
   34    HB2  ASP   5           HB2      ASP   5   3.017   2.023  -9.938
   35    HB3  ASP   5           HB3      ASP   5   2.265   0.622  -9.179
   36    H    CYS   6           H        CYS   6   5.481   2.719 -10.020
   37    HA   CYS   6           HA       CYS   6   5.815   1.572 -12.540
   38    HB2  CYS   6           HB2      CYS   6   6.787   3.539 -13.094
   39    HB3  CYS   6           HB3      CYS   6   6.241   4.043 -11.498
   40    H    CYS   7           H        CYS   7   7.378   0.824  -9.653
   41    HA   CYS   7           HA       CYS   7   9.862  -0.053 -10.873
   42    HB2  CYS   7           HB2      CYS   7   9.822   0.936  -8.591
   43    HB3  CYS   7           HB3      CYS   7   8.871  -0.439  -8.040
   44    H    ARG   8           H        ARG   8   6.798  -1.371  -9.928
   45    HA   ARG   8           HA       ARG   8   7.673  -4.115  -9.960
   46    HB2  ARG   8           HB2      ARG   8   5.858  -3.772  -8.534
   47    HB3  ARG   8           HB3      ARG   8   5.023  -2.740  -9.687
   48    HG2  ARG   8           HG2      ARG   8   4.246  -4.536 -10.929
   49    HG3  ARG   8           HG3      ARG   8   5.472  -5.633 -10.290
   50    HD2  ARG   8           HD2      ARG   8   3.748  -6.357  -9.021
   51    HD3  ARG   8           HD3      ARG   8   4.210  -4.988  -8.011
   52    HE   ARG   8           HE       ARG   8   2.384  -4.053  -9.885
   53   HH11  ARG   8          HH11      ARG   8   2.468  -6.306  -7.232
   54   HH12  ARG   8          HH12      ARG   8   0.794  -6.101  -6.834
   55   HH21  ARG   8          HH21      ARG   8   0.179  -3.774  -9.371
   56   HH22  ARG   8          HH22      ARG   8  -0.507  -4.661  -8.052
   57    H    GLN   9           H        GLN   9   6.086  -1.891 -12.174
   58    HA   GLN   9           HA       GLN   9   5.801  -3.988 -14.183
   59    HB2  GLN   9           HB2      GLN   9   4.987  -1.079 -14.289
   60    HB3  GLN   9           HB3      GLN   9   4.587  -2.306 -15.483
   61    HG2  GLN   9           HG2      GLN   9   3.704  -3.353 -13.063
   62    HG3  GLN   9           HG3      GLN   9   3.272  -1.645 -13.008
   63   HE21  GLN   9          HE21      GLN   9   2.102  -4.550 -13.761
   64   HE22  GLN   9          HE22      GLN   9   0.973  -4.130 -14.999
   65    H    LYS  10           H        LYS  10   8.126  -1.832 -13.198
   66    HA   LYS  10           HA       LYS  10  10.103  -1.141 -14.084
   67    HB2  LYS  10           HB2      LYS  10   9.540  -2.896 -16.468
   68    HB3  LYS  10           HB3      LYS  10  11.102  -2.414 -15.819
   69    HG2  LYS  10           HG2      LYS  10   9.694  -3.775 -13.770
   70    HG3  LYS  10           HG3      LYS  10   9.582  -4.736 -15.246
   71    HD2  LYS  10           HD2      LYS  10  11.555  -5.490 -14.275
   72    HD3  LYS  10           HD3      LYS  10  12.120  -4.300 -15.449
   73    HE2  LYS  10           HE2      LYS  10  11.717  -2.755 -13.240
   74    HE3  LYS  10           HE3      LYS  10  12.245  -4.274 -12.519
   75    HZ1  LYS  10           HZ1      LYS  10  13.802  -3.372 -14.789
   76    HZ2  LYS  10           HZ2      LYS  10  14.313  -4.033 -13.319
   77    HZ3  LYS  10           HZ3      LYS  10  13.910  -2.393 -13.414
   78    H    THR  11           H        THR  11   7.925   0.496 -14.505
   79    HA   THR  11           HA       THR  11   8.102   1.388 -17.288
   80    HB   THR  11           HB       THR  11   6.036   2.264 -17.079
   81    HG1  THR  11           HG1      THR  11   5.543   3.704 -15.546
   82   HG21  THR  11          HG21      THR  11   6.168  -0.051 -15.738
   83   HG22  THR  11          HG22      THR  11   4.668   0.856 -15.929
   84   HG23  THR  11          HG23      THR  11   5.599   0.994 -14.438
   85    H    CYS  12           H        CYS  12   9.466   2.041 -14.280
   86    HA   CYS  12           HA       CYS  12  11.062   4.146 -15.214
   87    HB2  CYS  12           HB2      CYS  12  10.096   6.082 -14.470
   88    HB3  CYS  12           HB3      CYS  12   8.631   5.166 -14.809
   89    H    SER  13           H        SER  13  12.127   5.333 -13.245
   90    HA   SER  13           HA       SER  13  13.384   3.385 -11.677
   91    HB2  SER  13           HB2      SER  13  13.307   6.372 -11.662
   92    HB3  SER  13           HB3      SER  13  14.005   5.545 -10.270
   93    HG   SER  13           HG       SER  13  14.812   5.376 -12.980
   94    H    CYS  14           H        CYS  14  13.263   2.899  -9.467
   95    HA   CYS  14           HA       CYS  14  10.586   3.116  -8.368
   96    HB2  CYS  14           HB2      CYS  14  12.753   1.793  -6.827
   97    HB3  CYS  14           HB3      CYS  14  11.091   1.281  -7.100
   98    H    ARG  15           H        ARG  15  13.802   3.461  -6.865
   99    HA   ARG  15           HA       ARG  15  13.169   4.784  -4.601
  100    HB2  ARG  15           HB2      ARG  15  15.422   4.433  -4.711
  101    HB3  ARG  15           HB3      ARG  15  15.518   4.880  -6.409
  102    HG2  ARG  15           HG2      ARG  15  15.552   7.183  -5.904
  103    HG3  ARG  15           HG3      ARG  15  15.065   6.897  -4.232
  104    HD2  ARG  15           HD2      ARG  15  17.159   6.359  -3.574
  105    HD3  ARG  15           HD3      ARG  15  17.542   5.554  -5.096
  106    HE   ARG  15           HE       ARG  15  18.114   8.261  -4.395
  107   HH11  ARG  15          HH11      ARG  15  17.361   6.148  -7.057
  108   HH12  ARG  15          HH12      ARG  15  18.144   7.144  -8.239
  109   HH21  ARG  15          HH21      ARG  15  19.148   9.581  -5.941
  110   HH22  ARG  15          HH22      ARG  15  19.161   9.096  -7.603
  111    H    LEU  16           H        LEU  16  12.836   6.001  -7.801
  112    HA   LEU  16           HA       LEU  16  12.957   8.745  -7.441
  113    HB2  LEU  16           HB2      LEU  16  12.273   8.794  -9.555
  114    HB3  LEU  16           HB3      LEU  16  12.234   7.034  -9.475
  115    HG   LEU  16           HG       LEU  16   9.851   8.760  -8.830
  116   HD11  LEU  16          HD11      LEU  16  10.420   7.386 -11.448
  117   HD12  LEU  16          HD12      LEU  16  10.675   9.108 -11.165
  118   HD13  LEU  16          HD13      LEU  16   9.053   8.427 -11.049
  119   HD21  LEU  16          HD21      LEU  16   8.900   6.841  -8.259
  120   HD22  LEU  16          HD22      LEU  16  10.418   5.996  -8.561
  121   HD23  LEU  16          HD23      LEU  16   9.239   6.182  -9.860
  122    H    TYR  17           H        TYR  17  10.305   6.513  -6.773
  123    HA   TYR  17           HA       TYR  17   8.380   8.493  -6.140
  124    HB2  TYR  17           HB2      TYR  17   6.977   6.750  -5.747
  125    HB3  TYR  17           HB3      TYR  17   8.242   5.833  -6.557
  126    HD1  TYR  17           HD1      TYR  17  10.210   5.101  -4.834
  127    HD2  TYR  17           HD2      TYR  17   6.144   5.827  -3.813
  128    HE1  TYR  17           HE1      TYR  17  10.464   3.683  -2.841
  129    HE2  TYR  17           HE2      TYR  17   6.386   4.412  -1.816
  130    HH   TYR  17           HH       TYR  17   9.411   3.372  -0.658
  131    H    GLU  18           H        GLU  18  10.796   6.771  -4.252
  132    HA   GLU  18           HA       GLU  18   9.926   7.456  -1.685
  133    HB2  GLU  18           HB2      GLU  18  12.081   6.082  -2.768
  134    HB3  GLU  18           HB3      GLU  18  12.827   7.445  -1.946
  135    HG2  GLU  18           HG2      GLU  18  10.768   5.820  -0.530
  136    HG3  GLU  18           HG3      GLU  18  12.416   5.211  -0.683
  137    H    LEU  19           H        LEU  19  11.757   9.264  -4.060
  138    HA   LEU  19           HA       LEU  19  12.781  11.294  -2.449
  139    HB2  LEU  19           HB2      LEU  19  11.972  11.146  -5.323
  140    HB3  LEU  19           HB3      LEU  19  12.478  12.684  -4.627
  141    HG   LEU  19           HG       LEU  19  14.398  11.838  -5.654
  142   HD11  LEU  19          HD11      LEU  19  14.542  12.477  -3.149
  143   HD12  LEU  19          HD12      LEU  19  15.921  11.693  -3.919
  144   HD13  LEU  19          HD13      LEU  19  14.829  10.755  -2.900
  145   HD21  LEU  19          HD21      LEU  19  13.217   9.425  -5.587
  146   HD22  LEU  19          HD22      LEU  19  14.426   9.206  -4.321
  147   HD23  LEU  19          HD23      LEU  19  14.927   9.663  -5.950
  148    H    LEU  20           H        LEU  20   9.702  11.204  -4.237
  149    HA   LEU  20           HA       LEU  20   8.804  13.677  -3.084
  150    HB2  LEU  20           HB2      LEU  20   7.260  11.594  -4.621
  151    HB3  LEU  20           HB3      LEU  20   6.719  13.232  -4.261
  152    HG   LEU  20           HG       LEU  20   8.702  14.033  -5.630
  153   HD11  LEU  20          HD11      LEU  20  10.145  12.263  -5.877
  154   HD12  LEU  20          HD12      LEU  20   9.269  12.202  -7.406
  155   HD13  LEU  20          HD13      LEU  20   8.845  11.092  -6.104
  156   HD21  LEU  20          HD21      LEU  20   7.482  13.234  -7.819
  157   HD22  LEU  20          HD22      LEU  20   6.711  14.367  -6.708
  158   HD23  LEU  20          HD23      LEU  20   6.275  12.657  -6.670
  159    H    HIS  21           H        HIS  21   7.995  10.247  -2.673
  160    HA   HIS  21           HA       HIS  21   5.978  10.627  -0.739
  161    HB2  HIS  21           HB2      HIS  21   7.543   8.357  -1.787
  162    HB3  HIS  21           HB3      HIS  21   6.939   8.150  -0.146
  163    HD1  HIS  21           HD1      HIS  21   4.648   7.235   0.009
  164    HD2  HIS  21           HD2      HIS  21   5.320   9.111  -3.637
  165    HE1  HIS  21           HE1      HIS  21   2.556   6.862  -1.335
  166    H    GLY  22           H        GLY  22   9.244  11.238  -0.544
  167    HA2  GLY  22           HA2      GLY  22   9.266  10.809   2.379
  168    HA3  GLY  22           HA3      GLY  22  10.706  10.815   1.372
  169    H    ALA  23           H        ALA  23  10.180  13.086  -0.177
  170    HA   ALA  23           HA       ALA  23  10.796  15.146   1.773
  171    HB1  ALA  23           HB1      ALA  23  10.647  15.785  -1.117
  172    HB2  ALA  23           HB2      ALA  23  11.834  16.271   0.094
  173    HB3  ALA  23           HB3      ALA  23  11.893  14.650  -0.598
  174    H    GLY  24           H        GLY  24   7.996  13.936   0.721
  175    HA2  GLY  24           HA2      GLY  24   6.260  15.743   1.680
  176    HA3  GLY  24           HA3      GLY  24   6.623  16.417   0.098
  177    H    ASN  25           H        ASN  25   5.422  13.514   1.730
  178    HA   ASN  25           HA       ASN  25   4.508  12.174  -0.561
  179    HB2  ASN  25           HB2      ASN  25   3.489  10.672   0.888
  180    HB3  ASN  25           HB3      ASN  25   4.743  11.363   1.914
  181   HD21  ASN  25          HD21      ASN  25   1.551  10.570   1.740
  182   HD22  ASN  25          HD22      ASN  25   0.941  11.566   3.013
  183    H    HIS  26           H        HIS  26   3.182  14.809   1.263
  184    HA   HIS  26           HA       HIS  26   0.486  14.606   0.483
  185    HB2  HIS  26           HB2      HIS  26   2.206  16.612   1.739
  186    HB3  HIS  26           HB3      HIS  26   0.932  17.317   0.749
  187    HD1  HIS  26           HD1      HIS  26   1.527  15.506   3.928
  188    HD2  HIS  26           HD2      HIS  26  -1.706  16.792   1.658
  189    HE1  HIS  26           HE1      HIS  26  -0.473  15.322   5.442
  190    H    ALA  27           H        ALA  27   3.313  15.807  -1.154
  191    HA   ALA  27           HA       ALA  27   2.155  17.430  -3.098
  192    HB1  ALA  27           HB1      ALA  27   4.499  15.630  -3.638
  193    HB2  ALA  27           HB2      ALA  27   4.163  17.229  -4.303
  194    HB3  ALA  27           HB3      ALA  27   4.622  17.058  -2.609
  195    H    ALA  28           H        ALA  28   2.458  13.929  -2.936
  196    HA   ALA  28           HA       ALA  28   1.380  13.574  -5.604
  197    HB1  ALA  28           HB1      ALA  28   2.269  11.532  -5.503
  198    HB2  ALA  28           HB2      ALA  28   3.031  12.057  -4.001
  199    HB3  ALA  28           HB3      ALA  28   1.499  11.185  -3.955
  200    H    GLY  29           H        GLY  29   0.291  13.438  -2.281
  201    HA2  GLY  29           HA2      GLY  29  -2.134  12.050  -2.716
  202    HA3  GLY  29           HA3      GLY  29  -1.783  13.103  -1.354
  203    H    ILE  30           H        ILE  30  -1.307  15.476  -2.868
  204    HA   ILE  30           HA       ILE  30  -4.073  16.204  -3.391
  205    HB   ILE  30           HB       ILE  30  -1.595  17.930  -3.316
  206   HG12  ILE  30          HG12      ILE  30  -2.031  17.021  -1.128
  207   HG13  ILE  30          HG13      ILE  30  -2.563  18.699  -1.137
  208   HG21  ILE  30          HG21      ILE  30  -4.491  18.535  -3.742
  209   HG22  ILE  30          HG22      ILE  30  -3.437  19.723  -2.977
  210   HG23  ILE  30          HG23      ILE  30  -3.080  19.147  -4.605
  211   HD11  ILE  30          HD11      ILE  30  -4.281  17.633  -0.042
  212   HD12  ILE  30          HD12      ILE  30  -4.881  17.690  -1.700
  213   HD13  ILE  30          HD13      ILE  30  -4.185  16.200  -1.064
  214    H    LEU  31           H        LEU  31  -0.984  16.041  -5.090
  215    HA   LEU  31           HA       LEU  31  -1.676  17.296  -7.466
  216    HB2  LEU  31           HB2      LEU  31   0.257  15.142  -6.745
  217    HB3  LEU  31           HB3      LEU  31  -0.006  15.526  -8.445
  218    HG   LEU  31           HG       LEU  31   0.815  17.591  -6.414
  219   HD11  LEU  31          HD11      LEU  31   2.883  16.715  -8.248
  220   HD12  LEU  31          HD12      LEU  31   2.360  15.427  -7.164
  221   HD13  LEU  31          HD13      LEU  31   2.945  16.953  -6.501
  222   HD21  LEU  31          HD21      LEU  31   1.220  17.594  -9.391
  223   HD22  LEU  31          HD22      LEU  31   1.322  18.947  -8.265
  224   HD23  LEU  31          HD23      LEU  31  -0.244  18.227  -8.640
  225    H    THR  32           H        THR  32  -2.319  14.014  -6.378
  226    HA   THR  32           HA       THR  32  -3.587  13.344  -8.921
  227    HB   THR  32           HB       THR  32  -2.166  11.628  -7.948
  228    HG1  THR  32           HG1      THR  32  -3.761   9.939  -7.916
  229   HG21  THR  32          HG21      THR  32  -3.928  10.955  -5.713
  230   HG22  THR  32          HG22      THR  32  -3.104  12.503  -5.520
  231   HG23  THR  32          HG23      THR  32  -2.168  11.032  -5.784
  232    H    LEU  33           H        LEU  33  -4.389  13.902  -5.540
  233    HA   LEU  33           HA       LEU  33  -7.108  13.109  -5.720
  234    HB2  LEU  33           HB2      LEU  33  -5.991  13.208  -3.588
  235    HB3  LEU  33           HB3      LEU  33  -5.686  14.933  -3.788
  236    HG   LEU  33           HG       LEU  33  -8.522  14.138  -3.845
  237   HD11  LEU  33          HD11      LEU  33  -8.314  12.770  -2.069
  238   HD12  LEU  33          HD12      LEU  33  -8.218  14.285  -1.174
  239   HD13  LEU  33          HD13      LEU  33  -6.742  13.425  -1.610
  240   HD21  LEU  33          HD21      LEU  33  -8.717  16.142  -2.445
  241   HD22  LEU  33          HD22      LEU  33  -7.821  16.465  -3.930
  242   HD23  LEU  33          HD23      LEU  33  -6.959  16.277  -2.402
  243    HN1  NH2  34           HN1      NH2  34  -6.717  16.942  -6.956
  244    HN2  NH2  34           HN2      NH2  34  -5.517  15.705  -7.073
  Start of MODEL   25
    1    H1   PCA   1           H1       PCA   1   2.310   3.560   3.701
    2    HA   PCA   1           HA       PCA   1   4.860   4.348   3.447
    3    HB2  PCA   1           HB2      PCA   1   6.274   2.827   4.620
    4    HB3  PCA   1           HB3      PCA   1   5.019   1.576   4.691
    5    HG2  PCA   1           HG2      PCA   1   5.033   4.265   6.158
    6    HG3  PCA   1           HG3      PCA   1   4.687   2.661   6.833
    7    HA   PRO   2           HA       PRO   2   2.739   2.162  -0.001
    8    HB2  PRO   2           HB2      PRO   2   2.573   4.372  -1.569
    9    HB3  PRO   2           HB3      PRO   2   1.343   3.949  -0.372
   10    HG2  PRO   2           HG2      PRO   2   3.591   5.915  -0.165
   11    HG3  PRO   2           HG3      PRO   2   1.906   6.083   0.361
   12    HD2  PRO   2           HD2      PRO   2   3.916   5.492   2.077
   13    HD3  PRO   2           HD3      PRO   2   2.261   4.890   2.301
   14    H    LEU   3           H        LEU   3   3.902   1.210  -1.560
   15    HA   LEU   3           HA       LEU   3   6.622   2.134  -2.032
   16    HB2  LEU   3           HB2      LEU   3   7.108  -0.013  -2.309
   17    HB3  LEU   3           HB3      LEU   3   5.457  -0.365  -1.801
   18    HG   LEU   3           HG       LEU   3   6.266   0.045  -4.675
   19   HD11  LEU   3          HD11      LEU   3   6.419  -2.286  -4.946
   20   HD12  LEU   3          HD12      LEU   3   5.762  -2.599  -3.340
   21   HD13  LEU   3          HD13      LEU   3   7.379  -1.916  -3.514
   22   HD21  LEU   3          HD21      LEU   3   3.977   0.388  -4.548
   23   HD22  LEU   3          HD22      LEU   3   3.765  -0.804  -3.265
   24   HD23  LEU   3          HD23      LEU   3   4.092  -1.333  -4.916
   25    HA   PRO   4           HA       PRO   4   6.055   3.758  -6.069
   26    HB2  PRO   4           HB2      PRO   4   8.082   2.661  -7.504
   27    HB3  PRO   4           HB3      PRO   4   8.340   3.898  -6.268
   28    HG2  PRO   4           HG2      PRO   4   8.670   0.929  -6.074
   29    HG3  PRO   4           HG3      PRO   4   9.721   2.215  -5.451
   30    HD2  PRO   4           HD2      PRO   4   7.972   0.872  -3.878
   31    HD3  PRO   4           HD3      PRO   4   8.395   2.574  -3.600
   32    H    ASP   5           H        ASP   5   5.298   3.351  -8.180
   33    HA   ASP   5           HA       ASP   5   4.064   0.730  -8.492
   34    HB2  ASP   5           HB2      ASP   5   3.611   2.800 -10.553
   35    HB3  ASP   5           HB3      ASP   5   2.456   1.760  -9.724
   36    H    CYS   6           H        CYS   6   6.162   2.936 -10.323
   37    HA   CYS   6           HA       CYS   6   6.529   1.336 -12.580
   38    HB2  CYS   6           HB2      CYS   6   7.957   2.957 -13.239
   39    HB3  CYS   6           HB3      CYS   6   7.398   3.804 -11.801
   40    H    CYS   7           H        CYS   7   7.574   0.843  -9.395
   41    HA   CYS   7           HA       CYS   7   9.896  -0.744 -10.078
   42    HB2  CYS   7           HB2      CYS   7   9.575   0.677  -7.949
   43    HB3  CYS   7           HB3      CYS   7   8.577  -0.655  -7.375
   44    H    ARG   8           H        ARG   8   6.522  -1.224  -9.441
   45    HA   ARG   8           HA       ARG   8   6.748  -4.052  -8.943
   46    HB2  ARG   8           HB2      ARG   8   4.560  -2.061  -9.093
   47    HB3  ARG   8           HB3      ARG   8   4.131  -3.716  -9.505
   48    HG2  ARG   8           HG2      ARG   8   5.169  -4.407  -7.316
   49    HG3  ARG   8           HG3      ARG   8   5.254  -2.690  -6.916
   50    HD2  ARG   8           HD2      ARG   8   2.733  -4.175  -7.647
   51    HD3  ARG   8           HD3      ARG   8   3.245  -3.807  -6.001
   52    HE   ARG   8           HE       ARG   8   3.219  -1.381  -7.201
   53   HH11  ARG   8          HH11      ARG   8   0.885  -3.951  -6.935
   54   HH12  ARG   8          HH12      ARG   8  -0.483  -2.891  -6.993
   55   HH21  ARG   8          HH21      ARG   8   1.425   0.025  -7.278
   56   HH22  ARG   8          HH22      ARG   8  -0.175  -0.629  -7.189
   57    H    GLN   9           H        GLN   9   6.099  -1.971 -11.685
   58    HA   GLN   9           HA       GLN   9   5.570  -4.288 -13.391
   59    HB2  GLN   9           HB2      GLN   9   5.408  -1.332 -14.006
   60    HB3  GLN   9           HB3      GLN   9   4.954  -2.629 -15.103
   61    HG2  GLN   9           HG2      GLN   9   3.526  -3.115 -12.756
   62    HG3  GLN   9           HG3      GLN   9   3.428  -1.374 -13.019
   63   HE21  GLN   9          HE21      GLN   9   2.166  -0.598 -14.615
   64   HE22  GLN   9          HE22      GLN   9   1.222  -1.581 -15.677
   65    H    LYS  10           H        LYS  10   8.162  -2.488 -12.362
   66    HA   LYS  10           HA       LYS  10  10.325  -2.286 -13.035
   67    HB2  LYS  10           HB2      LYS  10   9.400  -4.706 -14.530
   68    HB3  LYS  10           HB3      LYS  10  10.985  -4.035 -14.888
   69    HG2  LYS  10           HG2      LYS  10  11.425  -4.176 -12.381
   70    HG3  LYS  10           HG3      LYS  10   9.988  -5.199 -12.311
   71    HD2  LYS  10           HD2      LYS  10  10.991  -6.758 -13.878
   72    HD3  LYS  10           HD3      LYS  10  12.404  -5.714 -14.046
   73    HE2  LYS  10           HE2      LYS  10  11.726  -6.479 -11.288
   74    HE3  LYS  10           HE3      LYS  10  12.233  -7.807 -12.331
   75    HZ1  LYS  10           HZ1      LYS  10  14.079  -6.725 -11.124
   76    HZ2  LYS  10           HZ2      LYS  10  13.771  -5.294 -11.971
   77    HZ3  LYS  10           HZ3      LYS  10  14.269  -6.679 -12.804
   78    H    THR  11           H        THR  11   8.590  -0.470 -14.160
   79    HA   THR  11           HA       THR  11   9.347  -0.293 -16.988
   80    HB   THR  11           HB       THR  11   7.440   0.835 -17.377
   81    HG1  THR  11           HG1      THR  11   7.240   2.148 -14.914
   82   HG21  THR  11          HG21      THR  11   6.417   0.343 -14.633
   83   HG22  THR  11          HG22      THR  11   6.952  -1.056 -15.565
   84   HG23  THR  11          HG23      THR  11   5.680  -0.009 -16.195
   85    H    CYS  12           H        CYS  12  10.292   0.848 -13.969
   86    HA   CYS  12           HA       CYS  12  12.278   2.555 -15.062
   87    HB2  CYS  12           HB2      CYS  12  11.460   4.646 -14.758
   88    HB3  CYS  12           HB3      CYS  12   9.899   3.845 -14.901
   89    H    SER  13           H        SER  13  13.335   3.874 -13.174
   90    HA   SER  13           HA       SER  13  14.117   1.980 -11.213
   91    HB2  SER  13           HB2      SER  13  14.656   4.949 -11.442
   92    HB3  SER  13           HB3      SER  13  15.416   3.897 -10.248
   93    HG   SER  13           HG       SER  13  16.461   2.820 -11.856
   94    H    CYS  14           H        CYS  14  13.818   2.014  -8.964
   95    HA   CYS  14           HA       CYS  14  11.281   3.221  -8.143
   96    HB2  CYS  14           HB2      CYS  14  12.659   1.440  -6.248
   97    HB3  CYS  14           HB3      CYS  14  10.982   1.436  -6.785
   98    H    ARG  15           H        ARG  15  13.918   4.644  -8.359
   99    HA   ARG  15           HA       ARG  15  14.198   5.486  -5.551
  100    HB2  ARG  15           HB2      ARG  15  16.205   6.259  -7.617
  101    HB3  ARG  15           HB3      ARG  15  16.428   5.938  -5.902
  102    HG2  ARG  15           HG2      ARG  15  15.607   3.509  -7.004
  103    HG3  ARG  15           HG3      ARG  15  16.765   4.183  -8.152
  104    HD2  ARG  15           HD2      ARG  15  18.444   4.361  -6.476
  105    HD3  ARG  15           HD3      ARG  15  17.289   4.002  -5.193
  106    HE   ARG  15           HE       ARG  15  17.589   1.777  -5.608
  107   HH11  ARG  15          HH11      ARG  15  18.730   3.596  -8.349
  108   HH12  ARG  15          HH12      ARG  15  19.393   2.213  -9.155
  109   HH21  ARG  15          HH21      ARG  15  18.459  -0.051  -6.660
  110   HH22  ARG  15          HH22      ARG  15  19.238   0.139  -8.194
  111    H    LEU  16           H        LEU  16  13.109   6.423  -8.629
  112    HA   LEU  16           HA       LEU  16  13.496   9.245  -8.361
  113    HB2  LEU  16           HB2      LEU  16  11.520   9.085 -10.163
  114    HB3  LEU  16           HB3      LEU  16  13.220   8.831 -10.555
  115    HG   LEU  16           HG       LEU  16  12.911   6.430 -10.486
  116   HD11  LEU  16          HD11      LEU  16  10.335   5.780 -10.397
  117   HD12  LEU  16          HD12      LEU  16  10.289   7.188  -9.336
  118   HD13  LEU  16          HD13      LEU  16  11.348   5.832  -8.954
  119   HD21  LEU  16          HD21      LEU  16  10.581   7.046 -12.126
  120   HD22  LEU  16          HD22      LEU  16  12.148   6.381 -12.585
  121   HD23  LEU  16          HD23      LEU  16  11.945   8.125 -12.415
  122    H    TYR  17           H        TYR  17  10.982   6.974  -7.496
  123    HA   TYR  17           HA       TYR  17   8.940   8.884  -7.006
  124    HB2  TYR  17           HB2      TYR  17   7.658   7.110  -6.296
  125    HB3  TYR  17           HB3      TYR  17   8.857   6.254  -7.260
  126    HD1  TYR  17           HD1      TYR  17  11.116   5.790  -5.726
  127    HD2  TYR  17           HD2      TYR  17   7.099   6.033  -4.345
  128    HE1  TYR  17           HE1      TYR  17  11.710   4.417  -3.774
  129    HE2  TYR  17           HE2      TYR  17   7.682   4.661  -2.389
  130    HH   TYR  17           HH       TYR  17   9.362   3.749  -1.214
  131    H    GLU  18           H        GLU  18  11.491   7.478  -5.035
  132    HA   GLU  18           HA       GLU  18  10.624   8.339  -2.518
  133    HB2  GLU  18           HB2      GLU  18  12.930   7.103  -3.607
  134    HB3  GLU  18           HB3      GLU  18  13.481   8.485  -2.671
  135    HG2  GLU  18           HG2      GLU  18  11.635   6.353  -1.626
  136    HG3  GLU  18           HG3      GLU  18  13.381   6.373  -1.387
  137    H    LEU  19           H        LEU  19  12.321  10.020  -5.080
  138    HA   LEU  19           HA       LEU  19  13.263  12.235  -3.681
  139    HB2  LEU  19           HB2      LEU  19  12.421  11.770  -6.508
  140    HB3  LEU  19           HB3      LEU  19  12.811  13.404  -5.975
  141    HG   LEU  19           HG       LEU  19  15.025  12.205  -5.139
  142   HD11  LEU  19          HD11      LEU  19  13.727  10.152  -6.600
  143   HD12  LEU  19          HD12      LEU  19  15.323  10.130  -5.851
  144   HD13  LEU  19          HD13      LEU  19  15.140  10.667  -7.521
  145   HD21  LEU  19          HD21      LEU  19  14.759  14.077  -6.781
  146   HD22  LEU  19          HD22      LEU  19  14.611  12.861  -8.051
  147   HD23  LEU  19          HD23      LEU  19  16.103  12.985  -7.117
  148    H    LEU  20           H        LEU  20  10.144  11.800  -5.340
  149    HA   LEU  20           HA       LEU  20   9.141  14.327  -4.402
  150    HB2  LEU  20           HB2      LEU  20   7.424  12.138  -5.500
  151    HB3  LEU  20           HB3      LEU  20   7.226  13.883  -5.643
  152    HG   LEU  20           HG       LEU  20   9.656  12.976  -6.934
  153   HD11  LEU  20          HD11      LEU  20   7.087  11.906  -8.079
  154   HD12  LEU  20          HD12      LEU  20   8.240  10.923  -7.177
  155   HD13  LEU  20          HD13      LEU  20   8.724  11.680  -8.694
  156   HD21  LEU  20          HD21      LEU  20   8.610  14.197  -8.835
  157   HD22  LEU  20          HD22      LEU  20   8.721  15.143  -7.350
  158   HD23  LEU  20          HD23      LEU  20   7.178  14.438  -7.834
  159    H    HIS  21           H        HIS  21   8.587  10.915  -3.622
  160    HA   HIS  21           HA       HIS  21   6.576  11.335  -1.694
  161    HB2  HIS  21           HB2      HIS  21   8.253   9.110  -2.591
  162    HB3  HIS  21           HB3      HIS  21   7.859   9.032  -0.876
  163    HD1  HIS  21           HD1      HIS  21   5.509   8.352  -0.254
  164    HD2  HIS  21           HD2      HIS  21   5.972   9.027  -4.327
  165    HE1  HIS  21           HE1      HIS  21   3.381   7.535  -1.317
  166    H    GLY  22           H        GLY  22   9.821  12.167  -1.636
  167    HA2  GLY  22           HA2      GLY  22   9.911  12.081   1.312
  168    HA3  GLY  22           HA3      GLY  22  11.325  12.133   0.270
  169    H    ALA  23           H        ALA  23  10.404  14.178  -1.485
  170    HA   ALA  23           HA       ALA  23  10.919  16.474   0.223
  171    HB1  ALA  23           HB1      ALA  23  10.537  16.798  -2.699
  172    HB2  ALA  23           HB2      ALA  23  11.722  17.536  -1.620
  173    HB3  ALA  23           HB3      ALA  23  11.934  15.869  -2.155
  174    H    GLY  24           H        GLY  24   8.217  14.873  -0.551
  175    HA2  GLY  24           HA2      GLY  24   6.379  16.672   0.334
  176    HA3  GLY  24           HA3      GLY  24   6.521  17.050  -1.376
  177    H    ASN  25           H        ASN  25   5.859  14.392   0.876
  178    HA   ASN  25           HA       ASN  25   4.770  12.674  -1.121
  179    HB2  ASN  25           HB2      ASN  25   4.072  11.267   0.735
  180    HB3  ASN  25           HB3      ASN  25   5.712  11.843   1.016
  181   HD21  ASN  25          HD21      ASN  25   2.998  11.174   2.557
  182   HD22  ASN  25          HD22      ASN  25   3.041  12.341   3.830
  183    H    HIS  26           H        HIS  26   3.481  15.169   0.942
  184    HA   HIS  26           HA       HIS  26   0.751  14.509   0.785
  185    HB2  HIS  26           HB2      HIS  26   2.288  17.001   1.385
  186    HB3  HIS  26           HB3      HIS  26   0.554  17.124   1.102
  187    HD1  HIS  26           HD1      HIS  26   1.335  17.909   3.818
  188    HD2  HIS  26           HD2      HIS  26   0.667  13.928   2.834
  189    HE1  HIS  26           HE1      HIS  26   0.830  16.755   5.994
  190    H    ALA  27           H        ALA  27   2.909  16.090  -1.441
  191    HA   ALA  27           HA       ALA  27   1.099  17.437  -3.074
  192    HB1  ALA  27           HB1      ALA  27   3.400  16.056  -4.348
  193    HB2  ALA  27           HB2      ALA  27   2.829  17.714  -4.535
  194    HB3  ALA  27           HB3      ALA  27   3.736  17.252  -3.095
  195    H    ALA  28           H        ALA  28   2.002  14.038  -2.990
  196    HA   ALA  28           HA       ALA  28   0.434  13.421  -5.350
  197    HB1  ALA  28           HB1      ALA  28   2.283  12.059  -5.291
  198    HB2  ALA  28           HB2      ALA  28   2.225  11.871  -3.538
  199    HB3  ALA  28           HB3      ALA  28   1.070  11.011  -4.556
  200    H    GLY  29           H        GLY  29   0.144  13.227  -1.867
  201    HA2  GLY  29           HA2      GLY  29  -2.054  11.453  -1.750
  202    HA3  GLY  29           HA3      GLY  29  -1.591  12.599  -0.500
  203    H    ILE  30           H        ILE  30  -1.859  14.960  -2.085
  204    HA   ILE  30           HA       ILE  30  -4.754  15.212  -1.977
  205    HB   ILE  30           HB       ILE  30  -2.545  17.238  -2.283
  206   HG12  ILE  30          HG12      ILE  30  -3.013  17.856  -0.087
  207   HG13  ILE  30          HG13      ILE  30  -4.644  17.196  -0.143
  208   HG21  ILE  30          HG21      ILE  30  -4.206  18.191  -3.602
  209   HG22  ILE  30          HG22      ILE  30  -5.506  17.562  -2.590
  210   HG23  ILE  30          HG23      ILE  30  -4.503  18.891  -2.011
  211   HD11  ILE  30          HD11      ILE  30  -3.732  14.937  -0.084
  212   HD12  ILE  30          HD12      ILE  30  -2.097  15.598  -0.031
  213   HD13  ILE  30          HD13      ILE  30  -3.209  15.885   1.307
  214    H    LEU  31           H        LEU  31  -2.129  15.485  -4.319
  215    HA   LEU  31           HA       LEU  31  -3.519  16.529  -6.481
  216    HB2  LEU  31           HB2      LEU  31  -1.151  14.739  -6.207
  217    HB3  LEU  31           HB3      LEU  31  -1.840  15.008  -7.806
  218    HG   LEU  31           HG       LEU  31  -0.934  17.252  -6.015
  219   HD11  LEU  31          HD11      LEU  31   0.775  15.384  -6.942
  220   HD12  LEU  31          HD12      LEU  31   1.194  17.083  -6.725
  221   HD13  LEU  31          HD13      LEU  31   0.729  16.486  -8.318
  222   HD21  LEU  31          HD21      LEU  31  -1.081  17.328  -8.993
  223   HD22  LEU  31          HD22      LEU  31  -1.240  18.638  -7.822
  224   HD23  LEU  31          HD23      LEU  31  -2.562  17.492  -8.050
  225    H    THR  32           H        THR  32  -3.367  13.227  -5.281
  226    HA   THR  32           HA       THR  32  -5.043  12.281  -7.478
  227    HB   THR  32           HB       THR  32  -3.179  10.846  -6.867
  228    HG1  THR  32           HG1      THR  32  -4.773   9.549  -7.533
  229   HG21  THR  32          HG21      THR  32  -2.585  10.338  -4.763
  230   HG22  THR  32          HG22      THR  32  -4.244   9.964  -4.294
  231   HG23  THR  32          HG23      THR  32  -3.679  11.635  -4.281
  232    H    LEU  33           H        LEU  33  -5.144  12.811  -4.001
  233    HA   LEU  33           HA       LEU  33  -7.315  11.544  -3.097
  234    HB2  LEU  33           HB2      LEU  33  -6.329  12.993  -1.586
  235    HB3  LEU  33           HB3      LEU  33  -6.422  14.365  -2.688
  236    HG   LEU  33           HG       LEU  33  -8.963  14.229  -2.322
  237   HD11  LEU  33          HD11      LEU  33  -7.965  12.529  -0.047
  238   HD12  LEU  33          HD12      LEU  33  -9.154  12.102  -1.277
  239   HD13  LEU  33          HD13      LEU  33  -9.541  13.320  -0.061
  240   HD21  LEU  33          HD21      LEU  33  -7.565  14.986   0.194
  241   HD22  LEU  33          HD22      LEU  33  -8.799  15.854  -0.719
  242   HD23  LEU  33          HD23      LEU  33  -7.133  15.821  -1.299
  243    HN1  NH2  34           HN1      NH2  34  -8.067  14.350  -5.616
  244    HN2  NH2  34           HN2      NH2  34  -8.838  14.897  -4.170
  Start of MODEL   26
    1    H1   PCA   1           H1       PCA   1  -0.598   3.669  -0.332
    2    HA   PCA   1           HA       PCA   1   1.883   4.563   0.153
    3    HB2  PCA   1           HB2      PCA   1   2.796   3.377   2.011
    4    HB3  PCA   1           HB3      PCA   1   1.592   2.082   1.891
    5    HG2  PCA   1           HG2      PCA   1   1.101   4.989   2.721
    6    HG3  PCA   1           HG3      PCA   1   0.538   3.516   3.536
    7    HA   PRO   2           HA       PRO   2   1.094   1.655  -3.321
    8    HB2  PRO   2           HB2      PRO   2   1.513   3.525  -5.244
    9    HB3  PRO   2           HB3      PRO   2  -0.064   3.258  -4.491
   10    HG2  PRO   2           HG2      PRO   2   1.987   5.358  -3.900
   11    HG3  PRO   2           HG3      PRO   2   0.227   5.520  -4.034
   12    HD2  PRO   2           HD2      PRO   2   1.499   5.375  -1.648
   13    HD3  PRO   2           HD3      PRO   2  -0.135   4.728  -1.900
   14    H    LEU   3           H        LEU   3   2.772   0.440  -3.903
   15    HA   LEU   3           HA       LEU   3   5.470   1.502  -3.723
   16    HB2  LEU   3           HB2      LEU   3   6.166  -0.628  -3.460
   17    HB3  LEU   3           HB3      LEU   3   4.483  -0.861  -2.994
   18    HG   LEU   3           HG       LEU   3   4.443  -1.294  -5.716
   19   HD11  LEU   3          HD11      LEU   3   6.847  -2.748  -4.653
   20   HD12  LEU   3          HD12      LEU   3   6.973  -1.252  -5.577
   21   HD13  LEU   3          HD13      LEU   3   6.247  -2.683  -6.310
   22   HD21  LEU   3          HD21      LEU   3   4.241  -2.854  -3.251
   23   HD22  LEU   3          HD22      LEU   3   4.703  -3.802  -4.665
   24   HD23  LEU   3          HD23      LEU   3   3.214  -2.856  -4.686
   25    HA   PRO   4           HA       PRO   4   6.181   2.099  -8.012
   26    HB2  PRO   4           HB2      PRO   4   8.769   1.317  -8.255
   27    HB3  PRO   4           HB3      PRO   4   8.290   2.816  -7.451
   28    HG2  PRO   4           HG2      PRO   4   9.013   0.170  -6.251
   29    HG3  PRO   4           HG3      PRO   4   9.486   1.799  -5.735
   30    HD2  PRO   4           HD2      PRO   4   7.506   0.405  -4.523
   31    HD3  PRO   4           HD3      PRO   4   7.484   2.175  -4.655
   32    H    ASP   5           H        ASP   5   6.421   1.049 -10.019
   33    HA   ASP   5           HA       ASP   5   5.883  -1.813  -9.912
   34    HB2  ASP   5           HB2      ASP   5   5.964  -0.399 -12.519
   35    HB3  ASP   5           HB3      ASP   5   4.804  -1.577 -11.910
   36    H    CYS   6           H        CYS   6   8.143   0.427 -11.491
   37    HA   CYS   6           HA       CYS   6   9.658  -1.460 -12.880
   38    HB2  CYS   6           HB2      CYS   6  10.923   0.310 -13.471
   39    HB3  CYS   6           HB3      CYS   6   9.715   1.264 -12.615
   40    H    CYS   7           H        CYS   7   9.384  -0.950  -9.540
   41    HA   CYS   7           HA       CYS   7  12.010  -1.958  -8.860
   42    HB2  CYS   7           HB2      CYS   7  10.564  -0.264  -7.519
   43    HB3  CYS   7           HB3      CYS   7   9.730  -1.695  -6.921
   44    H    ARG   8           H        ARG   8   8.801  -3.190  -9.318
   45    HA   ARG   8           HA       ARG   8   9.278  -5.678  -7.948
   46    HB2  ARG   8           HB2      ARG   8   7.024  -5.003  -7.949
   47    HB3  ARG   8           HB3      ARG   8   7.049  -4.618  -9.664
   48    HG2  ARG   8           HG2      ARG   8   7.034  -6.909 -10.270
   49    HG3  ARG   8           HG3      ARG   8   7.342  -7.416  -8.608
   50    HD2  ARG   8           HD2      ARG   8   5.175  -7.335  -8.083
   51    HD3  ARG   8           HD3      ARG   8   4.977  -5.750  -8.830
   52    HE   ARG   8           HE       ARG   8   5.053  -7.337 -10.973
   53   HH11  ARG   8          HH11      ARG   8   3.297  -7.615  -7.981
   54   HH12  ARG   8          HH12      ARG   8   1.965  -8.465  -8.690
   55   HH21  ARG   8          HH21      ARG   8   3.306  -8.456 -11.920
   56   HH22  ARG   8          HH22      ARG   8   1.971  -8.944 -10.931
   57    H    GLN   9           H        GLN   9   9.443  -4.484 -11.238
   58    HA   GLN   9           HA       GLN   9  10.051  -7.163 -12.241
   59    HB2  GLN   9           HB2      GLN   9   9.674  -4.565 -13.740
   60    HB3  GLN   9           HB3      GLN   9   9.901  -6.147 -14.473
   61    HG2  GLN   9           HG2      GLN   9   7.542  -5.106 -12.951
   62    HG3  GLN   9           HG3      GLN   9   7.606  -5.755 -14.589
   63   HE21  GLN   9          HE21      GLN   9   5.927  -6.509 -12.313
   64   HE22  GLN   9          HE22      GLN   9   6.208  -8.194 -12.056
   65    H    LYS  10           H        LYS  10  11.661  -4.545 -10.981
   66    HA   LYS  10           HA       LYS  10  13.845  -3.915 -10.891
   67    HB2  LYS  10           HB2      LYS  10  14.663  -6.439 -12.280
   68    HB3  LYS  10           HB3      LYS  10  15.454  -5.590 -10.958
   69    HG2  LYS  10           HG2      LYS  10  13.650  -6.305  -9.447
   70    HG3  LYS  10           HG3      LYS  10  12.918  -7.205 -10.778
   71    HD2  LYS  10           HD2      LYS  10  15.440  -8.168 -10.864
   72    HD3  LYS  10           HD3      LYS  10  15.288  -7.829  -9.139
   73    HE2  LYS  10           HE2      LYS  10  13.309  -9.443 -10.741
   74    HE3  LYS  10           HE3      LYS  10  14.619 -10.140  -9.788
   75    HZ1  LYS  10           HZ1      LYS  10  12.100  -9.511  -8.900
   76    HZ2  LYS  10           HZ2      LYS  10  13.085  -8.297  -8.255
   77    HZ3  LYS  10           HZ3      LYS  10  13.432  -9.923  -7.942
   78    H    THR  11           H        THR  11  12.436  -2.917 -13.034
   79    HA   THR  11           HA       THR  11  14.221  -3.151 -15.348
   80    HB   THR  11           HB       THR  11  12.476  -2.654 -16.681
   81    HG1  THR  11           HG1      THR  11  11.239  -0.872 -16.400
   82   HG21  THR  11          HG21      THR  11  10.569  -3.694 -15.993
   83   HG22  THR  11          HG22      THR  11  10.528  -2.839 -14.452
   84   HG23  THR  11          HG23      THR  11  11.627  -4.199 -14.676
   85    H    CYS  12           H        CYS  12  13.686  -1.183 -12.672
   86    HA   CYS  12           HA       CYS  12  15.644   0.708 -13.479
   87    HB2  CYS  12           HB2      CYS  12  14.447   2.537 -14.087
   88    HB3  CYS  12           HB3      CYS  12  13.236   1.340 -14.536
   89    H    SER  13           H        SER  13  15.643   2.626 -11.825
   90    HA   SER  13           HA       SER  13  15.840   1.452  -9.242
   91    HB2  SER  13           HB2      SER  13  17.173   3.443 -10.290
   92    HB3  SER  13           HB3      SER  13  15.842   4.423  -9.675
   93    HG   SER  13           HG       SER  13  17.648   4.159  -8.207
   94    H    CYS  14           H        CYS  14  14.677   1.939  -7.354
   95    HA   CYS  14           HA       CYS  14  11.903   2.742  -7.866
   96    HB2  CYS  14           HB2      CYS  14  12.497   1.687  -5.205
   97    HB3  CYS  14           HB3      CYS  14  11.274   1.184  -6.367
   98    H    ARG  15           H        ARG  15  14.301   4.532  -7.419
   99    HA   ARG  15           HA       ARG  15  13.390   5.932  -5.000
  100    HB2  ARG  15           HB2      ARG  15  15.523   6.933  -4.846
  101    HB3  ARG  15           HB3      ARG  15  15.829   5.252  -5.261
  102    HG2  ARG  15           HG2      ARG  15  16.881   5.818  -7.131
  103    HG3  ARG  15           HG3      ARG  15  15.571   6.892  -7.625
  104    HD2  ARG  15           HD2      ARG  15  16.481   8.609  -6.068
  105    HD3  ARG  15           HD3      ARG  15  17.849   7.540  -5.760
  106    HE   ARG  15           HE       ARG  15  17.659   7.891  -8.515
  107   HH11  ARG  15          HH11      ARG  15  18.311   9.794  -5.673
  108   HH12  ARG  15          HH12      ARG  15  19.332  10.922  -6.504
  109   HH21  ARG  15          HH21      ARG  15  19.001   9.369  -9.619
  110   HH22  ARG  15          HH22      ARG  15  19.722  10.679  -8.748
  111    H    LEU  16           H        LEU  16  13.515   6.111  -8.424
  112    HA   LEU  16           HA       LEU  16  13.294   8.952  -8.658
  113    HB2  LEU  16           HB2      LEU  16  12.305   8.066 -10.994
  114    HB3  LEU  16           HB3      LEU  16  14.027   8.213 -10.646
  115    HG   LEU  16           HG       LEU  16  14.150   5.838 -10.143
  116   HD11  LEU  16          HD11      LEU  16  11.204   6.050 -10.334
  117   HD12  LEU  16          HD12      LEU  16  12.206   5.059  -9.275
  118   HD13  LEU  16          HD13      LEU  16  11.951   4.577 -10.952
  119   HD21  LEU  16          HD21      LEU  16  13.518   4.970 -12.428
  120   HD22  LEU  16          HD22      LEU  16  14.588   6.372 -12.405
  121   HD23  LEU  16          HD23      LEU  16  12.873   6.577 -12.765
  122    H    TYR  17           H        TYR  17  11.039   6.276  -8.425
  123    HA   TYR  17           HA       TYR  17   8.707   7.664  -9.186
  124    HB2  TYR  17           HB2      TYR  17   7.573   5.756  -8.616
  125    HB3  TYR  17           HB3      TYR  17   9.198   5.091  -8.731
  126    HD1  TYR  17           HD1      TYR  17  10.555   5.466  -6.371
  127    HD2  TYR  17           HD2      TYR  17   6.350   4.999  -6.824
  128    HE1  TYR  17           HE1      TYR  17  10.399   4.672  -4.048
  129    HE2  TYR  17           HE2      TYR  17   6.182   4.206  -4.502
  130    HH   TYR  17           HH       TYR  17   8.012   4.690  -2.255
  131    H    GLU  18           H        GLU  18  10.363   7.299  -6.103
  132    HA   GLU  18           HA       GLU  18   8.378   8.330  -4.421
  133    HB2  GLU  18           HB2      GLU  18  11.339   8.049  -4.267
  134    HB3  GLU  18           HB3      GLU  18  10.557   9.107  -3.102
  135    HG2  GLU  18           HG2      GLU  18   9.138   6.621  -3.290
  136    HG3  GLU  18           HG3      GLU  18  10.847   6.332  -2.968
  137    H    LEU  19           H        LEU  19  10.722   9.920  -6.480
  138    HA   LEU  19           HA       LEU  19  10.609  12.505  -5.445
  139    HB2  LEU  19           HB2      LEU  19  11.126  11.409  -8.182
  140    HB3  LEU  19           HB3      LEU  19  11.069  13.149  -7.908
  141    HG   LEU  19           HG       LEU  19  12.853  12.622  -6.068
  142   HD11  LEU  19          HD11      LEU  19  13.613  10.545  -5.963
  143   HD12  LEU  19          HD12      LEU  19  14.082  10.617  -7.661
  144   HD13  LEU  19          HD13      LEU  19  12.469  10.061  -7.215
  145   HD21  LEU  19          HD21      LEU  19  13.347  14.036  -7.917
  146   HD22  LEU  19          HD22      LEU  19  13.361  12.674  -9.037
  147   HD23  LEU  19          HD23      LEU  19  14.633  12.832  -7.825
  148    H    LEU  20           H        LEU  20   8.633  11.023  -8.006
  149    HA   LEU  20           HA       LEU  20   6.945  13.340  -8.234
  150    HB2  LEU  20           HB2      LEU  20   6.274  10.618  -9.289
  151    HB3  LEU  20           HB3      LEU  20   5.824  12.194  -9.935
  152    HG   LEU  20           HG       LEU  20   8.712  11.642  -9.916
  153   HD11  LEU  20          HD11      LEU  20   8.600  10.187 -11.889
  154   HD12  LEU  20          HD12      LEU  20   6.851  10.075 -11.696
  155   HD13  LEU  20          HD13      LEU  20   7.919   9.416 -10.456
  156   HD21  LEU  20          HD21      LEU  20   8.692  12.901 -11.846
  157   HD22  LEU  20          HD22      LEU  20   7.318  13.576 -10.971
  158   HD23  LEU  20          HD23      LEU  20   7.051  12.417 -12.274
  159    H    HIS  21           H        HIS  21   6.617  10.076  -6.884
  160    HA   HIS  21           HA       HIS  21   3.938  10.334  -6.053
  161    HB2  HIS  21           HB2      HIS  21   6.139   8.446  -5.636
  162    HB3  HIS  21           HB3      HIS  21   5.050   8.564  -4.257
  163    HD1  HIS  21           HD1      HIS  21   2.801   7.444  -4.457
  164    HD2  HIS  21           HD2      HIS  21   4.869   7.563  -8.059
  165    HE1  HIS  21           HE1      HIS  21   1.488   5.991  -6.035
  166    H    GLY  22           H        GLY  22   6.676  11.918  -4.971
  167    HA2  GLY  22           HA2      GLY  22   5.494  12.365  -2.302
  168    HA3  GLY  22           HA3      GLY  22   7.205  12.530  -2.669
  169    H    ALA  23           H        ALA  23   7.031  14.003  -5.043
  170    HA   ALA  23           HA       ALA  23   6.450  16.616  -3.942
  171    HB1  ALA  23           HB1      ALA  23   8.461  15.857  -5.451
  172    HB2  ALA  23           HB2      ALA  23   7.340  16.241  -6.758
  173    HB3  ALA  23           HB3      ALA  23   7.788  17.481  -5.587
  174    H    GLY  24           H        GLY  24   4.566  14.357  -5.344
  175    HA2  GLY  24           HA2      GLY  24   2.822  16.409  -6.557
  176    HA3  GLY  24           HA3      GLY  24   3.047  14.835  -7.305
  177    H    ASN  25           H        ASN  25   2.974  13.237  -4.991
  178    HA   ASN  25           HA       ASN  25   0.178  12.935  -4.675
  179    HB2  ASN  25           HB2      ASN  25   2.111  11.186  -4.457
  180    HB3  ASN  25           HB3      ASN  25   2.148  11.707  -2.775
  181   HD21  ASN  25          HD21      ASN  25  -0.042  10.533  -5.287
  182   HD22  ASN  25          HD22      ASN  25  -1.080   9.656  -4.219
  183    H    HIS  26           H        HIS  26   2.700  14.331  -2.645
  184    HA   HIS  26           HA       HIS  26   1.157  14.698  -0.322
  185    HB2  HIS  26           HB2      HIS  26   3.707  15.788  -1.383
  186    HB3  HIS  26           HB3      HIS  26   2.917  16.718  -0.112
  187    HD1  HIS  26           HD1      HIS  26   3.736  16.114   2.128
  188    HD2  HIS  26           HD2      HIS  26   3.845  12.871  -0.467
  189    HE1  HIS  26           HE1      HIS  26   4.686  14.211   3.470
  190    H    ALA  27           H        ALA  27   1.382  16.498  -3.291
  191    HA   ALA  27           HA       ALA  27   0.379  18.971  -2.494
  192    HB1  ALA  27           HB1      ALA  27  -0.016  19.416  -4.752
  193    HB2  ALA  27           HB2      ALA  27   1.306  18.248  -4.772
  194    HB3  ALA  27           HB3      ALA  27  -0.341  17.723  -5.125
  195    H    ALA  28           H        ALA  28  -1.292  15.965  -3.236
  196    HA   ALA  28           HA       ALA  28  -3.906  17.194  -2.986
  197    HB1  ALA  28           HB1      ALA  28  -4.558  14.652  -3.133
  198    HB2  ALA  28           HB2      ALA  28  -4.026  15.538  -4.563
  199    HB3  ALA  28           HB3      ALA  28  -2.898  14.487  -3.707
  200    H    GLY  29           H        GLY  29  -1.703  15.277  -1.059
  201    HA2  GLY  29           HA2      GLY  29  -3.533  14.456   0.935
  202    HA3  GLY  29           HA3      GLY  29  -1.788  14.561   1.122
  203    H    ILE  30           H        ILE  30  -1.601  17.375   0.551
  204    HA   ILE  30           HA       ILE  30  -2.433  18.368   3.157
  205    HB   ILE  30           HB       ILE  30  -0.746  19.709   1.040
  206   HG12  ILE  30          HG12      ILE  30   0.103  17.543   2.180
  207   HG13  ILE  30          HG13      ILE  30   1.166  18.946   2.152
  208   HG21  ILE  30          HG21      ILE  30  -1.497  20.461   3.844
  209   HG22  ILE  30          HG22      ILE  30  -0.028  21.075   3.087
  210   HG23  ILE  30          HG23      ILE  30  -1.602  21.426   2.372
  211   HD11  ILE  30          HD11      ILE  30   0.766  17.522   4.338
  212   HD12  ILE  30          HD12      ILE  30   1.027  19.265   4.393
  213   HD13  ILE  30          HD13      ILE  30  -0.609  18.615   4.499
  214    H    LEU  31           H        LEU  31  -2.958  19.051  -0.266
  215    HA   LEU  31           HA       LEU  31  -4.385  21.422  -0.069
  216    HB2  LEU  31           HB2      LEU  31  -4.296  19.183  -2.015
  217    HB3  LEU  31           HB3      LEU  31  -5.628  20.329  -2.148
  218    HG   LEU  31           HG       LEU  31  -4.244  22.067  -2.780
  219   HD11  LEU  31          HD11      LEU  31  -2.579  22.368  -1.284
  220   HD12  LEU  31          HD12      LEU  31  -1.624  21.570  -2.533
  221   HD13  LEU  31          HD13      LEU  31  -2.227  20.644  -1.159
  222   HD21  LEU  31          HD21      LEU  31  -3.968  21.022  -4.733
  223   HD22  LEU  31          HD22      LEU  31  -3.620  19.477  -3.957
  224   HD23  LEU  31          HD23      LEU  31  -2.334  20.665  -4.174
  225    H    THR  32           H        THR  32  -5.452  18.103   0.392
  226    HA   THR  32           HA       THR  32  -8.198  18.987   0.859
  227    HB   THR  32           HB       THR  32  -7.954  16.997  -0.511
  228    HG1  THR  32           HG1      THR  32  -8.950  16.424   2.101
  229   HG21  THR  32          HG21      THR  32  -5.824  16.385   1.132
  230   HG22  THR  32          HG22      THR  32  -6.529  15.321  -0.086
  231   HG23  THR  32          HG23      THR  32  -7.045  15.200   1.596
  232    H    LEU  33           H        LEU  33  -5.447  17.593   2.549
  233    HA   LEU  33           HA       LEU  33  -4.926  17.558   4.770
  234    HB2  LEU  33           HB2      LEU  33  -6.807  19.625   4.566
  235    HB3  LEU  33           HB3      LEU  33  -7.336  18.630   5.921
  236    HG   LEU  33           HG       LEU  33  -5.998  20.336   6.843
  237   HD11  LEU  33          HD11      LEU  33  -4.712  19.033   8.132
  238   HD12  LEU  33          HD12      LEU  33  -3.812  18.389   6.760
  239   HD13  LEU  33          HD13      LEU  33  -5.384  17.708   7.181
  240   HD21  LEU  33          HD21      LEU  33  -3.936  21.087   6.020
  241   HD22  LEU  33          HD22      LEU  33  -4.944  20.888   4.586
  242   HD23  LEU  33          HD23      LEU  33  -3.732  19.670   4.988
  243    HN1  NH2  34           HN1      NH2  34  -6.137  15.193   3.684
  244    HN2  NH2  34           HN2      NH2  34  -7.748  14.979   4.269
  Start of MODEL   27
    1    H1   PCA   1           H1       PCA   1   2.894   3.260   3.824
    2    HA   PCA   1           HA       PCA   1   4.753   4.913   2.823
    3    HB2  PCA   1           HB2      PCA   1   6.784   4.645   4.044
    4    HB3  PCA   1           HB3      PCA   1   6.273   3.091   4.728
    5    HG2  PCA   1           HG2      PCA   1   5.107   5.855   5.348
    6    HG3  PCA   1           HG3      PCA   1   5.599   4.599   6.501
    7    HA   PRO   2           HA       PRO   2   3.706   1.003   0.644
    8    HB2  PRO   2           HB2      PRO   2   2.459   2.253  -1.418
    9    HB3  PRO   2           HB3      PRO   2   1.628   1.799   0.075
   10    HG2  PRO   2           HG2      PRO   2   2.727   4.459  -0.747
   11    HG3  PRO   2           HG3      PRO   2   1.185   4.082   0.042
   12    HD2  PRO   2           HD2      PRO   2   3.330   5.012   1.408
   13    HD3  PRO   2           HD3      PRO   2   2.153   3.895   2.126
   14    H    LEU   3           H        LEU   3   4.757   0.180  -1.145
   15    HA   LEU   3           HA       LEU   3   7.133   1.517  -1.967
   16    HB2  LEU   3           HB2      LEU   3   7.763  -0.524  -2.566
   17    HB3  LEU   3           HB3      LEU   3   6.215  -1.093  -1.943
   18    HG   LEU   3           HG       LEU   3   6.657  -0.266  -4.807
   19   HD11  LEU   3          HD11      LEU   3   8.059  -2.229  -4.040
   20   HD12  LEU   3          HD12      LEU   3   6.966  -2.527  -5.391
   21   HD13  LEU   3          HD13      LEU   3   6.540  -3.085  -3.773
   22   HD21  LEU   3          HD21      LEU   3   4.372  -0.162  -4.367
   23   HD22  LEU   3          HD22      LEU   3   4.418  -1.555  -3.286
   24   HD23  LEU   3          HD23      LEU   3   4.593  -1.782  -5.027
   25    HA   PRO   4           HA       PRO   4   5.981   3.548  -5.682
   26    HB2  PRO   4           HB2      PRO   4   7.919   2.833  -7.443
   27    HB3  PRO   4           HB3      PRO   4   8.209   3.933  -6.091
   28    HG2  PRO   4           HG2      PRO   4   8.808   1.009  -6.316
   29    HG3  PRO   4           HG3      PRO   4   9.810   2.307  -5.641
   30    HD2  PRO   4           HD2      PRO   4   8.368   0.623  -4.087
   31    HD3  PRO   4           HD3      PRO   4   8.675   2.312  -3.635
   32    H    ASP   5           H        ASP   5   5.028   3.325  -7.740
   33    HA   ASP   5           HA       ASP   5   3.990   0.652  -8.261
   34    HB2  ASP   5           HB2      ASP   5   3.137   2.887  -9.992
   35    HB3  ASP   5           HB3      ASP   5   2.173   1.663  -9.171
   36    H    CYS   6           H        CYS   6   5.684   3.249  -9.994
   37    HA   CYS   6           HA       CYS   6   5.930   1.971 -12.463
   38    HB2  CYS   6           HB2      CYS   6   7.107   3.802 -13.043
   39    HB3  CYS   6           HB3      CYS   6   6.697   4.396 -11.436
   40    H    CYS   7           H        CYS   7   7.303   1.149  -9.497
   41    HA   CYS   7           HA       CYS   7   9.676  -0.104 -10.604
   42    HB2  CYS   7           HB2      CYS   7   9.504   1.019  -8.296
   43    HB3  CYS   7           HB3      CYS   7   8.654  -0.437  -7.790
   44    H    ARG   8           H        ARG   8   6.441  -0.960  -9.695
   45    HA   ARG   8           HA       ARG   8   6.940  -3.794  -9.588
   46    HB2  ARG   8           HB2      ARG   8   4.597  -2.009  -9.265
   47    HB3  ARG   8           HB3      ARG   8   4.261  -3.642  -9.824
   48    HG2  ARG   8           HG2      ARG   8   6.059  -3.887  -7.676
   49    HG3  ARG   8           HG3      ARG   8   4.831  -2.720  -7.184
   50    HD2  ARG   8           HD2      ARG   8   3.076  -4.268  -7.591
   51    HD3  ARG   8           HD3      ARG   8   4.164  -5.383  -8.416
   52    HE   ARG   8           HE       ARG   8   4.831  -4.853  -5.656
   53   HH11  ARG   8          HH11      ARG   8   3.077  -6.876  -7.882
   54   HH12  ARG   8          HH12      ARG   8   2.995  -8.223  -6.795
   55   HH21  ARG   8          HH21      ARG   8   4.729  -6.620  -4.217
   56   HH22  ARG   8          HH22      ARG   8   3.933  -8.076  -4.711
   57    H    GLN   9           H        GLN   9   5.817  -1.471 -11.957
   58    HA   GLN   9           HA       GLN   9   5.279  -3.606 -13.882
   59    HB2  GLN   9           HB2      GLN   9   4.836  -0.624 -14.115
   60    HB3  GLN   9           HB3      GLN   9   4.335  -1.832 -15.291
   61    HG2  GLN   9           HG2      GLN   9   3.147  -1.105 -12.692
   62    HG3  GLN   9           HG3      GLN   9   2.376  -1.602 -14.197
   63   HE21  GLN   9          HE21      GLN   9   1.816  -3.686 -14.477
   64   HE22  GLN   9          HE22      GLN   9   2.082  -4.934 -13.312
   65    H    LYS  10           H        LYS  10   7.828  -1.714 -12.905
   66    HA   LYS  10           HA       LYS  10   9.884  -1.257 -13.762
   67    HB2  LYS  10           HB2      LYS  10   9.059  -3.346 -15.787
   68    HB3  LYS  10           HB3      LYS  10  10.688  -2.703 -15.623
   69    HG2  LYS  10           HG2      LYS  10   9.775  -3.617 -13.075
   70    HG3  LYS  10           HG3      LYS  10   9.540  -4.887 -14.278
   71    HD2  LYS  10           HD2      LYS  10  11.980  -4.223 -14.990
   72    HD3  LYS  10           HD3      LYS  10  12.061  -3.591 -13.344
   73    HE2  LYS  10           HE2      LYS  10  11.074  -6.369 -13.876
   74    HE3  LYS  10           HE3      LYS  10  12.801  -6.028 -13.794
   75    HZ1  LYS  10           HZ1      LYS  10  12.254  -4.942 -11.574
   76    HZ2  LYS  10           HZ2      LYS  10  12.220  -6.632 -11.639
   77    HZ3  LYS  10           HZ3      LYS  10  10.773  -5.756 -11.663
   78    H    THR  11           H        THR  11   7.911   0.540 -14.434
   79    HA   THR  11           HA       THR  11   8.296   1.144 -17.274
   80    HB   THR  11           HB       THR  11   6.309   2.203 -17.263
   81    HG1  THR  11           HG1      THR  11   5.683   3.629 -15.573
   82   HG21  THR  11          HG21      THR  11   4.760   1.063 -16.041
   83   HG22  THR  11          HG22      THR  11   5.651   1.255 -14.531
   84   HG23  THR  11          HG23      THR  11   6.156   0.039 -15.704
   85    H    CYS  12           H        CYS  12   9.567   1.947 -14.262
   86    HA   CYS  12           HA       CYS  12  11.336   3.879 -15.332
   87    HB2  CYS  12           HB2      CYS  12  10.491   5.886 -14.668
   88    HB3  CYS  12           HB3      CYS  12   8.958   5.040 -14.853
   89    H    SER  13           H        SER  13  12.518   5.046 -13.417
   90    HA   SER  13           HA       SER  13  13.591   3.008 -11.772
   91    HB2  SER  13           HB2      SER  13  15.013   4.826 -12.445
   92    HB3  SER  13           HB3      SER  13  13.928   6.013 -11.722
   93    HG   SER  13           HG       SER  13  15.255   5.787 -10.091
   94    H    CYS  14           H        CYS  14  13.518   2.765  -9.515
   95    HA   CYS  14           HA       CYS  14  11.003   3.677  -8.328
   96    HB2  CYS  14           HB2      CYS  14  12.678   1.809  -6.790
   97    HB3  CYS  14           HB3      CYS  14  10.960   1.734  -7.168
   98    H    ARG  15           H        ARG  15  13.525   5.300  -8.615
   99    HA   ARG  15           HA       ARG  15  14.023   5.848  -5.765
  100    HB2  ARG  15           HB2      ARG  15  15.747   6.978  -7.928
  101    HB3  ARG  15           HB3      ARG  15  16.167   6.545  -6.277
  102    HG2  ARG  15           HG2      ARG  15  15.404   4.160  -7.551
  103    HG3  ARG  15           HG3      ARG  15  16.457   5.021  -8.674
  104    HD2  ARG  15           HD2      ARG  15  18.203   5.150  -7.058
  105    HD3  ARG  15           HD3      ARG  15  17.139   4.571  -5.777
  106    HE   ARG  15           HE       ARG  15  17.116   2.532  -7.542
  107   HH11  ARG  15          HH11      ARG  15  19.683   4.342  -6.041
  108   HH12  ARG  15          HH12      ARG  15  20.801   3.018  -6.057
  109   HH21  ARG  15          HH21      ARG  15  18.579   0.782  -7.569
  110   HH22  ARG  15          HH22      ARG  15  20.172   0.995  -6.927
  111    H    LEU  16           H        LEU  16  12.570   7.039  -8.597
  112    HA   LEU  16           HA       LEU  16  12.789   9.833  -8.024
  113    HB2  LEU  16           HB2      LEU  16  10.668   9.732  -9.650
  114    HB3  LEU  16           HB3      LEU  16  12.333   9.647 -10.220
  115    HG   LEU  16           HG       LEU  16  12.182   7.240 -10.416
  116   HD11  LEU  16          HD11      LEU  16   9.675   6.393 -10.165
  117   HD12  LEU  16          HD12      LEU  16   9.646   7.665  -8.945
  118   HD13  LEU  16          HD13      LEU  16  10.823   6.358  -8.826
  119   HD21  LEU  16          HD21      LEU  16   9.660   7.879 -11.741
  120   HD22  LEU  16          HD22      LEU  16  11.203   7.364 -12.422
  121   HD23  LEU  16          HD23      LEU  16  10.934   9.063 -12.033
  122    H    TYR  17           H        TYR  17  10.545   7.284  -7.207
  123    HA   TYR  17           HA       TYR  17   8.424   8.949  -6.320
  124    HB2  TYR  17           HB2      TYR  17   7.357   7.006  -5.701
  125    HB3  TYR  17           HB3      TYR  17   8.513   6.364  -6.862
  126    HD1  TYR  17           HD1      TYR  17  10.944   5.939  -5.603
  127    HD2  TYR  17           HD2      TYR  17   7.079   5.682  -3.844
  128    HE1  TYR  17           HE1      TYR  17  11.834   4.421  -3.885
  129    HE2  TYR  17           HE2      TYR  17   7.958   4.164  -2.119
  130    HH   TYR  17           HH       TYR  17   9.718   2.990  -1.424
  131    H    GLU  18           H        GLU  18  11.258   7.570  -4.761
  132    HA   GLU  18           HA       GLU  18  10.585   8.078  -2.095
  133    HB2  GLU  18           HB2      GLU  18  12.874   7.201  -3.535
  134    HB3  GLU  18           HB3      GLU  18  13.387   8.495  -2.461
  135    HG2  GLU  18           HG2      GLU  18  12.052   5.908  -1.729
  136    HG3  GLU  18           HG3      GLU  18  13.664   6.467  -1.284
  137    H    LEU  19           H        LEU  19  11.879  10.168  -4.590
  138    HA   LEU  19           HA       LEU  19  12.783  12.296  -3.044
  139    HB2  LEU  19           HB2      LEU  19  11.648  12.096  -5.805
  140    HB3  LEU  19           HB3      LEU  19  12.041  13.671  -5.116
  141    HG   LEU  19           HG       LEU  19  13.914  13.122  -6.387
  142   HD11  LEU  19          HD11      LEU  19  14.811  11.974  -3.778
  143   HD12  LEU  19          HD12      LEU  19  14.287  13.654  -3.879
  144   HD13  LEU  19          HD13      LEU  19  15.644  13.094  -4.856
  145   HD21  LEU  19          HD21      LEU  19  13.036  10.522  -6.165
  146   HD22  LEU  19          HD22      LEU  19  14.571  10.504  -5.298
  147   HD23  LEU  19          HD23      LEU  19  14.511  11.053  -6.973
  148    H    LEU  20           H        LEU  20   9.548  11.764  -4.430
  149    HA   LEU  20           HA       LEU  20   8.458  14.074  -3.105
  150    HB2  LEU  20           HB2      LEU  20   6.789  11.891  -4.278
  151    HB3  LEU  20           HB3      LEU  20   6.478  13.624  -4.221
  152    HG   LEU  20           HG       LEU  20   8.792  12.780  -5.849
  153   HD11  LEU  20          HD11      LEU  20   5.988  12.315  -6.843
  154   HD12  LEU  20          HD12      LEU  20   7.066  11.031  -6.297
  155   HD13  LEU  20          HD13      LEU  20   7.500  12.010  -7.698
  156   HD21  LEU  20          HD21      LEU  20   6.706  14.462  -7.002
  157   HD22  LEU  20          HD22      LEU  20   8.436  14.757  -6.829
  158   HD23  LEU  20          HD23      LEU  20   7.347  15.082  -5.480
  159    H    HIS  21           H        HIS  21   8.284  10.562  -2.684
  160    HA   HIS  21           HA       HIS  21   6.442  10.565  -0.553
  161    HB2  HIS  21           HB2      HIS  21   8.205   8.634  -1.857
  162    HB3  HIS  21           HB3      HIS  21   8.024   8.335  -0.131
  163    HD1  HIS  21           HD1      HIS  21   5.802   7.413   0.674
  164    HD2  HIS  21           HD2      HIS  21   5.789   8.427  -3.355
  165    HE1  HIS  21           HE1      HIS  21   3.659   6.475  -0.249
  166    H    GLY  22           H        GLY  22   9.598  11.697  -0.685
  167    HA2  GLY  22           HA2      GLY  22   9.928  11.374   2.233
  168    HA3  GLY  22           HA3      GLY  22  11.263  11.546   1.104
  169    H    ALA  23           H        ALA  23  10.182  13.665  -0.445
  170    HA   ALA  23           HA       ALA  23  10.743  15.863   1.365
  171    HB1  ALA  23           HB1      ALA  23  11.610  15.474  -1.090
  172    HB2  ALA  23           HB2      ALA  23  10.111  16.305  -1.508
  173    HB3  ALA  23           HB3      ALA  23  11.301  17.098  -0.476
  174    H    GLY  24           H        GLY  24   8.038  14.216   0.732
  175    HA2  GLY  24           HA2      GLY  24   6.143  15.577   1.915
  176    HA3  GLY  24           HA3      GLY  24   6.280  16.546   0.456
  177    H    ASN  25           H        ASN  25   5.518  13.330   1.686
  178    HA   ASN  25           HA       ASN  25   4.675  12.194  -0.742
  179    HB2  ASN  25           HB2      ASN  25   5.140  10.858   1.267
  180    HB3  ASN  25           HB3      ASN  25   3.744  11.572   2.070
  181   HD21  ASN  25          HD21      ASN  25   3.073   9.346   2.324
  182   HD22  ASN  25          HD22      ASN  25   2.237   8.562   1.031
  183    H    HIS  26           H        HIS  26   3.014  14.182   1.630
  184    HA   HIS  26           HA       HIS  26   0.386  13.813   0.694
  185    HB2  HIS  26           HB2      HIS  26   1.780  15.847   2.366
  186    HB3  HIS  26           HB3      HIS  26   0.203  16.273   1.708
  187    HD1  HIS  26           HD1      HIS  26   1.670  14.799   4.591
  188    HD2  HIS  26           HD2      HIS  26  -1.777  14.084   2.385
  189    HE1  HIS  26           HE1      HIS  26   0.154  13.494   6.116
  190    H    ALA  27           H        ALA  27   3.018  15.789  -0.437
  191    HA   ALA  27           HA       ALA  27   1.651  17.686  -1.948
  192    HB1  ALA  27           HB1      ALA  27   4.059  16.760  -3.271
  193    HB2  ALA  27           HB2      ALA  27   3.702  18.324  -2.538
  194    HB3  ALA  27           HB3      ALA  27   4.299  16.999  -1.540
  195    H    ALA  28           H        ALA  28   2.509  14.354  -2.709
  196    HA   ALA  28           HA       ALA  28   1.504  14.565  -5.417
  197    HB1  ALA  28           HB1      ALA  28   3.383  13.148  -5.156
  198    HB2  ALA  28           HB2      ALA  28   2.627  12.274  -3.822
  199    HB3  ALA  28           HB3      ALA  28   2.002  12.094  -5.461
  200    H    GLY  29           H        GLY  29   0.411  13.424  -2.299
  201    HA2  GLY  29           HA2      GLY  29  -1.805  11.907  -3.259
  202    HA3  GLY  29           HA3      GLY  29  -1.570  12.473  -1.612
  203    H    ILE  30           H        ILE  30  -1.363  15.273  -2.360
  204    HA   ILE  30           HA       ILE  30  -4.203  15.828  -2.524
  205    HB   ILE  30           HB       ILE  30  -1.815  17.602  -2.036
  206   HG12  ILE  30          HG12      ILE  30  -2.764  15.995  -0.254
  207   HG13  ILE  30          HG13      ILE  30  -2.522  17.678   0.201
  208   HG21  ILE  30          HG21      ILE  30  -3.367  18.943  -3.252
  209   HG22  ILE  30          HG22      ILE  30  -4.721  18.343  -2.296
  210   HG23  ILE  30          HG23      ILE  30  -3.507  19.381  -1.550
  211   HD11  ILE  30          HD11      ILE  30  -4.770  18.115   0.290
  212   HD12  ILE  30          HD12      ILE  30  -5.178  16.812  -0.827
  213   HD13  ILE  30          HD13      ILE  30  -4.718  16.438   0.834
  214    H    LEU  31           H        LEU  31  -1.267  16.595  -4.358
  215    HA   LEU  31           HA       LEU  31  -2.464  18.211  -6.311
  216    HB2  LEU  31           HB2      LEU  31  -0.466  18.091  -7.460
  217    HB3  LEU  31           HB3      LEU  31   0.024  17.775  -5.797
  218    HG   LEU  31           HG       LEU  31  -0.069  15.303  -6.407
  219   HD11  LEU  31          HD11      LEU  31   0.548  15.557  -9.131
  220   HD12  LEU  31          HD12      LEU  31  -0.948  16.456  -8.879
  221   HD13  LEU  31          HD13      LEU  31  -0.850  14.760  -8.409
  222   HD21  LEU  31          HD21      LEU  31   2.167  15.313  -7.149
  223   HD22  LEU  31          HD22      LEU  31   1.987  16.769  -6.170
  224   HD23  LEU  31          HD23      LEU  31   1.985  16.884  -7.931
  225    H    THR  32           H        THR  32  -2.265  14.744  -5.967
  226    HA   THR  32           HA       THR  32  -3.221  14.234  -8.652
  227    HB   THR  32           HB       THR  32  -1.649  12.665  -7.568
  228    HG1  THR  32           HG1      THR  32  -3.071  11.876  -9.182
  229   HG21  THR  32          HG21      THR  32  -2.871  12.986  -5.283
  230   HG22  THR  32          HG22      THR  32  -2.147  11.426  -5.675
  231   HG23  THR  32          HG23      THR  32  -3.885  11.661  -5.852
  232    H    LEU  33           H        LEU  33  -4.476  14.000  -5.343
  233    HA   LEU  33           HA       LEU  33  -7.176  13.656  -6.467
  234    HB2  LEU  33           HB2      LEU  33  -5.898  12.697  -3.943
  235    HB3  LEU  33           HB3      LEU  33  -7.643  12.931  -4.006
  236    HG   LEU  33           HG       LEU  33  -6.066  11.090  -5.804
  237   HD11  LEU  33          HD11      LEU  33  -6.288  10.519  -3.306
  238   HD12  LEU  33          HD12      LEU  33  -6.751   9.299  -4.491
  239   HD13  LEU  33          HD13      LEU  33  -7.992  10.246  -3.672
  240   HD21  LEU  33          HD21      LEU  33  -8.861  12.019  -5.758
  241   HD22  LEU  33          HD22      LEU  33  -8.632  10.281  -5.957
  242   HD23  LEU  33          HD23      LEU  33  -7.887  11.405  -7.095
  243    HN1  NH2  34           HN1      NH2  34  -8.818  16.019  -5.018
  244    HN2  NH2  34           HN2      NH2  34  -7.973  15.970  -6.524
  Start of MODEL   28
    1    H1   PCA   1           H1       PCA   1   6.643   0.218   4.193
    2    HA   PCA   1           HA       PCA   1   4.973   2.295   3.892
    3    HB2  PCA   1           HB2      PCA   1   6.226   4.228   3.276
    4    HB3  PCA   1           HB3      PCA   1   7.638   3.270   2.796
    5    HG2  PCA   1           HG2      PCA   1   6.549   3.664   5.632
    6    HG3  PCA   1           HG3      PCA   1   8.230   3.819   5.082
    7    HA   PRO   2           HA       PRO   2   4.075   0.313   0.165
    8    HB2  PRO   2           HB2      PRO   2   2.971   2.332  -1.274
    9    HB3  PRO   2           HB3      PRO   2   2.161   1.582   0.106
   10    HG2  PRO   2           HG2      PRO   2   3.706   4.143  -0.021
   11    HG3  PRO   2           HG3      PRO   2   2.171   3.801   0.799
   12    HD2  PRO   2           HD2      PRO   2   4.537   3.889   2.114
   13    HD3  PRO   2           HD3      PRO   2   3.210   2.816   2.606
   14    H    LEU   3           H        LEU   3   5.365  -0.334  -1.432
   15    HA   LEU   3           HA       LEU   3   7.561   1.264  -2.331
   16    HB2  LEU   3           HB2      LEU   3   8.401  -0.692  -2.956
   17    HB3  LEU   3           HB3      LEU   3   6.963  -1.436  -2.261
   18    HG   LEU   3           HG       LEU   3   7.170  -0.582  -5.144
   19   HD11  LEU   3          HD11      LEU   3   7.689  -2.815  -5.731
   20   HD12  LEU   3          HD12      LEU   3   7.460  -3.379  -4.076
   21   HD13  LEU   3          HD13      LEU   3   8.834  -2.348  -4.473
   22   HD21  LEU   3          HD21      LEU   3   4.903  -0.799  -4.118
   23   HD22  LEU   3          HD22      LEU   3   5.268  -2.495  -3.800
   24   HD23  LEU   3          HD23      LEU   3   5.204  -1.902  -5.461
   25    HA   PRO   4           HA       PRO   4   6.004   3.120  -5.989
   26    HB2  PRO   4           HB2      PRO   4   7.928   2.628  -7.840
   27    HB3  PRO   4           HB3      PRO   4   8.148   3.764  -6.504
   28    HG2  PRO   4           HG2      PRO   4   9.080   0.930  -6.753
   29    HG3  PRO   4           HG3      PRO   4   9.950   2.342  -6.128
   30    HD2  PRO   4           HD2      PRO   4   8.793   0.509  -4.506
   31    HD3  PRO   4           HD3      PRO   4   8.918   2.226  -4.071
   32    H    ASP   5           H        ASP   5   4.992   2.771  -8.003
   33    HA   ASP   5           HA       ASP   5   4.231  -0.001  -8.460
   34    HB2  ASP   5           HB2      ASP   5   3.115   2.145 -10.172
   35    HB3  ASP   5           HB3      ASP   5   2.303   0.800  -9.375
   36    H    CYS   6           H        CYS   6   5.602   2.719 -10.287
   37    HA   CYS   6           HA       CYS   6   5.894   1.438 -12.746
   38    HB2  CYS   6           HB2      CYS   6   6.954   3.332 -13.391
   39    HB3  CYS   6           HB3      CYS   6   6.418   3.937 -11.826
   40    H    CYS   7           H        CYS   7   7.417   0.766  -9.820
   41    HA   CYS   7           HA       CYS   7   9.866  -0.269 -10.982
   42    HB2  CYS   7           HB2      CYS   7   9.866   0.823  -8.752
   43    HB3  CYS   7           HB3      CYS   7   8.845  -0.475  -8.142
   44    H    ARG   8           H        ARG   8   6.746  -1.415  -9.996
   45    HA   ARG   8           HA       ARG   8   7.507  -4.192  -9.898
   46    HB2  ARG   8           HB2      ARG   8   5.024  -2.626  -9.507
   47    HB3  ARG   8           HB3      ARG   8   4.816  -4.278 -10.074
   48    HG2  ARG   8           HG2      ARG   8   6.698  -4.282  -7.939
   49    HG3  ARG   8           HG3      ARG   8   5.272  -3.369  -7.443
   50    HD2  ARG   8           HD2      ARG   8   3.835  -5.218  -7.972
   51    HD3  ARG   8           HD3      ARG   8   5.176  -6.114  -8.682
   52    HE   ARG   8           HE       ARG   8   5.807  -5.523  -6.018
   53   HH11  ARG   8          HH11      ARG   8   3.589  -7.474  -7.860
   54   HH12  ARG   8          HH12      ARG   8   3.438  -8.691  -6.636
   55   HH21  ARG   8          HH21      ARG   8   5.616  -7.118  -4.398
   56   HH22  ARG   8          HH22      ARG   8   4.591  -8.487  -4.667
   57    H    GLN   9           H        GLN   9   6.006  -2.012 -12.216
   58    HA   GLN   9           HA       GLN   9   5.639  -4.183 -14.129
   59    HB2  GLN   9           HB2      GLN   9   4.966  -1.245 -14.368
   60    HB3  GLN   9           HB3      GLN   9   4.520  -2.500 -15.517
   61    HG2  GLN   9           HG2      GLN   9   3.569  -3.404 -13.063
   62    HG3  GLN   9           HG3      GLN   9   3.210  -1.678 -13.090
   63   HE21  GLN   9          HE21      GLN   9   1.427  -3.999 -13.237
   64   HE22  GLN   9          HE22      GLN   9   0.523  -3.807 -14.696
   65    H    LYS  10           H        LYS  10   8.051  -2.071 -13.238
   66    HA   LYS  10           HA       LYS  10  10.068  -1.529 -14.142
   67    HB2  LYS  10           HB2      LYS  10   9.698  -3.155 -16.587
   68    HB3  LYS  10           HB3      LYS  10  11.061  -3.081 -15.478
   69    HG2  LYS  10           HG2      LYS  10   9.195  -4.258 -13.911
   70    HG3  LYS  10           HG3      LYS  10   8.738  -4.871 -15.502
   71    HD2  LYS  10           HD2      LYS  10  10.659  -6.068 -15.743
   72    HD3  LYS  10           HD3      LYS  10  11.620  -4.919 -14.809
   73    HE2  LYS  10           HE2      LYS  10   9.604  -6.200 -13.177
   74    HE3  LYS  10           HE3      LYS  10  10.653  -7.384 -13.953
   75    HZ1  LYS  10           HZ1      LYS  10  11.661  -6.825 -11.917
   76    HZ2  LYS  10           HZ2      LYS  10  11.441  -5.165 -12.157
   77    HZ3  LYS  10           HZ3      LYS  10  12.559  -6.014 -13.100
   78    H    THR  11           H        THR  11   7.972   0.188 -14.651
   79    HA   THR  11           HA       THR  11   8.205   0.942 -17.471
   80    HB   THR  11           HB       THR  11   6.178   1.915 -17.320
   81    HG1  THR  11           HG1      THR  11   5.553   3.118 -15.379
   82   HG21  THR  11          HG21      THR  11   5.671   0.795 -14.623
   83   HG22  THR  11          HG22      THR  11   6.196  -0.335 -15.870
   84   HG23  THR  11          HG23      THR  11   4.741   0.631 -16.111
   85    H    CYS  12           H        CYS  12   9.575   1.670 -14.482
   86    HA   CYS  12           HA       CYS  12  11.274   3.655 -15.494
   87    HB2  CYS  12           HB2      CYS  12  10.392   5.666 -14.850
   88    HB3  CYS  12           HB3      CYS  12   8.890   4.804 -15.168
   89    H    SER  13           H        SER  13  12.374   4.883 -13.572
   90    HA   SER  13           HA       SER  13  13.527   2.959 -11.901
   91    HB2  SER  13           HB2      SER  13  13.475   5.962 -11.517
   92    HB3  SER  13           HB3      SER  13  14.606   4.842 -10.758
   93    HG   SER  13           HG       SER  13  14.425   5.644 -13.447
   94    H    CYS  14           H        CYS  14  13.361   2.575  -9.675
   95    HA   CYS  14           HA       CYS  14  10.686   2.943  -8.620
   96    HB2  CYS  14           HB2      CYS  14  12.793   1.640  -6.982
   97    HB3  CYS  14           HB3      CYS  14  11.119   1.165  -7.248
   98    H    ARG  15           H        ARG  15  13.887   3.265  -7.084
   99    HA   ARG  15           HA       ARG  15  13.261   4.733  -4.908
  100    HB2  ARG  15           HB2      ARG  15  15.519   4.112  -5.170
  101    HB3  ARG  15           HB3      ARG  15  15.650   4.924  -6.724
  102    HG2  ARG  15           HG2      ARG  15  16.834   6.279  -5.239
  103    HG3  ARG  15           HG3      ARG  15  15.279   7.090  -5.439
  104    HD2  ARG  15           HD2      ARG  15  15.681   7.149  -3.133
  105    HD3  ARG  15           HD3      ARG  15  14.545   5.818  -3.351
  106    HE   ARG  15           HE       ARG  15  16.143   4.392  -2.564
  107   HH11  ARG  15          HH11      ARG  15  17.681   7.345  -3.581
  108   HH12  ARG  15          HH12      ARG  15  19.243   6.890  -2.985
  109   HH21  ARG  15          HH21      ARG  15  18.195   3.781  -1.776
  110   HH22  ARG  15          HH22      ARG  15  19.534   4.862  -1.959
  111    H    LEU  16           H        LEU  16  13.032   5.780  -8.177
  112    HA   LEU  16           HA       LEU  16  13.249   8.533  -7.970
  113    HB2  LEU  16           HB2      LEU  16  12.607   8.483 -10.096
  114    HB3  LEU  16           HB3      LEU  16  12.490   6.734  -9.915
  115    HG   LEU  16           HG       LEU  16  10.178   8.604  -9.430
  116   HD11  LEU  16          HD11      LEU  16  10.996   8.781 -11.757
  117   HD12  LEU  16          HD12      LEU  16   9.387   8.068 -11.639
  118   HD13  LEU  16          HD13      LEU  16  10.789   7.038 -11.932
  119   HD21  LEU  16          HD21      LEU  16   9.454   5.991 -10.275
  120   HD22  LEU  16          HD22      LEU  16   9.132   6.779  -8.730
  121   HD23  LEU  16          HD23      LEU  16  10.610   5.842  -8.952
  122    H    TYR  17           H        TYR  17  10.529   6.436  -7.181
  123    HA   TYR  17           HA       TYR  17   8.655   8.512  -6.716
  124    HB2  TYR  17           HB2      TYR  17   7.193   6.844  -6.212
  125    HB3  TYR  17           HB3      TYR  17   8.429   5.843  -6.966
  126    HD1  TYR  17           HD1      TYR  17  10.375   5.155  -5.199
  127    HD2  TYR  17           HD2      TYR  17   6.332   6.058  -4.230
  128    HE1  TYR  17           HE1      TYR  17  10.585   3.847  -3.126
  129    HE2  TYR  17           HE2      TYR  17   6.531   4.754  -2.155
  130    HH   TYR  17           HH       TYR  17   9.378   2.835  -1.457
  131    H    GLU  18           H        GLU  18  10.980   6.833  -4.678
  132    HA   GLU  18           HA       GLU  18  10.101   7.739  -2.181
  133    HB2  GLU  18           HB2      GLU  18  12.221   6.204  -3.137
  134    HB3  GLU  18           HB3      GLU  18  12.997   7.576  -2.359
  135    HG2  GLU  18           HG2      GLU  18  10.869   5.953  -1.003
  136    HG3  GLU  18           HG3      GLU  18  12.578   5.529  -0.932
  137    H    LEU  19           H        LEU  19  12.055   9.280  -4.644
  138    HA   LEU  19           HA       LEU  19  13.150  11.371  -3.160
  139    HB2  LEU  19           HB2      LEU  19  12.407  11.028  -6.032
  140    HB3  LEU  19           HB3      LEU  19  12.935  12.606  -5.452
  141    HG   LEU  19           HG       LEU  19  14.969  11.170  -4.532
  142   HD11  LEU  19          HD11      LEU  19  15.043   9.078  -5.254
  143   HD12  LEU  19          HD12      LEU  19  15.090   9.665  -6.916
  144   HD13  LEU  19          HD13      LEU  19  13.542   9.308  -6.151
  145   HD21  LEU  19          HD21      LEU  19  16.212  11.828  -6.482
  146   HD22  LEU  19          HD22      LEU  19  15.035  13.086  -6.104
  147   HD23  LEU  19          HD23      LEU  19  14.732  11.963  -7.431
  148    H    LEU  20           H        LEU  20  10.084  11.257  -4.963
  149    HA   LEU  20           HA       LEU  20   9.292  13.865  -4.042
  150    HB2  LEU  20           HB2      LEU  20   7.461  11.837  -5.275
  151    HB3  LEU  20           HB3      LEU  20   7.367  13.595  -5.347
  152    HG   LEU  20           HG       LEU  20   9.797  12.616  -6.577
  153   HD11  LEU  20          HD11      LEU  20   7.172  11.562  -7.612
  154   HD12  LEU  20          HD12      LEU  20   8.573  10.626  -7.094
  155   HD13  LEU  20          HD13      LEU  20   8.664  11.614  -8.552
  156   HD21  LEU  20          HD21      LEU  20   8.766  13.915  -8.505
  157   HD22  LEU  20          HD22      LEU  20   9.095  14.814  -7.023
  158   HD23  LEU  20          HD23      LEU  20   7.448  14.302  -7.397
  159    H    HIS  21           H        HIS  21   8.328  10.518  -3.360
  160    HA   HIS  21           HA       HIS  21   6.304  11.138  -1.499
  161    HB2  HIS  21           HB2      HIS  21   7.728   8.746  -2.399
  162    HB3  HIS  21           HB3      HIS  21   7.266   8.677  -0.701
  163    HD1  HIS  21           HD1      HIS  21   4.799   8.378  -0.165
  164    HD2  HIS  21           HD2      HIS  21   5.548   8.883  -4.220
  165    HE1  HIS  21           HE1      HIS  21   2.635   7.828  -1.322
  166    H    GLY  22           H        GLY  22   9.601  11.614  -1.299
  167    HA2  GLY  22           HA2      GLY  22   9.559  11.450   1.649
  168    HA3  GLY  22           HA3      GLY  22  11.012  11.317   0.671
  169    H    ALA  23           H        ALA  23  10.587  13.467  -1.077
  170    HA   ALA  23           HA       ALA  23  11.293  15.656   0.685
  171    HB1  ALA  23           HB1      ALA  23  12.310  16.620  -1.109
  172    HB2  ALA  23           HB2      ALA  23  12.325  14.941  -1.650
  173    HB3  ALA  23           HB3      ALA  23  11.092  16.050  -2.250
  174    H    GLY  24           H        GLY  24   8.428  14.465  -0.256
  175    HA2  GLY  24           HA2      GLY  24   6.819  16.486   0.594
  176    HA3  GLY  24           HA3      GLY  24   7.102  16.882  -1.095
  177    H    ASN  25           H        ASN  25   5.765  14.479   1.099
  178    HA   ASN  25           HA       ASN  25   4.601  12.921  -1.025
  179    HB2  ASN  25           HB2      ASN  25   5.010  11.543   0.767
  180    HB3  ASN  25           HB3      ASN  25   4.644  12.795   1.951
  181   HD21  ASN  25          HD21      ASN  25   3.590   9.978   0.615
  182   HD22  ASN  25          HD22      ASN  25   1.917  10.072   1.034
  183    H    HIS  26           H        HIS  26   3.626  15.542   1.046
  184    HA   HIS  26           HA       HIS  26   0.835  15.313   0.779
  185    HB2  HIS  26           HB2      HIS  26   2.664  17.127   1.963
  186    HB3  HIS  26           HB3      HIS  26   1.599  18.071   0.925
  187    HD1  HIS  26           HD1      HIS  26   1.533  18.268   4.033
  188    HD2  HIS  26           HD2      HIS  26  -0.998  15.901   1.741
  189    HE1  HIS  26           HE1      HIS  26  -0.511  17.901   5.451
  190    H    ALA  27           H        ALA  27   3.293  16.575  -1.336
  191    HA   ALA  27           HA       ALA  27   1.776  18.209  -3.004
  192    HB1  ALA  27           HB1      ALA  27   3.855  18.467  -3.756
  193    HB2  ALA  27           HB2      ALA  27   4.363  16.907  -3.107
  194    HB3  ALA  27           HB3      ALA  27   3.600  16.995  -4.694
  195    H    ALA  28           H        ALA  28   2.140  14.711  -2.956
  196    HA   ALA  28           HA       ALA  28   0.588  14.378  -5.383
  197    HB1  ALA  28           HB1      ALA  28   2.554  12.889  -4.281
  198    HB2  ALA  28           HB2      ALA  28   1.130  12.016  -3.716
  199    HB3  ALA  28           HB3      ALA  28   1.379  12.272  -5.443
  200    H    GLY  29           H        GLY  29   0.139  14.178  -1.917
  201    HA2  GLY  29           HA2      GLY  29  -2.310  12.765  -1.915
  202    HA3  GLY  29           HA3      GLY  29  -1.724  13.806  -0.626
  203    H    ILE  30           H        ILE  30  -1.562  16.203  -2.177
  204    HA   ILE  30           HA       ILE  30  -4.387  16.897  -2.167
  205    HB   ILE  30           HB       ILE  30  -1.871  18.542  -2.305
  206   HG12  ILE  30          HG12      ILE  30  -2.431  19.260  -0.150
  207   HG13  ILE  30          HG13      ILE  30  -4.125  18.819  -0.340
  208   HG21  ILE  30          HG21      ILE  30  -4.693  19.348  -2.875
  209   HG22  ILE  30          HG22      ILE  30  -3.567  20.494  -2.148
  210   HG23  ILE  30          HG23      ILE  30  -3.210  19.787  -3.724
  211   HD11  ILE  30          HD11      ILE  30  -1.864  16.846  -0.132
  212   HD12  ILE  30          HD12      ILE  30  -2.884  17.358   1.213
  213   HD13  ILE  30          HD13      ILE  30  -3.591  16.489  -0.148
  214    H    LEU  31           H        LEU  31  -1.664  16.783  -4.405
  215    HA   LEU  31           HA       LEU  31  -2.781  18.071  -6.594
  216    HB2  LEU  31           HB2      LEU  31  -0.740  15.925  -6.263
  217    HB3  LEU  31           HB3      LEU  31  -1.318  16.307  -7.884
  218    HG   LEU  31           HG       LEU  31  -0.139  18.372  -6.037
  219   HD11  LEU  31          HD11      LEU  31   1.431  17.266  -8.293
  220   HD12  LEU  31          HD12      LEU  31   1.320  16.297  -6.824
  221   HD13  LEU  31          HD13      LEU  31   1.970  17.935  -6.752
  222   HD21  LEU  31          HD21      LEU  31  -1.514  19.251  -7.832
  223   HD22  LEU  31          HD22      LEU  31  -0.617  18.298  -9.015
  224   HD23  LEU  31          HD23      LEU  31   0.187  19.602  -8.139
  225    H    THR  32           H        THR  32  -3.199  14.763  -5.468
  226    HA   THR  32           HA       THR  32  -4.934  14.147  -7.736
  227    HB   THR  32           HB       THR  32  -3.338  12.420  -7.133
  228    HG1  THR  32           HG1      THR  32  -6.053  11.827  -6.521
  229   HG21  THR  32          HG21      THR  32  -2.863  11.796  -5.034
  230   HG22  THR  32          HG22      THR  32  -4.568  11.634  -4.610
  231   HG23  THR  32          HG23      THR  32  -3.785  13.211  -4.530
  232    H    LEU  33           H        LEU  33  -5.048  14.603  -4.250
  233    HA   LEU  33           HA       LEU  33  -7.914  15.014  -4.402
  234    HB2  LEU  33           HB2      LEU  33  -6.648  12.686  -3.084
  235    HB3  LEU  33           HB3      LEU  33  -7.947  13.489  -2.204
  236    HG   LEU  33           HG       LEU  33  -8.417  12.682  -5.036
  237   HD11  LEU  33          HD11      LEU  33  -8.189  10.510  -4.675
  238   HD12  LEU  33          HD12      LEU  33  -9.292  10.604  -3.302
  239   HD13  LEU  33          HD13      LEU  33  -7.562  10.847  -3.061
  240   HD21  LEU  33          HD21      LEU  33 -10.293  12.422  -2.722
  241   HD22  LEU  33          HD22      LEU  33 -10.648  12.695  -4.428
  242   HD23  LEU  33          HD23      LEU  33  -9.987  14.002  -3.444
  243    HN1  NH2  34           HN1      NH2  34  -6.858  15.628  -0.684
  244    HN2  NH2  34           HN2      NH2  34  -6.078  14.282  -1.435
  Start of MODEL   29
    1    H1   PCA   1           H1       PCA   1   3.366  -1.063   3.714
    2    HA   PCA   1           HA       PCA   1   4.848   1.075   3.066
    3    HB2  PCA   1           HB2      PCA   1   6.877   1.035   4.320
    4    HB3  PCA   1           HB3      PCA   1   6.694  -0.680   4.730
    5    HG2  PCA   1           HG2      PCA   1   4.970   1.650   5.720
    6    HG3  PCA   1           HG3      PCA   1   5.700   0.351   6.685
    7    HA   PRO   2           HA       PRO   2   4.674  -2.587   0.281
    8    HB2  PRO   2           HB2      PRO   2   3.161  -1.342  -1.598
    9    HB3  PRO   2           HB3      PRO   2   2.465  -2.199  -0.218
   10    HG2  PRO   2           HG2      PRO   2   2.927   0.735  -0.588
   11    HG3  PRO   2           HG3      PRO   2   1.516  -0.098   0.089
   12    HD2  PRO   2           HD2      PRO   2   3.405   1.065   1.642
   13    HD3  PRO   2           HD3      PRO   2   2.516  -0.387   2.146
   14    H    LEU   3           H        LEU   3   5.745  -2.830  -1.704
   15    HA   LEU   3           HA       LEU   3   7.808  -0.910  -2.201
   16    HB2  LEU   3           HB2      LEU   3   8.844  -2.629  -3.149
   17    HB3  LEU   3           HB3      LEU   3   7.477  -3.616  -2.635
   18    HG   LEU   3           HG       LEU   3   7.542  -2.231  -5.304
   19   HD11  LEU   3          HD11      LEU   3   8.298  -5.101  -4.873
   20   HD12  LEU   3          HD12      LEU   3   9.504  -3.815  -4.895
   21   HD13  LEU   3          HD13      LEU   3   8.501  -4.107  -6.315
   22   HD21  LEU   3          HD21      LEU   3   5.935  -4.045  -5.859
   23   HD22  LEU   3          HD22      LEU   3   5.358  -2.941  -4.610
   24   HD23  LEU   3          HD23      LEU   3   5.968  -4.536  -4.165
   25    HA   PRO   4           HA       PRO   4   6.176   1.449  -5.521
   26    HB2  PRO   4           HB2      PRO   4   8.196   1.497  -7.334
   27    HB3  PRO   4           HB3      PRO   4   8.259   2.377  -5.802
   28    HG2  PRO   4           HG2      PRO   4   9.480  -0.260  -6.523
   29    HG3  PRO   4           HG3      PRO   4  10.184   1.086  -5.607
   30    HD2  PRO   4           HD2      PRO   4   9.169  -1.120  -4.409
   31    HD3  PRO   4           HD3      PRO   4   9.106   0.488  -3.659
   32    H    ASP   5           H        ASP   5   4.839   1.139  -7.203
   33    HA   ASP   5           HA       ASP   5   4.677  -1.484  -8.395
   34    HB2  ASP   5           HB2      ASP   5   2.956   0.542  -9.586
   35    HB3  ASP   5           HB3      ASP   5   2.525  -0.955  -8.765
   36    H    CYS   6           H        CYS   6   5.281   1.823  -9.542
   37    HA   CYS   6           HA       CYS   6   5.590   1.225 -12.256
   38    HB2  CYS   6           HB2      CYS   6   6.050   3.422 -12.460
   39    HB3  CYS   6           HB3      CYS   6   5.673   3.509 -10.742
   40    H    CYS   7           H        CYS   7   7.485   0.274  -9.657
   41    HA   CYS   7           HA       CYS   7   9.972   0.134 -11.167
   42    HB2  CYS   7           HB2      CYS   7   9.893   0.758  -8.719
   43    HB3  CYS   7           HB3      CYS   7   9.435  -0.908  -8.383
   44    H    ARG   8           H        ARG   8   7.310  -1.872 -10.239
   45    HA   ARG   8           HA       ARG   8   8.667  -4.364 -10.735
   46    HB2  ARG   8           HB2      ARG   8   6.956  -4.583  -9.166
   47    HB3  ARG   8           HB3      ARG   8   5.848  -3.577 -10.089
   48    HG2  ARG   8           HG2      ARG   8   5.410  -5.309 -11.634
   49    HG3  ARG   8           HG3      ARG   8   6.754  -6.281 -11.031
   50    HD2  ARG   8           HD2      ARG   8   5.288  -5.935  -8.770
   51    HD3  ARG   8           HD3      ARG   8   4.022  -5.976  -9.996
   52    HE   ARG   8           HE       ARG   8   5.777  -8.106 -10.460
   53   HH11  ARG   8          HH11      ARG   8   3.433  -7.057  -8.109
   54   HH12  ARG   8          HH12      ARG   8   3.008  -8.665  -7.623
   55   HH21  ARG   8          HH21      ARG   8   5.226 -10.227  -9.829
   56   HH22  ARG   8          HH22      ARG   8   4.029 -10.467  -8.601
   57    H    GLN   9           H        GLN   9   6.526  -2.201 -12.491
   58    HA   GLN   9           HA       GLN   9   6.442  -4.024 -14.770
   59    HB2  GLN   9           HB2      GLN   9   5.117  -1.330 -14.413
   60    HB3  GLN   9           HB3      GLN   9   4.822  -2.468 -15.721
   61    HG2  GLN   9           HG2      GLN   9   4.376  -3.934 -13.406
   62    HG3  GLN   9           HG3      GLN   9   3.671  -2.351 -13.080
   63   HE21  GLN   9          HE21      GLN   9   1.733  -3.821 -13.048
   64   HE22  GLN   9          HE22      GLN   9   0.893  -4.038 -14.542
   65    H    LYS  10           H        LYS  10   8.381  -1.568 -13.616
   66    HA   LYS  10           HA       LYS  10  10.115  -0.394 -14.507
   67    HB2  LYS  10           HB2      LYS  10   9.653  -2.072 -16.979
   68    HB3  LYS  10           HB3      LYS  10  11.106  -1.160 -16.593
   69    HG2  LYS  10           HG2      LYS  10  11.679  -2.621 -14.835
   70    HG3  LYS  10           HG3      LYS  10  10.084  -3.377 -14.844
   71    HD2  LYS  10           HD2      LYS  10  11.025  -4.956 -16.122
   72    HD3  LYS  10           HD3      LYS  10  10.953  -3.764 -17.422
   73    HE2  LYS  10           HE2      LYS  10  13.169  -4.262 -17.526
   74    HE3  LYS  10           HE3      LYS  10  13.238  -2.989 -16.309
   75    HZ1  LYS  10           HZ1      LYS  10  12.817  -5.715 -15.358
   76    HZ2  LYS  10           HZ2      LYS  10  13.710  -4.454 -14.669
   77    HZ3  LYS  10           HZ3      LYS  10  14.356  -5.344 -15.955
   78    H    THR  11           H        THR  11   7.637   0.808 -14.585
   79    HA   THR  11           HA       THR  11   7.431   2.056 -17.228
   80    HB   THR  11           HB       THR  11   5.247   2.427 -16.824
   81    HG1  THR  11           HG1      THR  11   4.494   3.161 -14.743
   82   HG21  THR  11          HG21      THR  11   5.935   0.054 -15.806
   83   HG22  THR  11          HG22      THR  11   4.273   0.644 -15.793
   84   HG23  THR  11          HG23      THR  11   5.274   0.794 -14.349
   85    H    CYS  12           H        CYS  12   8.840   2.589 -14.221
   86    HA   CYS  12           HA       CYS  12   9.871   5.108 -14.921
   87    HB2  CYS  12           HB2      CYS  12   8.567   6.646 -13.867
   88    HB3  CYS  12           HB3      CYS  12   7.314   5.442 -14.151
   89    H    SER  13           H        SER  13  10.843   6.211 -12.853
   90    HA   SER  13           HA       SER  13  12.602   4.345 -11.688
   91    HB2  SER  13           HB2      SER  13  12.009   7.248 -11.207
   92    HB3  SER  13           HB3      SER  13  13.077   6.375 -10.108
   93    HG   SER  13           HG       SER  13  14.476   7.015 -11.591
   94    H    CYS  14           H        CYS  14  12.734   3.493  -9.628
   95    HA   CYS  14           HA       CYS  14  10.212   3.118  -8.284
   96    HB2  CYS  14           HB2      CYS  14  12.701   2.126  -7.021
   97    HB3  CYS  14           HB3      CYS  14  11.173   1.298  -7.305
   98    H    ARG  15           H        ARG  15  13.411   4.348  -7.300
   99    HA   ARG  15           HA       ARG  15  12.590   5.250  -4.762
  100    HB2  ARG  15           HB2      ARG  15  14.959   4.858  -5.494
  101    HB3  ARG  15           HB3      ARG  15  14.861   6.347  -6.424
  102    HG2  ARG  15           HG2      ARG  15  15.133   7.638  -4.618
  103    HG3  ARG  15           HG3      ARG  15  14.081   6.633  -3.619
  104    HD2  ARG  15           HD2      ARG  15  15.832   5.098  -3.165
  105    HD3  ARG  15           HD3      ARG  15  16.868   5.813  -4.400
  106    HE   ARG  15           HE       ARG  15  16.430   7.858  -2.674
  107   HH11  ARG  15          HH11      ARG  15  17.574   4.591  -2.306
  108   HH12  ARG  15          HH12      ARG  15  18.578   4.957  -0.942
  109   HH21  ARG  15          HH21      ARG  15  17.747   8.353  -0.879
  110   HH22  ARG  15          HH22      ARG  15  18.675   7.098  -0.131
  111    H    LEU  16           H        LEU  16  11.663   6.341  -7.736
  112    HA   LEU  16           HA       LEU  16  11.750   9.119  -7.574
  113    HB2  LEU  16           HB2      LEU  16  10.394   9.121  -9.389
  114    HB3  LEU  16           HB3      LEU  16  10.897   7.432  -9.428
  115    HG   LEU  16           HG       LEU  16   8.539   7.573  -9.873
  116   HD11  LEU  16          HD11      LEU  16   8.082   6.597  -7.231
  117   HD12  LEU  16          HD12      LEU  16   9.681   6.084  -7.770
  118   HD13  LEU  16          HD13      LEU  16   8.258   5.693  -8.736
  119   HD21  LEU  16          HD21      LEU  16   7.092   8.926  -8.825
  120   HD22  LEU  16          HD22      LEU  16   8.536   9.765  -8.256
  121   HD23  LEU  16          HD23      LEU  16   7.752   8.562  -7.231
  122    H    TYR  17           H        TYR  17   9.612   6.820  -6.038
  123    HA   TYR  17           HA       TYR  17   7.646   8.700  -5.206
  124    HB2  TYR  17           HB2      TYR  17   6.807   6.919  -3.786
  125    HB3  TYR  17           HB3      TYR  17   7.223   6.263  -5.365
  126    HD1  TYR  17           HD1      TYR  17   8.714   6.753  -1.975
  127    HD2  TYR  17           HD2      TYR  17   8.486   4.327  -5.463
  128    HE1  TYR  17           HE1      TYR  17  10.145   5.071  -0.892
  129    HE2  TYR  17           HE2      TYR  17   9.915   2.638  -4.389
  130    HH   TYR  17           HH       TYR  17  11.816   2.901  -2.291
  131    H    GLU  18           H        GLU  18  10.580   7.398  -3.749
  132    HA   GLU  18           HA       GLU  18  10.244   8.404  -1.159
  133    HB2  GLU  18           HB2      GLU  18  12.363   7.206  -2.709
  134    HB3  GLU  18           HB3      GLU  18  12.994   8.521  -1.728
  135    HG2  GLU  18           HG2      GLU  18  11.180   6.791  -0.258
  136    HG3  GLU  18           HG3      GLU  18  12.579   5.935  -0.905
  137    H    LEU  19           H        LEU  19  11.380   9.920  -4.104
  138    HA   LEU  19           HA       LEU  19  12.599  12.194  -3.068
  139    HB2  LEU  19           HB2      LEU  19  11.182  11.566  -5.613
  140    HB3  LEU  19           HB3      LEU  19  11.617  13.239  -5.272
  141    HG   LEU  19           HG       LEU  19  13.999  12.150  -4.861
  142   HD11  LEU  19          HD11      LEU  19  12.489   9.981  -5.906
  143   HD12  LEU  19          HD12      LEU  19  14.198  10.032  -5.475
  144   HD13  LEU  19          HD13      LEU  19  13.688  10.459  -7.108
  145   HD21  LEU  19          HD21      LEU  19  13.858  13.852  -6.424
  146   HD22  LEU  19          HD22      LEU  19  12.668  12.995  -7.404
  147   HD23  LEU  19          HD23      LEU  19  14.353  12.473  -7.406
  148    H    LEU  20           H        LEU  20   9.197  11.763  -4.035
  149    HA   LEU  20           HA       LEU  20   8.450  14.329  -2.961
  150    HB2  LEU  20           HB2      LEU  20   6.508  12.175  -3.697
  151    HB3  LEU  20           HB3      LEU  20   6.323  13.923  -3.811
  152    HG   LEU  20           HG       LEU  20   8.447  13.021  -5.535
  153   HD11  LEU  20          HD11      LEU  20   7.170  10.912  -5.522
  154   HD12  LEU  20          HD12      LEU  20   7.156  11.707  -7.095
  155   HD13  LEU  20          HD13      LEU  20   5.740  11.799  -6.049
  156   HD21  LEU  20          HD21      LEU  20   5.777  14.326  -6.056
  157   HD22  LEU  20          HD22      LEU  20   7.106  14.206  -7.210
  158   HD23  LEU  20          HD23      LEU  20   7.300  15.156  -5.736
  159    H    HIS  21           H        HIS  21   8.356  10.989  -1.929
  160    HA   HIS  21           HA       HIS  21   6.577  11.325   0.249
  161    HB2  HIS  21           HB2      HIS  21   8.486   9.236  -0.654
  162    HB3  HIS  21           HB3      HIS  21   8.018   9.205   1.044
  163    HD1  HIS  21           HD1      HIS  21   6.377   7.351   1.195
  164    HD2  HIS  21           HD2      HIS  21   5.650   9.813  -2.071
  165    HE1  HIS  21           HE1      HIS  21   4.227   6.518   0.191
  166    H    GLY  22           H        GLY  22   9.830  12.239  -0.233
  167    HA2  GLY  22           HA2      GLY  22  10.251  12.526   2.672
  168    HA3  GLY  22           HA3      GLY  22  11.533  12.466   1.471
  169    H    ALA  23           H        ALA  23  10.248  14.280  -0.377
  170    HA   ALA  23           HA       ALA  23  10.973  16.767   0.951
  171    HB1  ALA  23           HB1      ALA  23  10.139  16.957  -1.838
  172    HB2  ALA  23           HB2      ALA  23  11.634  17.481  -1.061
  173    HB3  ALA  23           HB3      ALA  23  11.447  15.803  -1.572
  174    H    GLY  24           H        GLY  24   8.222  15.050   0.743
  175    HA2  GLY  24           HA2      GLY  24   6.352  16.434   1.814
  176    HA3  GLY  24           HA3      GLY  24   6.500  17.412   0.361
  177    H    ASN  25           H        ASN  25   5.418  14.379   1.690
  178    HA   ASN  25           HA       ASN  25   4.658  13.123  -0.718
  179    HB2  ASN  25           HB2      ASN  25   4.864  11.862   1.353
  180    HB3  ASN  25           HB3      ASN  25   3.562  12.797   2.083
  181   HD21  ASN  25          HD21      ASN  25   2.097  11.234   2.426
  182   HD22  ASN  25          HD22      ASN  25   1.381  10.273   1.182
  183    H    HIS  26           H        HIS  26   3.151  15.563   1.251
  184    HA   HIS  26           HA       HIS  26   0.506  15.321   0.325
  185    HB2  HIS  26           HB2      HIS  26   2.101  17.504   1.602
  186    HB3  HIS  26           HB3      HIS  26   0.529  17.894   0.912
  187    HD1  HIS  26           HD1      HIS  26  -1.500  17.297   2.268
  188    HD2  HIS  26           HD2      HIS  26   1.981  15.584   3.755
  189    HE1  HIS  26           HE1      HIS  26  -2.140  16.286   4.480
  190    H    ALA  27           H        ALA  27   3.348  16.771  -1.063
  191    HA   ALA  27           HA       ALA  27   2.212  18.510  -2.916
  192    HB1  ALA  27           HB1      ALA  27   4.683  16.842  -3.354
  193    HB2  ALA  27           HB2      ALA  27   4.280  18.379  -4.121
  194    HB3  ALA  27           HB3      ALA  27   4.637  18.322  -2.395
  195    H    ALA  28           H        ALA  28   2.702  15.024  -3.065
  196    HA   ALA  28           HA       ALA  28   1.744  14.863  -5.793
  197    HB1  ALA  28           HB1      ALA  28   3.132  13.118  -5.672
  198    HB2  ALA  28           HB2      ALA  28   3.074  13.080  -3.910
  199    HB3  ALA  28           HB3      ALA  28   1.811  12.286  -4.851
  200    H    GLY  29           H        GLY  29   0.510  14.415  -2.554
  201    HA2  GLY  29           HA2      GLY  29  -1.852  12.998  -3.293
  202    HA3  GLY  29           HA3      GLY  29  -1.568  13.817  -1.764
  203    H    ILE  30           H        ILE  30  -1.050  16.403  -2.980
  204    HA   ILE  30           HA       ILE  30  -3.810  17.221  -3.315
  205    HB   ILE  30           HB       ILE  30  -1.234  18.736  -2.995
  206   HG12  ILE  30          HG12      ILE  30  -2.039  19.312  -0.891
  207   HG13  ILE  30          HG13      ILE  30  -3.720  19.075  -1.357
  208   HG21  ILE  30          HG21      ILE  30  -2.762  20.789  -2.983
  209   HG22  ILE  30          HG22      ILE  30  -2.336  20.093  -4.546
  210   HG23  ILE  30          HG23      ILE  30  -3.919  19.771  -3.840
  211   HD11  ILE  30          HD11      ILE  30  -3.308  16.638  -1.412
  212   HD12  ILE  30          HD12      ILE  30  -1.678  16.938  -0.807
  213   HD13  ILE  30          HD13      ILE  30  -3.077  17.360   0.180
  214    H    LEU  31           H        LEU  31  -0.793  17.336  -5.175
  215    HA   LEU  31           HA       LEU  31  -1.791  18.701  -7.411
  216    HB2  LEU  31           HB2      LEU  31   0.191  18.171  -8.466
  217    HB3  LEU  31           HB3      LEU  31   0.630  18.100  -6.761
  218    HG   LEU  31           HG       LEU  31   0.272  15.583  -6.939
  219   HD11  LEU  31          HD11      LEU  31  -0.386  16.395  -9.631
  220   HD12  LEU  31          HD12      LEU  31  -0.608  14.837  -8.837
  221   HD13  LEU  31          HD13      LEU  31   0.929  15.220  -9.612
  222   HD21  LEU  31          HD21      LEU  31   2.499  16.644  -8.656
  223   HD22  LEU  31          HD22      LEU  31   2.502  15.226  -7.608
  224   HD23  LEU  31          HD23      LEU  31   2.474  16.843  -6.904
  225    H    THR  32           H        THR  32  -1.974  15.347  -6.464
  226    HA   THR  32           HA       THR  32  -2.955  14.475  -9.043
  227    HB   THR  32           HB       THR  32  -1.579  12.964  -7.652
  228    HG1  THR  32           HG1      THR  32  -2.999  12.008  -9.131
  229   HG21  THR  32          HG21      THR  32  -2.778  13.813  -5.498
  230   HG22  THR  32          HG22      THR  32  -2.236  12.138  -5.590
  231   HG23  THR  32          HG23      THR  32  -3.934  12.532  -5.857
  232    H    LEU  33           H        LEU  33  -4.263  14.964  -5.783
  233    HA   LEU  33           HA       LEU  33  -6.789  14.015  -5.971
  234    HB2  LEU  33           HB2      LEU  33  -5.454  15.833  -4.333
  235    HB3  LEU  33           HB3      LEU  33  -6.885  16.695  -4.895
  236    HG   LEU  33           HG       LEU  33  -8.223  14.688  -4.086
  237   HD11  LEU  33          HD11      LEU  33  -5.863  13.448  -3.843
  238   HD12  LEU  33          HD12      LEU  33  -7.279  13.027  -2.881
  239   HD13  LEU  33          HD13      LEU  33  -6.033  14.075  -2.203
  240   HD21  LEU  33          HD21      LEU  33  -7.290  15.581  -1.581
  241   HD22  LEU  33          HD22      LEU  33  -8.698  16.143  -2.482
  242   HD23  LEU  33          HD23      LEU  33  -7.137  16.936  -2.699
  243    HN1  NH2  34           HN1      NH2  34  -6.550  17.275  -8.290
  244    HN2  NH2  34           HN2      NH2  34  -6.626  17.623  -6.600
  Start of MODEL   30
    1    H1   PCA   1           H1       PCA   1   3.946   3.089   3.333
    2    HA   PCA   1           HA       PCA   1   2.980   4.919   1.628
    3    HB2  PCA   1           HB2      PCA   1   4.795   6.117   0.649
    4    HB3  PCA   1           HB3      PCA   1   5.980   4.885   1.120
    5    HG2  PCA   1           HG2      PCA   1   4.439   6.775   2.975
    6    HG3  PCA   1           HG3      PCA   1   6.180   6.429   2.978
    7    HA   PRO   2           HA       PRO   2   2.441   1.473  -0.914
    8    HB2  PRO   2           HB2      PRO   2   2.288   2.615  -3.373
    9    HB3  PRO   2           HB3      PRO   2   1.014   2.775  -2.158
   10    HG2  PRO   2           HG2      PRO   2   3.190   4.697  -2.885
   11    HG3  PRO   2           HG3      PRO   2   1.477   5.018  -2.558
   12    HD2  PRO   2           HD2      PRO   2   3.417   5.449  -0.718
   13    HD3  PRO   2           HD3      PRO   2   1.771   4.953  -0.273
   14    H    LEU   3           H        LEU   3   3.448   0.052  -2.368
   15    HA   LEU   3           HA       LEU   3   6.292   0.279  -2.504
   16    HB2  LEU   3           HB2      LEU   3   6.280  -1.917  -3.004
   17    HB3  LEU   3           HB3      LEU   3   4.627  -1.809  -2.403
   18    HG   LEU   3           HG       LEU   3   4.329  -1.259  -5.077
   19   HD11  LEU   3          HD11      LEU   3   6.299  -3.525  -4.869
   20   HD12  LEU   3          HD12      LEU   3   6.731  -1.895  -5.384
   21   HD13  LEU   3          HD13      LEU   3   5.584  -2.843  -6.331
   22   HD21  LEU   3          HD21      LEU   3   3.875  -3.941  -4.951
   23   HD22  LEU   3          HD22      LEU   3   2.748  -2.699  -4.402
   24   HD23  LEU   3          HD23      LEU   3   3.822  -3.490  -3.246
   25    HA   PRO   4           HA       PRO   4   6.900   2.079  -6.460
   26    HB2  PRO   4           HB2      PRO   4   9.063   0.712  -7.368
   27    HB3  PRO   4           HB3      PRO   4   9.159   1.910  -6.072
   28    HG2  PRO   4           HG2      PRO   4   9.036  -1.075  -5.886
   29    HG3  PRO   4           HG3      PRO   4  10.053   0.062  -4.981
   30    HD2  PRO   4           HD2      PRO   4   7.802  -1.026  -3.941
   31    HD3  PRO   4           HD3      PRO   4   8.360   0.606  -3.516
   32    H    ASP   5           H        ASP   5   6.080   1.854  -8.459
   33    HA   ASP   5           HA       ASP   5   4.916  -0.667  -9.220
   34    HB2  ASP   5           HB2      ASP   5   4.977   1.566 -11.169
   35    HB3  ASP   5           HB3      ASP   5   3.637   0.533 -10.678
   36    H    CYS   6           H        CYS   6   7.448   1.465 -10.505
   37    HA   CYS   6           HA       CYS   6   8.104  -0.011 -12.775
   38    HB2  CYS   6           HB2      CYS   6  10.108   1.500 -11.099
   39    HB3  CYS   6           HB3      CYS   6  10.142   1.225 -12.838
   40    H    CYS   7           H        CYS   7   8.930  -0.509  -9.424
   41    HA   CYS   7           HA       CYS   7  11.056  -2.348  -9.858
   42    HB2  CYS   7           HB2      CYS   7   9.952  -1.054  -7.658
   43    HB3  CYS   7           HB3      CYS   7   9.599  -2.755  -7.370
   44    H    ARG   8           H        ARG   8   7.595  -2.618  -9.775
   45    HA   ARG   8           HA       ARG   8   7.567  -5.479  -9.459
   46    HB2  ARG   8           HB2      ARG   8   5.648  -4.422  -8.619
   47    HB3  ARG   8           HB3      ARG   8   5.475  -3.404 -10.042
   48    HG2  ARG   8           HG2      ARG   8   5.298  -6.144 -10.824
   49    HG3  ARG   8           HG3      ARG   8   4.193  -5.842  -9.482
   50    HD2  ARG   8           HD2      ARG   8   4.202  -3.759 -11.545
   51    HD3  ARG   8           HD3      ARG   8   3.650  -5.337 -12.105
   52    HE   ARG   8           HE       ARG   8   2.330  -4.838  -9.725
   53   HH11  ARG   8          HH11      ARG   8   2.547  -3.406 -12.891
   54   HH12  ARG   8          HH12      ARG   8   0.938  -2.765 -12.854
   55   HH21  ARG   8          HH21      ARG   8   0.210  -3.998  -9.664
   56   HH22  ARG   8          HH22      ARG   8  -0.390  -3.101 -11.018
   57    H    GLN   9           H        GLN   9   7.230  -3.183 -12.122
   58    HA   GLN   9           HA       GLN   9   7.039  -5.399 -14.026
   59    HB2  GLN   9           HB2      GLN   9   6.819  -2.442 -14.595
   60    HB3  GLN   9           HB3      GLN   9   6.362  -3.768 -15.657
   61    HG2  GLN   9           HG2      GLN   9   4.868  -4.250 -13.409
   62    HG3  GLN   9           HG3      GLN   9   4.875  -2.490 -13.510
   63   HE21  GLN   9          HE21      GLN   9   4.832  -1.984 -16.136
   64   HE22  GLN   9          HE22      GLN   9   3.401  -2.619 -16.866
   65    H    LYS  10           H        LYS  10   9.383  -3.580 -12.579
   66    HA   LYS  10           HA       LYS  10  11.555  -3.065 -13.040
   67    HB2  LYS  10           HB2      LYS  10  11.075  -5.592 -14.581
   68    HB3  LYS  10           HB3      LYS  10  12.632  -4.781 -14.689
   69    HG2  LYS  10           HG2      LYS  10  12.030  -4.923 -11.957
   70    HG3  LYS  10           HG3      LYS  10  11.614  -6.499 -12.635
   71    HD2  LYS  10           HD2      LYS  10  13.814  -6.776 -13.524
   72    HD3  LYS  10           HD3      LYS  10  14.243  -5.109 -13.132
   73    HE2  LYS  10           HE2      LYS  10  13.454  -6.113 -10.704
   74    HE3  LYS  10           HE3      LYS  10  14.246  -7.500 -11.451
   75    HZ1  LYS  10           HZ1      LYS  10  16.226  -6.235 -11.754
   76    HZ2  LYS  10           HZ2      LYS  10  15.751  -6.056 -10.140
   77    HZ3  LYS  10           HZ3      LYS  10  15.475  -4.807 -11.246
   78    H    THR  11           H        THR  11   9.798  -1.470 -14.437
   79    HA   THR  11           HA       THR  11  10.991  -1.245 -17.118
   80    HB   THR  11           HB       THR  11   9.068  -0.211 -17.897
   81    HG1  THR  11           HG1      THR  11   7.554   0.796 -16.497
   82   HG21  THR  11          HG21      THR  11   7.095  -1.445 -16.721
   83   HG22  THR  11          HG22      THR  11   8.378  -2.257 -15.825
   84   HG23  THR  11          HG23      THR  11   8.316  -2.380 -17.583
   85    H    CYS  12           H        CYS  12  11.069   0.099 -14.039
   86    HA   CYS  12           HA       CYS  12  12.813   2.204 -14.862
   87    HB2  CYS  12           HB2      CYS  12  11.416   3.944 -14.972
   88    HB3  CYS  12           HB3      CYS  12  10.062   2.834 -14.782
   89    H    SER  13           H        SER  13  13.338   3.647 -12.877
   90    HA   SER  13           HA       SER  13  14.285   1.973 -10.831
   91    HB2  SER  13           HB2      SER  13  13.970   4.981 -10.919
   92    HB3  SER  13           HB3      SER  13  14.835   4.116  -9.650
   93    HG   SER  13           HG       SER  13  15.468   4.279 -12.403
   94    H    CYS  14           H        CYS  14  13.674   1.738  -8.671
   95    HA   CYS  14           HA       CYS  14  10.819   1.984  -8.215
   96    HB2  CYS  14           HB2      CYS  14  12.564   0.946  -6.061
   97    HB3  CYS  14           HB3      CYS  14  11.050   0.307  -6.692
   98    H    ARG  15           H        ARG  15  13.819   3.361  -7.042
   99    HA   ARG  15           HA       ARG  15  12.716   4.681  -4.780
  100    HB2  ARG  15           HB2      ARG  15  15.176   4.158  -5.245
  101    HB3  ARG  15           HB3      ARG  15  15.164   5.568  -6.296
  102    HG2  ARG  15           HG2      ARG  15  15.262   6.991  -4.580
  103    HG3  ARG  15           HG3      ARG  15  14.073   6.086  -3.641
  104    HD2  ARG  15           HD2      ARG  15  15.848   5.645  -2.322
  105    HD3  ARG  15           HD3      ARG  15  16.163   4.392  -3.522
  106    HE   ARG  15           HE       ARG  15  17.394   6.793  -4.324
  107   HH11  ARG  15          HH11      ARG  15  17.683   4.274  -1.938
  108   HH12  ARG  15          HH12      ARG  15  19.396   4.461  -1.758
  109   HH21  ARG  15          HH21      ARG  15  19.649   7.048  -4.096
  110   HH22  ARG  15          HH22      ARG  15  20.513   6.040  -2.986
  111    H    LEU  16           H        LEU  16  12.056   5.132  -7.946
  112    HA   LEU  16           HA       LEU  16  12.216   7.867  -8.413
  113    HB2  LEU  16           HB2      LEU  16  11.032   7.441 -10.275
  114    HB3  LEU  16           HB3      LEU  16  11.334   5.764  -9.828
  115    HG   LEU  16           HG       LEU  16   8.829   7.228  -9.032
  116   HD11  LEU  16          HD11      LEU  16   9.604   6.099 -11.629
  117   HD12  LEU  16          HD12      LEU  16   8.358   7.280 -11.226
  118   HD13  LEU  16          HD13      LEU  16   8.043   5.558 -11.011
  119   HD21  LEU  16          HD21      LEU  16   8.518   4.435  -9.426
  120   HD22  LEU  16          HD22      LEU  16   8.379   5.358  -7.929
  121   HD23  LEU  16          HD23      LEU  16   9.940   4.691  -8.413
  122    H    TYR  17           H        TYR  17   9.816   6.007  -6.636
  123    HA   TYR  17           HA       TYR  17   7.913   8.070  -6.330
  124    HB2  TYR  17           HB2      TYR  17   6.944   6.686  -4.590
  125    HB3  TYR  17           HB3      TYR  17   7.439   5.666  -5.936
  126    HD1  TYR  17           HD1      TYR  17   8.639   6.900  -2.628
  127    HD2  TYR  17           HD2      TYR  17   8.748   3.790  -5.529
  128    HE1  TYR  17           HE1      TYR  17   9.955   5.512  -1.081
  129    HE2  TYR  17           HE2      TYR  17  10.064   2.393  -3.991
  130    HH   TYR  17           HH       TYR  17  10.263   2.787  -0.863
  131    H    GLU  18           H        GLU  18  10.734   7.116  -4.447
  132    HA   GLU  18           HA       GLU  18  10.292   8.688  -2.178
  133    HB2  GLU  18           HB2      GLU  18  12.332   7.024  -3.136
  134    HB3  GLU  18           HB3      GLU  18  13.097   8.586  -2.883
  135    HG2  GLU  18           HG2      GLU  18  11.356   7.469  -0.744
  136    HG3  GLU  18           HG3      GLU  18  12.978   6.815  -0.964
  137    H    LEU  19           H        LEU  19  11.578   9.502  -5.332
  138    HA   LEU  19           HA       LEU  19  12.749  11.966  -4.759
  139    HB2  LEU  19           HB2      LEU  19  11.436  10.846  -7.209
  140    HB3  LEU  19           HB3      LEU  19  12.063  12.493  -7.187
  141    HG   LEU  19           HG       LEU  19  14.273  11.313  -6.408
  142   HD11  LEU  19          HD11      LEU  19  12.589   9.089  -6.883
  143   HD12  LEU  19          HD12      LEU  19  14.296   9.100  -6.441
  144   HD13  LEU  19          HD13      LEU  19  13.826   9.105  -8.141
  145   HD21  LEU  19          HD21      LEU  19  13.364  11.090  -9.272
  146   HD22  LEU  19          HD22      LEU  19  15.016  11.271  -8.681
  147   HD23  LEU  19          HD23      LEU  19  13.866  12.598  -8.508
  148    H    LEU  20           H        LEU  20   9.438  11.308  -5.908
  149    HA   LEU  20           HA       LEU  20   8.630  14.036  -5.459
  150    HB2  LEU  20           HB2      LEU  20   6.810  13.529  -6.672
  151    HB3  LEU  20           HB3      LEU  20   7.761  12.118  -7.132
  152    HG   LEU  20           HG       LEU  20   6.486  11.219  -4.893
  153   HD11  LEU  20          HD11      LEU  20   4.247  12.516  -6.324
  154   HD12  LEU  20          HD12      LEU  20   5.191  13.528  -5.232
  155   HD13  LEU  20          HD13      LEU  20   4.406  12.070  -4.625
  156   HD21  LEU  20          HD21      LEU  20   5.362   9.792  -6.334
  157   HD22  LEU  20          HD22      LEU  20   6.754  10.294  -7.293
  158   HD23  LEU  20          HD23      LEU  20   5.176  11.028  -7.578
  159    H    HIS  21           H        HIS  21   8.577  11.054  -3.699
  160    HA   HIS  21           HA       HIS  21   6.548  11.818  -1.829
  161    HB2  HIS  21           HB2      HIS  21   8.513   9.576  -2.050
  162    HB3  HIS  21           HB3      HIS  21   7.744   9.876  -0.494
  163    HD1  HIS  21           HD1      HIS  21   5.681   8.574  -0.161
  164    HD2  HIS  21           HD2      HIS  21   6.366   9.361  -4.183
  165    HE1  HIS  21           HE1      HIS  21   3.814   7.429  -1.398
  166    H    GLY  22           H        GLY  22   9.800  12.662  -2.251
  167    HA2  GLY  22           HA2      GLY  22  10.037  13.474   0.578
  168    HA3  GLY  22           HA3      GLY  22  11.400  13.180  -0.493
  169    H    ALA  23           H        ALA  23  10.507  14.600  -2.747
  170    HA   ALA  23           HA       ALA  23  10.868  17.335  -1.762
  171    HB1  ALA  23           HB1      ALA  23  11.818  15.860  -4.051
  172    HB2  ALA  23           HB2      ALA  23  11.043  17.366  -4.542
  173    HB3  ALA  23           HB3      ALA  23  12.378  17.397  -3.391
  174    H    GLY  24           H        GLY  24   8.322  15.470  -2.353
  175    HA2  GLY  24           HA2      GLY  24   6.584  17.700  -2.861
  176    HA3  GLY  24           HA3      GLY  24   6.680  16.597  -4.225
  177    H    ASN  25           H        ASN  25   6.672  15.948  -0.732
  178    HA   ASN  25           HA       ASN  25   4.909  13.751  -0.986
  179    HB2  ASN  25           HB2      ASN  25   4.722  14.115   1.590
  180    HB3  ASN  25           HB3      ASN  25   6.267  13.625   0.900
  181   HD21  ASN  25          HD21      ASN  25   7.997  14.894   1.170
  182   HD22  ASN  25          HD22      ASN  25   7.975  16.437   1.946
  183    H    HIS  26           H        HIS  26   4.433  17.131  -0.097
  184    HA   HIS  26           HA       HIS  26   1.750  16.930   0.725
  185    HB2  HIS  26           HB2      HIS  26   3.592  18.932   0.689
  186    HB3  HIS  26           HB3      HIS  26   2.532  19.435  -0.624
  187    HD1  HIS  26           HD1      HIS  26   1.869  21.474   0.926
  188    HD2  HIS  26           HD2      HIS  26   0.722  17.731   2.318
  189    HE1  HIS  26           HE1      HIS  26   0.161  21.917   2.717
  190    H    ALA  27           H        ALA  27   3.228  17.100  -2.421
  191    HA   ALA  27           HA       ALA  27   1.083  17.961  -3.973
  192    HB1  ALA  27           HB1      ALA  27   3.622  17.214  -4.505
  193    HB2  ALA  27           HB2      ALA  27   2.737  15.832  -5.153
  194    HB3  ALA  27           HB3      ALA  27   2.385  17.458  -5.739
  195    H    ALA  28           H        ALA  28   1.809  14.785  -2.648
  196    HA   ALA  28           HA       ALA  28  -0.408  13.542  -4.045
  197    HB1  ALA  28           HB1      ALA  28   0.326  11.493  -3.108
  198    HB2  ALA  28           HB2      ALA  28   1.777  12.382  -3.573
  199    HB3  ALA  28           HB3      ALA  28   1.286  12.318  -1.880
  200    H    GLY  29           H        GLY  29   0.329  14.809  -0.865
  201    HA2  GLY  29           HA2      GLY  29  -1.830  13.632   0.533
  202    HA3  GLY  29           HA3      GLY  29  -0.955  15.076   1.020
  203    H    ILE  30           H        ILE  30  -1.549  16.622  -1.314
  204    HA   ILE  30           HA       ILE  30  -4.260  17.407  -0.612
  205    HB   ILE  30           HB       ILE  30  -2.107  18.714  -2.258
  206   HG12  ILE  30          HG12      ILE  30  -1.945  20.252  -0.519
  207   HG13  ILE  30          HG13      ILE  30  -3.579  19.930   0.053
  208   HG21  ILE  30          HG21      ILE  30  -4.101  20.586  -2.038
  209   HG22  ILE  30          HG22      ILE  30  -3.718  19.656  -3.485
  210   HG23  ILE  30          HG23      ILE  30  -4.991  19.107  -2.396
  211   HD11  ILE  30          HD11      ILE  30  -2.901  17.869   1.035
  212   HD12  ILE  30          HD12      ILE  30  -1.304  17.982   0.295
  213   HD13  ILE  30          HD13      ILE  30  -1.774  19.122   1.555
  214    H    LEU  31           H        LEU  31  -2.447  16.249  -3.408
  215    HA   LEU  31           HA       LEU  31  -4.356  16.581  -5.393
  216    HB2  LEU  31           HB2      LEU  31  -2.121  14.658  -4.961
  217    HB3  LEU  31           HB3      LEU  31  -3.244  14.374  -6.290
  218    HG   LEU  31           HG       LEU  31  -1.724  16.952  -5.954
  219   HD11  LEU  31          HD11      LEU  31  -0.747  15.314  -8.087
  220   HD12  LEU  31          HD12      LEU  31  -0.635  14.435  -6.563
  221   HD13  LEU  31          HD13      LEU  31   0.129  16.015  -6.726
  222   HD21  LEU  31          HD21      LEU  31  -3.880  16.543  -7.442
  223   HD22  LEU  31          HD22      LEU  31  -2.680  15.881  -8.552
  224   HD23  LEU  31          HD23      LEU  31  -2.540  17.549  -7.994
  225    H    THR  32           H        THR  32  -4.026  14.030  -2.987
  226    HA   THR  32           HA       THR  32  -6.355  12.632  -4.059
  227    HB   THR  32           HB       THR  32  -4.485  11.228  -3.405
  228    HG1  THR  32           HG1      THR  32  -6.296  10.108  -3.015
  229   HG21  THR  32          HG21      THR  32  -4.113  13.041  -1.359
  230   HG22  THR  32          HG22      THR  32  -3.278  11.497  -1.536
  231   HG23  THR  32          HG23      THR  32  -4.718  11.610  -0.525
  232    H    LEU  33           H        LEU  33  -5.345  14.482  -1.244
  233    HA   LEU  33           HA       LEU  33  -6.595  15.636   0.285
  234    HB2  LEU  33           HB2      LEU  33  -8.364  15.296  -1.811
  235    HB3  LEU  33           HB3      LEU  33  -9.230  14.634  -0.426
  236    HG   LEU  33           HG       LEU  33  -8.712  16.843   0.742
  237   HD11  LEU  33          HD11      LEU  33  -8.580  18.201  -1.843
  238   HD12  LEU  33          HD12      LEU  33  -7.127  17.292  -1.432
  239   HD13  LEU  33          HD13      LEU  33  -7.727  18.537  -0.336
  240   HD21  LEU  33          HD21      LEU  33 -10.726  17.716   0.048
  241   HD22  LEU  33          HD22      LEU  33 -10.886  16.033  -0.456
  242   HD23  LEU  33          HD23      LEU  33 -10.461  17.272  -1.639
  243    HN1  NH2  34           HN1      NH2  34  -9.159  12.946   0.491
  244    HN2  NH2  34           HN2      NH2  34  -7.801  11.880   0.465