*HEADER    GROWTH FACTOR                           29-DEC-94   1IGL    
*COMPND    INSULIN-LIKE GROWTH FACTOR II (IGF-II, IGF-2)               
*COMPND   2 (NMR, 20 STRUCTURES)                                       
*SOURCE    HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN          
*SOURCE   2 (ESCHERICHIA COLI)                                         
*AUTHOR    A.M.TORRES,B.E.FORBES,S.E.APLIN,J.C.WALLACE,G.L.FRANCIS,    
*AUTHOR   2 R.S.NORTON                                                 
*REVDAT   1   14-FEB-95 1IGL    0                                      

NOE restraints, followed by dihedral angle restraints (in X-PLOR format).

NOE-based restraints:

 !  2 TYR  
 assign (resid  2 and name   HN) (resid  2 and name  HB1) 0 -1.78 4.00
 assign (resid  2 and name   HN) (resid  2 and name  HB2) 0 -1.78 4.00
 assign (resid  2 and name   HN) (resid  3 and name   HN) 0 -1.78 5.00
 assign (resid  2 and name  HB1) (resid  3 and name   HN) 0 -1.78 4.00
 assign (resid  2 and name  HB2) (resid  3 and name   HN) 0 -1.78 4.00
 assign (resid  2 and name  HE#) (resid 53 and name HD1#) 0 -1.78 8.23
 !  4 PRO  
 assign (resid  4 and name   HA) (resid  5 and name   HN) 0 -1.78 3.00
 assign (resid  4 and name  HG#) (resid  5 and name   HN) 0 -1.78 4.88
 assign (resid  4 and name  HD1) (resid  5 and name   HN) 0 -1.78 5.00
 assign (resid  4 and name  HD2) (resid  5 and name   HN) 0 -1.78 5.00
 !  5 SER  
 assign (resid  5 and name   HN) (resid  5 and name  HB#) 0 -1.78 3.00
 assign (resid  5 and name   HN) (resid  6 and name   HN) 0 -1.78 5.00
 assign (resid  5 and name  HB#) (resid  6 and name   HN) 0 -1.78 4.00
 !  6 GLU- 
 assign (resid  6 and name   HN) (resid  6 and name  HB1) 0 -1.78 4.00
 assign (resid  6 and name   HN) (resid  6 and name  HB2) 0 -1.78 4.00
 assign (resid  6 and name   HN) (resid  6 and name  HG#) 0 -1.78 4.88
 assign (resid  6 and name   HN) (resid  7 and name   HN) 0 -1.78 5.00
 assign (resid  6 and name   HA) (resid  7 and name   HN) 0 -1.78 3.00
 assign (resid  6 and name  HB1) (resid  7 and name   HN) 0 -1.78 4.00
 assign (resid  6 and name  HB2) (resid  7 and name   HN) 0 -1.78 4.00
 assign (resid  6 and name  HB2) (resid  8 and name HD1#) 0 -1.78 5.00
 assign (resid  6 and name  HB2) (resid  8 and name HD2#) 0 -1.78 5.00
 assign (resid  6 and name  HG2) (resid  8 and name HD1#) 0 -1.78 5.00
 assign (resid  6 and name  HG2) (resid  8 and name HD2#) 0 -1.78 5.00
 assign (resid  6 and name  HG#) (resid  7 and name   HN) 0 -1.78 4.88
 !  7 THR  
 assign (resid  7 and name   HA) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid  7 and name   HB) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid  7 and name HG2#) (resid  8 and name   HN) 0 -1.78 5.00
 !  8 LEU  
 assign (resid  8 and name   HN) (resid  8 and name   HG) 0 -1.78 5.00
 assign (resid  8 and name   HN) (resid  8 and name  HD#) 0 -1.78 6.57
 assign (resid  8 and name HD1#) (resid 12 and name  HG1) 0 -1.78 7.85
 assign (resid  8 and name HD1#) (resid 12 and name  HG2) 0 -1.78 7.85
 assign (resid  8 and name HD1#) (resid 13 and name   HA) 0 -1.78 6.10
 assign (resid  8 and name HD1#) (resid 13 and name HD1#) 0 -1.78 7.20
 assign (resid  8 and name HD1#) (resid 13 and name HD2#) 0 -1.78 7.20
 assign (resid  8 and name HD1#) (resid 46 and name  HB1) 0 -1.78 7.85
 assign (resid  8 and name HD1#) (resid 46 and name  HB2) 0 -1.78 7.85
 assign (resid  8 and name HD2#) (resid 13 and name   HA) 0 -1.78 6.10
 assign (resid  8 and name HD2#) (resid 46 and name  HB1) 0 -1.78 7.85
 assign (resid  8 and name HD2#) (resid 46 and name  HB2) 0 -1.78 7.85
 assign (resid  8 and name  HD#) (resid  9 and name   HN) 0 -1.78 6.57
 assign (resid  8 and name  HD#) (resid 12 and name  HG#) 0 -1.78 6.33
 assign (resid  8 and name  HD#) (resid 13 and name   HN) 0 -1.78 7.67
 assign (resid  8 and name  HD#) (resid 46 and name  HB#) 0 -1.78 6.80
 !  9 CYS  
 assign (resid  9 and name   HA) (resid 13 and name HD1#) 0 -1.78 6.10
 assign (resid  9 and name   HA) (resid 13 and name HD2#) 0 -1.78 6.10
 assign (resid  9 and name   HN) (resid  9 and name  HB1) 0 -1.78 4.00
 assign (resid  9 and name   HN) (resid  9 and name  HB2) 0 -1.78 4.00
 assign (resid  9 and name   HA) (resid 13 and name  HB1) 0 -1.78 5.00
 assign (resid  9 and name   HA) (resid 13 and name  HB2) 0 -1.78 5.00
 assign (resid  9 and name   CB) (resid 47 and name   SG) 0 -3.00 3.10
 assign (resid  9 and name  HB1) (resid 10 and name   HN) 0 -1.78 4.00
 assign (resid  9 and name  HB1) (resid 13 and name HD1#) 0 -1.78 7.85
 assign (resid  9 and name  HB1) (resid 13 and name HD2#) 0 -1.78 7.85
 assign (resid  9 and name  HB2) (resid 10 and name   HN) 0 -1.78 4.00
 assign (resid  9 and name  HB2) (resid 13 and name HD1#) 0 -1.78 7.85
 assign (resid  9 and name  HB2) (resid 13 and name HD2#) 0 -1.78 7.85
 assign (resid  9 and name  HB#) (resid 13 and name  HD#) 0 -1.78 6.80
 assign (resid  9 and name   SG) (resid 47 and name   CB) 0 -3.00 3.10
 assign (resid  9 and name   SG) (resid 47 and name   SG) 0 -2.00 2.10
 ! 10 GLY  
 assign (resid 10 and name   HN) (resid 11 and name   HN) 0 -1.78 5.00
 assign (resid 10 and name   HN) (resid 13 and name   HG) 0 -1.78 5.00
 assign (resid 10 and name   HN) (resid 13 and name HD1#) 0 -1.78 6.10
 assign (resid 10 and name   HN) (resid 13 and name HD2#) 0 -1.78 6.10
 ! 11 GLY  
 assign (resid 11 and name   HN) (resid 12 and name   HN) 0 -1.78 5.00
 assign (resid 11 and name  HA1) (resid 14 and name  HG#) 0 -1.78 7.10
 assign (resid 11 and name  HA2) (resid 14 and name  HG#) 0 -1.78 7.10
 assign (resid 11 and name  HA2) (resid 14 and name   HB) 0 -1.78 5.00
 ! 12 GLU- 
 assign (resid 12 and name   HN) (resid 12 and name  HG#) 0 -1.78 4.88
 assign (resid 12 and name   HN) (resid 13 and name   HN) 0 -1.78 5.00
 assign (resid 12 and name   HA) (resid 15 and name  HB1) 0 -1.78 5.00
 assign (resid 12 and name   HA) (resid 15 and name  HB2) 0 -1.78 5.00
 ! 13 LEU  
 assign (resid 13 and name   HA) (resid 16 and name   HB) 0 -1.78 5.00
 assign (resid 13 and name   HG) (resid 14 and name   HA) 0 -1.78 5.00
 assign (resid 13 and name   HG) (resid 17 and name HD1#) 0 -1.78 6.10
 assign (resid 13 and name   HG) (resid 17 and name HD2#) 0 -1.78 6.10
 assign (resid 13 and name   HG) (resid 42 and name HD1#) 0 -1.78 6.10
 assign (resid 13 and name HD1#) (resid 46 and name  HB1) 0 -1.78 6.10
 assign (resid 13 and name HD1#) (resid 46 and name  HB2) 0 -1.78 6.10
 assign (resid 13 and name HD2#) (resid 46 and name  HB1) 0 -1.78 6.10
 assign (resid 13 and name HD2#) (resid 46 and name  HB2) 0 -1.78 6.10
 ! 14 VAL  
 assign (resid 14 and name   HN) (resid 15 and name   HN) 0 -1.78 5.00
 assign (resid 14 and name   HA) (resid 17 and name  HB#) 0 -1.78 5.88
 assign (resid 14 and name   HA) (resid 17 and name HD1#) 0 -1.78 6.10
 assign (resid 14 and name   HA) (resid 17 and name HD2#) 0 -1.78 6.10
 assign (resid 14 and name   HA) (resid 42 and name HD1#) 0 -1.78 6.10
 assign (resid 14 and name   HA) (resid 17 and name   HG) 0 -1.78 6.10
 ! 15 ASP- 
 assign (resid 15 and name   HN) (resid 15 and name  HB1) 0 -1.78 4.00
 assign (resid 15 and name   HN) (resid 15 and name  HB2) 0 -1.78 4.00
 assign (resid 15 and name   HN) (resid 16 and name   HN) 0 -1.78 5.00
 assign (resid 15 and name   HA) (resid 18 and name  HB#) 0 -1.78 5.88
 assign (resid 15 and name   HA) (resid 18 and name  HG1) 0 -1.78 5.00
 assign (resid 15 and name   HA) (resid 18 and name  HG2) 0 -1.78 5.00
 assign (resid 15 and name   HA) (resid 18 and name  HB1) 0 -1.78 5.00
 assign (resid 15 and name   HA) (resid 18 and name  HB2) 0 -1.78 5.00
 assign (resid 15 and name  HB1) (resid 12 and name  HG2) 0 -1.78 5.00
 assign (resid 15 and name  HB2) (resid 12 and name  HG1) 0 -1.78 5.00
 assign (resid 15 and name  HB2) (resid 12 and name  HG2) 0 -1.78 5.00
 assign (resid 15 and name  HB2) (resid 18 and name  HB1) 0 -1.78 5.00
 assign (resid 15 and name  HB2) (resid 18 and name  HB2) 0 -1.78 5.00
 ! 16 THR  
 assign (resid 16 and name   HN) (resid 17 and name   HN) 0 -1.78 5.00
 assign (resid 16 and name   HN) (resid 13 and name   HA) 0 -1.78 5.00
 assign (resid 16 and name HG2#) (resid 13 and name HD1#) 0 -1.78 7.20
 assign (resid 16 and name HG2#) (resid 13 and name HD2#) 0 -1.78 7.20
 ! 17 LEU  
 assign (resid 17 and name   HN) (resid 17 and name HD1#) 0 -1.78 4.00
 assign (resid 17 and name   HN) (resid 17 and name HD2#) 0 -1.78 4.00
 assign (resid 17 and name   HN) (resid 26 and name  HD#) 0 -1.78 7.13
 assign (resid 17 and name   HN) (resid 56 and name HD1#) 0 -1.78 7.13
 assign (resid 17 and name   HN) (resid 26 and name  HD#) 0 -1.78 7.13
 assign (resid 17 and name   HA) (resid 20 and name   HN) 0 -1.78 5.00
 assign (resid 17 and name   HA) (resid 20 and name   HB) 0 -1.78 5.00
 assign (resid 17 and name   HA) (resid 20 and name HG1#) 0 -1.78 6.10
 assign (resid 17 and name   HA) (resid 20 and name HG2#) 0 -1.78 6.10
 assign (resid 17 and name   HA) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid 17 and name   HA) (resid 56 and name   HA) 0 -1.78 5.00
 assign (resid 17 and name  HB#) (resid 26 and name  HD#) 0 -1.78 8.01
 assign (resid 17 and name   HG) (resid 26 and name  HD#) 0 -1.78 7.13
 assign (resid 17 and name HD1#) (resid 21 and name   HN) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 21 and name  HB2) 0 -1.78 7.85
 assign (resid 17 and name HD1#) (resid 26 and name  HB1) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 26 and name  HB2) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 26 and name  HD#) 0 -1.78 8.23
 assign (resid 17 and name HD1#) (resid 42 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 56 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 56 and name   HG) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 59 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD1#) (resid 59 and name  HB1) 0 -1.78 7.85
 assign (resid 17 and name HD1#) (resid 59 and name  HB2) 0 -1.78 7.85
 assign (resid 17 and name HD1#) (resid 13 and name HD1#) 0 -1.78 7.20
 assign (resid 17 and name HD1#) (resid 13 and name HD2#) 0 -1.78 7.20
 assign (resid 17 and name HD1#) (resid 13 and name   HG) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 21 and name   HN) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 21 and name  HB2) 0 -1.78 7.85
 assign (resid 17 and name HD2#) (resid 26 and name  HB1) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 26 and name  HB2) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 26 and name  HD#) 0 -1.78 8.23
 assign (resid 17 and name HD2#) (resid 42 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 56 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 56 and name   HG) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 59 and name   HA) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 59 and name  HB1) 0 -1.78 7.85
 assign (resid 17 and name HD2#) (resid 59 and name  HB2) 0 -1.78 7.85
 assign (resid 17 and name  HD#) (resid 26 and name   HA) 0 -1.78 7.67
 assign (resid 17 and name  HD#) (resid 59 and name  HB#) 0 -1.78 6.80
 ! 18 GLN  
 assign (resid 18 and name   HN) (resid 26 and name  HE#) 0 -1.78 7.13
 assign (resid 18 and name   HA) (resid 21 and name  HB1) 0 -1.78 5.00
 assign (resid 18 and name   HA) (resid 21 and name  HB2) 0 -1.78 5.00
 assign (resid 18 and name  HB#) (resid 26 and name  HD#) 0 -1.78 8.01
 ! 19 PHE  
 assign (resid 19 and name   HZ) (resid  6 and name  HG1) 0 -1.78 7.13
 assign (resid 19 and name   HZ) (resid  6 and name  HG2) 0 -1.78 7.13
 assign (resid 19 and name  HD#) (resid  8 and name HD1#) 0 -1.78 8.23
 assign (resid 19 and name  HD#) (resid  8 and name HD2#) 0 -1.78 8.23
 assign (resid 19 and name  HE#) (resid 53 and name   HA) 0 -1.78 7.13
 assign (resid 19 and name  HE#) (resid 56 and name HD1#) 0 -1.78 8.23
 assign (resid 19 and name  HE#) (resid  8 and name HD1#) 0 -1.78 8.23
 assign (resid 19 and name  HE#) (resid  8 and name HD2#) 0 -1.78 8.23
 assign (resid 19 and name  HE#) (resid 56 and name HD2#) 0 -1.78 8.23
 assign (resid 19 and name  HE#) (resid 57 and name  HA) 0 -1.78  7.13
 ! 20 VAL  
 assign (resid 20 and name   HN) (resid 17 and name   HA) 0 -1.78 5.00
 assign (resid 20 and name   HN) (resid 17 and name  HB2) 0 -1.78 5.00
 assign (resid 20 and name   HN) (resid 16 and name   HA) 0 -1.78 5.00
 assign (resid 20 and name   HN) (resid 20 and name   HB) 0 -1.78 3.00
 assign (resid 20 and name   HN) (resid 20 and name HG1#) 0 -1.78 4.00
 assign (resid 20 and name   HN) (resid 20 and name HG2#) 0 -1.78 4.00
 assign (resid 20 and name   HN) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid 20 and name   HN) (resid 53 and name HD1#) 0 -1.78 6.10
 assign (resid 20 and name   HN) (resid 53 and name HD2#) 0 -1.78 6.10
 assign (resid 20 and name HG1#) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid 20 and name HG2#) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid 20 and name  HG#) (resid 57 and name   HA) 0 -1.78 7.66
 assign (resid 20 and name  HG#) (resid 57 and name  HG#) 0 -1.78 8.54
 ! 21 CYS  
 assign (resid 21 and name   HN) (resid 21 and name  HB1) 0 -1.78 4.00
 assign (resid 21 and name   HN) (resid 21 and name  HB2) 0 -1.78 4.00
 assign (resid 21 and name   HN) (resid 22 and name   HN) 0 -1.78 5.00
 assign (resid 21 and name   HN) (resid 18 and name   HA) 0 -1.78 5.00
 assign (resid 21 and name   HA) (resid 24 and name  HD#) 0 -1.78 5.88
 assign (resid 21 and name   HA) (resid 26 and name  HE#) 0 -1.78 7.13
 assign (resid 21 and name   CB) (resid 60 and name   SG) 0 -3.00 3.10
 assign (resid 21 and name  HB1) (resid 22 and name   HN) 0 -1.78 4.00
 assign (resid 21 and name  HB2) (resid 22 and name   HN) 0 -1.78 4.00
 assign (resid 21 and name  HB#) (resid 26 and name  HE#) 0 -1.78 8.01
 assign (resid 21 and name  HB#) (resid 56 and name   HA) 0 -1.78 5.88
 assign (resid 21 and name   SG) (resid 60 and name   CB) 0 -3.00 3.10
 assign (resid 21 and name   SG) (resid 60 and name   SG) 0 -2.00 2.10
 ! 22 GLY  
 assign (resid 22 and name   HN) (resid 23 and name   HN) 0 -1.78 5.00
 assign (resid 22 and name   HN) (resid 20 and name   HA) 0 -1.78 5.00
 assign (resid 22 and name   HN) (resid 24 and name   HN) 0 -1.78 5.00
 assign (resid 22 and name  HA1) (resid 23 and name   HN) 0 -1.78 3.00
 assign (resid 22 and name  HA2) (resid 23 and name   HN) 0 -1.78 3.00
 ! 23 ASP- 
 assign (resid 23 and name   HN) (resid 23 and name  HB1) 0 -1.78 4.00
 assign (resid 23 and name   HN) (resid 25 and name   HN) 0 -1.78 5.00
 assign (resid 23 and name   HN) (resid 23 and name  HB2) 0 -1.78 4.00
 assign (resid 23 and name   HN) (resid 24 and name   HN) 0 -1.78 5.00
 ! 24 ARG+ 
 assign (resid 24 and name   HN) (resid 24 and name  HB1) 0 -1.78 4.00
 assign (resid 24 and name   HN) (resid 24 and name  HB2) 0 -1.78 4.00
 assign (resid 24 and name   HN) (resid 24 and name  HG1) 0 -1.78 4.00
 assign (resid 24 and name   HN) (resid 24 and name  HG2) 0 -1.78 4.00
 assign (resid 24 and name   HN) (resid 24 and name  HD#) 0 -1.78 4.88
 assign (resid 24 and name   HN) (resid 25 and name   HN) 0 -1.78 5.00
 assign (resid 24 and name   HN) (resid 25 and name  HA1) 0 -1.78 4.00
 assign (resid 24 and name   HN) (resid 25 and name  HA2) 0 -1.78 4.00
 assign (resid 24 and name  HB#) (resid 62 and name HG2#) 0 -1.78 6.98
 assign (resid 24 and name  HG#) (resid 62 and name HG2#) 0 -1.78 6.98
 assign (resid 24 and name  HG#) (resid 61 and name  HB#) 0 -1.78 6.10
 assign (resid 24 and name  HD#) (resid 62 and name HG2#) 0 -1.78 6.98
 assign (resid 24 and name   HE) (resid 60 and name  HB#) 0 -1.78 5.88
 assign (resid 24 and name   HE) (resid 62 and name   HA) 0 -1.78 5.00
 assign (resid 24 and name   HE) (resid 62 and name HG2#) 0 -1.78 6.10
 assign (resid 24 and name   HE) (resid 64 and name  HB#) 0 -1.78 6.10
 ! 25 GLY  
 assign (resid 25 and name  HA1) (resid 26 and name   HN) 0 -1.78 3.00
 assign (resid 25 and name  HA1) (resid 26 and name  HE#) 0 -1.78 7.13
 assign (resid 25 and name  HA2) (resid 26 and name   HN) 0 -1.78 3.00
 assign (resid 25 and name  HA2) (resid 26 and name  HE#) 0 -1.78 7.13
 assign (resid 25 and name  HA1) (resid 61 and name  HB#) 0 -1.78 6.10
 assign (resid 25 and name  HA2) (resid 61 and name  HB#) 0 -1.78 6.10
 ! 26 PHE  
 assign (resid 26 and name   HN) (resid 61 and name  HB#) 0 -1.78 6.10
 assign (resid 26 and name   HA) (resid 17 and name HD1#) 0 -1.78 6.10
 assign (resid 26 and name   HA) (resid 17 and name HD2#) 0 -1.78 6.10
 assign (resid 26 and name   HA) (resid 27 and name   HN) 0 -1.78 3.00
 assign (resid 26 and name   HA) (resid 61 and name  HB#) 0 -1.78 6.10
 assign (resid 26 and name  HD#) (resid 27 and name   HN) 0 -1.78 7.13
 assign (resid 26 and name  HE#) (resid 27 and name   HN) 0 -1.78 7.13
 assign (resid 26 and name  HE#) (resid 27 and name   HA) 0 -1.78 7.13
 assign (resid 26 and name  HE#) (resid 18 and name   HN) 0 -1.78 7.13
 assign (resid 26 and name  HD#) (resid 42 and name HD1#) 0 -1.78 8.23
 assign (resid 26 and name  HE#) (resid 42 and name HD1#) 0 -1.78 8.23
 assign (resid 26 and name  HE#) (resid 14 and name  HG#) 0 -1.78 9.23
 assign (resid 26 and name  HD#) (resid 14 and name  HG#) 0 -1.78 9.23
 ! 27 TYR  
 assign (resid 27 and name   HN) (resid 27 and name  HB1) 0 -1.78 4.00
 assign (resid 27 and name   HN) (resid 27 and name  HB2) 0 -1.78 4.00
 assign (resid 27 and name   HN) (resid 61 and name   HA) 0 -1.78 5.00
 assign (resid 27 and name   HN) (resid 61 and name   HN) 0 -1.78 5.00
 assign (resid 27 and name   HA) (resid 29 and name   HN) 0 -1.78 4.00
 assign (resid 27 and name  HB1) (resid 28 and name   HN) 0 -1.78 4.00
 assign (resid 27 and name  HB2) (resid 28 and name   HN) 0 -1.78 4.00
 assign (resid 27 and name  HB#) (resid 29 and name   HN) 0 -1.78 4.88
 assign (resid 27 and name   HN) (resid 17 and name HD1#) 0 -1.78 6.10
 assign (resid 27 and name   HN) (resid 17 and name HD2#) 0 -1.78 6.10
 assign (resid 27 and name  HE#) (resid 61 and name   HN) 0 -1.78 7.13
 assign (resid 27 and name  HE#) (resid 61 and name   HA) 0 -1.78 7.13
 assign (resid 27 and name  HE#) (resid 61 and name  HB#) 0 -1.78 8.23
 assign (resid 27 and name  HE#) (resid 64 and name  HB#) 0 -1.78 8.23
 assign (resid 27 and name  HE#) (resid 65 and name  HG1) 0 -1.78 7.13
 assign (resid 27 and name  HD#) (resid 64 and name  HB#) 0 -1.78 8.23
 assign (resid 27 and name  HD#) (resid 61 and name   HA) 0 -1.78 7.13
 assign (resid 27 and name  HD#) (resid 61 and name  HB#) 0 -1.78 8.23
 assign (resid 27 and name  HD#) (resid 62 and name   HN) 0 -1.78 7.13
 assign (resid 27 and name  HE#) (resid 62 and name   HN) 0 -1.78 7.13
 ! 28 PHE  
 assign (resid 28 and name   HN) (resid 28 and name  HB1) 0 -1.78 4.00
 assign (resid 28 and name   HN) (resid 28 and name  HB2) 0 -1.78 4.00
 assign (resid 28 and name   HN) (resid 29 and name   HN) 0 -1.78 5.00
 assign (resid 28 and name   HN) (resid 30 and name   HN) 0 -1.78 5.00
 assign (resid 28 and name   HN) (resid 42 and name HD1#) 0 -1.78 6.10
 assign (resid 28 and name   HA) (resid 42 and name HG2#) 0 -1.78 6.10
 assign (resid 28 and name   HA) (resid 42 and name HD1#) 0 -1.78 6.10
 assign (resid 28 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 ! 29 SER  
 assign (resid 29 and name   HN) (resid 29 and name  HB1) 0 -1.78 4.00
 assign (resid 29 and name   HN) (resid 29 and name  HB2) 0 -1.78 4.00
 assign (resid 29 and name   HN) (resid 30 and name   HN) 0 -1.78 5.00
 assign (resid 29 and name   HN) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 29 and name   HA) (resid 30 and name   HN) 0 -1.78 3.00
 assign (resid 29 and name   HA) (resid 41 and name  HA#) 0 -1.78 7.20
 assign (resid 29 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 ! 30 ARG+ 
 assign (resid 30 and name   HN) (resid 30 and name  HB1) 0 -1.78 4.00
 assign (resid 30 and name   HN) (resid 30 and name  HB2) 0 -1.78 4.00
 assign (resid 30 and name   HN) (resid 30 and name  HG#) 0 -1.78 4.88
 assign (resid 30 and name   HN) (resid 30 and name  HD#) 0 -1.78 4.88
 assign (resid 30 and name   HN) (resid 31 and name  HD1) 0 -1.78 5.00
 assign (resid 30 and name   HN) (resid 31 and name  HD2) 0 -1.78 5.00
 assign (resid 30 and name   HN) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 30 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 ! 31 PRO  
 assign (resid 31 and name   HA) (resid 32 and name   HN) 0 -1.78 3.00
 assign (resid 31 and name  HB#) (resid 32 and name   HN) 0 -1.78 4.00
 assign (resid 31 and name  HD1) (resid 32 and name   HN) 0 -1.78 5.00
 assign (resid 31 and name  HD2) (resid 32 and name   HN) 0 -1.78 5.00
 ! 32 ALA  
 assign (resid 32 and name   HN) (resid 32 and name  HB#) 0 -1.78 3.00
 assign (resid 32 and name   HN) (resid 33 and name   HN) 0 -1.78 5.00
 assign (resid 32 and name   HA) (resid 33 and name   HN) 0 -1.78 3.00
 assign (resid 32 and name  HB#) (resid 33 and name   HN) 0 -1.78 3.00
 ! 33 SER  
 assign (resid 33 and name   HN) (resid 33 and name  HB#) 0 -1.78 3.54
 assign (resid 33 and name   HA) (resid 34 and name   HN) 0 -1.78 3.00
 assign (resid 33 and name  HB1) (resid 34 and name   HN) 0 -1.78 2.50
 assign (resid 33 and name  HB2) (resid 34 and name   HN) 0 -1.78 2.50
 ! 34 ARG+ 
 assign (resid 34 and name   HN) (resid 34 and name  HG#) 0 -1.78 3.88
 assign (resid 34 and name   HN) (resid 34 and name  HD#) 0 -1.78 5.88
 assign (resid 34 and name   HN) (resid 35 and name   HN) 0 -1.78 5.00
 assign (resid 34 and name   HN) (resid 35 and name   HB) 0 -1.78 5.00
 assign (resid 34 and name   HN) (resid 35 and name HG1#) 0 -1.78 6.10
 assign (resid 34 and name   HN) (resid 35 and name HG2#) 0 -1.78 6.10
 assign (resid 34 and name   HN) (resid 35 and name  HG#) 0 -1.78 5.35
 assign (resid 34 and name   HA) (resid 35 and name   HN) 0 -1.78 3.00
 ! 35 VAL  
 assign (resid 35 and name   HN) (resid 35 and name   HB) 0 -1.78 3.00
 assign (resid 35 and name   HN) (resid 35 and name HG1#) 0 -1.78 4.00
 assign (resid 35 and name   HN) (resid 35 and name HG2#) 0 -1.78 4.00
 assign (resid 35 and name   HA) (resid 36 and name   HN) 0 -1.78 3.00
 assign (resid 35 and name   HB) (resid 37 and name   HN) 0 -1.78 5.00
 assign (resid 35 and name HG1#) (resid 37 and name   HN) 0 -1.78 6.10
 assign (resid 35 and name HG2#) (resid 37 and name   HN) 0 -1.78 6.10
 ! 36 SER  
 assign (resid 36 and name   HN) (resid 36 and name  HB#) 0 -1.78 3.54
 assign (resid 36 and name   HN) (resid 37 and name   HN) 0 -1.78 5.00
 assign (resid 36 and name   HN) (resid 33 and name   HN) 0 -1.78 5.00
 assign (resid 36 and name   HA) (resid 37 and name   HN) 0 -1.78 3.00
 assign (resid 36 and name  HB1) (resid 37 and name   HN) 0 -1.78 4.00
 assign (resid 36 and name  HB2) (resid 37 and name   HN) 0 -1.78 4.00
 ! 37 ARG+ 
 assign (resid 37 and name   HN) (resid 37 and name  HB#) 0 -1.78 3.55
 assign (resid 37 and name   HN) (resid 37 and name  HG#) 0 -1.78 4.88
 assign (resid 37 and name   HN) (resid 37 and name  HD#) 0 -1.78 5.88
 assign (resid 37 and name   HN) (resid 38 and name   HN) 0 -1.78 5.00
 assign (resid 37 and name   HA) (resid 38 and name   HN) 0 -1.78 3.00
 assign (resid 37 and name  HB1) (resid 38 and name   HN) 0 -1.78 4.00
 assign (resid 37 and name  HB2) (resid 38 and name   HN) 0 -1.78 4.00
 ! 38 ARG+ 
 assign (resid 38 and name   HN) (resid 38 and name  HB1) 0 -1.78 4.00
 assign (resid 38 and name   HN) (resid 38 and name  HB2) 0 -1.78 4.00
 assign (resid 38 and name   HN) (resid 38 and name  HG#) 0 -1.78 4.88
 assign (resid 38 and name   HN) (resid 38 and name  HD#) 0 -1.78 3.88
 assign (resid 38 and name   HN) (resid 39 and name   HN) 0 -1.78 5.00
 assign (resid 38 and name   HA) (resid 39 and name   HN) 0 -1.78 3.00
 assign (resid 38 and name  HB1) (resid 39 and name   HN) 0 -1.78 3.00
 assign (resid 38 and name  HB2) (resid 39 and name   HN) 0 -1.78 3.00
 assign (resid 38 and name  HG#) (resid 39 and name   HN) 0 -1.78 4.88
 ! 39 SER  
 assign (resid 39 and name   HN) (resid 39 and name  HB#) 0 -1.78 3.54
 assign (resid 39 and name   HN) (resid 40 and name   HN) 0 -1.78 5.00
 ! 40 ARG+ 
 assign (resid 40 and name   HN) (resid 40 and name  HB1) 0 -1.78 3.00
 assign (resid 40 and name   HN) (resid 40 and name  HB2) 0 -1.78 3.00
 assign (resid 40 and name   HN) (resid 40 and name  HG#) 0 -1.78 3.88
 assign (resid 40 and name   HN) (resid 40 and name  HD#) 0 -1.78 4.88
 assign (resid 40 and name   HA) (resid 41 and name   HN) 0 -1.78 3.00
 assign (resid 40 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 40 and name  HB1) (resid 41 and name   HN) 0 -1.78 4.00
 assign (resid 40 and name  HB2) (resid 41 and name   HN) 0 -1.78 4.00
 assign (resid 40 and name  HG#) (resid 41 and name   HN) 0 -1.78 4.88
 ! 41 GLY  
 assign (resid 41 and name   HN) (resid 42 and name   HN) 0 -1.78 5.00
 assign (resid 41 and name  HA#) (resid 59 and name  HE#) 0 -1.78 8.36
 ! 42 ILE  
 assign (resid 42 and name   HN) (resid 42 and name HG2#) 0 -1.78 4.00
 assign (resid 42 and name   HN) (resid 42 and name HG1#) 0 -1.78 3.88
 assign (resid 42 and name   HN) (resid 42 and name HD1#) 0 -1.78 4.00
 assign (resid 42 and name   HN) (resid 43 and name   HN) 0 -1.78 5.00
 assign (resid 42 and name   HN) (resid 28 and name   HA) 0 -1.78 5.00
 assign (resid 42 and name   HN) (resid 28 and name   HA) 0 -1.78 5.00
 assign (resid 42 and name   HN) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 42 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 42 and name   HA) (resid 45 and name  HB2) 0 -1.78 5.00
 assign (resid 42 and name   HA) (resid 45 and name  HG1) 0 -1.78 5.00
 assign (resid 42 and name   HA) (resid 45 and name  HG2) 0 -1.78 5.00
 assign (resid 42 and name HG2#) (resid 43 and name   HN) 0 -1.78 4.00
 assign (resid 42 and name HD1#) (resid 43 and name   HN) 0 -1.78 4.00
 assign (resid 42 and name HD1#) (resid 56 and name   HN) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 56 and name   HA) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 56 and name   HG) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 59 and name   HN) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 59 and name   HA) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 59 and name  HB#) 0 -1.78 6.98
 assign (resid 42 and name HD1#) (resid 17 and name   HG) 0 -1.78 6.10
 assign (resid 42 and name HD1#) (resid 17 and name  HB1) 0 -1.78 6.10
 ! 43 VAL  
 assign (resid 43 and name   HN) (resid 43 and name   HB) 0 -1.78 4.00
 assign (resid 43 and name   HN) (resid 43 and name HG1#) 0 -1.78 4.00
 assign (resid 43 and name   HN) (resid 43 and name HG2#) 0 -1.78 4.00
 assign (resid 43 and name   HN) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 43 and name   HA) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 43 and name   HA) (resid 13 and name HD2#) 0 -1.78 6.10
 assign (resid 43 and name   HB) (resid 44 and name   HN) 0 -1.78 4.00
 assign (resid 43 and name HG1#) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 43 and name HG2#) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 43 and name  HG#) (resid 47 and name   HA) 0 -1.78 7.66
 ! 44 GLU- 
 assign (resid 44 and name   HN) (resid 44 and name  HB1) 0 -1.78 4.00
 assign (resid 44 and name   HN) (resid 44 and name  HB2) 0 -1.78 4.00
 assign (resid 44 and name   HN) (resid 44 and name  HG1) 0 -1.78 4.00
 assign (resid 44 and name   HN) (resid 44 and name  HG2) 0 -1.78 4.00
 assign (resid 44 and name   HN) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 44 and name   HA) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 44 and name   HA) (resid 48 and name   HN) 0 -1.78 5.00
 assign (resid 44 and name   HA) (resid 48 and name  HD#) 0 -1.78 7.13
 assign (resid 44 and name   HA) (resid 48 and name  HE#) 0 -1.78 7.13
 assign (resid 44 and name   HA) (resid 48 and name  HB1) 0 -1.78 5.00
 assign (resid 44 and name   HA) (resid 48 and name  HB2) 0 -1.78 5.00
 ! 45 GLU- 
 assign (resid 45 and name   HN) (resid 42 and name   HA) 0 -1.78 5.00
 assign (resid 45 and name   HN) (resid 45 and name  HG1) 0 -1.78 4.00
 assign (resid 45 and name   HN) (resid 45 and name  HG2) 0 -1.78 4.00
 assign (resid 45 and name   HN) (resid 46 and name   HN) 0 -1.78 5.00
 assign (resid 45 and name   HA) (resid 48 and name   HN) 0 -1.78 5.00
 assign (resid 45 and name   HA) (resid 49 and name   HN) 0 -1.78 5.00
 assign (resid 45 and name   HA) (resid 55 and name HD1#) 0 -1.78 6.10
 assign (resid 45 and name  HG2) (resid 55 and name HD1#) 0 -1.78 6.10
 assign (resid 45 and name  HG1) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 45 and name  HG2) (resid 59 and name  HE#) 0 -1.78 7.13
 ! 46 CYS  
 assign (resid 46 and name   HN) (resid 43 and name   HA) 0 -1.78 5.00
 assign (resid 46 and name   HN) (resid 43 and name HG1#) 0 -1.78 6.10
 assign (resid 46 and name   HN) (resid 43 and name HG2#) 0 -1.78 6.10
 assign (resid 46 and name   HN) (resid 46 and name  HB1) 0 -1.78 3.00
 assign (resid 46 and name   HN) (resid 46 and name  HB2) 0 -1.78 3.00
 assign (resid 46 and name   HN) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name   HN) (resid 48 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name   HN) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name   HN) (resid 42 and name HD1#) 0 -1.78 6.10
 assign (resid 46 and name   HN) (resid 42 and name HG2#) 0 -1.78 6.10
 assign (resid 46 and name   HN) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 46 and name   HA) (resid 49 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name   HA) (resid 51 and name   HA) 0 -1.78 5.00
 assign (resid 46 and name   HA) (resid 55 and name  HD#) 0 -1.78 7.67
 assign (resid 46 and name   CB) (resid 51 and name   SG) 0 -3.00 3.10
 assign (resid 46 and name  HB1) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name  HB2) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name  HB#) (resid 59 and name  HE#) 0 -1.78 8.01
 assign (resid 46 and name   SG) (resid 51 and name   CB) 0 -3.00 3.10
 assign (resid 46 and name   SG) (resid 51 and name   SG) 0 -2.00 2.10
 ! 47 CYS  
 assign (resid 47 and name   HN) (resid 48 and name   HN) 0 -1.78 5.00
 assign (resid 47 and name   HN) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 47 and name   HN) (resid 43 and name   HA) 0 -1.78 5.00
 assign (resid 47 and name   HA) (resid 13 and name  HB1) 0 -1.78 5.00
 assign (resid 47 and name   HA) (resid 13 and name HD1#) 0 -1.78 6.10
 assign (resid 47 and name   HA) (resid 13 and name HD2#) 0 -1.78 6.10
 ! 48 PHE  
 assign (resid 48 and name   HN) (resid 48 and name  HB1) 0 -1.78 3.00
 assign (resid 48 and name   HN) (resid 48 and name  HB2) 0 -1.78 3.00
 assign (resid 48 and name   HN) (resid 49 and name   HN) 0 -1.78 5.00
 assign (resid 48 and name  HB1) (resid 49 and name   HN) 0 -1.78 4.00
 assign (resid 48 and name  HB2) (resid 49 and name   HN) 0 -1.78 4.00
 assign (resid 48 and name   HN) (resid 44 and name  HG1) 0 -1.78 5.00
 assign (resid 48 and name   HN) (resid 44 and name  HG2) 0 -1.78 5.00
 assign (resid 48 and name  HD#) (resid 43 and name   HB) 0 -1.78 7.13
 assign (resid 48 and name  HD#) (resid 43 and name HG1#) 0 -1.78 8.23
 assign (resid 48 and name  HD#) (resid 44 and name  HB2) 0 -1.78 7.13
 assign (resid 48 and name  HD#) (resid 44 and name  HG1) 0 -1.78 7.13
 assign (resid 48 and name  HD#) (resid 44 and name  HG2) 0 -1.78 7.13
 assign (resid 48 and name  HE#) (resid 43 and name HG1#) 0 -1.78 8.23
 assign (resid 48 and name  HE#) (resid 44 and name  HB2) 0 -1.78 7.13
 assign (resid 48 and name  HE#) (resid 44 and name  HG1) 0 -1.78 7.13
 assign (resid 48 and name  HE#) (resid 44 and name  HG2) 0 -1.78 7.13
 ! 49 ARG+ 
 assign (resid 49 and name   HN) (resid 49 and name  HG#) 0 -1.78 4.88
 assign (resid 49 and name   HA) (resid 50 and name   HN) 0 -1.78 3.00
 assign (resid 49 and name  HB1) (resid 50 and name   HN) 0 -1.78 3.00
 assign (resid 49 and name   HN) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 49 and name  HB2) (resid 50 and name   HN) 0 -1.78 3.00
 assign (resid 49 and name   HN) (resid 45 and name  HG1) 0 -1.78 5.00
 assign (resid 49 and name   HN) (resid 45 and name  HG2) 0 -1.78 5.00
 ! 50 SER  
 assign (resid 50 and name   HN) (resid 50 and name  HB1) 0 -1.78 4.00
 assign (resid 50 and name   HN) (resid 50 and name  HB2) 0 -1.78 4.00
 assign (resid 50 and name   HN) (resid 50 and name  HB#) 0 -1.78 3.43
 assign (resid 50 and name   HN) (resid  7 and name HG2#) 0 -1.78 6.10
 ! 51 CYS  
 assign (resid 51 and name   HN) (resid 55 and name  HD#) 0 -1.78 7.67
 assign (resid 51 and name   HA) (resid 55 and name  HB1) 0 -1.78 5.00
 assign (resid 51 and name   HA) (resid 55 and name  HB2) 0 -1.78 5.00
 assign (resid 51 and name   HA) (resid 55 and name  HD#) 0 -1.78 7.67
 assign (resid 51 and name  HB1) (resid 52 and name   HN) 0 -1.78 5.00
 assign (resid 51 and name  HB2) (resid 52 and name   HN) 0 -1.78 5.00
 ! 52 ASP- 
 assign (resid 52 and name   HN) (resid 55 and name  HB#) 0 -1.78 5.88
 assign (resid 52 and name  HB#) (resid 53 and name   HN) 0 -1.78 3.88
 ! 53 LEU  
 assign (resid 53 and name   HA) (resid 56 and name  HB1) 0 -1.78 5.00
 assign (resid 53 and name   HA) (resid 56 and name  HB2) 0 -1.78 5.00
 assign (resid 53 and name   HG) (resid 54 and name   HN) 0 -1.78 4.00
 assign (resid 53 and name   HG) (resid 57 and name  HG#) 0 -1.78 5.88
 ! 54 ALA  
 assign (resid 54 and name   HN) (resid 55 and name   HN) 0 -1.78 5.00
 assign (resid 54 and name   HA) (resid 57 and name  HB#) 0 -1.78 5.88
 assign (resid 54 and name   HA) (resid 57 and name  HG1) 0 -1.78 5.00
 assign (resid 54 and name   HA) (resid 57 and name  HG2) 0 -1.78 5.00
 assign (resid 54 and name   HA) (resid 58 and name HG2#) 0 -1.78 6.10
 assign (resid 54 and name  HB#) (resid 55 and name   HN) 0 -1.78 4.00
 assign (resid 54 and name  HB#) (resid 57 and name   HN) 0 -1.78 6.10
 ! 55 LEU  
 assign (resid 55 and name   HN) (resid 52 and name   HN) 0 -1.78 5.00
 assign (resid 55 and name   HN) (resid 55 and name  HB1) 0 -1.78 3.00
 assign (resid 55 and name   HN) (resid 55 and name  HB2) 0 -1.78 3.00
 assign (resid 55 and name   HN) (resid 55 and name   HG) 0 -1.78 3.00
 assign (resid 55 and name   HN) (resid 56 and name   HN) 0 -1.78 5.00
 assign (resid 55 and name   HA) (resid 58 and name HG2#) 0 -1.78 6.10
 assign (resid 55 and name   HG) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 55 and name  HD#) (resid 58 and name HG2#) 0 -1.78 8.77
 ! 56 LEU  
 assign (resid 56 and name   HN) (resid 53 and name   HA) 0 -1.78 5.00
 assign (resid 56 and name   HN) (resid 56 and name HD1#) 0 -1.78 4.00
 assign (resid 56 and name   HN) (resid 56 and name HD2#) 0 -1.78 4.00
 assign (resid 56 and name   HN) (resid 57 and name   HN) 0 -1.78 5.00
 assign (resid 56 and name   HA) (resid 59 and name   HN) 0 -1.78 5.00
 assign (resid 56 and name   HA) (resid 59 and name  HB#) 0 -1.78 5.88
 assign (resid 56 and name   HA) (resid 59 and name  HE#) 0 -1.78 7.13
 assign (resid 56 and name  HB1) (resid 59 and name   HN) 0 -1.78 5.00
 assign (resid 56 and name  HB2) (resid 59 and name   HN) 0 -1.78 5.00
 ! 57 GLU- 
 assign (resid 57 and name   HN) (resid 57 and name  HB1) 0 -1.78 4.00
 assign (resid 57 and name   HN) (resid 57 and name  HB2) 0 -1.78 4.00
 assign (resid 57 and name   HN) (resid 57 and name  HG1) 0 -1.78 3.00
 assign (resid 57 and name   HN) (resid 57 and name  HG2) 0 -1.78 3.00
 assign (resid 57 and name   HN) (resid 58 and name   HN) 0 -1.78 5.00
 assign (resid 57 and name   HN) (resid 58 and name HG2#) 0 -1.78 5.00
 assign (resid 57 and name   HN) (resid 20 and name HG1#) 0 -1.78 6.10
 assign (resid 57 and name   HN) (resid 20 and name HG2#) 0 -1.78 6.10
 ! 58 THR  
 assign (resid 58 and name   HN) (resid 58 and name   HB) 0 -1.78 4.00
 assign (resid 58 and name   HN) (resid 58 and name HG2#) 0 -1.78 3.00
 assign (resid 58 and name   HA) (resid 60 and name   HN) 0 -1.78 5.00
 assign (resid 58 and name HG2#) (resid 60 and name   HN) 0 -1.78 6.10
 assign (resid 58 and name HG2#) (resid 56 and name HD1#) 0 -1.78 7.20
 ! 59 TYR  
 assign (resid 59 and name   HN) (resid 60 and name   HN) 0 -1.78 5.00
 assign (resid 59 and name  HD#) (resid 56 and name   HG) 0 -1.78 7.13
 assign (resid 59 and name  HD#) (resid 30 and name  HG1) 0 -1.78 7.13
 ! 60 CYS  
 assign (resid 60 and name   HN) (resid 57 and name   HA) 0 -1.78 5.00
 assign (resid 60 and name   HN) (resid 21 and name  HB1) 0 -1.78 5.00
 assign (resid 60 and name   HN) (resid 60 and name  HB1) 0 -1.78 3.00
 assign (resid 60 and name   HN) (resid 60 and name  HB2) 0 -1.78 3.00
 assign (resid 60 and name   HN) (resid 61 and name   HN) 0 -1.78 5.00
 assign (resid 60 and name   HA) (resid 61 and name   HN) 0 -1.78 3.00
 assign (resid 60 and name   HA) (resid 61 and name  HB#) 0 -1.78 6.10
 ! 61 ALA  
 assign (resid 61 and name   HN) (resid 62 and name   HN) 0 -1.78 5.00
 ! 62 THR  
 assign (resid 62 and name   HN) (resid 62 and name   HB) 0 -1.78 3.00
 assign (resid 62 and name   HN) (resid 62 and name HG2#) 0 -1.78 3.00
 assign (resid 62 and name   HA) (resid 64 and name  HB#) 0 -1.78 6.10
 assign (resid 62 and name   HA) (resid 63 and name  HB#) 0 -1.78 5.76
 assign (resid 62 and name   HB) (resid 63 and name  HD1) 0 -1.78 5.00
 assign (resid 62 and name   HB) (resid 63 and name  HD2) 0 -1.78 5.00
 ! 63 PRO  
 assign (resid 63 and name   HA) (resid 64 and name   HN) 0 -1.78 3.00
 assign (resid 63 and name  HB#) (resid 64 and name   HN) 0 -1.78 4.30
 assign (resid 63 and name  HD#) (resid 64 and name   HN) 0 -1.78 5.35
 ! 64 ALA  
 assign (resid 64 and name   HN) (resid 65 and name   HN) 0 -1.78 5.00
 assign (resid 64 and name   HA) (resid 65 and name   HN) 0 -1.78 3.00
 assign (resid 64 and name  HB#) (resid 66 and name   HN) 0 -1.78 6.10
 ! 65 LYS+ 
 assign (resid 65 and name   HN) (resid 65 and name  HB1) 0 -1.78 3.00
 assign (resid 65 and name   HN) (resid 65 and name  HB2) 0 -1.78 3.00
 assign (resid 65 and name   HN) (resid 65 and name  HG#) 0 -1.78 4.00
 assign (resid 65 and name   HN) (resid 65 and name  HD#) 0 -1.78 5.00
 assign (resid 65 and name   HN) (resid 65 and name  HE#) 0 -1.78 5.00
 assign (resid 65 and name   HA) (resid 66 and name   HN) 0 -1.78 3.00
 ! 66 SER  
 assign (resid 66 and name   HN) (resid 66 and name  HB#) 0 -1.78 3.54
 assign (resid 66 and name   HA) (resid 67 and name   HN) 0 -1.78 3.00
 ! hydrogen bond constraints
 assign (resid 18 and name   HN) (resid 14 and name    O) 0 -1.70 2.50
 assign (resid 18 and name    N) (resid 14 and name    O) 0 -2.30 3.50
 assign (resid 20 and name   HN) (resid 16 and name    O) 0 -1.70 2.50
 assign (resid 20 and name    N) (resid 16 and name    O) 0 -2.30 3.50
 assign (resid 21 and name   HN) (resid 17 and name    O) 0 -1.70 2.50
 assign (resid 21 and name    N) (resid 17 and name    O) 0 -2.30 3.50
 assign (resid 47 and name   HN) (resid 43 and name    O) 0 -1.70 2.50
 assign (resid 47 and name    N) (resid 43 and name    O) 0 -2.30 3.50
 assign (resid 48 and name   HN) (resid 44 and name    O) 0 -1.70 2.50
 assign (resid 48 and name    N) (resid 44 and name    O) 0 -2.30 3.50
 assign (resid 49 and name   HN) (resid 45 and name    O) 0 -1.70 2.50
 assign (resid 49 and name    N) (resid 45 and name    O) 0 -2.30 3.50


Dihedral angle restraints:


		assign (resid 12 and name c) (resid 13 and name  n)
		  (resid 13 and name ca) (resid 13 and name c)  1 -60.0 30.0 2
	        assign (resid 15 and name c) (resid 16 and name  n)
		  (resid 16 and name ca) (resid 16 and name c)  1 -60.0 30.0 2
                assign (resid 17 and name c) (resid 18 and name  n)
		  (resid 18 and name ca) (resid 18 and name c)  1 -60.0 30.0 2
                assign (resid 19 and name c) (resid 20 and name  n)
		  (resid 20 and name ca) (resid 20 and name c)  1 -60.0 30.0 2
                assign (resid 20 and name c) (resid 21 and name  n)
		  (resid 21 and name ca) (resid 21 and name c)  1 -60.0 30.0 2
                assign (resid 45 and name c) (resid 46 and name  n)
		  (resid 46 and name ca) (resid 46 and name c)  1 -60.0 30.0 2
                assign (resid 48 and name c) (resid 49 and name  n)
		  (resid 49 and name ca) (resid 49 and name c)  1 -60.0 30.0 2
                assign (resid 54 and name c) (resid 55 and name  n)
		  (resid 55 and name ca) (resid 55 and name c)  1 -60.0 30.0 2
               assign (resid 57 and name c) (resid 58 and name  n)
                  (resid 58 and name ca) (resid 58 and name c)  1 -60.0 30.0 2
                assign (resid 58 and name c) (resid 59 and name  n)
		  (resid 59 and name ca) (resid 59 and name c)  1 -60.0 30.0 2
               assign (resid 59 and name c) (resid 60 and name  n)
                  (resid 60 and name ca) (resid 60 and name c)  1 -60.0 30.0 2
	end
end

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  518 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   1.603 -13.519  10.378
    2   2H    ALA   1          3H        ALA   1   0.828 -15.020  10.509
    3   3H    ALA   1          2H        ALA   1   1.778 -14.433  11.794
    4    HA   ALA   1           HA       ALA   1   3.610 -15.346  10.965
    5   1HB   ALA   1          1HB       ALA   1   1.779 -16.235   8.619
    6   2HB   ALA   1          3HB       ALA   1   3.379 -16.873   8.966
    7   3HB   ALA   1          2HB       ALA   1   2.063 -17.151  10.085
    8    OH   TYR   2           OH       TYR   2  -1.811 -11.920   9.983
    9    H    TYR   2           H        TYR   2   2.555 -14.857   7.669
   10    HA   TYR   2           HA       TYR   2   3.173 -13.378   6.014
   11   1HB   TYR   2          2HB       TYR   2   4.040 -11.377   8.171
   12   2HB   TYR   2          1HB       TYR   2   3.272 -11.038   6.627
   13    HD1  TYR   2           HD1      TYR   2   0.881 -12.523   6.406
   14    HD2  TYR   2           HD2      TYR   2   2.612 -10.994   9.992
   15    HE1  TYR   2           HE1      TYR   2  -1.300 -12.613   7.496
   16    HE2  TYR   2           HE2      TYR   2   0.409 -11.086  11.074
   17    HH   TYR   2           HH       TYR   2  -2.360 -11.228   9.601
   18    NH1  ARG   3           NH2      ARG   3   7.000 -12.540   0.552
   19    NH2  ARG   3           NH1      ARG   3   4.988 -13.658   0.384
   20    H    ARG   3           H        ARG   3   5.423 -11.490   6.191
   21    HA   ARG   3           HA       ARG   3   7.736 -13.322   6.582
   22   1HB   ARG   3          2HB       ARG   3   7.059 -11.583   4.143
   23   2HB   ARG   3          1HB       ARG   3   8.685 -12.089   4.432
   24   1HG   ARG   3          2HG       ARG   3   8.058 -13.837   3.042
   25   2HG   ARG   3          1HG       ARG   3   7.561 -14.540   4.558
   26   1HD   ARG   3          2HD       ARG   3   5.773 -14.825   2.900
   27   2HD   ARG   3          1HD       ARG   3   5.206 -13.739   4.156
   28    HE   ARG   3           HE       ARG   3   5.375 -11.888   2.594
   29   1HH1  ARG   3          1HH2      ARG   3   7.631 -12.057   1.163
   30   2HH1  ARG   3          2HH2      ARG   3   7.252 -12.643  -0.411
   31   1HH2  ARG   3          2HH1      ARG   3   4.166 -13.977   0.857
   32   2HH2  ARG   3          1HH1      ARG   3   5.078 -13.856  -0.595
   33    HA   PRO   4           HA       PRO   4   9.387  -9.428   8.178
   34   1HB   PRO   4          2HB       PRO   4  12.056  -9.445   7.501
   35   2HB   PRO   4          1HB       PRO   4  11.415 -10.594   8.674
   36   1HG   PRO   4          2HG       PRO   4  11.763 -11.002   5.659
   37   2HG   PRO   4          1HG       PRO   4  12.434 -11.991   6.957
   38   1HD   PRO   4          2HD       PRO   4  10.093 -12.695   5.814
   39   2HD   PRO   4          1HD       PRO   4  10.285 -12.825   7.591
   40    H    SER   5           H        SER   5  11.193  -7.880   6.924
   41    HA   SER   5           HA       SER   5   9.577  -6.526   4.945
   42   1HB   SER   5          2HB       SER   5  12.466  -5.924   5.703
   43   2HB   SER   5          1HB       SER   5  11.228  -4.774   5.142
   44    HG   SER   5           HG       SER   5  10.460  -4.743   7.123
   45    H    GLU   6           H        GLU   6   9.847  -6.254   2.826
   46    HA   GLU   6           HA       GLU   6  12.093  -7.423   1.343
   47   1HB   GLU   6          2HB       GLU   6   9.854  -8.405  -0.113
   48   2HB   GLU   6          1HB       GLU   6  10.897  -9.376   0.913
   49   1HG   GLU   6          2HG       GLU   6   8.369  -9.569   1.359
   50   2HG   GLU   6          1HG       GLU   6   9.324  -9.175   2.780
   51    H    THR   7           H        THR   7  11.156  -7.205  -1.138
   52    HA   THR   7           HA       THR   7   9.933  -4.564  -1.643
   53    HB   THR   7           HB       THR   7  11.883  -4.033  -3.271
   54    HG1  THR   7           HG1      THR   7  12.350  -6.514  -2.999
   55   1HG2  THR   7          1HG2      THR   7  12.056  -3.210  -0.872
   56   2HG2  THR   7          3HG2      THR   7  12.903  -4.696  -0.466
   57   3HG2  THR   7          2HG2      THR   7  13.619  -3.557  -1.603
   58    H    LEU   8           H        LEU   8   8.561  -4.916  -3.393
   59    HA   LEU   8           HA       LEU   8   9.092  -7.248  -5.179
   60   1HB   LEU   8          2HB       LEU   8   6.293  -6.568  -4.193
   61   2HB   LEU   8          1HB       LEU   8   6.758  -7.934  -5.175
   62    HG   LEU   8           HG       LEU   8   8.212  -8.587  -3.047
   63   1HD1  LEU   8          1HD1      LEU   8   6.042  -6.791  -1.984
   64   2HD1  LEU   8          3HD1      LEU   8   6.995  -7.856  -0.980
   65   3HD1  LEU   8          2HD1      LEU   8   7.731  -6.483  -1.788
   66   1HD2  LEU   8          1HD2      LEU   8   5.163  -8.878  -3.039
   67   2HD2  LEU   8          3HD2      LEU   8   6.287  -9.945  -3.865
   68   3HD2  LEU   8          2HD2      LEU   8   6.298  -9.855  -2.121
   69    H    CYS   9           H        CYS   9   8.079  -6.841  -7.305
   70    HA   CYS   9           HA       CYS   9   7.281  -3.946  -7.536
   71   1HB   CYS   9          2HB       CYS   9   9.526  -4.375  -8.389
   72   2HB   CYS   9          1HB       CYS   9   8.876  -5.516  -9.544
   73    H    GLY  10           H        GLY  10   6.161  -3.259  -9.223
   74   1HA   GLY  10          2HA       GLY  10   3.768  -3.441  -9.940
   75   2HA   GLY  10          1HA       GLY  10   4.843  -3.624 -11.304
   76    H    GLY  11           H        GLY  11   2.343  -5.065  -9.569
   77   1HA   GLY  11          2HA       GLY  11   1.068  -6.927 -10.446
   78   2HA   GLY  11          1HA       GLY  11   2.502  -7.448 -11.361
   79    H    GLU  12           H        GLU  12   4.480  -7.649  -9.713
   80    HA   GLU  12           HA       GLU  12   3.862  -9.918  -8.068
   81   1HB   GLU  12          2HB       GLU  12   6.178  -9.422  -8.970
   82   2HB   GLU  12          1HB       GLU  12   6.282  -8.060  -7.877
   83   1HG   GLU  12          2HG       GLU  12   5.916  -9.666  -5.924
   84   2HG   GLU  12          1HG       GLU  12   6.095 -10.964  -7.078
   85    H    LEU  13           H        LEU  13   4.746  -6.553  -7.102
   86    HA   LEU  13           HA       LEU  13   4.169  -7.039  -4.347
   87   1HB   LEU  13          2HB       LEU  13   4.119  -4.649  -3.952
   88   2HB   LEU  13          1HB       LEU  13   5.325  -4.912  -5.171
   89    HG   LEU  13           HG       LEU  13   2.503  -3.841  -5.649
   90   1HD1  LEU  13          2HD1      LEU  13   5.223  -2.562  -5.919
   91   2HD1  LEU  13          1HD1      LEU  13   3.680  -1.874  -6.386
   92   3HD1  LEU  13          3HD1      LEU  13   4.017  -2.192  -4.683
   93   1HD2  LEU  13          2HD2      LEU  13   4.802  -4.320  -7.397
   94   2HD2  LEU  13          1HD2      LEU  13   3.315  -5.263  -7.497
   95   3HD2  LEU  13          3HD2      LEU  13   3.302  -3.554  -7.930
   96    H    VAL  14           H        VAL  14   1.907  -7.026  -6.893
   97    HA   VAL  14           HA       VAL  14  -0.309  -5.819  -5.495
   98    HB   VAL  14           HB       VAL  14  -0.288  -8.153  -7.516
   99   1HG1  VAL  14          2HG1      VAL  14  -2.615  -6.380  -6.677
  100   2HG1  VAL  14          1HG1      VAL  14  -2.667  -7.604  -7.934
  101   3HG1  VAL  14          3HG1      VAL  14  -2.437  -8.069  -6.260
  102   1HG2  VAL  14          2HG2      VAL  14   0.657  -5.999  -8.396
  103   2HG2  VAL  14          1HG2      VAL  14  -0.862  -6.378  -9.189
  104   3HG2  VAL  14          3HG2      VAL  14  -0.803  -5.149  -7.933
  105    H    ASP  15           H        ASP  15   1.409  -8.823  -5.331
  106    HA   ASP  15           HA       ASP  15  -0.422 -10.350  -3.788
  107   1HB   ASP  15          2HB       ASP  15   1.643 -11.331  -4.839
  108   2HB   ASP  15          1HB       ASP  15   2.616 -10.499  -3.638
  109    H    THR  16           H        THR  16   1.840  -7.816  -2.823
  110    HA   THR  16           HA       THR  16   1.902  -8.446  -0.059
  111    HB   THR  16           HB       THR  16   2.587  -6.072   0.293
  112    HG1  THR  16           HG1      THR  16   2.332  -5.455  -2.409
  113   1HG2  THR  16          2HG2      THR  16   3.656  -7.144  -2.366
  114   2HG2  THR  16          1HG2      THR  16   4.375  -5.902  -1.348
  115   3HG2  THR  16          3HG2      THR  16   4.286  -7.557  -0.785
  116    H    LEU  17           H        LEU  17   0.071  -5.975  -1.687
  117    HA   LEU  17           HA       LEU  17  -1.766  -5.328   0.361
  118   1HB   LEU  17          2HB       LEU  17  -2.420  -5.614  -2.449
  119   2HB   LEU  17          1HB       LEU  17  -3.175  -4.473  -1.358
  120    HG   LEU  17           HG       LEU  17  -0.249  -4.233  -2.302
  121   1HD1  LEU  17          2HD1      LEU  17  -1.990  -3.856  -4.001
  122   2HD1  LEU  17          1HD1      LEU  17  -2.726  -2.653  -2.925
  123   3HD1  LEU  17          3HD1      LEU  17  -1.106  -2.373  -3.565
  124   1HD2  LEU  17          1HD2      LEU  17  -2.150  -2.356  -0.940
  125   2HD2  LEU  17          3HD2      LEU  17  -0.824  -3.174  -0.132
  126   3HD2  LEU  17          2HD2      LEU  17  -0.500  -1.988  -1.396
  127    H    GLN  18           H        GLN  18  -1.824  -7.729  -2.226
  128    HA   GLN  18           HA       GLN  18  -4.415  -8.685  -1.741
  129   1HB   GLN  18          2HB       GLN  18  -2.772  -9.447  -3.677
  130   2HB   GLN  18          1HB       GLN  18  -1.951 -10.423  -2.468
  131   1HG   GLN  18          2HG       GLN  18  -3.947 -11.827  -2.150
  132   2HG   GLN  18          1HG       GLN  18  -4.863 -10.822  -3.260
  133   1HE2  GLN  18          2HE2      GLN  18  -1.902 -13.110  -4.953
  134   2HE2  GLN  18          1HE2      GLN  18  -1.563 -12.421  -3.447
  135    H    PHE  19           H        PHE  19  -1.431  -9.319   0.047
  136    HA   PHE  19           HA       PHE  19  -2.991 -11.237   1.709
  137   1HB   PHE  19          2HB       PHE  19  -0.961 -11.881   2.742
  138   2HB   PHE  19          1HB       PHE  19  -0.501 -11.590   1.081
  139    HD1  PHE  19           HD2      PHE  19  -0.686  -9.626   4.316
  140    HD2  PHE  19           HD1      PHE  19   1.526 -10.469   0.760
  141    HE1  PHE  19           HE2      PHE  19   1.058  -8.123   5.071
  142    HE2  PHE  19           HE1      PHE  19   3.295  -8.940   1.567
  143    HZ   PHE  19           HZ       PHE  19   3.091  -7.810   3.662
  144    H    VAL  20           H        VAL  20  -1.546  -7.807   2.144
  145    HA   VAL  20           HA       VAL  20  -2.683  -7.960   4.800
  146    HB   VAL  20           HB       VAL  20  -0.484  -6.915   3.792
  147   1HG1  VAL  20          1HG1      VAL  20  -2.348  -4.582   3.436
  148   2HG1  VAL  20          3HG1      VAL  20  -0.601  -4.513   3.542
  149   3HG1  VAL  20          2HG1      VAL  20  -1.357  -5.390   2.233
  150   1HG2  VAL  20          2HG2      VAL  20  -1.089  -7.112   6.065
  151   2HG2  VAL  20          1HG2      VAL  20  -0.338  -5.578   5.677
  152   3HG2  VAL  20          3HG2      VAL  20  -2.101  -5.658   5.944
  153    H    CYS  21           H        CYS  21  -3.505  -6.064   1.737
  154    HA   CYS  21           HA       CYS  21  -5.514  -4.541   2.940
  155   1HB   CYS  21          2HB       CYS  21  -4.906  -4.212   0.669
  156   2HB   CYS  21          1HB       CYS  21  -5.342  -5.774   0.262
  157    H    GLY  22           H        GLY  22  -6.065  -7.543   1.163
  158   1HA   GLY  22          2HA       GLY  22  -7.228  -9.470   1.892
  159   2HA   GLY  22          1HA       GLY  22  -7.839  -8.572   3.262
  160    H    ASP  23           H        ASP  23  -9.733  -9.584   2.852
  161    HA   ASP  23           HA       ASP  23 -11.340  -9.564   0.574
  162   1HB   ASP  23          2HB       ASP  23 -11.564 -10.969   2.630
  163   2HB   ASP  23          1HB       ASP  23 -12.241  -9.579   3.468
  164    NH1  ARG  24           NH2      ARG  24 -12.838  -6.120   4.709
  165    NH2  ARG  24           NH1      ARG  24 -11.223  -5.012   5.960
  166    H    ARG  24           H        ARG  24 -10.944  -7.428  -0.204
  167    HA   ARG  24           HA       ARG  24 -13.242  -5.823  -0.237
  168   1HB   ARG  24          2HB       ARG  24 -12.222  -3.760   0.754
  169   2HB   ARG  24          1HB       ARG  24 -12.685  -4.987   1.906
  170   1HG   ARG  24          2HG       ARG  24  -9.887  -5.420   0.964
  171   2HG   ARG  24          1HG       ARG  24 -10.091  -3.802   1.474
  172   1HD   ARG  24          2HD       ARG  24 -10.488  -6.422   2.994
  173   2HD   ARG  24          1HD       ARG  24  -9.384  -5.120   3.402
  174    HE   ARG  24           HE       ARG  24 -11.768  -3.823   3.460
  175   1HH1  ARG  24          1HH2      ARG  24 -13.196  -6.284   3.775
  176   2HH1  ARG  24          2HH2      ARG  24 -13.263  -6.611   5.471
  177   1HH2  ARG  24          2HH1      ARG  24 -10.438  -4.384   5.913
  178   2HH2  ARG  24          1HH1      ARG  24 -11.495  -5.401   6.841
  179    H    GLY  25           H        GLY  25  -9.778  -6.096  -0.640
  180   1HA   GLY  25          2HA       GLY  25  -8.615  -5.803  -2.677
  181   2HA   GLY  25          1HA       GLY  25 -10.046  -5.005  -3.341
  182    H    PHE  26           H        PHE  26  -7.288  -4.076  -3.425
  183    HA   PHE  26           HA       PHE  26  -7.228  -1.653  -1.657
  184   1HB   PHE  26          2HB       PHE  26  -4.805  -1.663  -2.830
  185   2HB   PHE  26          1HB       PHE  26  -5.120  -2.514  -1.339
  186    HD1  PHE  26           HD2      PHE  26  -5.832  -4.860  -1.422
  187    HD2  PHE  26           HD1      PHE  26  -4.312  -2.913  -4.858
  188    HE1  PHE  26           HE2      PHE  26  -5.391  -7.014  -2.368
  189    HE2  PHE  26           HE1      PHE  26  -3.872  -5.054  -5.862
  190    HZ   PHE  26           HZ       PHE  26  -4.386  -7.167  -4.663
  191    OH   TYR  27           OH       TYR  27 -13.338   1.647  -3.744
  192    H    TYR  27           H        TYR  27  -6.290   0.262  -2.801
  193    HA   TYR  27           HA       TYR  27  -7.519   0.356  -5.565
  194   1HB   TYR  27          2HB       TYR  27  -7.264   2.497  -3.414
  195   2HB   TYR  27          1HB       TYR  27  -7.517   2.938  -5.091
  196    HD1  TYR  27           HD1      TYR  27  -9.328  -0.121  -4.764
  197    HD2  TYR  27           HD2      TYR  27  -9.483   3.989  -3.588
  198    HE1  TYR  27           HE1      TYR  27 -11.747  -0.275  -4.483
  199    HE2  TYR  27           HE2      TYR  27 -11.904   3.797  -3.317
  200    HH   TYR  27           HH       TYR  27 -13.584   1.603  -2.807
  201    H    PHE  28           H        PHE  28  -4.466   0.892  -4.077
  202    HA   PHE  28           HA       PHE  28  -2.397   1.185  -5.072
  203   1HB   PHE  28          2HB       PHE  28  -3.201  -0.198  -7.020
  204   2HB   PHE  28          1HB       PHE  28  -3.962   1.183  -7.755
  205    HD1  PHE  28           HD1      PHE  28  -2.197   3.343  -8.051
  206    HD2  PHE  28           HD2      PHE  28  -1.202  -0.813  -8.010
  207    HE1  PHE  28           HE1      PHE  28  -0.180   3.811  -9.306
  208    HE2  PHE  28           HE2      PHE  28   0.821  -0.324  -9.284
  209    HZ   PHE  28           HZ       PHE  28   1.347   2.001  -9.941
  210    H    SER  29           H        SER  29  -4.794   3.085  -6.758
  211    HA   SER  29           HA       SER  29  -3.025   5.430  -6.710
  212   1HB   SER  29          2HB       SER  29  -5.791   5.011  -7.903
  213   2HB   SER  29          1HB       SER  29  -4.788   6.454  -8.131
  214    HG   SER  29           HG       SER  29  -4.534   4.055  -9.330
  215    NH1  ARG  30           NH1      ARG  30  -3.467   7.941   1.507
  216    NH2  ARG  30           NH2      ARG  30  -1.432   8.571   0.710
  217    H    ARG  30           H        ARG  30  -2.979   5.704  -4.457
  218    HA   ARG  30           HA       ARG  30  -5.302   6.386  -2.883
  219   1HB   ARG  30          2HB       ARG  30  -2.443   7.461  -2.546
  220   2HB   ARG  30          1HB       ARG  30  -3.705   7.649  -1.357
  221   1HG   ARG  30          2HG       ARG  30  -3.697   5.246  -0.864
  222   2HG   ARG  30          1HG       ARG  30  -2.661   4.932  -2.228
  223   1HD   ARG  30          2HD       ARG  30  -1.096   4.931  -0.414
  224   2HD   ARG  30          1HD       ARG  30  -0.941   6.552  -1.035
  225    HE   ARG  30           HE       ARG  30  -1.950   5.794   1.600
  226   1HH1  ARG  30          2HH1      ARG  30  -4.105   7.202   1.726
  227   2HH1  ARG  30          1HH1      ARG  30  -3.740   8.891   1.671
  228   1HH2  ARG  30          1HH2      ARG  30  -0.526   8.323   0.338
  229   2HH2  ARG  30          2HH2      ARG  30  -1.647   9.544   0.838
  230    HA   PRO  31           HA       PRO  31  -5.670  10.450  -4.785
  231   1HB   PRO  31          2HB       PRO  31  -7.673  11.544  -3.291
  232   2HB   PRO  31          1HB       PRO  31  -7.980  10.095  -4.238
  233   1HG   PRO  31          2HG       PRO  31  -7.140  10.215  -1.280
  234   2HG   PRO  31          1HG       PRO  31  -8.584   9.445  -1.953
  235   1HD   PRO  31          2HD       PRO  31  -6.305   7.990  -1.544
  236   2HD   PRO  31          1HD       PRO  31  -7.331   7.690  -2.968
  237    H    ALA  32           H        ALA  32  -6.269  12.632  -2.938
  238    HA   ALA  32           HA       ALA  32  -3.543  13.362  -2.236
  239   1HB   ALA  32          1HB       ALA  32  -5.303  15.089  -2.835
  240   2HB   ALA  32          3HB       ALA  32  -6.194  14.655  -1.382
  241   3HB   ALA  32          2HB       ALA  32  -4.615  15.418  -1.256
  242    H    SER  33           H        SER  33  -3.390  14.275   0.239
  243    HA   SER  33           HA       SER  33  -4.582  12.316   2.146
  244   1HB   SER  33          2HB       SER  33  -1.545  12.707   1.808
  245   2HB   SER  33          1HB       SER  33  -2.311  11.729   3.059
  246    HG   SER  33           HG       SER  33  -3.331  11.166   0.599
  247    NH1  ARG  34           NH2      ARG  34  -2.300  15.611   9.812
  248    NH2  ARG  34           NH1      ARG  34  -0.075  16.128   9.629
  249    H    ARG  34           H        ARG  34  -2.484  13.455   4.061
  250    HA   ARG  34           HA       ARG  34  -3.998  16.045   4.436
  251   1HB   ARG  34          2HB       ARG  34  -3.585  15.781   6.865
  252   2HB   ARG  34          1HB       ARG  34  -4.527  14.487   6.187
  253   1HG   ARG  34          2HG       ARG  34  -2.958  13.472   7.731
  254   2HG   ARG  34          1HG       ARG  34  -2.443  13.025   6.137
  255   1HD   ARG  34          2HD       ARG  34  -0.582  13.778   7.743
  256   2HD   ARG  34          1HD       ARG  34  -0.570  14.620   6.207
  257    HE   ARG  34           HE       ARG  34  -1.507  16.585   7.310
  258   1HH1  ARG  34          1HH2      ARG  34  -3.143  15.374   9.328
  259   2HH1  ARG  34          2HH2      ARG  34  -2.310  15.666  10.811
  260   1HH2  ARG  34          2HH1      ARG  34   0.700  16.291   9.018
  261   2HH2  ARG  34          1HH1      ARG  34   0.066  16.199  10.615
  262    H    VAL  35           H        VAL  35  -1.350  15.374   3.154
  263    HA   VAL  35           HA       VAL  35   0.426  17.249   4.512
  264    HB   VAL  35           HB       VAL  35   1.570  15.897   2.278
  265   1HG1  VAL  35          1HG1      VAL  35   1.658  15.220   5.274
  266   2HG1  VAL  35          3HG1      VAL  35   2.872  14.690   4.119
  267   3HG1  VAL  35          2HG1      VAL  35   2.706  16.398   4.497
  268   1HG2  VAL  35          1HG2      VAL  35  -0.026  13.871   3.819
  269   2HG2  VAL  35          3HG2      VAL  35  -0.153  14.290   2.101
  270   3HG2  VAL  35          2HG2      VAL  35   1.289  13.524   2.715
  271    H    SER  36           H        SER  36  -1.881  18.079   2.944
  272    HA   SER  36           HA       SER  36  -2.566  19.545   1.358
  273   1HB   SER  36          2HB       SER  36   0.138  20.653   2.136
  274   2HB   SER  36          1HB       SER  36  -1.103  21.557   1.238
  275    HG   SER  36           HG       SER  36  -2.092  21.753   3.137
  276    NH1  ARG  37           NH2      ARG  37   6.147  17.051  -4.386
  277    NH2  ARG  37           NH1      ARG  37   6.149  17.304  -2.099
  278    H    ARG  37           H        ARG  37  -0.327  17.664   0.406
  279    HA   ARG  37           HA       ARG  37  -0.479  18.570  -2.461
  280   1HB   ARG  37          2HB       ARG  37   1.923  18.847  -1.307
  281   2HB   ARG  37          1HB       ARG  37   2.017  17.102  -1.385
  282   1HG   ARG  37          2HG       ARG  37   1.153  17.772  -4.007
  283   2HG   ARG  37          1HG       ARG  37   2.106  19.154  -3.589
  284   1HD   ARG  37          2HD       ARG  37   3.284  16.366  -3.259
  285   2HD   ARG  37          1HD       ARG  37   3.274  17.174  -4.814
  286    HE   ARG  37           HE       ARG  37   4.440  19.067  -3.147
  287   1HH1  ARG  37          1HH2      ARG  37   5.678  17.244  -5.246
  288   2HH1  ARG  37          2HH2      ARG  37   7.006  16.538  -4.418
  289   1HH2  ARG  37          2HH1      ARG  37   5.673  17.654  -1.291
  290   2HH2  ARG  37          1HH1      ARG  37   7.023  16.834  -1.964
  291    NH1  ARG  38           NH1      ARG  38   1.721  15.633  -9.316
  292    NH2  ARG  38           NH2      ARG  38  -0.523  15.533  -9.765
  293    H    ARG  38           H        ARG  38   1.074  16.069  -3.112
  294    HA   ARG  38           HA       ARG  38  -1.233  14.242  -3.001
  295   1HB   ARG  38          2HB       ARG  38   1.499  13.956  -4.360
  296   2HB   ARG  38          1HB       ARG  38   0.067  13.006  -4.707
  297   1HG   ARG  38          2HG       ARG  38  -1.135  14.822  -5.654
  298   2HG   ARG  38          1HG       ARG  38  -0.051  16.036  -5.012
  299   1HD   ARG  38          2HD       ARG  38   1.776  15.175  -6.424
  300   2HD   ARG  38          1HD       ARG  38   0.704  13.923  -7.056
  301    HE   ARG  38           HE       ARG  38  -0.277  16.693  -7.409
  302   1HH1  ARG  38          2HH1      ARG  38   2.431  15.765  -8.627
  303   2HH1  ARG  38          1HH1      ARG  38   2.000  15.465 -10.261
  304   1HH2  ARG  38          1HH2      ARG  38  -1.461  15.592  -9.420
  305   2HH2  ARG  38          2HH2      ARG  38  -0.387  15.353 -10.737
  306    H    SER  39           H        SER  39   0.725  11.962  -3.203
  307    HA   SER  39           HA       SER  39   2.126  11.699  -0.714
  308   1HB   SER  39          2HB       SER  39  -0.231  11.385   0.187
  309   2HB   SER  39          1HB       SER  39  -0.539  10.190  -1.076
  310    HG   SER  39           HG       SER  39   0.909   9.922   1.273
  311    NH1  ARG  40           NH1      ARG  40   6.123   4.808   2.008
  312    NH2  ARG  40           NH2      ARG  40   7.540   3.874   0.513
  313    H    ARG  40           H        ARG  40   2.356   9.055  -0.607
  314    HA   ARG  40           HA       ARG  40   3.654   8.363  -3.093
  315   1HB   ARG  40          2HB       ARG  40   3.741   7.678  -0.261
  316   2HB   ARG  40          1HB       ARG  40   3.488   6.231  -1.147
  317   1HG   ARG  40          2HG       ARG  40   5.569   6.692  -2.447
  318   2HG   ARG  40          1HG       ARG  40   5.651   8.313  -1.772
  319   1HD   ARG  40          2HD       ARG  40   7.292   6.883  -0.584
  320   2HD   ARG  40          1HD       ARG  40   5.988   7.325   0.511
  321    HE   ARG  40           HE       ARG  40   5.246   4.823  -0.679
  322   1HH1  ARG  40          2HH1      ARG  40   5.367   5.424   2.188
  323   2HH1  ARG  40          1HH1      ARG  40   6.546   4.312   2.776
  324   1HH2  ARG  40          1HH2      ARG  40   7.870   3.787  -0.425
  325   2HH2  ARG  40          2HH2      ARG  40   7.970   3.354   1.269
  326    H    GLY  41           H        GLY  41   3.250   6.233  -3.988
  327   1HA   GLY  41          2HA       GLY  41   0.451   5.232  -3.876
  328   2HA   GLY  41          1HA       GLY  41   1.120   5.746  -5.444
  329    H    ILE  42           H        ILE  42   0.514   2.973  -5.154
  330    HA   ILE  42           HA       ILE  42   2.439   1.297  -4.101
  331    HB   ILE  42           HB       ILE  42   0.476   1.283  -6.394
  332   1HG1  ILE  42          2HG1      ILE  42  -0.473   1.427  -4.170
  333   2HG1  ILE  42          1HG1      ILE  42  -0.864  -0.141  -4.856
  334   1HG2  ILE  42          1HG2      ILE  42   1.930  -1.135  -5.427
  335   2HG2  ILE  42          3HG2      ILE  42   0.519  -1.103  -6.487
  336   3HG2  ILE  42          2HG2      ILE  42   2.023  -0.376  -7.036
  337   1HD1  ILE  42          3HD1      ILE  42   1.037  -1.159  -3.544
  338   2HD1  ILE  42          2HD1      ILE  42   1.328   0.405  -2.798
  339   3HD1  ILE  42          1HD1      ILE  42  -0.182  -0.394  -2.540
  340    H    VAL  43           H        VAL  43   3.593  -0.217  -5.797
  341    HA   VAL  43           HA       VAL  43   5.632  -0.586  -6.843
  342    HB   VAL  43           HB       VAL  43   5.782   0.582  -9.128
  343   1HG1  VAL  43          3HG1      VAL  43   5.057  -1.717  -8.812
  344   2HG1  VAL  43          2HG1      VAL  43   3.408  -1.207  -8.493
  345   3HG1  VAL  43          1HG1      VAL  43   4.114  -0.969 -10.086
  346   1HG2  VAL  43          1HG2      VAL  43   2.922   1.318  -8.450
  347   2HG2  VAL  43          3HG2      VAL  43   4.222   2.454  -8.739
  348   3HG2  VAL  43          2HG2      VAL  43   3.659   1.437 -10.043
  349    H    GLU  44           H        GLU  44   5.341   3.083  -7.330
  350    HA   GLU  44           HA       GLU  44   8.072   3.369  -7.466
  351   1HB   GLU  44          2HB       GLU  44   5.825   5.129  -7.035
  352   2HB   GLU  44          1HB       GLU  44   7.007   5.554  -5.804
  353   1HG   GLU  44          2HG       GLU  44   8.725   5.388  -7.618
  354   2HG   GLU  44          1HG       GLU  44   7.456   5.237  -8.775
  355    H    GLU  45           H        GLU  45   6.107   2.649  -4.817
  356    HA   GLU  45           HA       GLU  45   8.288   2.975  -2.881
  357   1HB   GLU  45          2HB       GLU  45   6.449   2.402  -1.218
  358   2HB   GLU  45          1HB       GLU  45   6.187   3.832  -2.224
  359   1HG   GLU  45          2HG       GLU  45   4.868   2.305  -3.725
  360   2HG   GLU  45          1HG       GLU  45   5.175   1.038  -2.538
  361    H    CYS  46           H        CYS  46   6.186   0.109  -3.734
  362    HA   CYS  46           HA       CYS  46   8.103  -1.496  -2.120
  363   1HB   CYS  46          2HB       CYS  46   5.583  -1.973  -2.406
  364   2HB   CYS  46          1HB       CYS  46   6.019  -2.587  -3.982
  365    H    CYS  47           H        CYS  47   7.669  -0.567  -5.356
  366    HA   CYS  47           HA       CYS  47   9.540  -2.562  -6.468
  367   1HB   CYS  47          2HB       CYS  47   7.532  -1.708  -7.885
  368   2HB   CYS  47          1HB       CYS  47   8.367  -0.179  -7.981
  369    H    PHE  48           H        PHE  48   9.353   1.213  -6.304
  370    HA   PHE  48           HA       PHE  48  12.210   1.144  -6.772
  371   1HB   PHE  48          2HB       PHE  48   9.881   2.940  -6.889
  372   2HB   PHE  48          1HB       PHE  48  11.356   3.698  -6.619
  373    HD1  PHE  48           HD1      PHE  48  10.990   0.616  -8.709
  374    HD2  PHE  48           HD2      PHE  48  11.062   4.883  -8.787
  375    HE1  PHE  48           HE1      PHE  48  11.075   0.571 -11.138
  376    HE2  PHE  48           HE2      PHE  48  11.144   4.831 -11.228
  377    HZ   PHE  48           HZ       PHE  48  11.157   2.675 -12.421
  378    NH1  ARG  49           NH1      ARG  49  12.614   7.462  -5.005
  379    NH2  ARG  49           NH2      ARG  49  10.713   7.099  -6.258
  380    H    ARG  49           H        ARG  49   9.923   2.157  -4.032
  381    HA   ARG  49           HA       ARG  49  12.433   2.721  -2.461
  382   1HB   ARG  49          2HB       ARG  49   9.594   2.949  -1.394
  383   2HB   ARG  49          1HB       ARG  49  11.031   3.757  -0.827
  384   1HG   ARG  49          2HG       ARG  49   9.313   4.583  -3.210
  385   2HG   ARG  49          1HG       ARG  49   9.822   5.502  -1.836
  386   1HD   ARG  49          2HD       ARG  49  12.133   5.634  -2.729
  387   2HD   ARG  49          1HD       ARG  49  11.658   4.629  -4.102
  388    HE   ARG  49           HE       ARG  49   9.955   7.004  -3.775
  389   1HH1  ARG  49          2HH1      ARG  49  13.031   7.383  -4.101
  390   2HH1  ARG  49          1HH1      ARG  49  13.148   7.847  -5.758
  391   1HH2  ARG  49          1HH2      ARG  49   9.747   6.797  -6.289
  392   2HH2  ARG  49          2HH2      ARG  49  11.084   7.425  -7.121
  393    H    SER  50           H        SER  50  10.493   1.770  -0.247
  394    HA   SER  50           HA       SER  50  11.182  -1.136  -0.426
  395   1HB   SER  50          2HB       SER  50  12.501   0.190   1.371
  396   2HB   SER  50          1HB       SER  50  10.934   0.389   2.200
  397    HG   SER  50           HG       SER  50  12.455  -1.800   2.027
  398    H    CYS  51           H        CYS  51   9.828  -2.454   0.995
  399    HA   CYS  51           HA       CYS  51   6.967  -1.613   0.724
  400   1HB   CYS  51          2HB       CYS  51   8.352  -4.021   0.051
  401   2HB   CYS  51          1HB       CYS  51   7.438  -4.426   1.466
  402    H    ASP  52           H        ASP  52   7.282  -0.286   2.464
  403    HA   ASP  52           HA       ASP  52   8.080  -0.821   5.098
  404   1HB   ASP  52          2HB       ASP  52   5.877   1.138   4.290
  405   2HB   ASP  52          1HB       ASP  52   7.024   1.299   5.600
  406    H    LEU  53           H        LEU  53   5.587  -2.249   3.580
  407    HA   LEU  53           HA       LEU  53   3.880  -3.717   4.160
  408   1HB   LEU  53          2HB       LEU  53   5.550  -4.357   6.013
  409   2HB   LEU  53          1HB       LEU  53   4.620  -3.358   7.092
  410    HG   LEU  53           HG       LEU  53   3.808  -5.551   7.390
  411   1HD1  LEU  53          2HD1      LEU  53   1.861  -4.023   7.166
  412   2HD1  LEU  53          1HD1      LEU  53   1.748  -4.408   5.450
  413   3HD1  LEU  53          3HD1      LEU  53   1.485  -5.648   6.648
  414   1HD2  LEU  53          3HD2      LEU  53   4.711  -6.621   5.297
  415   2HD2  LEU  53          2HD2      LEU  53   3.020  -7.017   5.537
  416   3HD2  LEU  53          1HD2      LEU  53   3.473  -5.799   4.362
  417    H    ALA  54           H        ALA  54   3.950  -1.539   6.916
  418    HA   ALA  54           HA       ALA  54   1.275  -1.113   7.454
  419   1HB   ALA  54          2HB       ALA  54   3.081   0.013   8.722
  420   2HB   ALA  54          1HB       ALA  54   3.368   1.105   7.372
  421   3HB   ALA  54          3HB       ALA  54   1.844   1.160   8.246
  422    H    LEU  55           H        LEU  55   3.055   0.146   4.741
  423    HA   LEU  55           HA       LEU  55   1.401   2.059   3.673
  424   1HB   LEU  55          2HB       LEU  55   3.538   0.145   2.919
  425   2HB   LEU  55          1HB       LEU  55   2.642   0.733   1.629
  426    HG   LEU  55           HG       LEU  55   4.269   2.369   3.614
  427   1HD1  LEU  55          1HD1      LEU  55   5.484   0.830   1.999
  428   2HD1  LEU  55          3HD1      LEU  55   4.619   1.549   0.657
  429   3HD1  LEU  55          2HD1      LEU  55   5.780   2.478   1.564
  430   1HD2  LEU  55          3HD2      LEU  55   2.313   3.680   2.598
  431   2HD2  LEU  55          2HD2      LEU  55   3.858   4.283   2.069
  432   3HD2  LEU  55          1HD2      LEU  55   2.921   3.278   1.004
  433    H    LEU  56           H        LEU  56   1.910  -1.190   2.713
  434    HA   LEU  56           HA       LEU  56  -0.276  -1.583   0.945
  435   1HB   LEU  56          2HB       LEU  56   1.117  -3.555   2.744
  436   2HB   LEU  56          1HB       LEU  56   0.224  -4.036   1.332
  437    HG   LEU  56           HG       LEU  56   2.225  -4.071   0.287
  438   1HD1  LEU  56          3HD1      LEU  56   2.059  -1.065   0.252
  439   2HD1  LEU  56          2HD1      LEU  56   3.132  -2.037  -0.737
  440   3HD1  LEU  56          1HD1      LEU  56   1.406  -2.189  -0.925
  441   1HD2  LEU  56          2HD2      LEU  56   3.429  -2.307   2.410
  442   2HD2  LEU  56          1HD2      LEU  56   3.531  -4.060   2.232
  443   3HD2  LEU  56          3HD2      LEU  56   4.329  -3.023   1.083
  444    H    GLU  57           H        GLU  57   0.060  -1.938   4.405
  445    HA   GLU  57           HA       GLU  57  -2.441  -3.168   4.870
  446   1HB   GLU  57          2HB       GLU  57  -1.300  -0.986   6.726
  447   2HB   GLU  57          1HB       GLU  57  -2.456  -2.220   7.144
  448   1HG   GLU  57          2HG       GLU  57  -0.754  -3.922   6.457
  449   2HG   GLU  57          1HG       GLU  57   0.438  -2.653   6.390
  450    H    THR  58           H        THR  58  -1.505   0.269   4.722
  451    HA   THR  58           HA       THR  58  -4.268   1.202   4.806
  452    HB   THR  58           HB       THR  58  -2.530   2.637   5.853
  453    HG1  THR  58           HG1      THR  58  -4.049   3.516   3.779
  454   1HG2  THR  58          2HG2      THR  58  -1.289   2.942   3.096
  455   2HG2  THR  58          1HG2      THR  58  -0.822   3.833   4.545
  456   3HG2  THR  58          3HG2      THR  58  -0.570   2.114   4.455
  457    OH   TYR  59           OH       TYR  59   1.138   4.129  -1.947
  458    H    TYR  59           H        TYR  59  -2.460  -0.025   2.162
  459    HA   TYR  59           HA       TYR  59  -3.637   1.760   0.113
  460   1HB   TYR  59          2HB       TYR  59  -1.993  -0.689   0.099
  461   2HB   TYR  59          1HB       TYR  59  -2.962  -0.397  -1.355
  462    HD1  TYR  59           HD2      TYR  59  -2.750   1.891  -2.492
  463    HD2  TYR  59           HD1      TYR  59  -0.112   0.623   0.567
  464    HE1  TYR  59           HE2      TYR  59  -1.169   3.654  -3.123
  465    HE2  TYR  59           HE1      TYR  59   1.449   2.377  -0.045
  466    HH   TYR  59           HH       TYR  59   2.033   3.741  -1.969
  467    H    CYS  60           H        CYS  60  -4.696  -0.947   1.833
  468    HA   CYS  60           HA       CYS  60  -6.550  -2.152   0.194
  469   1HB   CYS  60          2HB       CYS  60  -5.773  -2.580   2.615
  470   2HB   CYS  60          1HB       CYS  60  -7.075  -1.533   3.079
  471    H    ALA  61           H        ALA  61  -8.917  -2.011   0.230
  472    HA   ALA  61           HA       ALA  61  -9.970   0.762   0.562
  473   1HB   ALA  61          2HB       ALA  61  -9.471   0.449  -1.800
  474   2HB   ALA  61          1HB       ALA  61 -10.432  -1.025  -1.831
  475   3HB   ALA  61          3HB       ALA  61 -11.215   0.513  -1.552
  476    H    THR  62           H        THR  62 -11.206   0.134   2.486
  477    HA   THR  62           HA       THR  62 -13.033  -2.023   2.479
  478    HB   THR  62           HB       THR  62 -12.812  -1.356   4.671
  479    HG1  THR  62           HG1      THR  62 -14.760  -0.502   4.973
  480   1HG2  THR  62          2HG2      THR  62 -12.057   1.487   3.901
  481   2HG2  THR  62          1HG2      THR  62 -12.090   0.829   5.509
  482   3HG2  THR  62          3HG2      THR  62 -10.957   0.195   4.348
  483    HA   PRO  63           HA       PRO  63 -16.479   0.613   0.971
  484   1HB   PRO  63          2HB       PRO  63 -16.153   3.040   0.143
  485   2HB   PRO  63          1HB       PRO  63 -16.095   2.640   1.894
  486   1HG   PRO  63          2HG       PRO  63 -13.676   2.960   0.042
  487   2HG   PRO  63          1HG       PRO  63 -14.017   3.917   1.494
  488   1HD   PRO  63          2HD       PRO  63 -12.554   1.660   1.680
  489   2HD   PRO  63          1HD       PRO  63 -13.760   2.037   2.943
  490    H    ALA  64           H        ALA  64 -15.673  -1.159  -0.284
  491    HA   ALA  64           HA       ALA  64 -15.050  -0.446  -3.119
  492   1HB   ALA  64          3HB       ALA  64 -14.146  -2.871  -1.475
  493   2HB   ALA  64          2HB       ALA  64 -13.784  -2.666  -3.174
  494   3HB   ALA  64          1HB       ALA  64 -13.104  -1.570  -1.989
  495    H    LYS  65           H        LYS  65 -16.213  -1.921  -4.734
  496    HA   LYS  65           HA       LYS  65 -18.799  -2.467  -4.024
  497   1HB   LYS  65          2HB       LYS  65 -18.618  -3.482  -6.253
  498   2HB   LYS  65          1HB       LYS  65 -18.099  -1.842  -6.258
  499   1HG   LYS  65          2HG       LYS  65 -15.977  -2.479  -6.987
  500   2HG   LYS  65          1HG       LYS  65 -15.848  -3.746  -5.783
  501   1HD   LYS  65          2HD       LYS  65 -17.460  -4.077  -8.364
  502   2HD   LYS  65          1HD       LYS  65 -15.767  -4.521  -8.206
  503   1HE   LYS  65          2HE       LYS  65 -16.318  -6.126  -6.388
  504   2HE   LYS  65          1HE       LYS  65 -18.021  -5.716  -6.514
  505   1HZ   LYS  65          2HZ       LYS  65 -17.092  -6.451  -9.085
  506   2HZ   LYS  65          1HZ       LYS  65 -16.573  -7.585  -7.935
  507   3HZ   LYS  65          3HZ       LYS  65 -18.213  -7.251  -8.073
  508    H    SER  66           H        SER  66 -18.906  -3.923  -2.235
  509    HA   SER  66           HA       SER  66 -17.428  -6.251  -1.896
  510   1HB   SER  66          2HB       SER  66 -20.392  -5.940  -1.212
  511   2HB   SER  66          1HB       SER  66 -19.167  -6.839  -0.292
  512    HG   SER  66           HG       SER  66 -18.199  -4.943   0.273
  513    H    GLU  67           HN       GLU  67 -17.902  -8.487  -2.257
  514    HA   GLU  67           HA       GLU  67 -19.591  -9.111  -4.608
  515   1HB   GLU  67          2HB       GLU  67 -16.847 -10.270  -3.911
  516   2HB   GLU  67          1HB       GLU  67 -17.789 -10.650  -5.332
  517   1HG   GLU  67          2HG       GLU  67 -17.580  -8.333  -6.145
  518   2HG   GLU  67          1HG       GLU  67 -16.733  -7.850  -4.685
   
  Start of MODEL           2
 Raw file had  518 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          2H        ALA   1  12.500  -1.555   9.067
    2   2H    ALA   1          1H        ALA   1  13.020  -1.342   7.449
    3   3H    ALA   1          3H        ALA   1  11.383  -1.408   7.776
    4    HA   ALA   1           HA       ALA   1  11.357  -3.576   7.512
    5   1HB   ALA   1          3HB       ALA   1  14.427  -3.404   7.368
    6   2HB   ALA   1          2HB       ALA   1  13.467  -4.775   6.844
    7   3HB   ALA   1          1HB       ALA   1  13.345  -3.250   5.985
    8    OH   TYR   2           OH       TYR   2   6.534  -4.506   9.216
    9    H    TYR   2           H        TYR   2  12.299  -5.685   8.598
   10    HA   TYR   2           HA       TYR   2  13.656  -5.686  11.079
   11   1HB   TYR   2          2HB       TYR   2  11.436  -6.232  12.468
   12   2HB   TYR   2          1HB       TYR   2  11.864  -4.556  12.232
   13    HD1  TYR   2           HD2      TYR   2   9.632  -7.251  11.003
   14    HD2  TYR   2           HD1      TYR   2  10.454  -3.080  10.961
   15    HE1  TYR   2           HE2      TYR   2   7.465  -6.819   9.907
   16    HE2  TYR   2           HE1      TYR   2   8.306  -2.660   9.883
   17    HH   TYR   2           HH       TYR   2   6.535  -3.675   8.709
   18    NH1  ARG   3           NH2      ARG   3   5.912 -12.559  10.064
   19    NH2  ARG   3           NH1      ARG   3   4.512 -10.806   9.519
   20    H    ARG   3           H        ARG   3  10.934  -6.961   9.262
   21    HA   ARG   3           HA       ARG   3  11.688  -9.758   9.823
   22   1HB   ARG   3          2HB       ARG   3   9.501  -8.428   8.153
   23   2HB   ARG   3          1HB       ARG   3   9.884 -10.093   7.843
   24   1HG   ARG   3          2HG       ARG   3   9.305 -10.698  10.191
   25   2HG   ARG   3          1HG       ARG   3   8.894  -9.030  10.542
   26   1HD   ARG   3          2HD       ARG   3   7.163  -9.078   8.708
   27   2HD   ARG   3          1HD       ARG   3   7.587 -10.748   8.376
   28    HE   ARG   3           HE       ARG   3   6.665 -10.091  11.142
   29   1HH1  ARG   3          1HH2      ARG   3   6.822 -12.821  10.385
   30   2HH1  ARG   3          2HH2      ARG   3   5.250 -13.280   9.859
   31   1HH2  ARG   3          2HH1      ARG   3   4.413  -9.811   9.453
   32   2HH2  ARG   3          1HH1      ARG   3   3.739 -11.387   9.266
   33    HA   PRO   4           HA       PRO   4  13.969  -9.917   5.867
   34   1HB   PRO   4          2HB       PRO   4  13.669 -12.497   5.093
   35   2HB   PRO   4          1HB       PRO   4  14.626 -12.112   6.531
   36   1HG   PRO   4          2HG       PRO   4  11.650 -12.815   6.394
   37   2HG   PRO   4          1HG       PRO   4  12.888 -13.648   7.348
   38   1HD   PRO   4          2HD       PRO   4  11.367 -11.726   8.515
   39   2HD   PRO   4          1HD       PRO   4  13.109 -11.761   8.879
   40    H    SER   5           H        SER   5  12.064  -8.488   5.564
   41    HA   SER   5           HA       SER   5   9.845  -9.368   3.913
   42   1HB   SER   5          2HB       SER   5  10.839  -6.527   4.542
   43   2HB   SER   5          1HB       SER   5   9.231  -6.945   3.938
   44    HG   SER   5           HG       SER   5   8.731  -7.404   5.925
   45    H    GLU   6           H        GLU   6   9.472  -7.631   1.924
   46    HA   GLU   6           HA       GLU   6  11.829  -7.569   0.164
   47   1HB   GLU   6          2HB       GLU   6  10.346  -8.654  -1.638
   48   2HB   GLU   6          1HB       GLU   6  10.833  -9.744  -0.346
   49   1HG   GLU   6          2HG       GLU   6   8.621  -9.369   0.786
   50   2HG   GLU   6          1HG       GLU   6   8.139  -8.233  -0.453
   51    H    THR   7           H        THR   7  11.294  -6.357  -1.876
   52    HA   THR   7           HA       THR   7   9.466  -4.096  -1.299
   53    HB   THR   7           HB       THR   7  10.919  -2.918  -3.069
   54    HG1  THR   7           HG1      THR   7  12.028  -4.291  -4.182
   55   1HG2  THR   7          3HG2      THR   7  11.590  -2.891  -0.567
   56   2HG2  THR   7          2HG2      THR   7  12.538  -4.340  -0.876
   57   3HG2  THR   7          1HG2      THR   7  12.958  -2.828  -1.665
   58    H    LEU   8           H        LEU   8  10.065  -6.661  -3.564
   59    HA   LEU   8           HA       LEU   8   8.897  -7.331  -5.508
   60   1HB   LEU   8          2HB       LEU   8   6.607  -5.597  -4.516
   61   2HB   LEU   8          1HB       LEU   8   6.482  -7.151  -5.326
   62    HG   LEU   8           HG       LEU   8   7.886  -7.526  -2.788
   63   1HD1  LEU   8          2HD1      LEU   8   5.237  -6.040  -2.584
   64   2HD1  LEU   8          1HD1      LEU   8   6.130  -6.776  -1.254
   65   3HD1  LEU   8          3HD1      LEU   8   6.806  -5.400  -2.106
   66   1HD2  LEU   8          2HD2      LEU   8   5.093  -8.263  -3.622
   67   2HD2  LEU   8          1HD2      LEU   8   6.569  -9.205  -3.895
   68   3HD2  LEU   8          3HD2      LEU   8   5.997  -8.919  -2.264
   69    H    CYS   9           H        CYS   9   6.796  -5.473  -6.580
   70    HA   CYS   9           HA       CYS   9   7.362  -2.910  -7.215
   71   1HB   CYS   9          2HB       CYS   9   9.647  -3.492  -7.986
   72   2HB   CYS   9          1HB       CYS   9   9.007  -4.623  -9.137
   73    H    GLY  10           H        GLY  10   6.357  -5.811  -8.422
   74   1HA   GLY  10          2HA       GLY  10   4.305  -4.435 -10.111
   75   2HA   GLY  10          1HA       GLY  10   5.324  -5.601 -10.924
   76    H    GLY  11           H        GLY  11   4.307  -7.555 -11.184
   77   1HA   GLY  11          2HA       GLY  11   1.829  -8.348 -10.409
   78   2HA   GLY  11          1HA       GLY  11   3.146  -9.516 -10.507
   79    H    GLU  12           H        GLU  12   4.648  -9.305  -8.479
   80    HA   GLU  12           HA       GLU  12   3.146 -10.190  -6.230
   81   1HB   GLU  12          2HB       GLU  12   6.009  -9.139  -6.257
   82   2HB   GLU  12          1HB       GLU  12   5.267 -10.255  -5.125
   83   1HG   GLU  12          2HG       GLU  12   5.238 -12.056  -6.627
   84   2HG   GLU  12          1HG       GLU  12   5.096 -11.041  -8.035
   85    H    LEU  13           H        LEU  13   4.308  -7.029  -7.139
   86    HA   LEU  13           HA       LEU  13   3.842  -5.841  -4.520
   87   1HB   LEU  13          2HB       LEU  13   5.390  -4.649  -5.753
   88   2HB   LEU  13          1HB       LEU  13   4.600  -4.809  -7.285
   89    HG   LEU  13           HG       LEU  13   3.297  -3.298  -5.109
   90   1HD1  LEU  13          1HD1      LEU  13   5.650  -2.531  -5.162
   91   2HD1  LEU  13          3HD1      LEU  13   5.466  -2.158  -6.881
   92   3HD1  LEU  13          2HD1      LEU  13   4.525  -1.294  -5.690
   93   1HD2  LEU  13          2HD2      LEU  13   2.263  -3.573  -7.409
   94   2HD2  LEU  13          1HD2      LEU  13   2.606  -1.881  -7.048
   95   3HD2  LEU  13          3HD2      LEU  13   3.684  -2.788  -8.095
   96    H    VAL  14           H        VAL  14   1.854  -6.945  -7.006
   97    HA   VAL  14           HA       VAL  14  -0.415  -5.150  -6.231
   98    HB   VAL  14           HB       VAL  14  -0.309  -7.440  -8.311
   99   1HG1  VAL  14          3HG1      VAL  14  -2.428  -5.261  -7.903
  100   2HG1  VAL  14          2HG1      VAL  14  -2.431  -6.470  -9.176
  101   3HG1  VAL  14          1HG1      VAL  14  -2.636  -6.961  -7.508
  102   1HG2  VAL  14          2HG2      VAL  14  -0.173  -4.415  -8.722
  103   2HG2  VAL  14          1HG2      VAL  14   1.166  -5.526  -8.918
  104   3HG2  VAL  14          3HG2      VAL  14  -0.201  -5.614 -10.006
  105    H    ASP  15           H        ASP  15   0.638  -8.487  -6.419
  106    HA   ASP  15           HA       ASP  15  -1.483  -9.715  -4.983
  107   1HB   ASP  15          2HB       ASP  15   0.352 -10.865  -6.392
  108   2HB   ASP  15          1HB       ASP  15   1.396 -10.658  -4.993
  109    H    THR  16           H        THR  16   1.446  -8.170  -3.829
  110    HA   THR  16           HA       THR  16   1.475  -9.130  -1.189
  111    HB   THR  16           HB       THR  16   3.305  -7.631  -2.150
  112    HG1  THR  16           HG1      THR  16   3.646  -7.304  -0.100
  113   1HG2  THR  16          3HG2      THR  16   1.763  -5.760  -3.055
  114   2HG2  THR  16          2HG2      THR  16   1.443  -5.299  -1.397
  115   3HG2  THR  16          1HG2      THR  16   3.065  -5.195  -2.028
  116    H    LEU  17           H        LEU  17  -0.148  -6.131  -2.345
  117    HA   LEU  17           HA       LEU  17  -1.508  -5.473   0.008
  118   1HB   LEU  17          2HB       LEU  17  -2.516  -5.446  -2.762
  119   2HB   LEU  17          1HB       LEU  17  -3.143  -4.392  -1.524
  120    HG   LEU  17           HG       LEU  17  -0.213  -4.122  -2.459
  121   1HD1  LEU  17          3HD1      LEU  17  -1.719  -3.592  -4.319
  122   2HD1  LEU  17          2HD1      LEU  17  -2.569  -2.426  -3.269
  123   3HD1  LEU  17          1HD1      LEU  17  -0.921  -2.158  -3.723
  124   1HD2  LEU  17          1HD2      LEU  17  -2.150  -2.261  -1.064
  125   2HD2  LEU  17          3HD2      LEU  17  -0.831  -3.135  -0.306
  126   3HD2  LEU  17          2HD2      LEU  17  -0.497  -1.878  -1.475
  127    H    GLN  18           H        GLN  18  -2.234  -7.875  -2.514
  128    HA   GLN  18           HA       GLN  18  -4.833  -8.546  -1.673
  129   1HB   GLN  18          2HB       GLN  18  -3.338  -9.573  -3.647
  130   2HB   GLN  18          1HB       GLN  18  -2.759 -10.714  -2.462
  131   1HG   GLN  18          2HG       GLN  18  -4.523 -11.784  -3.602
  132   2HG   GLN  18          1HG       GLN  18  -5.141 -11.382  -2.002
  133   1HE2  GLN  18          2HE2      GLN  18  -7.690  -9.376  -3.359
  134   2HE2  GLN  18          1HE2      GLN  18  -7.095 -10.222  -2.011
  135    H    PHE  19           H        PHE  19  -1.789  -9.334  -0.281
  136    HA   PHE  19           HA       PHE  19  -2.996 -11.018   1.826
  137   1HB   PHE  19          2HB       PHE  19  -0.851 -11.857   2.118
  138   2HB   PHE  19          1HB       PHE  19  -0.433 -11.003   0.654
  139    HD1  PHE  19           HD1      PHE  19  -0.759 -10.183   4.342
  140    HD2  PHE  19           HD2      PHE  19   1.495  -9.714   0.772
  141    HE1  PHE  19           HE1      PHE  19   0.869  -8.849   5.574
  142    HE2  PHE  19           HE2      PHE  19   3.145  -8.374   2.008
  143    HZ   PHE  19           HZ       PHE  19   2.886  -7.977   4.370
  144    H    VAL  20           H        VAL  20  -1.273  -7.718   1.681
  145    HA   VAL  20           HA       VAL  20  -1.834  -7.337   4.430
  146    HB   VAL  20           HB       VAL  20  -1.452  -4.940   2.659
  147   1HG1  VAL  20          1HG1      VAL  20  -1.250  -5.034   5.104
  148   2HG1  VAL  20          3HG1      VAL  20   0.098  -6.160   4.891
  149   3HG1  VAL  20          2HG1      VAL  20   0.203  -4.508   4.251
  150   1HG2  VAL  20          3HG2      VAL  20   0.590  -7.156   2.782
  151   2HG2  VAL  20          2HG2      VAL  20  -0.044  -6.464   1.317
  152   3HG2  VAL  20          1HG2      VAL  20   1.039  -5.562   2.312
  153    H    CYS  21           H        CYS  21  -3.228  -5.830   1.458
  154    HA   CYS  21           HA       CYS  21  -5.282  -4.506   2.831
  155   1HB   CYS  21          2HB       CYS  21  -4.669  -4.025   0.580
  156   2HB   CYS  21          1HB       CYS  21  -5.145  -5.547   0.045
  157    H    GLY  22           H        GLY  22  -5.319  -7.667   1.307
  158   1HA   GLY  22          2HA       GLY  22  -6.580  -9.594   1.781
  159   2HA   GLY  22          1HA       GLY  22  -7.054  -8.826   3.281
  160    H    ASP  23           H        ASP  23  -9.012  -9.644   3.207
  161    HA   ASP  23           HA       ASP  23 -10.973  -9.706   1.237
  162   1HB   ASP  23          2HB       ASP  23 -11.424  -9.489   4.235
  163   2HB   ASP  23          1HB       ASP  23 -12.496 -10.240   3.076
  164    NH1  ARG  24           NH2      ARG  24  -8.197  -1.114   3.777
  165    NH2  ARG  24           NH1      ARG  24  -9.171  -1.586   5.814
  166    H    ARG  24           H        ARG  24 -10.301  -7.176   0.684
  167    HA   ARG  24           HA       ARG  24 -12.798  -5.760   1.061
  168   1HB   ARG  24          2HB       ARG  24 -11.822  -3.828   2.286
  169   2HB   ARG  24          1HB       ARG  24 -11.810  -5.284   3.250
  170   1HG   ARG  24          2HG       ARG  24  -9.341  -5.618   2.474
  171   2HG   ARG  24          1HG       ARG  24  -9.464  -4.033   1.794
  172   1HD   ARG  24          2HD       ARG  24 -10.150  -4.492   4.754
  173   2HD   ARG  24          1HD       ARG  24  -8.504  -4.204   4.203
  174    HE   ARG  24           HE       ARG  24 -10.596  -2.230   3.365
  175   1HH1  ARG  24          1HH2      ARG  24  -8.199  -1.376   2.806
  176   2HH1  ARG  24          2HH2      ARG  24  -7.554  -0.421   4.105
  177   1HH2  ARG  24          2HH1      ARG  24  -9.870  -2.110   6.306
  178   2HH2  ARG  24          1HH1      ARG  24  -8.578  -0.966   6.331
  179    H    GLY  25           H        GLY  25  -9.545  -6.011  -0.094
  180   1HA   GLY  25          2HA       GLY  25  -8.791  -5.493  -2.242
  181   2HA   GLY  25          1HA       GLY  25 -10.324  -4.724  -2.560
  182    H    PHE  26           H        PHE  26  -7.430  -4.001  -2.915
  183    HA   PHE  26           HA       PHE  26  -7.193  -1.465  -1.408
  184   1HB   PHE  26          2HB       PHE  26  -4.916  -1.517  -2.901
  185   2HB   PHE  26          1HB       PHE  26  -4.952  -2.397  -1.413
  186    HD1  PHE  26           HD1      PHE  26  -5.993  -4.802  -1.576
  187    HD2  PHE  26           HD2      PHE  26  -4.247  -2.741  -4.842
  188    HE1  PHE  26           HE1      PHE  26  -5.607  -6.902  -2.611
  189    HE2  PHE  26           HE2      PHE  26  -3.836  -4.869  -5.933
  190    HZ   PHE  26           HZ       PHE  26  -4.500  -7.003  -4.856
  191    OH   TYR  27           OH       TYR  27 -13.276   2.151  -2.204
  192    H    TYR  27           H        TYR  27  -6.413   0.386  -2.651
  193    HA   TYR  27           HA       TYR  27  -8.056   0.403  -5.190
  194   1HB   TYR  27          2HB       TYR  27  -7.203   2.697  -3.310
  195   2HB   TYR  27          1HB       TYR  27  -7.774   3.012  -4.934
  196    HD1  TYR  27           HD2      TYR  27  -9.998   0.772  -4.965
  197    HD2  TYR  27           HD1      TYR  27  -9.022   3.749  -2.076
  198    HE1  TYR  27           HE2      TYR  27 -12.279   0.726  -4.145
  199    HE2  TYR  27           HE1      TYR  27 -11.346   3.687  -1.266
  200    HH   TYR  27           HH       TYR  27 -13.444   1.303  -1.768
  201    H    PHE  28           H        PHE  28  -4.943   0.274  -4.131
  202    HA   PHE  28           HA       PHE  28  -2.820   0.479  -5.205
  203   1HB   PHE  28          2HB       PHE  28  -4.238  -1.291  -6.595
  204   2HB   PHE  28          1HB       PHE  28  -4.434   0.011  -7.738
  205    HD1  PHE  28           HD2      PHE  28  -1.801  -1.868  -5.920
  206    HD2  PHE  28           HD1      PHE  28  -2.790   0.325  -9.422
  207    HE1  PHE  28           HE2      PHE  28   0.344  -2.506  -6.903
  208    HE2  PHE  28           HE1      PHE  28  -0.637  -0.311 -10.420
  209    HZ   PHE  28           HZ       PHE  28   0.948  -1.730  -9.165
  210    H    SER  29           H        SER  29  -4.789   2.733  -5.039
  211    HA   SER  29           HA       SER  29  -3.270   4.735  -6.476
  212   1HB   SER  29          2HB       SER  29  -6.283   4.546  -6.995
  213   2HB   SER  29          1HB       SER  29  -5.151   5.485  -7.939
  214    HG   SER  29           HG       SER  29  -5.713   2.772  -7.921
  215    NH1  ARG  30           NH1      ARG  30  -9.353   6.888   0.312
  216    NH2  ARG  30           NH2      ARG  30  -7.838   6.723   2.026
  217    H    ARG  30           H        ARG  30  -4.024   4.047  -3.616
  218    HA   ARG  30           HA       ARG  30  -6.057   6.056  -3.080
  219   1HB   ARG  30          2HB       ARG  30  -5.406   3.757  -1.796
  220   2HB   ARG  30          1HB       ARG  30  -4.520   4.908  -0.799
  221   1HG   ARG  30          2HG       ARG  30  -6.517   6.307  -0.560
  222   2HG   ARG  30          1HG       ARG  30  -7.428   5.268  -1.633
  223   1HD   ARG  30          2HD       ARG  30  -7.157   3.381  -0.019
  224   2HD   ARG  30          1HD       ARG  30  -6.270   4.468   1.037
  225    HE   ARG  30           HE       ARG  30  -9.100   4.311   1.048
  226   1HH1  ARG  30          2HH1      ARG  30  -9.869   6.475  -0.439
  227   2HH1  ARG  30          1HH1      ARG  30  -9.505   7.874   0.456
  228   1HH2  ARG  30          1HH2      ARG  30  -7.232   6.127   2.552
  229   2HH2  ARG  30          2HH2      ARG  30  -7.899   7.697   2.252
  230    HA   PRO  31           HA       PRO  31  -2.837   8.857  -1.210
  231   1HB   PRO  31          2HB       PRO  31  -0.227   8.550  -1.486
  232   2HB   PRO  31          1HB       PRO  31  -1.128   7.351  -0.581
  233   1HG   PRO  31          2HG       PRO  31  -0.422   7.149  -3.569
  234   2HG   PRO  31          1HG       PRO  31   0.014   6.033  -2.287
  235   1HD   PRO  31          2HD       PRO  31  -2.285   5.762  -3.819
  236   2HD   PRO  31          1HD       PRO  31  -2.220   5.156  -2.145
  237    H    ALA  32           H        ALA  32  -0.392   9.336  -3.021
  238    HA   ALA  32           HA       ALA  32  -1.657  10.684  -5.341
  239   1HB   ALA  32          1HB       ALA  32  -1.214  12.323  -3.459
  240   2HB   ALA  32          3HB       ALA  32   0.466  11.798  -3.443
  241   3HB   ALA  32          2HB       ALA  32  -0.172  12.650  -4.846
  242    H    SER  33           H        SER  33   0.640  11.499  -6.578
  243    HA   SER  33           HA       SER  33   2.755   9.509  -6.426
  244   1HB   SER  33          2HB       SER  33   1.250   9.636  -9.090
  245   2HB   SER  33          1HB       SER  33   2.458   8.470  -8.584
  246    HG   SER  33           HG       SER  33   0.673   8.198  -6.760
  247    NH1  ARG  34           NH2      ARG  34   8.973  10.822 -12.687
  248    NH2  ARG  34           NH1      ARG  34   7.543  12.625 -12.698
  249    H    ARG  34           H        ARG  34   3.792   9.910  -8.905
  250    HA   ARG  34           HA       ARG  34   4.403  12.850  -8.908
  251   1HB   ARG  34          2HB       ARG  34   6.614  12.121  -9.834
  252   2HB   ARG  34          1HB       ARG  34   6.282  11.605  -8.198
  253   1HG   ARG  34          2HG       ARG  34   6.409   9.408  -8.730
  254   2HG   ARG  34          1HG       ARG  34   5.272   9.536 -10.048
  255   1HD   ARG  34          2HD       ARG  34   8.240  10.155 -10.153
  256   2HD   ARG  34          1HD       ARG  34   7.396   8.788 -10.881
  257    HE   ARG  34           HE       ARG  34   6.020  10.689 -12.110
  258   1HH1  ARG  34          1HH2      ARG  34   9.087   9.866 -12.414
  259   2HH1  ARG  34          2HH2      ARG  34   9.724  11.287 -13.154
  260   1HH2  ARG  34          2HH1      ARG  34   6.630  12.964 -12.434
  261   2HH2  ARG  34          1HH1      ARG  34   8.177  13.237 -13.165
  262    H    VAL  35           H        VAL  35   2.371  11.337 -10.514
  263    HA   VAL  35           HA       VAL  35   3.268  12.025 -13.231
  264    HB   VAL  35           HB       VAL  35   1.485   9.970 -11.883
  265   1HG1  VAL  35          3HG1      VAL  35   0.978  10.823 -14.709
  266   2HG1  VAL  35          2HG1      VAL  35   0.307   9.397 -13.888
  267   3HG1  VAL  35          1HG1      VAL  35  -0.111  11.006 -13.328
  268   1HG2  VAL  35          3HG2      VAL  35   3.767   9.395 -12.689
  269   2HG2  VAL  35          2HG2      VAL  35   2.556   8.471 -13.544
  270   3HG2  VAL  35          1HG2      VAL  35   3.315   9.851 -14.327
  271    H    SER  36           H        SER  36   1.855  13.286 -10.812
  272    HA   SER  36           HA       SER  36   0.478  15.027 -10.279
  273   1HB   SER  36          2HB       SER  36   1.102  15.656 -13.176
  274   2HB   SER  36          1HB       SER  36   0.369  16.759 -11.990
  275    HG   SER  36           HG       SER  36   2.407  17.010 -11.266
  276    NH1  ARG  37           NH2      ARG  37  -2.425  16.431 -18.264
  277    NH2  ARG  37           NH1      ARG  37  -1.390  14.504 -18.961
  278    H    ARG  37           H        ARG  37  -0.564  12.775 -12.051
  279    HA   ARG  37           HA       ARG  37  -3.402  13.721 -12.052
  280   1HB   ARG  37          2HB       ARG  37  -2.263  11.931 -14.231
  281   2HB   ARG  37          1HB       ARG  37  -3.861  12.656 -14.195
  282   1HG   ARG  37          2HG       ARG  37  -2.765  14.933 -14.266
  283   2HG   ARG  37          1HG       ARG  37  -1.219  14.121 -14.445
  284   1HD   ARG  37          2HD       ARG  37  -2.236  12.931 -16.520
  285   2HD   ARG  37          1HD       ARG  37  -3.555  14.101 -16.399
  286    HE   ARG  37           HE       ARG  37  -0.939  15.367 -16.273
  287   1HH1  ARG  37          1HH2      ARG  37  -2.758  16.961 -17.483
  288   2HH1  ARG  37          2HH2      ARG  37  -2.565  16.788 -19.188
  289   1HH2  ARG  37          2HH1      ARG  37  -0.960  13.645 -18.681
  290   2HH2  ARG  37          1HH1      ARG  37  -1.465  14.713 -19.935
  291    NH1  ARG  38           NH2      ARG  38  -7.443  11.236 -15.247
  292    NH2  ARG  38           NH1      ARG  38  -9.332  11.529 -13.962
  293    H    ARG  38           H        ARG  38  -4.735  12.312 -11.097
  294    HA   ARG  38           HA       ARG  38  -5.453  10.458  -9.894
  295   1HB   ARG  38          2HB       ARG  38  -3.744   8.855 -11.853
  296   2HB   ARG  38          1HB       ARG  38  -5.195   8.319 -11.038
  297   1HG   ARG  38          2HG       ARG  38  -5.074  10.411 -13.255
  298   2HG   ARG  38          1HG       ARG  38  -5.636   8.761 -13.418
  299   1HD   ARG  38          2HD       ARG  38  -7.382   9.443 -11.529
  300   2HD   ARG  38          1HD       ARG  38  -6.999  11.091 -12.020
  301    HE   ARG  38           HE       ARG  38  -8.225   9.002 -13.765
  302   1HH1  ARG  38          1HH2      ARG  38  -6.610  10.697 -15.375
  303   2HH1  ARG  38          2HH2      ARG  38  -7.642  11.994 -15.869
  304   1HH2  ARG  38          2HH1      ARG  38  -9.844  11.199 -13.168
  305   2HH2  ARG  38          1HH1      ARG  38  -9.695  12.309 -14.472
  306    H    SER  39           H        SER  39  -4.187   8.031  -9.342
  307    HA   SER  39           HA       SER  39  -1.578   8.664  -8.126
  308   1HB   SER  39          2HB       SER  39  -3.940   7.491  -6.541
  309   2HB   SER  39          1HB       SER  39  -2.343   7.879  -5.885
  310    HG   SER  39           HG       SER  39  -3.760   9.593  -5.518
  311    NH1  ARG  40           NH1      ARG  40   1.611   2.944 -13.738
  312    NH2  ARG  40           NH2      ARG  40  -0.561   2.508 -14.306
  313    H    ARG  40           H        ARG  40  -0.307   6.698  -8.256
  314    HA   ARG  40           HA       ARG  40  -1.663   4.398  -9.485
  315   1HB   ARG  40          2HB       ARG  40   0.783   5.822  -9.863
  316   2HB   ARG  40          1HB       ARG  40   1.276   4.307  -9.196
  317   1HG   ARG  40          2HG       ARG  40  -0.626   4.676 -11.502
  318   2HG   ARG  40          1HG       ARG  40   1.118   4.518 -11.708
  319   1HD   ARG  40          2HD       ARG  40   0.877   2.292 -10.337
  320   2HD   ARG  40          1HD       ARG  40  -0.866   2.404 -10.625
  321    HE   ARG  40           HE       ARG  40   0.320   0.927 -12.297
  322   1HH1  ARG  40          2HH1      ARG  40   2.317   2.859 -13.037
  323   2HH1  ARG  40          1HH1      ARG  40   1.838   3.392 -14.603
  324   1HH2  ARG  40          1HH2      ARG  40  -1.443   2.112 -14.048
  325   2HH2  ARG  40          2HH2      ARG  40  -0.476   2.928 -15.210
  326    H    GLY  41           H        GLY  41  -0.166   2.360  -8.883
  327   1HA   GLY  41          2HA       GLY  41  -1.014   1.390  -6.359
  328   2HA   GLY  41          1HA       GLY  41   0.201   0.643  -7.386
  329    H    ILE  42           H        ILE  42   1.065   0.201  -5.132
  330    HA   ILE  42           HA       ILE  42   2.008   2.284  -3.555
  331    HB   ILE  42           HB       ILE  42   4.052   0.513  -3.192
  332   1HG1  ILE  42          2HG1      ILE  42   2.695  -1.131  -4.844
  333   2HG1  ILE  42          1HG1      ILE  42   3.279  -1.727  -3.308
  334   1HG2  ILE  42          3HG2      ILE  42   1.317   0.695  -2.084
  335   2HG2  ILE  42          2HG2      ILE  42   2.695  -0.111  -1.307
  336   3HG2  ILE  42          1HG2      ILE  42   2.743   1.641  -1.632
  337   1HD1  ILE  42          3HD1      ILE  42   0.462  -0.659  -3.747
  338   2HD1  ILE  42          2HD1      ILE  42   0.990  -2.353  -3.754
  339   3HD1  ILE  42          1HD1      ILE  42   1.123  -1.364  -2.316
  340    H    VAL  43           H        VAL  43   3.451   0.309  -5.664
  341    HA   VAL  43           HA       VAL  43   5.490   0.086  -6.914
  342    HB   VAL  43           HB       VAL  43   5.413   2.255  -8.638
  343   1HG1  VAL  43          3HG1      VAL  43   3.740  -0.251  -8.666
  344   2HG1  VAL  43          2HG1      VAL  43   4.139   0.741 -10.069
  345   3HG1  VAL  43          1HG1      VAL  43   5.407  -0.100  -9.194
  346   1HG2  VAL  43          1HG2      VAL  43   3.401   3.260  -7.464
  347   2HG2  VAL  43          3HG2      VAL  43   3.073   2.781  -9.119
  348   3HG2  VAL  43          2HG2      VAL  43   2.550   1.766  -7.795
  349    H    GLU  44           H        GLU  44   6.122   3.477  -7.510
  350    HA   GLU  44           HA       GLU  44   8.710   3.375  -6.887
  351   1HB   GLU  44          2HB       GLU  44   6.761   5.591  -6.346
  352   2HB   GLU  44          1HB       GLU  44   8.492   5.836  -6.178
  353   1HG   GLU  44          2HG       GLU  44   8.872   5.214  -8.496
  354   2HG   GLU  44          1HG       GLU  44   7.222   4.678  -8.713
  355    H    GLU  45           H        GLU  45   6.293   3.341  -4.307
  356    HA   GLU  45           HA       GLU  45   8.447   3.769  -2.292
  357   1HB   GLU  45          2HB       GLU  45   5.888   2.747  -1.286
  358   2HB   GLU  45          1HB       GLU  45   6.821   4.140  -0.744
  359   1HG   GLU  45          2HG       GLU  45   5.996   5.341  -2.829
  360   2HG   GLU  45          1HG       GLU  45   5.164   3.861  -3.149
  361    H    CYS  46           H        CYS  46   6.371   1.195  -3.551
  362    HA   CYS  46           HA       CYS  46   7.660  -0.737  -1.683
  363   1HB   CYS  46          2HB       CYS  46   5.178  -0.976  -2.115
  364   2HB   CYS  46          1HB       CYS  46   5.484  -1.099  -3.810
  365    H    CYS  47           H        CYS  47   7.007  -0.426  -5.121
  366    HA   CYS  47           HA       CYS  47   8.825  -2.216  -6.169
  367   1HB   CYS  47          2HB       CYS  47   7.333  -0.929  -7.736
  368   2HB   CYS  47          1HB       CYS  47   8.187   0.534  -7.329
  369    H    PHE  48           H        PHE  48   9.494   1.400  -5.662
  370    HA   PHE  48           HA       PHE  48  12.313   0.855  -5.851
  371   1HB   PHE  48          2HB       PHE  48  10.389   3.037  -6.108
  372   2HB   PHE  48          1HB       PHE  48  11.905   3.516  -5.597
  373    HD1  PHE  48           HD2      PHE  48  11.225   0.727  -7.994
  374    HD2  PHE  48           HD1      PHE  48  12.258   4.849  -7.658
  375    HE1  PHE  48           HE2      PHE  48  11.637   0.810 -10.382
  376    HE2  PHE  48           HE1      PHE  48  12.678   4.941 -10.059
  377    HZ   PHE  48           HZ       PHE  48  12.389   2.912 -11.452
  378    NH1  ARG  49           NH1      ARG  49  11.321   7.903  -2.232
  379    NH2  ARG  49           NH2      ARG  49  13.088   8.186  -0.786
  380    H    ARG  49           H        ARG  49  10.067   2.360  -3.240
  381    HA   ARG  49           HA       ARG  49  12.562   2.389  -1.556
  382   1HB   ARG  49          2HB       ARG  49   9.717   3.260  -0.856
  383   2HB   ARG  49          1HB       ARG  49  11.138   3.514   0.110
  384   1HG   ARG  49          2HG       ARG  49  10.902   4.602  -2.720
  385   2HG   ARG  49          1HG       ARG  49  10.478   5.531  -1.290
  386   1HD   ARG  49          2HD       ARG  49  12.853   5.166  -0.410
  387   2HD   ARG  49          1HD       ARG  49  13.245   4.334  -1.905
  388    HE   ARG  49           HE       ARG  49  13.583   6.429  -2.891
  389   1HH1  ARG  49          2HH1      ARG  49  10.909   7.321  -2.933
  390   2HH1  ARG  49          1HH1      ARG  49  10.853   8.744  -1.968
  391   1HH2  ARG  49          1HH2      ARG  49  13.936   7.794  -0.431
  392   2HH2  ARG  49          2HH2      ARG  49  12.775   9.061  -0.422
  393    H    SER  50           H        SER  50  10.408   1.798   0.614
  394    HA   SER  50           HA       SER  50  10.755  -1.150   0.526
  395   1HB   SER  50          2HB       SER  50  11.173  -0.901   3.115
  396   2HB   SER  50          1HB       SER  50  12.477  -0.492   1.982
  397    HG   SER  50           HG       SER  50  11.195   1.080   3.711
  398    H    CYS  51           H        CYS  51   8.877  -2.117   0.458
  399    HA   CYS  51           HA       CYS  51   6.476  -0.988   1.684
  400   1HB   CYS  51          2HB       CYS  51   6.149  -3.739   0.816
  401   2HB   CYS  51          1HB       CYS  51   5.483  -2.289   0.124
  402    H    ASP  52           H        ASP  52   7.961  -1.166   3.766
  403    HA   ASP  52           HA       ASP  52   8.040  -3.799   5.053
  404   1HB   ASP  52          2HB       ASP  52   8.470  -1.024   6.078
  405   2HB   ASP  52          1HB       ASP  52   8.824  -2.497   6.986
  406    H    LEU  53           H        LEU  53   5.657  -3.116   4.284
  407    HA   LEU  53           HA       LEU  53   3.414  -3.571   4.775
  408   1HB   LEU  53          2HB       LEU  53   4.712  -4.157   7.309
  409   2HB   LEU  53          1HB       LEU  53   3.477  -3.026   7.743
  410    HG   LEU  53           HG       LEU  53   2.776  -5.414   7.933
  411   1HD1  LEU  53          3HD1      LEU  53   1.343  -4.032   5.653
  412   2HD1  LEU  53          2HD1      LEU  53   0.711  -5.378   6.589
  413   3HD1  LEU  53          1HD1      LEU  53   0.919  -3.820   7.331
  414   1HD2  LEU  53          2HD2      LEU  53   4.136  -6.386   6.051
  415   2HD2  LEU  53          1HD2      LEU  53   2.434  -6.793   5.932
  416   3HD2  LEU  53          3HD2      LEU  53   3.112  -5.570   4.882
  417    H    ALA  54           H        ALA  54   2.163  -1.890   6.955
  418    HA   ALA  54           HA       ALA  54   1.269   0.253   7.165
  419   1HB   ALA  54          2HB       ALA  54   4.063   1.088   6.214
  420   2HB   ALA  54          1HB       ALA  54   2.884   2.148   6.963
  421   3HB   ALA  54          3HB       ALA  54   3.579   0.825   7.883
  422    H    LEU  55           H        LEU  55   3.345   0.754   4.205
  423    HA   LEU  55           HA       LEU  55   1.419   2.282   2.946
  424   1HB   LEU  55          2HB       LEU  55   3.977   1.008   2.488
  425   2HB   LEU  55          1HB       LEU  55   3.006   0.989   1.082
  426    HG   LEU  55           HG       LEU  55   3.459   3.444   2.826
  427   1HD1  LEU  55          3HD1      LEU  55   4.775   2.559   0.266
  428   2HD1  LEU  55          2HD1      LEU  55   5.091   4.088   1.067
  429   3HD1  LEU  55          1HD1      LEU  55   5.581   2.585   1.827
  430   1HD2  LEU  55          1HD2      LEU  55   2.312   3.213   0.011
  431   2HD2  LEU  55          3HD2      LEU  55   1.400   3.661   1.441
  432   3HD2  LEU  55          2HD2      LEU  55   2.656   4.714   0.831
  433    H    LEU  56           H        LEU  56   2.073  -1.157   2.726
  434    HA   LEU  56           HA       LEU  56   0.031  -1.573   0.714
  435   1HB   LEU  56          2HB       LEU  56   1.002  -3.513   2.706
  436   2HB   LEU  56          1HB       LEU  56   0.172  -3.953   1.248
  437    HG   LEU  56           HG       LEU  56   2.121  -4.358   0.324
  438   1HD1  LEU  56          2HD1      LEU  56   1.834  -2.292  -0.771
  439   2HD1  LEU  56          1HD1      LEU  56   2.743  -1.417   0.453
  440   3HD1  LEU  56          3HD1      LEU  56   3.530  -2.612  -0.569
  441   1HD2  LEU  56          3HD2      LEU  56   3.142  -4.578   2.573
  442   2HD2  LEU  56          2HD2      LEU  56   4.291  -3.887   1.471
  443   3HD2  LEU  56          1HD2      LEU  56   3.456  -2.842   2.604
  444    H    GLU  57           H        GLU  57  -0.088  -1.870   4.315
  445    HA   GLU  57           HA       GLU  57  -2.660  -3.056   4.193
  446   1HB   GLU  57          2HB       GLU  57  -2.783  -2.264   6.641
  447   2HB   GLU  57          1HB       GLU  57  -1.518  -3.383   6.250
  448   1HG   GLU  57          2HG       GLU  57  -0.171  -1.924   7.360
  449   2HG   GLU  57          1HG       GLU  57  -0.206  -1.002   5.899
  450    H    THR  58           H        THR  58  -1.378   0.230   4.125
  451    HA   THR  58           HA       THR  58  -3.992   1.547   4.447
  452    HB   THR  58           HB       THR  58  -1.834   2.635   5.319
  453    HG1  THR  58           HG1      THR  58  -2.781   4.463   4.916
  454   1HG2  THR  58          1HG2      THR  58  -0.456   2.031   3.340
  455   2HG2  THR  58          3HG2      THR  58  -1.308   3.191   2.351
  456   3HG2  THR  58          2HG2      THR  58  -0.343   3.728   3.730
  457    OH   TYR  59           OH       TYR  59   0.097   4.535  -4.148
  458    H    TYR  59           H        TYR  59  -1.919   0.509   1.744
  459    HA   TYR  59           HA       TYR  59  -3.222   2.084  -0.297
  460   1HB   TYR  59          2HB       TYR  59  -1.250  -0.081  -0.236
  461   2HB   TYR  59          1HB       TYR  59  -2.458  -0.351  -1.504
  462    HD1  TYR  59           HD2      TYR  59   0.069   2.127  -0.269
  463    HD2  TYR  59           HD1      TYR  59  -2.683   1.071  -3.314
  464    HE1  TYR  59           HE2      TYR  59   0.960   3.927  -1.700
  465    HE2  TYR  59           HE1      TYR  59  -1.784   2.869  -4.758
  466    HH   TYR  59           HH       TYR  59   0.247   4.231  -5.060
  467    H    CYS  60           H        CYS  60  -3.997  -0.749   1.511
  468    HA   CYS  60           HA       CYS  60  -6.006  -2.001   0.125
  469   1HB   CYS  60          2HB       CYS  60  -4.977  -2.616   2.274
  470   2HB   CYS  60          1HB       CYS  60  -5.985  -1.429   3.042
  471    H    ALA  61           H        ALA  61  -8.353  -1.924   0.455
  472    HA   ALA  61           HA       ALA  61  -9.482   0.655   1.324
  473   1HB   ALA  61          1HB       ALA  61  -8.894   0.905  -1.081
  474   2HB   ALA  61          3HB       ALA  61  -9.863  -0.512  -1.439
  475   3HB   ALA  61          2HB       ALA  61 -10.644   0.925  -0.808
  476    H    THR  62           H        THR  62 -12.120   0.221   0.482
  477    HA   THR  62           HA       THR  62 -12.984  -2.502   0.703
  478    HB   THR  62           HB       THR  62 -12.169  -1.607   2.992
  479    HG1  THR  62           HG1      THR  62 -13.589  -3.030   3.767
  480   1HG2  THR  62          3HG2      THR  62 -12.988   0.622   2.632
  481   2HG2  THR  62          2HG2      THR  62 -14.645   0.024   2.697
  482   3HG2  THR  62          1HG2      THR  62 -13.615  -0.046   4.133
  483    HA   PRO  63           HA       PRO  63 -16.529   0.144  -0.821
  484   1HB   PRO  63          2HB       PRO  63 -18.696  -0.812   0.560
  485   2HB   PRO  63          1HB       PRO  63 -18.033  -1.624  -0.860
  486   1HG   PRO  63          2HG       PRO  63 -17.468  -2.172   2.096
  487   2HG   PRO  63          1HG       PRO  63 -17.909  -3.342   0.846
  488   1HD   PRO  63          2HD       PRO  63 -15.308  -3.004   1.515
  489   2HD   PRO  63          1HD       PRO  63 -15.706  -3.201  -0.192
  490    H    ALA  64           H        ALA  64 -15.158   1.610   0.406
  491    HA   ALA  64           HA       ALA  64 -16.674   2.942   2.627
  492   1HB   ALA  64          2HB       ALA  64 -13.618   2.681   2.356
  493   2HB   ALA  64          1HB       ALA  64 -14.411   3.629   3.601
  494   3HB   ALA  64          3HB       ALA  64 -14.631   1.919   3.582
  495    H    LYS  65           H        LYS  65 -14.843   5.235   2.687
  496    HA   LYS  65           HA       LYS  65 -16.010   6.887   0.835
  497   1HB   LYS  65          2HB       LYS  65 -15.114   7.808   2.846
  498   2HB   LYS  65          1HB       LYS  65 -13.657   6.852   2.730
  499   1HG   LYS  65          2HG       LYS  65 -13.236   9.229   2.394
  500   2HG   LYS  65          1HG       LYS  65 -12.677   8.172   1.127
  501   1HD   LYS  65          2HD       LYS  65 -13.607  10.149   0.185
  502   2HD   LYS  65          1HD       LYS  65 -14.565   8.761  -0.295
  503   1HE   LYS  65          2HE       LYS  65 -16.303   9.385   1.357
  504   2HE   LYS  65          1HE       LYS  65 -15.306  10.726   1.916
  505   1HZ   LYS  65          2HZ       LYS  65 -15.503  10.899  -0.866
  506   2HZ   LYS  65          1HZ       LYS  65 -17.081  10.666  -0.299
  507   3HZ   LYS  65          3HZ       LYS  65 -16.166  11.985   0.255
  508    H    SER  66           H        SER  66 -15.923   6.278  -1.206
  509    HA   SER  66           HA       SER  66 -13.510   5.280  -2.490
  510   1HB   SER  66          2HB       SER  66 -16.043   6.377  -3.837
  511   2HB   SER  66          1HB       SER  66 -14.944   5.134  -4.452
  512    HG   SER  66           HG       SER  66 -15.690   4.294  -2.047
  513    H    GLU  67           HN       GLU  67 -12.032   6.550  -3.532
  514    HA   GLU  67           HA       GLU  67 -12.502   9.376  -4.156
  515   1HB   GLU  67          2HB       GLU  67 -10.139   8.418  -2.438
  516   2HB   GLU  67          1HB       GLU  67 -10.420  10.062  -2.977
  517   1HG   GLU  67          2HG       GLU  67 -12.638  10.000  -1.708
  518   2HG   GLU  67          1HG       GLU  67 -12.118   8.479  -1.008
   
  Start of MODEL           3
 Raw file had  518 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   3.181 -17.843   9.677
    2   2H    ALA   1          3H        ALA   1   2.533 -18.960   8.576
    3   3H    ALA   1          2H        ALA   1   3.723 -19.453   9.689
    4    HA   ALA   1           HA       ALA   1   5.347 -18.885   8.288
    5   1HB   ALA   1          1HB       ALA   1   3.111 -17.747   6.493
    6   2HB   ALA   1          3HB       ALA   1   4.747 -18.097   5.973
    7   3HB   ALA   1          2HB       ALA   1   3.684 -19.408   6.430
    8    OH   TYR   2           OH       TYR   2   6.508  -9.756  11.987
    9    H    TYR   2           H        TYR   2   6.310 -16.754   7.132
   10    HA   TYR   2           HA       TYR   2   5.276 -14.231   8.116
   11   1HB   TYR   2          2HB       TYR   2   6.653 -15.522  10.058
   12   2HB   TYR   2          1HB       TYR   2   8.041 -14.979   9.148
   13    HD1  TYR   2           HD2      TYR   2   8.469 -12.450   8.921
   14    HD2  TYR   2           HD1      TYR   2   5.290 -14.037  11.294
   15    HE1  TYR   2           HE2      TYR   2   8.228 -10.302  10.059
   16    HE2  TYR   2           HE1      TYR   2   5.068 -11.882  12.428
   17    HH   TYR   2           HH       TYR   2   6.774  -9.882  12.904
   18    NH1  ARG   3           NH1      ARG   3   5.248  -8.018   6.276
   19    NH2  ARG   3           NH2      ARG   3   6.627  -7.490   4.561
   20    H    ARG   3           H        ARG   3   7.018 -12.532   7.407
   21    HA   ARG   3           HA       ARG   3   8.921 -13.461   5.424
   22   1HB   ARG   3          2HB       ARG   3   7.760 -12.272   3.509
   23   2HB   ARG   3          1HB       ARG   3   6.811 -13.603   4.119
   24   1HG   ARG   3          2HG       ARG   3   5.106 -12.049   4.100
   25   2HG   ARG   3          1HG       ARG   3   5.761 -11.573   5.660
   26   1HD   ARG   3          2HD       ARG   3   7.324  -9.987   4.411
   27   2HD   ARG   3          1HD       ARG   3   6.429 -10.344   2.958
   28    HE   ARG   3           HE       ARG   3   4.396  -9.361   4.081
   29   1HH1  ARG   3          2HH1      ARG   3   4.568  -8.616   6.691
   30   2HH1  ARG   3          1HH1      ARG   3   5.587  -7.203   6.772
   31   1HH2  ARG   3          1HH2      ARG   3   6.988  -7.712   3.651
   32   2HH2  ARG   3          2HH2      ARG   3   6.984  -6.685   5.042
   33    HA   PRO   4           HA       PRO   4  10.560  -9.672   7.012
   34   1HB   PRO   4          2HB       PRO   4  12.743  -9.316   5.445
   35   2HB   PRO   4          1HB       PRO   4  12.543 -10.835   6.307
   36   1HG   PRO   4          2HG       PRO   4  11.603 -10.244   3.432
   37   2HG   PRO   4          1HG       PRO   4  12.767 -11.478   3.922
   38   1HD   PRO   4          2HD       PRO   4  10.083 -12.032   3.669
   39   2HD   PRO   4          1HD       PRO   4  11.030 -12.799   4.964
   40    H    SER   5           H        SER   5  11.843  -7.860   4.959
   41    HA   SER   5           HA       SER   5   9.378  -6.523   3.982
   42   1HB   SER   5          2HB       SER   5  12.132  -5.330   4.543
   43   2HB   SER   5          1HB       SER   5  10.590  -4.454   4.361
   44    HG   SER   5           HG       SER   5   9.828  -5.573   6.195
   45    H    GLU   6           H        GLU   6   9.285  -7.186   1.884
   46    HA   GLU   6           HA       GLU   6  11.817  -7.410   0.336
   47   1HB   GLU   6          2HB       GLU   6  10.355  -8.973  -1.124
   48   2HB   GLU   6          1HB       GLU   6  10.929  -9.620   0.411
   49   1HG   GLU   6          2HG       GLU   6   8.191  -8.417  -0.099
   50   2HG   GLU   6          1HG       GLU   6   8.515 -10.141  -0.141
   51    H    THR   7           H        THR   7  11.965  -6.244  -1.485
   52    HA   THR   7           HA       THR   7   9.808  -4.317  -2.050
   53    HB   THR   7           HB       THR   7  11.586  -3.305  -3.549
   54    HG1  THR   7           HG1      THR   7  12.583  -5.153  -4.144
   55   1HG2  THR   7          3HG2      THR   7  11.612  -2.954  -0.980
   56   2HG2  THR   7          2HG2      THR   7  12.754  -4.280  -0.872
   57   3HG2  THR   7          1HG2      THR   7  13.197  -2.808  -1.737
   58    H    LEU   8           H        LEU   8   8.659  -6.279  -2.570
   59    HA   LEU   8           HA       LEU   8   9.072  -7.612  -5.131
   60   1HB   LEU   8          2HB       LEU   8   6.265  -7.710  -4.550
   61   2HB   LEU   8          1HB       LEU   8   7.474  -8.934  -4.239
   62    HG   LEU   8           HG       LEU   8   7.963  -7.983  -2.032
   63   1HD1  LEU   8          2HD1      LEU   8   7.059  -5.613  -2.332
   64   2HD1  LEU   8          1HD1      LEU   8   5.456  -6.282  -2.485
   65   3HD1  LEU   8          3HD1      LEU   8   6.352  -6.435  -0.973
   66   1HD2  LEU   8          3HD2      LEU   8   5.091  -8.850  -2.541
   67   2HD2  LEU   8          2HD2      LEU   8   6.471  -9.893  -2.270
   68   3HD2  LEU   8          1HD2      LEU   8   5.885  -8.877  -0.969
   69    H    CYS   9           H        CYS   9   7.753  -7.234  -7.124
   70    HA   CYS   9           HA       CYS   9   6.343  -4.636  -7.317
   71   1HB   CYS   9          2HB       CYS   9   8.673  -4.032  -7.641
   72   2HB   CYS   9          1HB       CYS   9   8.803  -5.165  -8.963
   73    H    GLY  10           H        GLY  10   4.939  -4.516  -8.983
   74   1HA   GLY  10          2HA       GLY  10   3.490  -5.202 -10.708
   75   2HA   GLY  10          1HA       GLY  10   4.922  -5.860 -11.440
   76    H    GLY  11           H        GLY  11   1.883  -6.681 -10.245
   77   1HA   GLY  11          2HA       GLY  11   0.778  -8.763 -10.039
   78   2HA   GLY  11          1HA       GLY  11   1.993  -9.366 -11.163
   79    H    GLU  12           H        GLU  12   3.132  -8.019  -8.400
   80    HA   GLU  12           HA       GLU  12   3.422 -10.473  -6.763
   81   1HB   GLU  12          2HB       GLU  12   5.462 -10.191  -8.277
   82   2HB   GLU  12          1HB       GLU  12   5.705  -8.586  -7.661
   83   1HG   GLU  12          2HG       GLU  12   5.803  -9.730  -5.311
   84   2HG   GLU  12          1HG       GLU  12   5.904 -11.223  -6.192
   85    H    LEU  13           H        LEU  13   4.567  -7.123  -6.971
   86    HA   LEU  13           HA       LEU  13   4.182  -6.379  -4.283
   87   1HB   LEU  13          2HB       LEU  13   5.352  -4.954  -5.598
   88   2HB   LEU  13          1HB       LEU  13   4.221  -4.926  -6.924
   89    HG   LEU  13           HG       LEU  13   3.506  -3.585  -4.261
   90   1HD1  LEU  13          2HD1      LEU  13   5.786  -2.822  -5.196
   91   2HD1  LEU  13          1HD1      LEU  13   4.977  -2.417  -6.696
   92   3HD1  LEU  13          3HD1      LEU  13   4.564  -1.555  -5.208
   93   1HD2  LEU  13          2HD2      LEU  13   2.854  -3.011  -7.185
   94   2HD2  LEU  13          1HD2      LEU  13   1.754  -3.785  -6.056
   95   3HD2  LEU  13          3HD2      LEU  13   2.247  -2.124  -5.808
   96    H    VAL  14           H        VAL  14   1.995  -6.200  -6.975
   97    HA   VAL  14           HA       VAL  14  -0.287  -5.078  -5.698
   98    HB   VAL  14           HB       VAL  14  -0.313  -7.245  -7.887
   99   1HG1  VAL  14          1HG1      VAL  14  -2.545  -6.644  -6.987
  100   2HG1  VAL  14          3HG1      VAL  14  -2.237  -4.948  -7.349
  101   3HG1  VAL  14          2HG1      VAL  14  -2.378  -6.116  -8.651
  102   1HG2  VAL  14          3HG2      VAL  14   0.012  -4.211  -8.227
  103   2HG2  VAL  14          2HG2      VAL  14   1.268  -5.383  -8.553
  104   3HG2  VAL  14          1HG2      VAL  14  -0.179  -5.364  -9.540
  105    H    ASP  15           H        ASP  15   1.005  -8.301  -5.849
  106    HA   ASP  15           HA       ASP  15  -1.176  -9.615  -4.471
  107   1HB   ASP  15          2HB       ASP  15   0.909 -10.698  -5.920
  108   2HB   ASP  15          1HB       ASP  15   1.644 -10.687  -4.334
  109    H    THR  16           H        THR  16   1.768  -7.948  -3.514
  110    HA   THR  16           HA       THR  16   1.974  -8.859  -0.859
  111    HB   THR  16           HB       THR  16   3.448  -6.993  -2.149
  112    HG1  THR  16           HG1      THR  16   4.309  -6.910  -0.229
  113   1HG2  THR  16          1HG2      THR  16   1.748  -5.274  -0.263
  114   2HG2  THR  16          3HG2      THR  16   3.165  -4.767  -1.179
  115   3HG2  THR  16          2HG2      THR  16   1.670  -5.053  -1.998
  116    H    LEU  17           H        LEU  17   0.050  -6.156  -2.067
  117    HA   LEU  17           HA       LEU  17  -1.372  -5.607   0.320
  118   1HB   LEU  17          2HB       LEU  17  -2.405  -5.487  -2.472
  119   2HB   LEU  17          1HB       LEU  17  -3.039  -4.579  -1.107
  120    HG   LEU  17           HG       LEU  17  -0.138  -4.225  -2.007
  121   1HD1  LEU  17          1HD1      LEU  17  -1.728  -3.609  -3.823
  122   2HD1  LEU  17          3HD1      LEU  17  -2.499  -2.493  -2.688
  123   3HD1  LEU  17          2HD1      LEU  17  -0.819  -2.270  -3.157
  124   1HD2  LEU  17          3HD2      LEU  17  -0.885  -3.475   0.277
  125   2HD2  LEU  17          2HD2      LEU  17  -0.438  -2.157  -0.816
  126   3HD2  LEU  17          1HD2      LEU  17  -2.131  -2.516  -0.502
  127    H    GLN  18           H        GLN  18  -1.867  -8.035  -2.172
  128    HA   GLN  18           HA       GLN  18  -4.493  -8.710  -1.333
  129   1HB   GLN  18          2HB       GLN  18  -3.323  -9.742  -3.424
  130   2HB   GLN  18          1HB       GLN  18  -2.259 -10.634  -2.365
  131   1HG   GLN  18          2HG       GLN  18  -4.943 -11.273  -1.583
  132   2HG   GLN  18          1HG       GLN  18  -4.844 -11.452  -3.318
  133   1HE2  GLN  18          2HE2      GLN  18  -1.971 -13.865  -2.631
  134   2HE2  GLN  18          1HE2      GLN  18  -1.957 -12.353  -3.349
  135    H    PHE  19           H        PHE  19  -1.370  -9.454   0.082
  136    HA   PHE  19           HA       PHE  19  -2.720 -11.230   2.062
  137   1HB   PHE  19          2HB       PHE  19  -0.588 -11.944   2.762
  138   2HB   PHE  19          1HB       PHE  19  -0.200 -11.493   1.117
  139    HD1  PHE  19           HD1      PHE  19  -0.237 -10.107   4.601
  140    HD2  PHE  19           HD2      PHE  19   1.578  -9.940   0.762
  141    HE1  PHE  19           HE1      PHE  19   1.396  -8.533   5.468
  142    HE2  PHE  19           HE2      PHE  19   3.232  -8.347   1.636
  143    HZ   PHE  19           HZ       PHE  19   3.202  -7.669   3.934
  144    H    VAL  20           H        VAL  20  -1.339  -7.898   1.864
  145    HA   VAL  20           HA       VAL  20  -1.686  -7.477   4.639
  146    HB   VAL  20           HB       VAL  20  -1.432  -5.429   2.351
  147   1HG1  VAL  20          3HG1      VAL  20  -2.088  -4.744   4.534
  148   2HG1  VAL  20          2HG1      VAL  20  -0.666  -5.505   5.210
  149   3HG1  VAL  20          1HG1      VAL  20  -0.473  -4.124   4.117
  150   1HG2  VAL  20          1HG2      VAL  20   0.502  -7.110   2.286
  151   2HG2  VAL  20          3HG2      VAL  20   0.984  -5.476   2.658
  152   3HG2  VAL  20          2HG2      VAL  20   0.813  -6.633   3.937
  153    H    CYS  21           H        CYS  21  -3.191  -6.028   1.822
  154    HA   CYS  21           HA       CYS  21  -5.342  -4.817   3.133
  155   1HB   CYS  21          2HB       CYS  21  -4.706  -4.172   0.989
  156   2HB   CYS  21          1HB       CYS  21  -4.989  -5.706   0.348
  157    H    GLY  22           H        GLY  22  -5.391  -7.728   1.212
  158   1HA   GLY  22          2HA       GLY  22  -6.578  -9.754   1.764
  159   2HA   GLY  22          1HA       GLY  22  -7.555  -8.844   2.911
  160    H    ASP  23           H        ASP  23  -9.187 -10.064   1.935
  161    HA   ASP  23           HA       ASP  23 -10.165  -9.963  -0.688
  162   1HB   ASP  23          2HB       ASP  23 -10.839 -11.652   1.057
  163   2HB   ASP  23          1HB       ASP  23 -11.745 -10.393   1.886
  164    NH1  ARG  24           NH2      ARG  24 -13.266  -3.306   1.792
  165    NH2  ARG  24           NH1      ARG  24 -13.402  -4.618   3.676
  166    H    ARG  24           H        ARG  24  -9.852  -7.658  -1.166
  167    HA   ARG  24           HA       ARG  24 -12.349  -6.328  -1.398
  168   1HB   ARG  24          2HB       ARG  24 -11.693  -4.293   0.024
  169   2HB   ARG  24          1HB       ARG  24 -12.313  -5.696   0.869
  170   1HG   ARG  24          2HG       ARG  24  -9.628  -6.199   1.041
  171   2HG   ARG  24          1HG       ARG  24  -9.585  -4.463   0.876
  172   1HD   ARG  24          2HD       ARG  24 -11.180  -6.038   2.966
  173   2HD   ARG  24          1HD       ARG  24  -9.712  -5.115   3.267
  174    HE   ARG  24           HE       ARG  24 -10.965  -3.077   3.120
  175   1HH1  ARG  24          1HH2      ARG  24 -12.667  -2.809   1.150
  176   2HH1  ARG  24          2HH2      ARG  24 -14.250  -3.287   1.633
  177   1HH2  ARG  24          2HH1      ARG  24 -12.887  -5.065   4.407
  178   2HH2  ARG  24          1HH1      ARG  24 -14.398  -4.704   3.658
  179    H    GLY  25           H        GLY  25  -8.919  -6.446  -1.616
  180   1HA   GLY  25          2HA       GLY  25  -7.757  -5.732  -3.624
  181   2HA   GLY  25          1HA       GLY  25  -9.185  -4.791  -4.037
  182    H    PHE  26           H        PHE  26  -7.125  -3.126  -4.390
  183    HA   PHE  26           HA       PHE  26  -6.977  -1.469  -1.926
  184   1HB   PHE  26          2HB       PHE  26  -4.294  -1.498  -2.761
  185   2HB   PHE  26          1HB       PHE  26  -4.917  -2.272  -1.314
  186    HD1  PHE  26           HD1      PHE  26  -5.532  -4.558  -1.283
  187    HD2  PHE  26           HD2      PHE  26  -3.993  -2.834  -4.825
  188    HE1  PHE  26           HE1      PHE  26  -5.292  -6.742  -2.164
  189    HE2  PHE  26           HE2      PHE  26  -3.729  -5.010  -5.781
  190    HZ   PHE  26           HZ       PHE  26  -4.361  -7.072  -4.480
  191    OH   TYR  27           OH       TYR  27  -8.058   3.663   1.616
  192    H    TYR  27           H        TYR  27  -5.908   0.574  -2.434
  193    HA   TYR  27           HA       TYR  27  -6.242   1.083  -5.313
  194   1HB   TYR  27          2HB       TYR  27  -6.999   3.512  -4.457
  195   2HB   TYR  27          1HB       TYR  27  -8.052   2.129  -4.389
  196    HD1  TYR  27           HD1      TYR  27  -5.399   2.387  -1.741
  197    HD2  TYR  27           HD2      TYR  27  -9.473   3.366  -2.668
  198    HE1  TYR  27           HE1      TYR  27  -5.855   2.866   0.567
  199    HE2  TYR  27           HE2      TYR  27  -9.861   3.839  -0.317
  200    HH   TYR  27           HH       TYR  27  -8.415   4.562   1.671
  201    H    PHE  28           H        PHE  28  -4.474   1.167  -6.093
  202    HA   PHE  28           HA       PHE  28  -2.040   2.255  -5.004
  203   1HB   PHE  28          2HB       PHE  28  -1.128   1.835  -7.338
  204   2HB   PHE  28          1HB       PHE  28  -1.901   0.428  -6.641
  205    HD1  PHE  28           HD1      PHE  28  -2.264   3.179  -9.046
  206    HD2  PHE  28           HD2      PHE  28  -4.007  -0.422  -7.598
  207    HE1  PHE  28           HE1      PHE  28  -3.792   3.135 -10.996
  208    HE2  PHE  28           HE2      PHE  28  -5.521  -0.464  -9.518
  209    HZ   PHE  28           HZ       PHE  28  -5.424   1.304 -11.221
  210    H    SER  29           H        SER  29  -4.210   4.204  -5.245
  211    HA   SER  29           HA       SER  29  -2.676   6.487  -6.288
  212   1HB   SER  29          2HB       SER  29  -5.499   5.861  -7.367
  213   2HB   SER  29          1HB       SER  29  -4.571   7.322  -7.699
  214    HG   SER  29           HG       SER  29  -4.303   4.775  -8.696
  215    NH1  ARG  30           NH2      ARG  30  -4.704   8.608   1.346
  216    NH2  ARG  30           NH1      ARG  30  -5.163   7.377   3.226
  217    H    ARG  30           H        ARG  30  -3.424   5.438  -3.798
  218    HA   ARG  30           HA       ARG  30  -5.686   6.944  -2.766
  219   1HB   ARG  30          2HB       ARG  30  -5.370   4.797  -1.891
  220   2HB   ARG  30          1HB       ARG  30  -3.662   4.984  -1.599
  221   1HG   ARG  30          2HG       ARG  30  -4.879   5.009   0.507
  222   2HG   ARG  30          1HG       ARG  30  -4.094   6.538   0.220
  223   1HD   ARG  30          2HD       ARG  30  -6.409   7.384  -0.702
  224   2HD   ARG  30          1HD       ARG  30  -7.074   5.867  -0.132
  225    HE   ARG  30           HE       ARG  30  -7.302   7.133   1.873
  226   1HH1  ARG  30          1HH2      ARG  30  -4.945   8.803   0.387
  227   2HH1  ARG  30          2HH2      ARG  30  -3.938   9.081   1.770
  228   1HH2  ARG  30          2HH1      ARG  30  -5.794   6.721   3.656
  229   2HH2  ARG  30          1HH1      ARG  30  -4.385   7.716   3.757
  230    HA   PRO  31           HA       PRO  31  -2.565  10.170  -1.578
  231   1HB   PRO  31          2HB       PRO  31   0.019  10.089  -2.379
  232   2HB   PRO  31          1HB       PRO  31  -0.481   9.180  -0.964
  233   1HG   PRO  31          2HG       PRO  31  -0.274   8.157  -3.847
  234   2HG   PRO  31          1HG       PRO  31   0.522   7.489  -2.426
  235   1HD   PRO  31          2HD       PRO  31  -1.867   6.521  -3.336
  236   2HD   PRO  31          1HD       PRO  31  -1.500   6.531  -1.595
  237    H    ALA  32           H        ALA  32  -0.587  10.827  -3.811
  238    HA   ALA  32           HA       ALA  32  -0.652  12.159  -5.640
  239   1HB   ALA  32          1HB       ALA  32  -2.122   9.666  -6.410
  240   2HB   ALA  32          3HB       ALA  32  -1.360  10.768  -7.580
  241   3HB   ALA  32          2HB       ALA  32  -0.385   9.957  -6.372
  242    H    SER  33           H        SER  33  -2.657  12.127  -7.786
  243    HA   SER  33           HA       SER  33  -5.163  13.110  -6.692
  244   1HB   SER  33          2HB       SER  33  -3.801  15.150  -8.444
  245   2HB   SER  33          1HB       SER  33  -4.895  15.407  -7.089
  246    HG   SER  33           HG       SER  33  -3.087  14.493  -5.784
  247    NH1  ARG  34           NH1      ARG  34 -11.649  11.912  -7.290
  248    NH2  ARG  34           NH2      ARG  34 -12.689  12.276  -9.306
  249    H    ARG  34           H        ARG  34  -6.140  14.290  -8.956
  250    HA   ARG  34           HA       ARG  34  -5.881  12.070 -10.952
  251   1HB   ARG  34          2HB       ARG  34  -7.919  14.322 -10.761
  252   2HB   ARG  34          1HB       ARG  34  -7.948  13.017 -11.927
  253   1HG   ARG  34          2HG       ARG  34  -8.062  11.352 -10.064
  254   2HG   ARG  34          1HG       ARG  34  -8.125  12.670  -8.899
  255   1HD   ARG  34          2HD       ARG  34 -10.215  13.530  -9.902
  256   2HD   ARG  34          1HD       ARG  34 -10.136  12.288 -11.154
  257    HE   ARG  34           HE       ARG  34 -10.251  10.633  -9.122
  258   1HH1  ARG  34          2HH1      ARG  34 -10.821  11.639  -6.794
  259   2HH1  ARG  34          1HH1      ARG  34 -12.446  12.173  -6.747
  260   1HH2  ARG  34          1HH2      ARG  34 -12.618  12.254 -10.303
  261   2HH2  ARG  34          2HH2      ARG  34 -13.545  12.570  -8.884
  262    H    VAL  35           H        VAL  35  -4.008  14.301 -10.483
  263    HA   VAL  35           HA       VAL  35  -3.993  15.710 -13.014
  264    HB   VAL  35           HB       VAL  35  -2.689  15.922 -10.258
  265   1HG1  VAL  35          2HG1      VAL  35  -2.400  17.720 -12.614
  266   2HG1  VAL  35          1HG1      VAL  35  -1.856  18.111 -10.980
  267   3HG1  VAL  35          3HG1      VAL  35  -1.128  16.754 -11.865
  268   1HG2  VAL  35          2HG2      VAL  35  -5.105  16.625 -10.379
  269   2HG2  VAL  35          1HG2      VAL  35  -4.071  17.999 -10.048
  270   3HG2  VAL  35          3HG2      VAL  35  -4.707  17.751 -11.660
  271    H    SER  36           H        SER  36  -3.280  12.862 -12.213
  272    HA   SER  36           HA       SER  36  -1.602  11.244 -12.659
  273   1HB   SER  36          2HB       SER  36  -1.496  13.044 -15.056
  274   2HB   SER  36          1HB       SER  36  -0.819  11.401 -14.895
  275    HG   SER  36           HG       SER  36  -3.434  12.102 -15.249
  276    NH1  ARG  37           NH2      ARG  37  -0.361  17.361  -9.161
  277    NH2  ARG  37           NH1      ARG  37   0.742  17.677  -7.183
  278    H    ARG  37           H        ARG  37  -0.746  12.935 -11.090
  279    HA   ARG  37           HA       ARG  37   1.994  13.883 -11.742
  280   1HB   ARG  37          2HB       ARG  37   1.982  14.843  -9.414
  281   2HB   ARG  37          1HB       ARG  37   0.541  15.327 -10.284
  282   1HG   ARG  37          2HG       ARG  37  -0.860  13.772  -9.063
  283   2HG   ARG  37          1HG       ARG  37   0.504  12.827  -8.519
  284   1HD   ARG  37          2HD       ARG  37  -0.203  14.037  -6.604
  285   2HD   ARG  37          1HD       ARG  37   1.237  14.868  -7.138
  286    HE   ARG  37           HE       ARG  37  -1.535  15.875  -7.190
  287   1HH1  ARG  37          1HH2      ARG  37  -0.987  16.797  -9.697
  288   2HH1  ARG  37          2HH2      ARG  37   0.012  18.189  -9.573
  289   1HH2  ARG  37          2HH1      ARG  37   0.929  17.330  -6.263
  290   2HH2  ARG  37          1HH1      ARG  37   1.177  18.531  -7.473
  291    NH1  ARG  38           NH1      ARG  38   6.801  12.946 -13.780
  292    NH2  ARG  38           NH2      ARG  38   8.399  14.334 -12.882
  293    H    ARG  38           H        ARG  38   3.754  13.169 -10.017
  294    HA   ARG  38           HA       ARG  38   3.781  10.283 -10.035
  295   1HB   ARG  38          2HB       ARG  38   5.610  12.354  -8.690
  296   2HB   ARG  38          1HB       ARG  38   6.003  10.654  -8.896
  297   1HG   ARG  38          2HG       ARG  38   6.030  10.780 -11.285
  298   2HG   ARG  38          1HG       ARG  38   5.325  12.391 -11.300
  299   1HD   ARG  38          2HD       ARG  38   7.302  13.372 -10.343
  300   2HD   ARG  38          1HD       ARG  38   7.995  11.796  -9.971
  301    HE   ARG  38           HE       ARG  38   8.686  11.605 -12.257
  302   1HH1  ARG  38          2HH1      ARG  38   6.355  12.052 -13.734
  303   2HH1  ARG  38          1HH1      ARG  38   6.505  13.587 -14.488
  304   1HH2  ARG  38          1HH2      ARG  38   9.108  14.455 -12.184
  305   2HH2  ARG  38          2HH2      ARG  38   8.224  15.076 -13.526
  306    H    SER  39           H        SER  39   4.943   9.809  -7.576
  307    HA   SER  39           HA       SER  39   4.419   8.906  -5.545
  308   1HB   SER  39          2HB       SER  39   3.539  10.702  -3.882
  309   2HB   SER  39          1HB       SER  39   4.961  11.195  -4.796
  310    HG   SER  39           HG       SER  39   2.517  11.717  -5.969
  311    NH1  ARG  40           NH1      ARG  40  -2.913   6.347 -10.824
  312    NH2  ARG  40           NH2      ARG  40  -1.924   5.524 -12.736
  313    H    ARG  40           H        ARG  40   2.946   7.767  -7.186
  314    HA   ARG  40           HA       ARG  40   0.123   7.990  -6.792
  315   1HB   ARG  40          2HB       ARG  40   1.761   7.258  -8.816
  316   2HB   ARG  40          1HB       ARG  40   1.726   5.700  -8.020
  317   1HG   ARG  40          2HG       ARG  40  -0.719   5.751  -8.185
  318   2HG   ARG  40          1HG       ARG  40  -0.582   7.327  -8.956
  319   1HD   ARG  40          2HD       ARG  40   0.441   6.437 -10.935
  320   2HD   ARG  40          1HD       ARG  40   0.903   4.942 -10.143
  321    HE   ARG  40           HE       ARG  40  -1.275   4.059 -10.532
  322   1HH1  ARG  40          2HH1      ARG  40  -2.900   6.352  -9.810
  323   2HH1  ARG  40          1HH1      ARG  40  -3.612   6.875 -11.302
  324   1HH2  ARG  40          1HH2      ARG  40  -1.184   4.959 -13.108
  325   2HH2  ARG  40          2HH2      ARG  40  -2.562   5.977 -13.358
  326    H    GLY  41           H        GLY  41  -0.230   5.039  -6.458
  327   1HA   GLY  41          2HA       GLY  41   0.383   4.984  -3.554
  328   2HA   GLY  41          1HA       GLY  41  -0.757   3.922  -4.370
  329    H    ILE  42           H        ILE  42   0.609   2.535  -2.852
  330    HA   ILE  42           HA       ILE  42   2.715   1.376  -2.474
  331    HB   ILE  42           HB       ILE  42   2.269  -0.789  -4.178
  332   1HG1  ILE  42          2HG1      ILE  42   0.289   0.572  -5.147
  333   2HG1  ILE  42          1HG1      ILE  42   0.063  -1.115  -4.721
  334   1HG2  ILE  42          2HG2      ILE  42   1.025  -0.230  -1.550
  335   2HG2  ILE  42          1HG2      ILE  42   1.162  -1.806  -2.366
  336   3HG2  ILE  42          3HG2      ILE  42   2.604  -0.901  -1.919
  337   1HD1  ILE  42          3HD1      ILE  42  -0.472   1.243  -2.928
  338   2HD1  ILE  42          2HD1      ILE  42  -1.709   0.323  -3.781
  339   3HD1  ILE  42          1HD1      ILE  42  -0.745  -0.402  -2.500
  340    H    VAL  43           H        VAL  43   2.114   0.557  -5.742
  341    HA   VAL  43           HA       VAL  43   4.519  -0.210  -6.746
  342    HB   VAL  43           HB       VAL  43   4.289   1.239  -8.820
  343   1HG1  VAL  43          2HG1      VAL  43   1.857  -0.201  -7.679
  344   2HG1  VAL  43          1HG1      VAL  43   2.135   0.105  -9.392
  345   3HG1  VAL  43          3HG1      VAL  43   3.218  -0.945  -8.496
  346   1HG2  VAL  43          3HG2      VAL  43   3.186   3.274  -7.791
  347   2HG2  VAL  43          2HG2      VAL  43   2.229   2.563  -9.057
  348   3HG2  VAL  43          1HG2      VAL  43   1.808   2.274  -7.385
  349    H    GLU  44           H        GLU  44   4.364   3.440  -6.559
  350    HA   GLU  44           HA       GLU  44   7.202   3.664  -6.901
  351   1HB   GLU  44          2HB       GLU  44   5.004   5.448  -5.871
  352   2HB   GLU  44          1HB       GLU  44   6.663   5.976  -5.612
  353   1HG   GLU  44          2HG       GLU  44   7.124   5.909  -7.959
  354   2HG   GLU  44          1HG       GLU  44   5.706   4.953  -8.312
  355    H    GLU  45           H        GLU  45   5.227   3.200  -4.077
  356    HA   GLU  45           HA       GLU  45   7.451   3.356  -2.207
  357   1HB   GLU  45          2HB       GLU  45   4.666   2.329  -1.817
  358   2HB   GLU  45          1HB       GLU  45   5.814   2.781  -0.578
  359   1HG   GLU  45          2HG       GLU  45   5.758   5.053  -1.142
  360   2HG   GLU  45          1HG       GLU  45   5.076   4.825  -2.731
  361    H    CYS  46           H        CYS  46   5.274   0.455  -3.137
  362    HA   CYS  46           HA       CYS  46   7.405  -1.147  -1.810
  363   1HB   CYS  46          2HB       CYS  46   4.656  -1.454  -2.054
  364   2HB   CYS  46          1HB       CYS  46   5.227  -2.550  -3.267
  365    H    CYS  47           H        CYS  47   6.783  -0.091  -4.988
  366    HA   CYS  47           HA       CYS  47   8.417  -2.332  -6.061
  367   1HB   CYS  47          2HB       CYS  47   6.575  -1.428  -7.579
  368   2HB   CYS  47          1HB       CYS  47   7.445   0.075  -7.673
  369    H    PHE  48           H        PHE  48   8.562   1.469  -6.072
  370    HA   PHE  48           HA       PHE  48  11.349   1.262  -6.544
  371   1HB   PHE  48          2HB       PHE  48   9.260   3.423  -6.281
  372   2HB   PHE  48          1HB       PHE  48  10.899   3.723  -6.379
  373    HD1  PHE  48           HD1      PHE  48   8.092   1.968  -8.005
  374    HD2  PHE  48           HD2      PHE  48  11.832   3.891  -8.649
  375    HE1  PHE  48           HE1      PHE  48   7.712   1.863 -10.400
  376    HE2  PHE  48           HE2      PHE  48  11.460   3.790 -11.066
  377    HZ   PHE  48           HZ       PHE  48   9.404   2.768 -11.966
  378    NH1  ARG  49           NH2      ARG  49   9.785   5.440   1.976
  379    NH2  ARG  49           NH1      ARG  49   8.505   7.315   1.652
  380    H    ARG  49           H        ARG  49   9.339   2.349  -3.549
  381    HA   ARG  49           HA       ARG  49  11.987   2.776  -2.278
  382   1HB   ARG  49          2HB       ARG  49   9.178   2.931  -1.041
  383   2HB   ARG  49          1HB       ARG  49  10.670   3.471  -0.285
  384   1HG   ARG  49          2HG       ARG  49  10.873   4.849  -2.644
  385   2HG   ARG  49          1HG       ARG  49   9.137   4.762  -2.539
  386   1HD   ARG  49          2HD       ARG  49  11.007   5.938  -0.405
  387   2HD   ARG  49          1HD       ARG  49  10.014   6.856  -1.529
  388    HE   ARG  49           HE       ARG  49   8.026   5.580  -0.356
  389   1HH1  ARG  49          1HH2      ARG  49  10.177   4.617   1.565
  390   2HH1  ARG  49          2HH2      ARG  49   9.962   5.629   2.942
  391   1HH2  ARG  49          2HH1      ARG  49   7.968   7.869   1.014
  392   2HH2  ARG  49          1HH1      ARG  49   8.587   7.632   2.595
  393    H    SER  50           H        SER  50  11.225   1.699   0.396
  394    HA   SER  50           HA       SER  50  11.997  -1.062  -0.068
  395   1HB   SER  50          2HB       SER  50  11.916  -0.948   2.566
  396   2HB   SER  50          1HB       SER  50  13.167  -0.012   1.721
  397    HG   SER  50           HG       SER  50  11.599   1.090   3.308
  398    H    CYS  51           H        CYS  51   9.517   0.434   1.839
  399    HA   CYS  51           HA       CYS  51   7.261  -0.075   2.294
  400   1HB   CYS  51          2HB       CYS  51   6.897  -0.346   0.065
  401   2HB   CYS  51          1HB       CYS  51   7.775  -1.850  -0.012
  402    H    ASP  52           H        ASP  52   5.763  -1.484   3.145
  403    HA   ASP  52           HA       ASP  52   5.818  -4.119   3.884
  404   1HB   ASP  52          2HB       ASP  52   7.925  -3.022   5.389
  405   2HB   ASP  52          1HB       ASP  52   6.571  -2.767   6.470
  406    H    LEU  53           H        LEU  53   4.534  -4.036   6.332
  407    HA   LEU  53           HA       LEU  53   2.097  -2.674   5.643
  408   1HB   LEU  53          2HB       LEU  53   2.950  -4.229   8.098
  409   2HB   LEU  53          1HB       LEU  53   1.397  -3.431   8.013
  410    HG   LEU  53           HG       LEU  53   1.125  -4.521   5.721
  411   1HD1  LEU  53          3HD1      LEU  53   3.339  -6.315   6.733
  412   2HD1  LEU  53          2HD1      LEU  53   2.258  -6.669   5.404
  413   3HD1  LEU  53          1HD1      LEU  53   3.363  -5.337   5.273
  414   1HD2  LEU  53          3HD2      LEU  53   1.087  -6.338   8.178
  415   2HD2  LEU  53          2HD2      LEU  53  -0.224  -5.301   7.637
  416   3HD2  LEU  53          1HD2      LEU  53   0.250  -6.684   6.679
  417    H    ALA  54           H        ALA  54   2.461  -0.706   5.473
  418    HA   ALA  54           HA       ALA  54   2.075   1.056   7.802
  419   1HB   ALA  54          1HB       ALA  54   4.483   1.494   5.906
  420   2HB   ALA  54          3HB       ALA  54   3.977   2.584   7.192
  421   3HB   ALA  54          2HB       ALA  54   4.612   0.990   7.580
  422    H    LEU  55           H        LEU  55   2.964   0.764   4.439
  423    HA   LEU  55           HA       LEU  55   1.115   2.741   3.470
  424   1HB   LEU  55          2HB       LEU  55   3.511   1.067   2.672
  425   2HB   LEU  55          1HB       LEU  55   2.646   1.773   1.426
  426    HG   LEU  55           HG       LEU  55   3.997   3.137   3.834
  427   1HD1  LEU  55          3HD1      LEU  55   5.527   2.378   1.994
  428   2HD1  LEU  55          2HD1      LEU  55   4.554   3.330   0.872
  429   3HD1  LEU  55          1HD1      LEU  55   5.475   4.126   2.128
  430   1HD2  LEU  55          3HD2      LEU  55   2.558   4.528   1.520
  431   2HD2  LEU  55          2HD2      LEU  55   1.977   4.508   3.176
  432   3HD2  LEU  55          1HD2      LEU  55   3.470   5.319   2.784
  433    H    LEU  56           H        LEU  56   2.020  -0.414   2.272
  434    HA   LEU  56           HA       LEU  56  -0.093  -1.343   0.922
  435   1HB   LEU  56          2HB       LEU  56   1.539  -2.721   3.014
  436   2HB   LEU  56          1HB       LEU  56   0.427  -3.606   2.006
  437    HG   LEU  56           HG       LEU  56   1.654  -3.198   0.007
  438   1HD1  LEU  56          1HD1      LEU  56   2.201  -0.756   0.411
  439   2HD1  LEU  56          3HD1      LEU  56   3.458  -1.269   1.537
  440   3HD1  LEU  56          2HD1      LEU  56   3.535  -1.680  -0.170
  441   1HD2  LEU  56          3HD2      LEU  56   2.680  -4.851   1.650
  442   2HD2  LEU  56          2HD2      LEU  56   3.931  -4.067   0.717
  443   3HD2  LEU  56          1HD2      LEU  56   3.608  -3.543   2.354
  444    H    GLU  57           H        GLU  57   0.025  -1.510   4.405
  445    HA   GLU  57           HA       GLU  57  -2.346  -2.900   4.692
  446   1HB   GLU  57          2HB       GLU  57  -2.399  -1.768   7.020
  447   2HB   GLU  57          1HB       GLU  57  -0.935  -2.623   6.641
  448   1HG   GLU  57          2HG       GLU  57   0.154  -0.710   7.301
  449   2HG   GLU  57          1HG       GLU  57  -0.367   0.032   5.803
  450    H    THR  58           H        THR  58  -1.850   0.654   4.916
  451    HA   THR  58           HA       THR  58  -4.631   1.292   4.768
  452    HB   THR  58           HB       THR  58  -3.198   3.074   5.688
  453    HG1  THR  58           HG1      THR  58  -4.603   3.492   3.383
  454   1HG2  THR  58          2HG2      THR  58  -1.657   3.115   3.056
  455   2HG2  THR  58          1HG2      THR  58  -1.444   4.226   4.405
  456   3HG2  THR  58          3HG2      THR  58  -1.064   2.536   4.601
  457    OH   TYR  59           OH       TYR  59   0.532   5.110  -1.337
  458    H    TYR  59           H        TYR  59  -2.362   0.378   2.223
  459    HA   TYR  59           HA       TYR  59  -3.839   1.845   0.189
  460   1HB   TYR  59          2HB       TYR  59  -1.839  -0.415   0.120
  461   2HB   TYR  59          1HB       TYR  59  -2.777  -0.060  -1.335
  462    HD1  TYR  59           HD1      TYR  59  -3.011   2.434  -1.974
  463    HD2  TYR  59           HD2      TYR  59   0.025   1.027   0.621
  464    HE1  TYR  59           HE1      TYR  59  -1.738   4.481  -2.360
  465    HE2  TYR  59           HE2      TYR  59   1.292   3.089   0.256
  466    HH   TYR  59           HH       TYR  59   1.465   4.981  -1.071
  467    H    CYS  60           H        CYS  60  -4.613  -0.928   1.984
  468    HA   CYS  60           HA       CYS  60  -6.189  -2.432   0.296
  469   1HB   CYS  60          2HB       CYS  60  -5.630  -2.705   2.753
  470   2HB   CYS  60          1HB       CYS  60  -6.930  -1.620   3.118
  471    H    ALA  61           H        ALA  61  -8.313  -2.409  -0.352
  472    HA   ALA  61           HA       ALA  61  -9.481   0.253  -0.827
  473   1HB   ALA  61          2HB       ALA  61 -10.415  -2.529  -1.689
  474   2HB   ALA  61          1HB       ALA  61 -11.095  -1.022  -2.258
  475   3HB   ALA  61          3HB       ALA  61  -9.446  -1.451  -2.676
  476    H    THR  62           H        THR  62  -9.612   0.309   1.599
  477    HA   THR  62           HA       THR  62 -12.165  -0.869   2.541
  478    HB   THR  62           HB       THR  62 -10.363  -1.639   3.857
  479    HG1  THR  62           HG1      THR  62 -11.901   0.390   5.007
  480   1HG2  THR  62          1HG2      THR  62  -9.198   1.092   3.802
  481   2HG2  THR  62          3HG2      THR  62  -8.617  -0.230   4.826
  482   3HG2  THR  62          2HG2      THR  62  -8.576  -0.359   3.085
  483    HA   PRO  63           HA       PRO  63 -13.537   3.390   3.390
  484   1HB   PRO  63          2HB       PRO  63 -15.522   2.881   5.144
  485   2HB   PRO  63          1HB       PRO  63 -15.738   2.527   3.424
  486   1HG   PRO  63          2HG       PRO  63 -14.842   0.620   5.659
  487   2HG   PRO  63          1HG       PRO  63 -16.153   0.360   4.505
  488   1HD   PRO  63          2HD       PRO  63 -13.676  -0.688   4.048
  489   2HD   PRO  63          1HD       PRO  63 -14.609  -0.033   2.678
  490    H    ALA  64           H        ALA  64 -11.325   2.990   4.198
  491    HA   ALA  64           HA       ALA  64 -11.064   3.135   7.179
  492   1HB   ALA  64          2HB       ALA  64  -9.791   1.348   5.941
  493   2HB   ALA  64          1HB       ALA  64  -8.999   2.598   4.998
  494   3HB   ALA  64          3HB       ALA  64  -8.678   2.436   6.714
  495    H    LYS  65           H        LYS  65  -8.339   4.276   6.546
  496    HA   LYS  65           HA       LYS  65  -8.827   6.968   7.005
  497   1HB   LYS  65          2HB       LYS  65  -6.147   6.282   5.933
  498   2HB   LYS  65          1HB       LYS  65  -6.693   6.786   7.517
  499   1HG   LYS  65          2HG       LYS  65  -7.059   4.518   8.306
  500   2HG   LYS  65          1HG       LYS  65  -6.596   3.882   6.724
  501   1HD   LYS  65          2HD       LYS  65  -4.365   4.806   6.856
  502   2HD   LYS  65          1HD       LYS  65  -4.678   5.578   8.383
  503   1HE   LYS  65          2HE       LYS  65  -4.616   2.540   7.882
  504   2HE   LYS  65          1HE       LYS  65  -3.332   3.455   8.630
  505   1HZ   LYS  65          1HZ       LYS  65  -5.741   4.023   9.995
  506   2HZ   LYS  65          3HZ       LYS  65  -5.573   2.333   9.864
  507   3HZ   LYS  65          2HZ       LYS  65  -4.361   3.246  10.600
  508    H    SER  66           H        SER  66 -10.388   7.314   5.170
  509    HA   SER  66           HA       SER  66  -8.958   8.406   2.830
  510   1HB   SER  66          2HB       SER  66 -11.348   6.493   2.492
  511   2HB   SER  66          1HB       SER  66 -10.377   7.192   1.196
  512    HG   SER  66           HG       SER  66  -9.741   5.243   3.075
  513    H    GLU  67           HN       GLU  67 -10.930   9.290   1.336
  514    HA   GLU  67           HA       GLU  67 -13.132  10.536   2.765
  515   1HB   GLU  67          2HB       GLU  67 -11.139  12.057   3.208
  516   2HB   GLU  67          1HB       GLU  67 -10.841  12.126   1.479
  517   1HG   GLU  67          2HG       GLU  67 -11.996  14.122   1.750
  518   2HG   GLU  67          1HG       GLU  67 -13.344  13.069   1.402
   
  Start of MODEL           4
 Raw file had  518 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1   9.043   3.259  11.527
    2   2H    ALA   1          2H        ALA   1  10.337   4.308  11.862
    3   3H    ALA   1          1H        ALA   1   9.364   4.562  10.483
    4    HA   ALA   1           HA       ALA   1  10.631   3.214   9.266
    5   1HB   ALA   1          1HB       ALA   1  12.543   3.927  10.813
    6   2HB   ALA   1          3HB       ALA   1  12.136   2.597  11.886
    7   3HB   ALA   1          2HB       ALA   1  12.733   2.274  10.272
    8    OH   TYR   2           OH       TYR   2   4.590   2.387  10.993
    9    H    TYR   2           H        TYR   2  11.199   0.757   9.050
   10    HA   TYR   2           HA       TYR   2   9.720  -1.015  10.858
   11   1HB   TYR   2          2HB       TYR   2   8.938  -0.649   7.887
   12   2HB   TYR   2          1HB       TYR   2   8.336  -1.963   8.876
   13    HD1  TYR   2           HD2      TYR   2   7.214  -1.262  11.169
   14    HD2  TYR   2           HD1      TYR   2   7.696   1.369   7.845
   15    HE1  TYR   2           HE2      TYR   2   5.453   0.184  12.061
   16    HE2  TYR   2           HE1      TYR   2   5.926   2.809   8.751
   17    HH   TYR   2           HH       TYR   2   3.833   2.346  10.404
   18    NH1  ARG   3           NH2      ARG   3  11.690  -6.471  14.166
   19    NH2  ARG   3           NH1      ARG   3  10.590  -4.582  14.873
   20    H    ARG   3           H        ARG   3   9.868  -3.273   9.351
   21    HA   ARG   3           HA       ARG   3  12.798  -3.558   8.967
   22   1HB   ARG   3          2HB       ARG   3  10.511  -5.544   9.427
   23   2HB   ARG   3          1HB       ARG   3  12.059  -6.085   8.846
   24   1HG   ARG   3          2HG       ARG   3  11.943  -6.368  11.262
   25   2HG   ARG   3          1HG       ARG   3  13.188  -5.205  10.861
   26   1HD   ARG   3          2HD       ARG   3  11.664  -3.332  11.486
   27   2HD   ARG   3          1HD       ARG   3  10.381  -4.483  11.856
   28    HE   ARG   3           HE       ARG   3  12.914  -4.089  13.407
   29   1HH1  ARG   3          1HH2      ARG   3  12.343  -6.863  13.517
   30   2HH1  ARG   3          2HH2      ARG   3  11.261  -7.072  14.841
   31   1HH2  ARG   3          2HH1      ARG   3  10.446  -3.600  14.750
   32   2HH2  ARG   3          1HH1      ARG   3  10.081  -5.056  15.591
   33    HA   PRO   4           HA       PRO   4  11.938  -3.617   4.582
   34   1HB   PRO   4          2HB       PRO   4  14.201  -4.642   3.572
   35   2HB   PRO   4          1HB       PRO   4  14.248  -3.109   4.459
   36   1HG   PRO   4          2HG       PRO   4  14.707  -5.926   5.593
   37   2HG   PRO   4          1HG       PRO   4  15.844  -4.570   5.659
   38   1HD   PRO   4          2HD       PRO   4  14.163  -5.045   7.755
   39   2HD   PRO   4          1HD       PRO   4  14.435  -3.361   7.241
   40    H    SER   5           H        SER   5  10.361  -5.205   5.471
   41    HA   SER   5           HA       SER   5  10.269  -7.922   5.526
   42   1HB   SER   5          2HB       SER   5   7.838  -7.585   4.646
   43   2HB   SER   5          1HB       SER   5   8.293  -6.532   5.978
   44    HG   SER   5           HG       SER   5   8.240  -4.884   4.634
   45    H    GLU   6           H        GLU   6   9.073  -6.476   2.595
   46    HA   GLU   6           HA       GLU   6  10.765  -8.201   0.915
   47   1HB   GLU   6          2HB       GLU   6   8.639  -9.015  -0.325
   48   2HB   GLU   6          1HB       GLU   6   8.957  -9.739   1.240
   49   1HG   GLU   6          2HG       GLU   6   7.204  -7.275   1.216
   50   2HG   GLU   6          1HG       GLU   6   6.503  -8.732   0.558
   51    H    THR   7           H        THR   7  11.089  -7.377  -1.125
   52    HA   THR   7           HA       THR   7   9.787  -4.747  -1.729
   53    HB   THR   7           HB       THR   7  11.806  -4.189  -3.005
   54    HG1  THR   7           HG1      THR   7  11.871  -6.849  -3.444
   55   1HG2  THR   7          2HG2      THR   7  12.247  -4.389  -0.503
   56   2HG2  THR   7          1HG2      THR   7  12.791  -6.029  -0.764
   57   3HG2  THR   7          3HG2      THR   7  13.681  -4.681  -1.486
   58    H    LEU   8           H        LEU   8   8.497  -4.851  -3.484
   59    HA   LEU   8           HA       LEU   8   8.656  -7.222  -5.313
   60   1HB   LEU   8          2HB       LEU   8   5.901  -6.469  -4.392
   61   2HB   LEU   8          1HB       LEU   8   6.460  -8.006  -4.954
   62    HG   LEU   8           HG       LEU   8   7.861  -7.942  -2.654
   63   1HD1  LEU   8          3HD1      LEU   8   5.445  -6.131  -2.234
   64   2HD1  LEU   8          2HD1      LEU   8   6.469  -6.664  -0.914
   65   3HD1  LEU   8          1HD1      LEU   8   7.090  -5.596  -2.146
   66   1HD2  LEU   8          1HD2      LEU   8   4.900  -8.662  -2.814
   67   2HD2  LEU   8          3HD2      LEU   8   6.248  -9.692  -3.230
   68   3HD2  LEU   8          2HD2      LEU   8   6.010  -9.195  -1.570
   69    H    CYS   9           H        CYS   9   7.606  -6.765  -7.441
   70    HA   CYS   9           HA       CYS   9   6.760  -3.875  -7.609
   71   1HB   CYS   9          2HB       CYS   9   9.040  -4.227  -8.554
   72   2HB   CYS   9          1HB       CYS   9   8.340  -5.291  -9.755
   73    H    GLY  10           H        GLY  10   5.550  -3.287  -9.290
   74   1HA   GLY  10          2HA       GLY  10   3.386  -3.391 -10.298
   75   2HA   GLY  10          1HA       GLY  10   4.264  -4.479 -11.354
   76    H    GLY  11           H        GLY  11   3.532  -6.554 -11.489
   77   1HA   GLY  11          2HA       GLY  11   1.050  -7.344 -10.407
   78   2HA   GLY  11          1HA       GLY  11   2.264  -8.486 -10.984
   79    H    GLU  12           H        GLU  12   4.221  -8.446  -9.344
   80    HA   GLU  12           HA       GLU  12   3.413  -9.882  -7.061
   81   1HB   GLU  12          2HB       GLU  12   5.788  -9.498  -8.231
   82   2HB   GLU  12          1HB       GLU  12   5.928  -8.202  -7.071
   83   1HG   GLU  12          2HG       GLU  12   5.263 -10.083  -5.298
   84   2HG   GLU  12          1HG       GLU  12   5.659 -11.177  -6.602
   85    H    LEU  13           H        LEU  13   4.330  -6.579  -7.395
   86    HA   LEU  13           HA       LEU  13   4.005  -5.668  -4.708
   87   1HB   LEU  13          2HB       LEU  13   5.206  -4.468  -6.323
   88   2HB   LEU  13          1HB       LEU  13   3.831  -4.310  -7.394
   89    HG   LEU  13           HG       LEU  13   3.630  -3.162  -4.616
   90   1HD1  LEU  13          1HD1      LEU  13   5.797  -2.445  -5.620
   91   2HD1  LEU  13          3HD1      LEU  13   4.925  -1.842  -7.023
   92   3HD1  LEU  13          2HD1      LEU  13   4.677  -1.096  -5.432
   93   1HD2  LEU  13          2HD2      LEU  13   2.724  -2.362  -7.380
   94   2HD2  LEU  13          1HD2      LEU  13   1.715  -3.142  -6.168
   95   3HD2  LEU  13          3HD2      LEU  13   2.337  -1.519  -5.887
   96    H    VAL  14           H        VAL  14   1.693  -6.078  -7.272
   97    HA   VAL  14           HA       VAL  14  -0.481  -4.702  -5.884
   98    HB   VAL  14           HB       VAL  14  -0.256  -6.632  -8.273
   99   1HG1  VAL  14          3HG1      VAL  14  -2.482  -7.086  -7.197
  100   2HG1  VAL  14          2HG1      VAL  14  -2.878  -5.378  -7.339
  101   3HG1  VAL  14          1HG1      VAL  14  -2.628  -6.346  -8.776
  102   1HG2  VAL  14          1HG2      VAL  14   0.432  -4.235  -8.543
  103   2HG2  VAL  14          3HG2      VAL  14  -0.965  -4.610  -9.535
  104   3HG2  VAL  14          2HG2      VAL  14  -1.159  -3.717  -8.032
  105    H    ASP  15           H        ASP  15   0.361  -8.073  -6.524
  106    HA   ASP  15           HA       ASP  15  -1.476  -9.339  -4.825
  107   1HB   ASP  15          2HB       ASP  15   1.359 -10.021  -5.585
  108   2HB   ASP  15          1HB       ASP  15   0.362 -11.192  -4.798
  109    H    THR  16           H        THR  16   1.397  -7.605  -4.048
  110    HA   THR  16           HA       THR  16   1.982  -8.492  -1.426
  111    HB   THR  16           HB       THR  16   2.024  -5.580  -2.370
  112    HG1  THR  16           HG1      THR  16   3.169  -7.768  -3.429
  113   1HG2  THR  16          3HG2      THR  16   2.674  -6.004   0.060
  114   2HG2  THR  16          2HG2      THR  16   3.936  -7.075  -0.550
  115   3HG2  THR  16          1HG2      THR  16   3.949  -5.366  -0.961
  116    H    LEU  17           H        LEU  17  -0.144  -5.866  -2.391
  117    HA   LEU  17           HA       LEU  17  -1.216  -5.308   0.196
  118   1HB   LEU  17          2HB       LEU  17  -2.422  -5.119  -2.487
  119   2HB   LEU  17          1HB       LEU  17  -2.969  -4.139  -1.137
  120    HG   LEU  17           HG       LEU  17  -0.083  -3.915  -2.234
  121   1HD1  LEU  17          1HD1      LEU  17  -1.719  -3.084  -3.963
  122   2HD1  LEU  17          3HD1      LEU  17  -2.329  -1.939  -2.757
  123   3HD1  LEU  17          2HD1      LEU  17  -0.655  -1.895  -3.269
  124   1HD2  LEU  17          3HD2      LEU  17  -1.855  -2.120  -0.568
  125   2HD2  LEU  17          2HD2      LEU  17  -0.529  -3.119   0.017
  126   3HD2  LEU  17          1HD2      LEU  17  -0.204  -1.776  -1.069
  127    H    GLN  18           H        GLN  18  -1.823  -7.799  -2.184
  128    HA   GLN  18           HA       GLN  18  -4.414  -8.520  -1.166
  129   1HB   GLN  18          2HB       GLN  18  -3.123  -9.495  -3.356
  130   2HB   GLN  18          1HB       GLN  18  -2.328 -10.552  -2.226
  131   1HG   GLN  18          2HG       GLN  18  -4.400 -11.528  -1.457
  132   2HG   GLN  18          1HG       GLN  18  -5.327 -10.522  -2.565
  133   1HE2  GLN  18          2HE2      GLN  18  -4.694 -12.663  -5.293
  134   2HE2  GLN  18          1HE2      GLN  18  -5.585 -11.355  -4.663
  135    H    PHE  19           H        PHE  19  -1.213  -8.940  -0.046
  136    HA   PHE  19           HA       PHE  19  -2.002 -10.877   2.045
  137   1HB   PHE  19          2HB       PHE  19   0.249 -11.338   2.100
  138   2HB   PHE  19          1HB       PHE  19   0.465 -10.236   0.768
  139    HD1  PHE  19           HD1      PHE  19   0.005  -9.916   4.520
  140    HD2  PHE  19           HD2      PHE  19   2.187  -8.730   1.050
  141    HE1  PHE  19           HE1      PHE  19   1.424  -8.487   5.911
  142    HE2  PHE  19           HE2      PHE  19   3.610  -7.309   2.456
  143    HZ   PHE  19           HZ       PHE  19   3.293  -7.229   4.845
  144    H    VAL  20           H        VAL  20  -0.960  -7.310   1.879
  145    HA   VAL  20           HA       VAL  20  -1.562  -7.086   4.631
  146    HB   VAL  20           HB       VAL  20  -1.390  -4.772   2.637
  147   1HG1  VAL  20          2HG1      VAL  20  -1.865  -4.548   5.031
  148   2HG1  VAL  20          1HG1      VAL  20  -0.348  -5.368   5.361
  149   3HG1  VAL  20          3HG1      VAL  20  -0.342  -3.790   4.540
  150   1HG2  VAL  20          1HG2      VAL  20   0.932  -6.348   3.770
  151   2HG2  VAL  20          3HG2      VAL  20   0.554  -6.352   2.062
  152   3HG2  VAL  20          2HG2      VAL  20   1.114  -4.901   2.834
  153    H    CYS  21           H        CYS  21  -3.082  -5.596   1.724
  154    HA   CYS  21           HA       CYS  21  -5.375  -4.709   3.100
  155   1HB   CYS  21          2HB       CYS  21  -4.870  -3.932   0.981
  156   2HB   CYS  21          1HB       CYS  21  -4.966  -5.472   0.296
  157    H    GLY  22           H        GLY  22  -5.108  -7.532   1.086
  158   1HA   GLY  22          2HA       GLY  22  -5.976  -9.731   1.644
  159   2HA   GLY  22          1HA       GLY  22  -7.041  -8.977   2.823
  160    H    ASP  23           H        ASP  23  -8.258 -10.641   1.587
  161    HA   ASP  23           HA       ASP  23  -9.315 -10.223  -0.996
  162   1HB   ASP  23          2HB       ASP  23  -9.418 -12.388   0.141
  163   2HB   ASP  23          1HB       ASP  23 -10.448 -11.705   1.398
  164    NH1  ARG  24           NH2      ARG  24 -13.654  -4.374   2.721
  165    NH2  ARG  24           NH1      ARG  24 -12.875  -5.576   4.515
  166    H    ARG  24           H        ARG  24  -9.698  -8.028  -0.993
  167    HA   ARG  24           HA       ARG  24 -12.473  -7.332  -0.780
  168   1HB   ARG  24          2HB       ARG  24 -12.119  -5.383   0.791
  169   2HB   ARG  24          1HB       ARG  24 -12.083  -6.952   1.562
  170   1HG   ARG  24          2HG       ARG  24  -9.489  -6.774   1.382
  171   2HG   ARG  24          1HG       ARG  24  -9.742  -5.087   0.977
  172   1HD   ARG  24          2HD       ARG  24 -10.727  -6.569   3.447
  173   2HD   ARG  24          1HD       ARG  24  -9.483  -5.326   3.417
  174    HE   ARG  24           HE       ARG  24 -11.214  -3.646   2.893
  175   1HH1  ARG  24          1HH2      ARG  24 -13.451  -3.807   1.920
  176   2HH1  ARG  24          2HH2      ARG  24 -14.612  -4.558   2.930
  177   1HH2  ARG  24          2HH1      ARG  24 -12.071  -5.893   5.017
  178   2HH2  ARG  24          1HH1      ARG  24 -13.785  -5.829   4.842
  179    H    GLY  25           H        GLY  25  -9.149  -6.622  -1.295
  180   1HA   GLY  25          2HA       GLY  25  -8.529  -5.729  -3.485
  181   2HA   GLY  25          1HA       GLY  25  -9.978  -4.746  -3.425
  182    H    PHE  26           H        PHE  26  -7.246  -3.903  -3.883
  183    HA   PHE  26           HA       PHE  26  -6.929  -1.837  -1.743
  184   1HB   PHE  26          2HB       PHE  26  -4.392  -2.329  -2.094
  185   2HB   PHE  26          1HB       PHE  26  -5.335  -3.218  -0.921
  186    HD1  PHE  26           HD2      PHE  26  -3.832  -3.395  -4.270
  187    HD2  PHE  26           HD1      PHE  26  -6.062  -5.475  -1.309
  188    HE1  PHE  26           HE2      PHE  26  -3.422  -5.475  -5.396
  189    HE2  PHE  26           HE1      PHE  26  -5.681  -7.546  -2.403
  190    HZ   PHE  26           HZ       PHE  26  -4.337  -7.613  -4.525
  191    OH   TYR  27           OH       TYR  27 -11.502   2.101  -2.228
  192    H    TYR  27           H        TYR  27  -6.127   0.027  -2.527
  193    HA   TYR  27           HA       TYR  27  -6.226   0.311  -5.412
  194   1HB   TYR  27          2HB       TYR  27  -5.469   2.368  -3.263
  195   2HB   TYR  27          1HB       TYR  27  -6.000   2.772  -4.885
  196    HD1  TYR  27           HD2      TYR  27  -8.444   2.257  -5.550
  197    HD2  TYR  27           HD1      TYR  27  -7.051   1.892  -1.534
  198    HE1  TYR  27           HE2      TYR  27 -10.745   2.269  -4.724
  199    HE2  TYR  27           HE1      TYR  27  -9.337   1.900  -0.728
  200    HH   TYR  27           HH       TYR  27 -11.511   2.478  -1.335
  201    H    PHE  28           H        PHE  28  -4.586   0.554  -6.712
  202    HA   PHE  28           HA       PHE  28  -1.792   0.306  -5.682
  203   1HB   PHE  28          2HB       PHE  28  -1.409  -0.541  -8.116
  204   2HB   PHE  28          1HB       PHE  28  -2.316  -1.621  -7.067
  205    HD1  PHE  28           HD2      PHE  28  -2.621   0.801  -9.875
  206    HD2  PHE  28           HD1      PHE  28  -4.683  -2.012  -7.416
  207    HE1  PHE  28           HE2      PHE  28  -4.525   0.844 -11.414
  208    HE2  PHE  28           HE1      PHE  28  -6.582  -1.963  -8.962
  209    HZ   PHE  28           HZ       PHE  28  -6.511  -0.537 -10.970
  210    H    SER  29           H        SER  29  -3.929   2.422  -6.596
  211    HA   SER  29           HA       SER  29  -2.084   4.540  -7.361
  212   1HB   SER  29          2HB       SER  29  -4.365   3.772  -9.274
  213   2HB   SER  29          1HB       SER  29  -3.257   5.129  -9.473
  214    HG   SER  29           HG       SER  29  -1.759   2.984  -9.049
  215    NH1  ARG  30           NH1      ARG  30  -7.069   7.851  -0.369
  216    NH2  ARG  30           NH2      ARG  30  -6.914   6.036   1.059
  217    H    ARG  30           H        ARG  30  -3.032   5.140  -5.161
  218    HA   ARG  30           HA       ARG  30  -5.894   5.738  -5.118
  219   1HB   ARG  30          2HB       ARG  30  -3.661   6.681  -3.283
  220   2HB   ARG  30          1HB       ARG  30  -5.338   7.084  -3.008
  221   1HG   ARG  30          2HG       ARG  30  -5.656   4.441  -3.175
  222   2HG   ARG  30          1HG       ARG  30  -3.934   4.405  -2.825
  223   1HD   ARG  30          2HD       ARG  30  -5.117   4.252  -0.698
  224   2HD   ARG  30          1HD       ARG  30  -4.424   5.869  -0.776
  225    HE   ARG  30           HE       ARG  30  -7.222   5.548  -1.769
  226   1HH1  ARG  30          2HH1      ARG  30  -7.027   8.187  -1.312
  227   2HH1  ARG  30          1HH1      ARG  30  -7.283   8.528   0.337
  228   1HH2  ARG  30          1HH2      ARG  30  -6.703   5.056   1.129
  229   2HH2  ARG  30          2HH2      ARG  30  -7.167   6.544   1.885
  230    HA   PRO  31           HA       PRO  31  -5.318   9.861  -6.836
  231   1HB   PRO  31          2HB       PRO  31  -7.883  10.796  -6.730
  232   2HB   PRO  31          1HB       PRO  31  -7.449   9.453  -7.782
  233   1HG   PRO  31          2HG       PRO  31  -8.541   9.288  -4.933
  234   2HG   PRO  31          1HG       PRO  31  -9.255   8.592  -6.390
  235   1HD   PRO  31          2HD       PRO  31  -7.579   7.098  -4.826
  236   2HD   PRO  31          1HD       PRO  31  -7.483   6.962  -6.604
  237    H    ALA  32           H        ALA  32  -6.673  11.916  -5.965
  238    HA   ALA  32           HA       ALA  32  -5.163  12.945  -3.754
  239   1HB   ALA  32          3HB       ALA  32  -7.584  14.129  -5.184
  240   2HB   ALA  32          2HB       ALA  32  -6.545  15.037  -4.103
  241   3HB   ALA  32          1HB       ALA  32  -5.902  14.417  -5.610
  242    H    SER  33           H        SER  33  -6.288  14.302  -2.031
  243    HA   SER  33           HA       SER  33  -8.773  13.446  -0.838
  244   1HB   SER  33          2HB       SER  33  -6.200  12.888   0.788
  245   2HB   SER  33          1HB       SER  33  -7.849  12.412   1.203
  246    HG   SER  33           HG       SER  33  -7.530  11.375  -1.109
  247    NH1  ARG  34           NH2      ARG  34 -11.969  19.806  -0.436
  248    NH2  ARG  34           NH1      ARG  34 -13.901  18.974   0.486
  249    H    ARG  34           H        ARG  34  -7.936  14.471   1.740
  250    HA   ARG  34           HA       ARG  34  -6.974  17.224   1.044
  251   1HB   ARG  34          2HB       ARG  34  -9.165  16.510   3.053
  252   2HB   ARG  34          1HB       ARG  34  -8.620  18.127   2.654
  253   1HG   ARG  34          2HG       ARG  34  -9.390  17.840   0.310
  254   2HG   ARG  34          1HG       ARG  34  -9.897  16.197   0.655
  255   1HD   ARG  34          2HD       ARG  34 -11.543  17.002   2.319
  256   2HD   ARG  34          1HD       ARG  34 -11.028  18.660   2.045
  257    HE   ARG  34           HE       ARG  34 -12.178  16.969  -0.170
  258   1HH1  ARG  34          1HH2      ARG  34 -11.010  19.617  -0.649
  259   2HH1  ARG  34          2HH2      ARG  34 -12.359  20.695  -0.675
  260   1HH2  ARG  34          2HH1      ARG  34 -14.349  18.203   0.938
  261   2HH2  ARG  34          1HH1      ARG  34 -14.431  19.803   0.311
  262    H    VAL  35           H        VAL  35  -5.965  14.649   2.296
  263    HA   VAL  35           HA       VAL  35  -5.000  15.607   4.870
  264    HB   VAL  35           HB       VAL  35  -5.396  12.947   3.428
  265   1HG1  VAL  35          3HG1      VAL  35  -4.224  13.362   6.136
  266   2HG1  VAL  35          2HG1      VAL  35  -4.761  11.819   5.444
  267   3HG1  VAL  35          1HG1      VAL  35  -3.424  12.695   4.708
  268   1HG2  VAL  35          1HG2      VAL  35  -7.442  14.042   4.413
  269   2HG2  VAL  35          3HG2      VAL  35  -7.053  12.557   5.259
  270   3HG2  VAL  35          2HG2      VAL  35  -6.643  14.109   5.972
  271    H    SER  36           H        SER  36  -4.090  16.241   2.056
  272    HA   SER  36           HA       SER  36  -2.110  16.415   0.785
  273   1HB   SER  36          2HB       SER  36  -1.100  17.092   3.515
  274   2HB   SER  36          1HB       SER  36  -0.538  17.624   1.907
  275    HG   SER  36           HG       SER  36  -2.556  18.676   3.332
  276    NH1  ARG  37           NH2      ARG  37   2.079   9.998   6.103
  277    NH2  ARG  37           NH1      ARG  37   2.035   7.712   5.838
  278    H    ARG  37           H        ARG  37  -2.420  14.019   1.244
  279    HA   ARG  37           HA       ARG  37   0.224  12.795   1.058
  280   1HB   ARG  37          2HB       ARG  37  -0.616  12.781   3.608
  281   2HB   ARG  37          1HB       ARG  37  -1.698  11.516   3.071
  282   1HG   ARG  37          2HG       ARG  37   0.646  10.512   2.032
  283   2HG   ARG  37          1HG       ARG  37   1.310  11.565   3.251
  284   1HD   ARG  37          2HD       ARG  37  -0.087  10.467   5.010
  285   2HD   ARG  37          1HD       ARG  37  -0.696   9.345   3.812
  286    HE   ARG  37           HE       ARG  37   1.811   8.723   3.437
  287   1HH1  ARG  37          1HH2      ARG  37   1.905  10.883   5.667
  288   2HH1  ARG  37          2HH2      ARG  37   2.427   9.984   7.039
  289   1HH2  ARG  37          2HH1      ARG  37   1.845   6.928   5.248
  290   2HH2  ARG  37          1HH1      ARG  37   2.380   7.538   6.760
  291    NH1  ARG  38           NH1      ARG  38  -2.979   6.264   3.716
  292    NH2  ARG  38           NH2      ARG  38  -4.951   6.520   4.779
  293    H    ARG  38           H        ARG  38  -1.041  10.116   1.388
  294    HA   ARG  38           HA       ARG  38  -2.143   8.567  -0.077
  295   1HB   ARG  38          2HB       ARG  38  -4.146  10.901  -0.303
  296   2HB   ARG  38          1HB       ARG  38  -4.492   9.200  -0.471
  297   1HG   ARG  38          2HG       ARG  38  -3.828  10.698   2.111
  298   2HG   ARG  38          1HG       ARG  38  -5.291   9.808   1.747
  299   1HD   ARG  38          2HD       ARG  38  -3.848   7.673   1.607
  300   2HD   ARG  38          1HD       ARG  38  -2.509   8.656   2.181
  301    HE   ARG  38           HE       ARG  38  -4.193   9.026   4.258
  302   1HH1  ARG  38          2HH1      ARG  38  -2.208   6.619   3.192
  303   2HH1  ARG  38          1HH1      ARG  38  -3.001   5.291   3.984
  304   1HH2  ARG  38          1HH2      ARG  38  -5.748   7.049   5.066
  305   2HH2  ARG  38          2HH2      ARG  38  -4.889   5.547   5.049
  306    H    SER  39           H        SER  39  -3.671   9.846  -2.435
  307    HA   SER  39           HA       SER  39  -3.147  10.302  -4.667
  308   1HB   SER  39          2HB       SER  39  -2.483  12.498  -3.575
  309   2HB   SER  39          1HB       SER  39  -0.825  11.894  -3.496
  310    HG   SER  39           HG       SER  39  -1.210  11.417  -5.884
  311    NH1  ARG  40           NH1      ARG  40   5.495   5.659  -3.619
  312    NH2  ARG  40           NH2      ARG  40   6.308   7.592  -4.586
  313    H    ARG  40           H        ARG  40  -0.757   8.529  -2.927
  314    HA   ARG  40           HA       ARG  40   0.923   8.100  -5.239
  315   1HB   ARG  40          2HB       ARG  40   1.145   8.055  -2.360
  316   2HB   ARG  40          1HB       ARG  40   1.406   6.422  -2.899
  317   1HG   ARG  40          2HG       ARG  40   3.145   7.169  -4.409
  318   2HG   ARG  40          1HG       ARG  40   2.851   8.842  -3.909
  319   1HD   ARG  40          2HD       ARG  40   3.539   8.377  -1.604
  320   2HD   ARG  40          1HD       ARG  40   3.552   6.640  -1.850
  321    HE   ARG  40           HE       ARG  40   5.804   8.261  -2.162
  322   1HH1  ARG  40          2HH1      ARG  40   5.006   5.233  -2.847
  323   2HH1  ARG  40          1HH1      ARG  40   5.813   5.038  -4.336
  324   1HH2  ARG  40          1HH2      ARG  40   6.404   8.584  -4.561
  325   2HH2  ARG  40          2HH2      ARG  40   6.732   7.163  -5.389
  326    H    GLY  41           H        GLY  41   1.479   5.753  -5.577
  327   1HA   GLY  41          2HA       GLY  41  -0.776   3.831  -5.317
  328   2HA   GLY  41          1HA       GLY  41  -0.092   4.184  -6.946
  329    H    ILE  42           H        ILE  42   0.621   2.967  -3.756
  330    HA   ILE  42           HA       ILE  42   2.635   2.235  -2.856
  331    HB   ILE  42           HB       ILE  42   3.089  -0.120  -4.351
  332   1HG1  ILE  42          2HG1      ILE  42   0.769   0.502  -5.380
  333   2HG1  ILE  42          1HG1      ILE  42   0.942  -1.050  -4.559
  334   1HG2  ILE  42          3HG2      ILE  42   1.895   0.499  -1.719
  335   2HG2  ILE  42          2HG2      ILE  42   2.392  -1.079  -2.335
  336   3HG2  ILE  42          1HG2      ILE  42   3.563   0.221  -2.118
  337   1HD1  ILE  42          2HD1      ILE  42   0.075   1.435  -3.202
  338   2HD1  ILE  42          1HD1      ILE  42  -0.992   0.164  -3.804
  339   3HD1  ILE  42          3HD1      ILE  42   0.185  -0.164  -2.530
  340    H    VAL  43           H        VAL  43   3.020   0.784  -5.835
  341    HA   VAL  43           HA       VAL  43   5.065   0.202  -6.897
  342    HB   VAL  43           HB       VAL  43   4.208   2.838  -8.088
  343   1HG1  VAL  43          1HG1      VAL  43   6.068   1.530  -9.005
  344   2HG1  VAL  43          3HG1      VAL  43   5.021   0.107  -9.055
  345   3HG1  VAL  43          2HG1      VAL  43   4.647   1.512 -10.070
  346   1HG2  VAL  43          3HG2      VAL  43   2.862   0.051  -8.304
  347   2HG2  VAL  43          2HG2      VAL  43   2.125   1.373  -7.439
  348   3HG2  VAL  43          1HG2      VAL  43   2.365   1.507  -9.155
  349    H    GLU  44           H        GLU  44   5.679   3.806  -6.775
  350    HA   GLU  44           HA       GLU  44   8.432   3.380  -6.852
  351   1HB   GLU  44          2HB       GLU  44   6.681   5.495  -5.912
  352   2HB   GLU  44          1HB       GLU  44   8.367   5.668  -5.406
  353   1HG   GLU  44          2HG       GLU  44   9.040   5.679  -7.707
  354   2HG   GLU  44          1HG       GLU  44   7.475   5.097  -8.252
  355    H    GLU  45           H        GLU  45   6.366   2.971  -4.073
  356    HA   GLU  45           HA       GLU  45   8.675   2.853  -2.239
  357   1HB   GLU  45          2HB       GLU  45   6.978   2.806  -0.493
  358   2HB   GLU  45          1HB       GLU  45   6.554   4.066  -1.643
  359   1HG   GLU  45          2HG       GLU  45   5.262   2.045  -2.828
  360   2HG   GLU  45          1HG       GLU  45   5.477   1.352  -1.277
  361    H    CYS  46           H        CYS  46   5.982   0.527  -3.305
  362    HA   CYS  46           HA       CYS  46   7.648  -1.531  -1.914
  363   1HB   CYS  46          2HB       CYS  46   5.031  -1.385  -2.113
  364   2HB   CYS  46          1HB       CYS  46   5.280  -2.186  -3.636
  365    H    CYS  47           H        CYS  47   7.008  -0.401  -5.179
  366    HA   CYS  47           HA       CYS  47   8.426  -2.648  -6.406
  367   1HB   CYS  47          2HB       CYS  47   6.754  -1.490  -7.852
  368   2HB   CYS  47          1HB       CYS  47   7.647  -0.001  -7.724
  369    H    PHE  48           H        PHE  48   9.124   1.000  -5.837
  370    HA   PHE  48           HA       PHE  48  11.853   0.380  -6.620
  371   1HB   PHE  48          2HB       PHE  48  10.035   2.577  -6.310
  372   2HB   PHE  48          1HB       PHE  48  11.561   3.005  -5.727
  373    HD1  PHE  48           HD1      PHE  48   9.492   1.758  -8.536
  374    HD2  PHE  48           HD2      PHE  48  13.233   3.537  -7.536
  375    HE1  PHE  48           HE1      PHE  48   9.891   2.239 -10.892
  376    HE2  PHE  48           HE2      PHE  48  13.636   4.025  -9.895
  377    HZ   PHE  48           HZ       PHE  48  11.976   3.375 -11.600
  378    NH1  ARG  49           NH2      ARG  49  12.195   6.415   0.742
  379    NH2  ARG  49           NH1      ARG  49  10.038   7.219   0.637
  380    H    ARG  49           H        ARG  49  10.124   1.250  -3.444
  381    HA   ARG  49           HA       ARG  49  12.836   1.040  -2.189
  382   1HB   ARG  49          2HB       ARG  49  10.143   1.575  -0.784
  383   2HB   ARG  49          1HB       ARG  49  11.736   1.722  -0.119
  384   1HG   ARG  49          2HG       ARG  49  12.293   3.591  -1.518
  385   2HG   ARG  49          1HG       ARG  49  10.786   3.439  -2.407
  386   1HD   ARG  49          2HD       ARG  49   9.484   3.899  -0.328
  387   2HD   ARG  49          1HD       ARG  49  10.957   3.914   0.635
  388    HE   ARG  49           HE       ARG  49  10.638   5.853  -1.625
  389   1HH1  ARG  49          1HH2      ARG  49  12.844   5.751   0.368
  390   2HH1  ARG  49          2HH2      ARG  49  12.490   7.035   1.465
  391   1HH2  ARG  49          2HH1      ARG  49   9.142   7.144   0.200
  392   2HH2  ARG  49          1HH1      ARG  49  10.174   7.899   1.355
  393    H    SER  50           H        SER  50  11.209   0.004   0.173
  394    HA   SER  50           HA       SER  50  11.085  -2.836  -0.581
  395   1HB   SER  50          2HB       SER  50  11.969  -3.142   1.886
  396   2HB   SER  50          1HB       SER  50  13.144  -2.547   0.697
  397    HG   SER  50           HG       SER  50  13.193  -1.031   2.246
  398    H    CYS  51           H        CYS  51   8.951  -0.695  -0.083
  399    HA   CYS  51           HA       CYS  51   6.753  -0.730   0.819
  400   1HB   CYS  51          2HB       CYS  51   7.571  -3.513   0.477
  401   2HB   CYS  51          1HB       CYS  51   6.687  -3.404   1.955
  402    H    ASP  52           H        ASP  52   5.783  -0.315   2.895
  403    HA   ASP  52           HA       ASP  52   7.601  -0.597   5.285
  404   1HB   ASP  52          2HB       ASP  52   5.737   1.680   4.552
  405   2HB   ASP  52          1HB       ASP  52   6.314   1.474   6.173
  406    H    LEU  53           H        LEU  53   4.909  -1.661   3.999
  407    HA   LEU  53           HA       LEU  53   3.137  -3.026   4.767
  408   1HB   LEU  53          2HB       LEU  53   4.780  -3.411   6.847
  409   2HB   LEU  53          1HB       LEU  53   3.717  -2.309   7.672
  410    HG   LEU  53           HG       LEU  53   2.797  -4.354   8.173
  411   1HD1  LEU  53          2HD1      LEU  53   0.922  -2.947   7.224
  412   2HD1  LEU  53          1HD1      LEU  53   1.262  -3.648   5.652
  413   3HD1  LEU  53          3HD1      LEU  53   0.656  -4.657   6.946
  414   1HD2  LEU  53          2HD2      LEU  53   4.126  -5.738   6.553
  415   2HD2  LEU  53          1HD2      LEU  53   2.427  -6.193   6.472
  416   3HD2  LEU  53          3HD2      LEU  53   3.125  -5.161   5.240
  417    H    ALA  54           H        ALA  54   3.615  -0.535   7.104
  418    HA   ALA  54           HA       ALA  54   1.188   0.532   7.716
  419   1HB   ALA  54          2HB       ALA  54   3.712   2.123   7.183
  420   2HB   ALA  54          1HB       ALA  54   2.323   2.689   8.121
  421   3HB   ALA  54          3HB       ALA  54   3.273   1.310   8.673
  422    H    LEU  55           H        LEU  55   2.556   0.756   4.624
  423    HA   LEU  55           HA       LEU  55   0.929   2.899   3.629
  424   1HB   LEU  55          2HB       LEU  55   3.339   1.192   2.948
  425   2HB   LEU  55          1HB       LEU  55   2.469   1.770   1.621
  426    HG   LEU  55           HG       LEU  55   3.546   3.503   3.895
  427   1HD1  LEU  55          2HD1      LEU  55   4.773   2.967   1.137
  428   2HD1  LEU  55          1HD1      LEU  55   5.394   4.092   2.318
  429   3HD1  LEU  55          3HD1      LEU  55   5.412   2.376   2.644
  430   1HD2  LEU  55          2HD2      LEU  55   2.610   4.232   1.061
  431   2HD2  LEU  55          1HD2      LEU  55   1.694   4.550   2.525
  432   3HD2  LEU  55          3HD2      LEU  55   3.228   5.366   2.250
  433    H    LEU  56           H        LEU  56   1.782  -0.289   2.570
  434    HA   LEU  56           HA       LEU  56  -0.242  -1.065   0.941
  435   1HB   LEU  56          2HB       LEU  56   1.005  -2.694   3.110
  436   2HB   LEU  56          1HB       LEU  56   0.287  -3.393   1.705
  437    HG   LEU  56           HG       LEU  56   2.369  -3.357   0.733
  438   1HD1  LEU  56          1HD1      LEU  56   1.591  -1.294  -0.396
  439   2HD1  LEU  56          3HD1      LEU  56   2.345  -0.296   0.813
  440   3HD1  LEU  56          2HD1      LEU  56   3.325  -1.329  -0.186
  441   1HD2  LEU  56          2HD2      LEU  56   3.173  -1.576   3.021
  442   2HD2  LEU  56          1HD2      LEU  56   3.401  -3.325   2.858
  443   3HD2  LEU  56          3HD2      LEU  56   4.328  -2.224   1.880
  444    H    GLU  57           H        GLU  57  -0.296  -1.511   4.394
  445    HA   GLU  57           HA       GLU  57  -2.705  -2.821   4.600
  446   1HB   GLU  57          2HB       GLU  57  -2.886  -1.451   6.877
  447   2HB   GLU  57          1HB       GLU  57  -1.580  -2.581   6.639
  448   1HG   GLU  57          2HG       GLU  57  -0.063  -0.960   6.868
  449   2HG   GLU  57          1HG       GLU  57  -0.715   0.015   5.580
  450    H    THR  58           H        THR  58  -2.311   0.707   5.070
  451    HA   THR  58           HA       THR  58  -5.040   1.409   4.791
  452    HB   THR  58           HB       THR  58  -3.521   3.000   5.915
  453    HG1  THR  58           HG1      THR  58  -4.770   3.684   3.577
  454   1HG2  THR  58          2HG2      THR  58  -2.032   3.268   3.255
  455   2HG2  THR  58          1HG2      THR  58  -1.649   4.147   4.742
  456   3HG2  THR  58          3HG2      THR  58  -1.451   2.428   4.671
  457    OH   TYR  59           OH       TYR  59   0.753   4.536  -2.004
  458    H    TYR  59           H        TYR  59  -2.949   0.333   2.290
  459    HA   TYR  59           HA       TYR  59  -4.233   1.977   0.179
  460   1HB   TYR  59          2HB       TYR  59  -2.283  -0.322   0.169
  461   2HB   TYR  59          1HB       TYR  59  -3.208  -0.034  -1.285
  462    HD1  TYR  59           HD2      TYR  59  -3.123   2.272  -2.316
  463    HD2  TYR  59           HD1      TYR  59  -0.374   1.027   0.630
  464    HE1  TYR  59           HE2      TYR  59  -1.565   4.055  -3.020
  465    HE2  TYR  59           HE1      TYR  59   1.185   2.779  -0.034
  466    HH   TYR  59           HH       TYR  59   1.669   4.300  -1.783
  467    H    CYS  60           H        CYS  60  -5.043  -0.735   2.069
  468    HA   CYS  60           HA       CYS  60  -6.561  -2.328   0.367
  469   1HB   CYS  60          2HB       CYS  60  -5.810  -2.702   2.707
  470   2HB   CYS  60          1HB       CYS  60  -7.128  -1.727   3.249
  471    H    ALA  61           H        ALA  61  -8.810  -2.818   0.492
  472    HA   ALA  61           HA       ALA  61 -10.433  -0.593  -0.427
  473   1HB   ALA  61          1HB       ALA  61 -11.110  -3.546  -0.058
  474   2HB   ALA  61          3HB       ALA  61 -12.181  -2.376  -0.803
  475   3HB   ALA  61          2HB       ALA  61 -10.652  -2.743  -1.549
  476    H    THR  62           H        THR  62  -9.782  -0.760   2.605
  477    HA   THR  62           HA       THR  62 -12.412  -1.031   3.751
  478    HB   THR  62           HB       THR  62 -10.978  -1.446   5.446
  479    HG1  THR  62           HG1      THR  62 -11.385   0.591   6.270
  480   1HG2  THR  62          3HG2      THR  62  -9.064  -1.866   4.091
  481   2HG2  THR  62          2HG2      THR  62  -8.610  -0.164   4.060
  482   3HG2  THR  62          1HG2      THR  62  -8.586  -1.054   5.560
  483    HA   PRO  63           HA       PRO  63 -12.726   3.475   3.263
  484   1HB   PRO  63          2HB       PRO  63 -10.871   4.930   2.203
  485   2HB   PRO  63          1HB       PRO  63 -10.767   4.368   3.905
  486   1HG   PRO  63          2HG       PRO  63  -9.367   3.109   1.480
  487   2HG   PRO  63          1HG       PRO  63  -8.594   3.684   2.973
  488   1HD   PRO  63          2HD       PRO  63  -9.425   1.118   2.684
  489   2HD   PRO  63          1HD       PRO  63  -9.505   1.928   4.270
  490    H    ALA  64           H        ALA  64 -14.000   2.151   1.945
  491    HA   ALA  64           HA       ALA  64 -13.469   2.307  -1.011
  492   1HB   ALA  64          3HB       ALA  64 -15.299   0.417   0.576
  493   2HB   ALA  64          2HB       ALA  64 -15.109   0.404  -1.171
  494   3HB   ALA  64          1HB       ALA  64 -13.764  -0.038  -0.141
  495    H    LYS  65           H        LYS  65 -15.544   3.006  -2.296
  496    HA   LYS  65           HA       LYS  65 -16.714   5.194  -1.182
  497   1HB   LYS  65          2HB       LYS  65 -17.750   3.378  -3.375
  498   2HB   LYS  65          1HB       LYS  65 -17.890   5.082  -3.124
  499   1HG   LYS  65          2HG       LYS  65 -15.334   5.265  -3.369
  500   2HG   LYS  65          1HG       LYS  65 -15.419   3.666  -4.091
  501   1HD   LYS  65          2HD       LYS  65 -17.338   4.671  -5.588
  502   2HD   LYS  65          1HD       LYS  65 -16.800   6.220  -4.987
  503   1HE   LYS  65          2HE       LYS  65 -15.704   5.842  -7.095
  504   2HE   LYS  65          1HE       LYS  65 -14.489   5.769  -5.818
  505   1HZ   LYS  65          2HZ       LYS  65 -15.590   3.195  -6.195
  506   2HZ   LYS  65          1HZ       LYS  65 -15.128   3.795  -7.700
  507   3HZ   LYS  65          3HZ       LYS  65 -13.987   3.702  -6.449
  508    H    SER  66           H        SER  66 -17.419   4.463   0.880
  509    HA   SER  66           HA       SER  66 -20.194   3.448   0.883
  510   1HB   SER  66          2HB       SER  66 -17.901   2.154   2.475
  511   2HB   SER  66          1HB       SER  66 -19.605   1.702   2.607
  512    HG   SER  66           HG       SER  66 -19.061   1.765   0.021
  513    H    GLU  67           HN       GLU  67 -19.132   5.932   1.151
  514    HA   GLU  67           HA       GLU  67 -19.866   6.724   3.891
  515   1HB   GLU  67          2HB       GLU  67 -17.485   7.760   2.254
  516   2HB   GLU  67          1HB       GLU  67 -18.041   8.468   3.751
  517   1HG   GLU  67          2HG       GLU  67 -17.409   6.477   5.022
  518   2HG   GLU  67          1HG       GLU  67 -17.071   5.578   3.554
   
  Start of MODEL           5
 Raw file had  518 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1   3.522 -12.505   6.283
    2   2H    ALA   1          3H        ALA   1   3.067 -14.043   6.819
    3   3H    ALA   1          2H        ALA   1   2.009 -12.726   7.030
    4    HA   ALA   1           HA       ALA   1   2.923 -12.244   8.997
    5   1HB   ALA   1          2HB       ALA   1   5.101 -14.310   8.268
    6   2HB   ALA   1          1HB       ALA   1   4.813 -13.666   9.870
    7   3HB   ALA   1          3HB       ALA   1   3.621 -14.715   9.128
    8    OH   TYR   2           OH       TYR   2   8.527  -4.311   6.120
    9    H    TYR   2           H        TYR   2   4.648 -10.722   9.707
   10    HA   TYR   2           HA       TYR   2   6.352  -9.820   7.418
   11   1HB   TYR   2          2HB       TYR   2   4.409  -8.273   8.198
   12   2HB   TYR   2          1HB       TYR   2   5.309  -8.066   9.687
   13    HD1  TYR   2           HD1      TYR   2   6.019  -8.042   5.987
   14    HD2  TYR   2           HD2      TYR   2   6.670  -6.167   9.772
   15    HE1  TYR   2           HE1      TYR   2   7.369  -6.321   4.909
   16    HE2  TYR   2           HE2      TYR   2   8.012  -4.445   8.658
   17    HH   TYR   2           HH       TYR   2   9.433  -4.507   6.393
   18    NH1  ARG   3           NH1      ARG   3   7.197 -12.716  12.784
   19    NH2  ARG   3           NH2      ARG   3   8.401 -14.451  13.700
   20    H    ARG   3           H        ARG   3   8.165  -8.440   8.276
   21    HA   ARG   3           HA       ARG   3   9.497  -8.402  10.639
   22   1HB   ARG   3          2HB       ARG   3   9.630 -11.168   9.482
   23   2HB   ARG   3          1HB       ARG   3  11.185 -10.507   9.963
   24   1HG   ARG   3          2HG       ARG   3  10.500 -10.202  12.197
   25   2HG   ARG   3          1HG       ARG   3   8.804 -10.412  11.843
   26   1HD   ARG   3          2HD       ARG   3   9.471 -12.823  11.054
   27   2HD   ARG   3          1HD       ARG   3  11.025 -12.511  11.827
   28    HE   ARG   3           HE       ARG   3   9.794 -12.176  13.971
   29   1HH1  ARG   3          2HH1      ARG   3   7.233 -11.791  12.391
   30   2HH1  ARG   3          1HH1      ARG   3   6.322 -13.192  12.829
   31   1HH2  ARG   3          1HH2      ARG   3   9.299 -14.778  14.001
   32   2HH2  ARG   3          2HH2      ARG   3   7.617 -15.063  13.784
   33    HA   PRO   4           HA       PRO   4  12.609  -7.741   7.112
   34   1HB   PRO   4          2HB       PRO   4  12.392  -8.896   4.728
   35   2HB   PRO   4          1HB       PRO   4  12.795  -9.853   6.136
   36   1HG   PRO   4          2HG       PRO   4   9.980  -9.465   5.004
   37   2HG   PRO   4          1HG       PRO   4  10.853 -10.983   5.210
   38   1HD   PRO   4          2HD       PRO   4   9.163  -9.999   7.113
   39   2HD   PRO   4          1HD       PRO   4  10.628 -10.904   7.572
   40    H    SER   5           H        SER   5  11.549  -7.353   4.243
   41    HA   SER   5           HA       SER   5   9.494  -5.368   4.324
   42   1HB   SER   5          2HB       SER   5  11.370  -4.209   5.532
   43   2HB   SER   5          1HB       SER   5  12.322  -4.380   4.056
   44    HG   SER   5           HG       SER   5   9.759  -3.261   3.753
   45    H    GLU   6           H        GLU   6  12.182  -6.757   2.697
   46    HA   GLU   6           HA       GLU   6  12.844  -6.796   0.446
   47   1HB   GLU   6          2HB       GLU   6  10.733  -8.024  -0.812
   48   2HB   GLU   6          1HB       GLU   6  11.579  -8.784   0.506
   49   1HG   GLU   6          2HG       GLU   6   9.076  -7.141   0.957
   50   2HG   GLU   6          1HG       GLU   6   9.011  -8.851   0.619
   51    H    THR   7           H        THR   7  10.822  -6.574  -1.766
   52    HA   THR   7           HA       THR   7  10.283  -3.672  -1.917
   53    HB   THR   7           HB       THR   7  11.370  -3.665  -4.234
   54    HG1  THR   7           HG1      THR   7  12.441  -5.505  -4.766
   55   1HG2  THR   7          3HG2      THR   7  13.287  -4.486  -1.961
   56   2HG2  THR   7          2HG2      THR   7  13.740  -3.616  -3.413
   57   3HG2  THR   7          1HG2      THR   7  12.721  -2.842  -2.217
   58    H    LEU   8           H        LEU   8  10.362  -6.602  -3.843
   59    HA   LEU   8           HA       LEU   8   8.722  -7.725  -5.080
   60   1HB   LEU   8          2HB       LEU   8   6.629  -6.181  -3.528
   61   2HB   LEU   8          1HB       LEU   8   6.422  -7.690  -4.395
   62    HG   LEU   8           HG       LEU   8   8.376  -8.399  -2.556
   63   1HD1  LEU   8          2HD1      LEU   8   6.375  -6.536  -1.166
   64   2HD1  LEU   8          1HD1      LEU   8   7.525  -7.568  -0.361
   65   3HD1  LEU   8          3HD1      LEU   8   8.085  -6.201  -1.307
   66   1HD2  LEU   8          1HD2      LEU   8   6.286  -9.649  -3.123
   67   2HD2  LEU   8          3HD2      LEU   8   6.529  -9.537  -1.381
   68   3HD2  LEU   8          2HD2      LEU   8   5.362  -8.488  -2.172
   69    H    CYS   9           H        CYS   9   7.819  -7.366  -7.176
   70    HA   CYS   9           HA       CYS   9   6.773  -4.551  -7.612
   71   1HB   CYS   9          2HB       CYS   9   9.117  -4.780  -8.444
   72   2HB   CYS   9          1HB       CYS   9   8.508  -5.874  -9.669
   73    H    GLY  10           H        GLY  10   5.436  -4.180  -9.340
   74   1HA   GLY  10          2HA       GLY  10   3.388  -4.647 -10.430
   75   2HA   GLY  10          1HA       GLY  10   4.424  -5.707 -11.359
   76    H    GLY  11           H        GLY  11   3.580  -7.652 -11.587
   77   1HA   GLY  11          2HA       GLY  11   1.309  -8.722 -10.332
   78   2HA   GLY  11          1HA       GLY  11   2.520  -9.696 -11.157
   79    H    GLU  12           H        GLU  12   4.546  -8.675  -9.189
   80    HA   GLU  12           HA       GLU  12   4.001 -10.709  -7.094
   81   1HB   GLU  12          2HB       GLU  12   6.176 -10.740  -8.281
   82   2HB   GLU  12          1HB       GLU  12   6.461  -9.077  -7.834
   83   1HG   GLU  12          2HG       GLU  12   6.356  -9.901  -5.349
   84   2HG   GLU  12          1HG       GLU  12   6.413 -11.518  -6.031
   85    H    LEU  13           H        LEU  13   4.539  -7.292  -7.571
   86    HA   LEU  13           HA       LEU  13   4.630  -6.631  -4.768
   87   1HB   LEU  13          2HB       LEU  13   5.453  -5.010  -6.203
   88   2HB   LEU  13          1HB       LEU  13   4.066  -4.878  -7.223
   89    HG   LEU  13           HG       LEU  13   2.831  -3.834  -5.108
   90   1HD1  LEU  13          2HD1      LEU  13   5.620  -4.188  -3.979
   91   2HD1  LEU  13          1HD1      LEU  13   4.246  -3.405  -3.191
   92   3HD1  LEU  13          3HD1      LEU  13   4.232  -5.111  -3.458
   93   1HD2  LEU  13          1HD2      LEU  13   5.570  -2.686  -5.811
   94   2HD2  LEU  13          3HD2      LEU  13   4.127  -2.431  -6.793
   95   3HD2  LEU  13          2HD2      LEU  13   4.210  -1.788  -5.154
   96    H    VAL  14           H        VAL  14   2.057  -6.654  -7.113
   97    HA   VAL  14           HA       VAL  14  -0.020  -5.617  -5.502
   98    HB   VAL  14           HB       VAL  14  -0.193  -6.138  -7.966
   99   1HG1  VAL  14          3HG1      VAL  14   0.963  -8.271  -7.937
  100   2HG1  VAL  14          2HG1      VAL  14  -0.350  -9.048  -7.084
  101   3HG1  VAL  14          1HG1      VAL  14  -0.593  -8.458  -8.714
  102   1HG2  VAL  14          1HG2      VAL  14  -2.300  -5.834  -6.716
  103   2HG2  VAL  14          3HG2      VAL  14  -2.523  -7.012  -7.997
  104   3HG2  VAL  14          2HG2      VAL  14  -2.344  -7.546  -6.335
  105    H    ASP  15           H        ASP  15   1.701  -8.649  -5.287
  106    HA   ASP  15           HA       ASP  15  -0.368  -9.976  -3.765
  107   1HB   ASP  15          2HB       ASP  15   1.572 -11.276  -4.803
  108   2HB   ASP  15          1HB       ASP  15   2.611 -10.574  -3.572
  109    H    THR  16           H        THR  16   2.262  -7.774  -2.926
  110    HA   THR  16           HA       THR  16   2.360  -8.270  -0.142
  111    HB   THR  16           HB       THR  16   3.910  -6.555  -1.444
  112    HG1  THR  16           HG1      THR  16   4.295  -5.574   0.406
  113   1HG2  THR  16          2HG2      THR  16   2.028  -5.017  -2.373
  114   2HG2  THR  16          1HG2      THR  16   1.667  -4.574  -0.736
  115   3HG2  THR  16          3HG2      THR  16   3.224  -4.182  -1.428
  116    H    LEU  17           H        LEU  17   0.376  -5.830  -1.868
  117    HA   LEU  17           HA       LEU  17  -1.272  -5.217   0.349
  118   1HB   LEU  17          2HB       LEU  17  -2.149  -5.376  -2.438
  119   2HB   LEU  17          1HB       LEU  17  -2.860  -4.385  -1.194
  120    HG   LEU  17           HG       LEU  17  -0.021  -3.864  -2.165
  121   1HD1  LEU  17          2HD1      LEU  17  -1.735  -3.611  -3.884
  122   2HD1  LEU  17          1HD1      LEU  17  -2.634  -2.566  -2.774
  123   3HD1  LEU  17          3HD1      LEU  17  -1.053  -2.056  -3.367
  124   1HD2  LEU  17          1HD2      LEU  17  -2.108  -2.243  -0.691
  125   2HD2  LEU  17          3HD2      LEU  17  -0.723  -3.019   0.056
  126   3HD2  LEU  17          2HD2      LEU  17  -0.474  -1.716  -1.108
  127    H    GLN  18           H        GLN  18  -1.700  -7.471  -2.369
  128    HA   GLN  18           HA       GLN  18  -4.234  -8.413  -1.733
  129   1HB   GLN  18          2HB       GLN  18  -2.711  -9.220  -3.692
  130   2HB   GLN  18          1HB       GLN  18  -1.946 -10.271  -2.502
  131   1HG   GLN  18          2HG       GLN  18  -4.085 -11.401  -2.013
  132   2HG   GLN  18          1HG       GLN  18  -4.940 -10.315  -3.094
  133   1HE2  GLN  18          2HE2      GLN  18  -2.392 -12.950  -4.892
  134   2HE2  GLN  18          1HE2      GLN  18  -1.865 -12.216  -3.461
  135    H    PHE  19           H        PHE  19  -1.199  -9.416  -0.160
  136    HA   PHE  19           HA       PHE  19  -2.724 -11.346   1.410
  137   1HB   PHE  19          2HB       PHE  19  -0.681 -11.860   2.549
  138   2HB   PHE  19          1HB       PHE  19  -0.158 -11.435   0.935
  139    HD1  PHE  19           HD1      PHE  19  -0.757  -9.677   4.218
  140    HD2  PHE  19           HD2      PHE  19   1.745 -10.100   0.781
  141    HE1  PHE  19           HE1      PHE  19   0.742  -8.013   5.134
  142    HE2  PHE  19           HE2      PHE  19   3.266  -8.394   1.761
  143    HZ   PHE  19           HZ       PHE  19   2.807  -7.408   3.851
  144    H    VAL  20           H        VAL  20  -1.629  -7.836   2.031
  145    HA   VAL  20           HA       VAL  20  -2.930  -8.142   4.604
  146    HB   VAL  20           HB       VAL  20  -0.739  -6.908   3.787
  147   1HG1  VAL  20          3HG1      VAL  20  -1.684  -5.404   2.186
  148   2HG1  VAL  20          2HG1      VAL  20  -2.676  -4.637   3.415
  149   3HG1  VAL  20          1HG1      VAL  20  -0.930  -4.554   3.520
  150   1HG2  VAL  20          3HG2      VAL  20  -1.556  -7.155   6.001
  151   2HG2  VAL  20          2HG2      VAL  20  -0.882  -5.562   5.686
  152   3HG2  VAL  20          1HG2      VAL  20  -2.641  -5.772   5.773
  153    H    CYS  21           H        CYS  21  -3.533  -5.900   1.773
  154    HA   CYS  21           HA       CYS  21  -5.847  -4.728   2.745
  155   1HB   CYS  21          2HB       CYS  21  -4.905  -4.059   0.726
  156   2HB   CYS  21          1HB       CYS  21  -5.087  -5.609   0.052
  157    H    GLY  22           H        GLY  22  -5.429  -7.746   1.168
  158   1HA   GLY  22          2HA       GLY  22  -6.641  -9.725   1.175
  159   2HA   GLY  22          1HA       GLY  22  -7.576  -9.076   2.503
  160    H    ASP  23           H        ASP  23  -9.333  -9.909   1.850
  161    HA   ASP  23           HA       ASP  23 -10.688  -9.964  -0.618
  162   1HB   ASP  23          2HB       ASP  23 -11.998 -10.056   2.136
  163   2HB   ASP  23          1HB       ASP  23 -12.509 -10.880   0.679
  164    NH1  ARG  24           NH1      ARG  24 -13.400  -5.514   4.307
  165    NH2  ARG  24           NH2      ARG  24 -12.574  -3.710   5.470
  166    H    ARG  24           H        ARG  24 -10.038  -7.405  -0.776
  167    HA   ARG  24           HA       ARG  24 -12.647  -6.028  -0.612
  168   1HB   ARG  24          2HB       ARG  24 -10.296  -4.430   0.436
  169   2HB   ARG  24          1HB       ARG  24 -11.996  -4.283   0.817
  170   1HG   ARG  24          2HG       ARG  24 -11.807  -6.447   2.166
  171   2HG   ARG  24          1HG       ARG  24 -10.092  -6.455   1.800
  172   1HD   ARG  24          2HD       ARG  24 -10.411  -5.547   3.989
  173   2HD   ARG  24          1HD       ARG  24  -9.826  -4.294   2.907
  174    HE   ARG  24           HE       ARG  24 -12.145  -3.405   2.787
  175   1HH1  ARG  24          2HH1      ARG  24 -13.377  -6.020   3.441
  176   2HH1  ARG  24          1HH1      ARG  24 -13.997  -5.841   5.042
  177   1HH2  ARG  24          1HH2      ARG  24 -11.970  -2.908   5.485
  178   2HH2  ARG  24          2HH2      ARG  24 -13.103  -3.892   6.293
  179    H    GLY  25           H        GLY  25  -9.248  -5.848  -1.108
  180   1HA   GLY  25          2HA       GLY  25  -8.164  -5.549  -3.229
  181   2HA   GLY  25          1HA       GLY  25  -9.648  -4.797  -3.847
  182    H    PHE  26           H        PHE  26  -6.934  -3.771  -3.790
  183    HA   PHE  26           HA       PHE  26  -7.040  -1.402  -1.963
  184   1HB   PHE  26          2HB       PHE  26  -4.506  -1.353  -3.058
  185   2HB   PHE  26          1HB       PHE  26  -4.889  -2.197  -1.569
  186    HD1  PHE  26           HD1      PHE  26  -4.437  -2.660  -5.228
  187    HD2  PHE  26           HD2      PHE  26  -5.195  -4.450  -1.508
  188    HE1  PHE  26           HE1      PHE  26  -4.074  -4.856  -6.198
  189    HE2  PHE  26           HE2      PHE  26  -4.851  -6.652  -2.396
  190    HZ   PHE  26           HZ       PHE  26  -4.251  -6.904  -4.823
  191    OH   TYR  27           OH       TYR  27 -12.654   0.561  -3.236
  192    H    TYR  27           H        TYR  27  -6.009   0.513  -2.933
  193    HA   TYR  27           HA       TYR  27  -7.006   0.793  -5.763
  194   1HB   TYR  27          2HB       TYR  27  -6.962   2.878  -3.521
  195   2HB   TYR  27          1HB       TYR  27  -7.415   3.186  -5.183
  196    HD1  TYR  27           HD2      TYR  27  -9.117   1.008  -6.000
  197    HD2  TYR  27           HD1      TYR  27  -8.866   2.752  -2.113
  198    HE1  TYR  27           HE2      TYR  27 -11.368   0.207  -5.489
  199    HE2  TYR  27           HE1      TYR  27 -11.133   1.947  -1.626
  200    HH   TYR  27           HH       TYR  27 -12.573  -0.385  -3.065
  201    H    PHE  28           H        PHE  28  -4.412   0.676  -4.054
  202    HA   PHE  28           HA       PHE  28  -2.146   1.037  -4.389
  203   1HB   PHE  28          2HB       PHE  28  -3.031   1.954  -7.134
  204   2HB   PHE  28          1HB       PHE  28  -1.439   1.432  -6.680
  205    HD1  PHE  28           HD2      PHE  28  -1.392  -1.176  -5.774
  206    HD2  PHE  28           HD1      PHE  28  -4.445   0.596  -8.155
  207    HE1  PHE  28           HE2      PHE  28  -2.071  -3.400  -6.561
  208    HE2  PHE  28           HE1      PHE  28  -5.133  -1.624  -8.935
  209    HZ   PHE  28           HZ       PHE  28  -3.946  -3.621  -8.145
  210    H    SER  29           H        SER  29  -4.339   3.341  -4.298
  211    HA   SER  29           HA       SER  29  -4.518   5.650  -4.445
  212   1HB   SER  29          2HB       SER  29  -2.557   5.216  -2.122
  213   2HB   SER  29          1HB       SER  29  -3.759   6.487  -2.329
  214    HG   SER  29           HG       SER  29  -4.210   4.052  -1.459
  215    NH1  ARG  30           NH1      ARG  30  -1.980   6.802 -11.454
  216    NH2  ARG  30           NH2      ARG  30  -3.468   5.138 -11.926
  217    H    ARG  30           H        ARG  30  -2.958   4.952  -6.313
  218    HA   ARG  30           HA       ARG  30  -0.667   6.859  -6.441
  219   1HB   ARG  30          2HB       ARG  30  -0.085   5.469  -8.564
  220   2HB   ARG  30          1HB       ARG  30   0.095   4.648  -7.043
  221   1HG   ARG  30          2HG       ARG  30  -1.027   3.114  -8.500
  222   2HG   ARG  30          1HG       ARG  30  -2.107   3.640  -7.248
  223   1HD   ARG  30          2HD       ARG  30  -3.252   3.533  -9.448
  224   2HD   ARG  30          1HD       ARG  30  -3.282   5.168  -8.814
  225    HE   ARG  30           HE       ARG  30  -0.948   4.573 -10.501
  226   1HH1  ARG  30          2HH1      ARG  30  -1.213   7.103 -10.874
  227   2HH1  ARG  30          1HH1      ARG  30  -2.345   7.439 -12.139
  228   1HH2  ARG  30          1HH2      ARG  30  -3.787   4.208 -11.741
  229   2HH2  ARG  30          2HH2      ARG  30  -3.950   5.676 -12.618
  230    HA   PRO  31           HA       PRO  31  -4.433   7.246  -9.309
  231   1HB   PRO  31          2HB       PRO  31  -5.868   9.465  -8.633
  232   2HB   PRO  31          1HB       PRO  31  -5.986   7.962  -7.708
  233   1HG   PRO  31          2HG       PRO  31  -4.134  10.360  -7.159
  234   2HG   PRO  31          1HG       PRO  31  -5.277   9.617  -6.041
  235   1HD   PRO  31          2HD       PRO  31  -2.676   8.816  -5.952
  236   2HD   PRO  31          1HD       PRO  31  -3.985   7.612  -5.879
  237    H    ALA  32           H        ALA  32  -2.040   9.131  -9.088
  238    HA   ALA  32           HA       ALA  32  -2.357  11.317 -10.951
  239   1HB   ALA  32          1HB       ALA  32  -0.586  11.210  -9.191
  240   2HB   ALA  32          3HB       ALA  32   0.169   9.865 -10.027
  241   3HB   ALA  32          2HB       ALA  32   0.122  11.468 -10.764
  242    H    SER  33           H        SER  33   0.206  10.509 -12.398
  243    HA   SER  33           HA       SER  33  -1.055   8.640 -14.401
  244   1HB   SER  33          2HB       SER  33   0.469  11.205 -15.093
  245   2HB   SER  33          1HB       SER  33  -0.399  10.145 -16.214
  246    HG   SER  33           HG       SER  33  -2.097  10.620 -14.248
  247    NH1  ARG  34           NH2      ARG  34   2.367   2.670 -18.455
  248    NH2  ARG  34           NH1      ARG  34   2.661   1.509 -16.495
  249    H    ARG  34           H        ARG  34   1.370   9.097 -16.139
  250    HA   ARG  34           HA       ARG  34   3.144   7.188 -14.658
  251   1HB   ARG  34          2HB       ARG  34   2.884   7.767 -17.650
  252   2HB   ARG  34          1HB       ARG  34   4.065   6.684 -16.969
  253   1HG   ARG  34          2HG       ARG  34   1.086   6.277 -16.536
  254   2HG   ARG  34          1HG       ARG  34   1.920   5.642 -17.934
  255   1HD   ARG  34          2HD       ARG  34   3.573   4.521 -16.182
  256   2HD   ARG  34          1HD       ARG  34   2.318   4.895 -15.007
  257    HE   ARG  34           HE       ARG  34   0.743   3.493 -16.316
  258   1HH1  ARG  34          1HH2      ARG  34   2.034   3.515 -18.877
  259   2HH1  ARG  34          2HH2      ARG  34   2.766   1.963 -19.041
  260   1HH2  ARG  34          2HH1      ARG  34   2.544   1.505 -15.501
  261   2HH2  ARG  34          1HH1      ARG  34   3.085   0.715 -16.935
  262    H    VAL  35           H        VAL  35   3.103  10.210 -14.585
  263    HA   VAL  35           HA       VAL  35   5.771  10.836 -15.543
  264    HB   VAL  35           HB       VAL  35   3.272  12.328 -14.584
  265   1HG1  VAL  35          2HG1      VAL  35   5.800  13.523 -15.573
  266   2HG1  VAL  35          1HG1      VAL  35   4.253  14.359 -15.317
  267   3HG1  VAL  35          3HG1      VAL  35   5.113  13.660 -13.947
  268   1HG2  VAL  35          2HG2      VAL  35   3.153  11.320 -16.882
  269   2HG2  VAL  35          1HG2      VAL  35   3.154  13.067 -16.969
  270   3HG2  VAL  35          3HG2      VAL  35   4.617  12.172 -17.327
  271    H    SER  36           H        SER  36   5.021   9.233 -13.066
  272    HA   SER  36           HA       SER  36   5.632   9.082 -10.758
  273   1HB   SER  36          2HB       SER  36   8.160  10.258 -11.967
  274   2HB   SER  36          1HB       SER  36   7.920   9.263 -10.493
  275    HG   SER  36           HG       SER  36   7.342   7.574 -11.675
  276    NH1  ARG  37           NH2      ARG  37   2.668  17.479 -12.588
  277    NH2  ARG  37           NH1      ARG  37   0.965  18.433 -11.383
  278    H    ARG  37           H        ARG  37   4.266  10.913 -11.293
  279    HA   ARG  37           HA       ARG  37   4.689  13.639 -10.622
  280   1HB   ARG  37          2HB       ARG  37   2.477  11.894 -11.306
  281   2HB   ARG  37          1HB       ARG  37   2.002  12.735  -9.871
  282   1HG   ARG  37          2HG       ARG  37   3.012  14.173 -12.346
  283   2HG   ARG  37          1HG       ARG  37   1.332  13.739 -12.121
  284   1HD   ARG  37          2HD       ARG  37   1.501  15.001  -9.831
  285   2HD   ARG  37          1HD       ARG  37   2.977  15.721 -10.490
  286    HE   ARG  37           HE       ARG  37   0.300  15.906 -11.854
  287   1HH1  ARG  37          1HH2      ARG  37   3.100  16.621 -12.876
  288   2HH1  ARG  37          2HH2      ARG  37   3.060  18.355 -12.883
  289   1HH2  ARG  37          2HH1      ARG  37   0.164  18.297 -10.799
  290   2HH2  ARG  37          1HH1      ARG  37   1.243  19.370 -11.595
  291    NH1  ARG  38           NH1      ARG  38   8.320  16.328  -4.554
  292    NH2  ARG  38           NH2      ARG  38   8.152  14.131  -5.219
  293    H    ARG  38           H        ARG  38   3.412  14.646  -8.706
  294    HA   ARG  38           HA       ARG  38   4.632  13.503  -6.284
  295   1HB   ARG  38          2HB       ARG  38   2.595  15.773  -6.421
  296   2HB   ARG  38          1HB       ARG  38   3.746  15.516  -5.152
  297   1HG   ARG  38          2HG       ARG  38   4.391  16.448  -7.990
  298   2HG   ARG  38          1HG       ARG  38   4.641  17.346  -6.511
  299   1HD   ARG  38          2HD       ARG  38   6.161  14.823  -7.387
  300   2HD   ARG  38          1HD       ARG  38   6.805  16.449  -7.273
  301    HE   ARG  38           HE       ARG  38   5.710  15.543  -4.729
  302   1HH1  ARG  38          2HH1      ARG  38   7.876  17.222  -4.477
  303   2HH1  ARG  38          1HH1      ARG  38   9.268  16.223  -4.250
  304   1HH2  ARG  38          1HH2      ARG  38   7.574  13.413  -5.616
  305   2HH2  ARG  38          2HH2      ARG  38   9.090  13.885  -4.973
  306    H    SER  39           H        SER  39   2.876  13.500  -4.423
  307    HA   SER  39           HA       SER  39   0.910  12.524  -3.478
  308   1HB   SER  39          2HB       SER  39  -0.434  13.336  -5.612
  309   2HB   SER  39          1HB       SER  39   0.025  11.787  -6.345
  310    HG   SER  39           HG       SER  39  -1.055  10.695  -4.864
  311    NH1  ARG  40           NH2      ARG  40   4.858   4.427   0.950
  312    NH2  ARG  40           NH1      ARG  40   5.827   6.288   1.930
  313    H    ARG  40           H        ARG  40   1.472  10.532  -2.607
  314    HA   ARG  40           HA       ARG  40   3.291   8.811  -3.920
  315   1HB   ARG  40          2HB       ARG  40   2.351   9.218  -1.316
  316   2HB   ARG  40          1HB       ARG  40   1.635   7.673  -1.714
  317   1HG   ARG  40          2HG       ARG  40   4.002   7.028  -2.565
  318   2HG   ARG  40          1HG       ARG  40   4.520   8.485  -1.716
  319   1HD   ARG  40          2HD       ARG  40   3.519   7.635   0.402
  320   2HD   ARG  40          1HD       ARG  40   2.975   6.177  -0.436
  321    HE   ARG  40           HE       ARG  40   5.763   6.360  -0.867
  322   1HH1  ARG  40          1HH2      ARG  40   4.410   4.084   0.120
  323   2HH1  ARG  40          2HH2      ARG  40   4.955   3.798   1.718
  324   1HH2  ARG  40          2HH1      ARG  40   6.092   7.248   1.825
  325   2HH2  ARG  40          1HH1      ARG  40   5.999   5.828   2.801
  326    H    GLY  41           H        GLY  41   2.404   6.312  -3.202
  327   1HA   GLY  41          2HA       GLY  41   0.130   5.157  -3.993
  328   2HA   GLY  41          1HA       GLY  41   0.886   5.561  -5.540
  329    H    ILE  42           H        ILE  42   0.551   2.809  -4.907
  330    HA   ILE  42           HA       ILE  42   2.531   1.551  -3.586
  331    HB   ILE  42           HB       ILE  42   0.165   1.019  -4.579
  332   1HG1  ILE  42          2HG1      ILE  42   0.689  -1.339  -4.922
  333   2HG1  ILE  42          1HG1      ILE  42   2.389  -0.900  -4.661
  334   1HG2  ILE  42          2HG2      ILE  42   0.628   1.611  -6.928
  335   2HG2  ILE  42          1HG2      ILE  42   1.705   0.256  -7.106
  336   3HG2  ILE  42          3HG2      ILE  42   0.045  -0.040  -6.777
  337   1HD1  ILE  42          2HD1      ILE  42   0.150  -0.244  -2.765
  338   2HD1  ILE  42          1HD1      ILE  42   1.317  -1.553  -2.541
  339   3HD1  ILE  42          3HD1      ILE  42   1.833   0.117  -2.499
  340    H    VAL  43           H        VAL  43   3.078  -0.110  -6.107
  341    HA   VAL  43           HA       VAL  43   5.237  -0.541  -7.053
  342    HB   VAL  43           HB       VAL  43   5.339   1.041  -9.175
  343   1HG1  VAL  43          2HG1      VAL  43   2.977  -0.745  -8.487
  344   2HG1  VAL  43          1HG1      VAL  43   3.478  -0.285 -10.111
  345   3HG1  VAL  43          3HG1      VAL  43   4.539  -1.260  -9.104
  346   1HG2  VAL  43          2HG2      VAL  43   3.830   2.908  -8.225
  347   2HG2  VAL  43          1HG2      VAL  43   3.214   2.197  -9.687
  348   3HG2  VAL  43          3HG2      VAL  43   2.527   1.765  -8.141
  349    H    GLU  44           H        GLU  44   5.469   2.908  -7.780
  350    HA   GLU  44           HA       GLU  44   8.123   3.147  -7.431
  351   1HB   GLU  44          2HB       GLU  44   5.907   5.093  -6.945
  352   2HB   GLU  44          1HB       GLU  44   7.508   5.560  -6.416
  353   1HG   GLU  44          2HG       GLU  44   8.465   5.085  -8.636
  354   2HG   GLU  44          1HG       GLU  44   6.915   4.491  -9.195
  355    H    GLU  45           H        GLU  45   5.747   3.226  -4.711
  356    HA   GLU  45           HA       GLU  45   7.945   3.574  -2.822
  357   1HB   GLU  45          2HB       GLU  45   6.349   3.404  -1.077
  358   2HB   GLU  45          1HB       GLU  45   5.498   4.222  -2.386
  359   1HG   GLU  45          2HG       GLU  45   4.769   1.891  -3.143
  360   2HG   GLU  45          1HG       GLU  45   5.388   1.315  -1.609
  361    H    CYS  46           H        CYS  46   5.974   0.622  -3.681
  362    HA   CYS  46           HA       CYS  46   7.887  -0.884  -1.932
  363   1HB   CYS  46          2HB       CYS  46   5.348  -1.352  -1.959
  364   2HB   CYS  46          1HB       CYS  46   5.610  -1.944  -3.571
  365    H    CYS  47           H        CYS  47   6.706  -1.035  -5.299
  366    HA   CYS  47           HA       CYS  47   8.623  -2.862  -6.249
  367   1HB   CYS  47          2HB       CYS  47   6.783  -2.144  -7.719
  368   2HB   CYS  47          1HB       CYS  47   7.460  -0.530  -7.812
  369    H    PHE  48           H        PHE  48   8.942   0.916  -6.257
  370    HA   PHE  48           HA       PHE  48  11.725   0.467  -6.930
  371   1HB   PHE  48          2HB       PHE  48   9.726   2.593  -6.793
  372   2HB   PHE  48          1HB       PHE  48  11.292   3.093  -6.501
  373    HD1  PHE  48           HD2      PHE  48   9.865   0.486  -8.798
  374    HD2  PHE  48           HD1      PHE  48  11.863   4.245  -8.576
  375    HE1  PHE  48           HE2      PHE  48  10.023   0.541 -11.235
  376    HE2  PHE  48           HE1      PHE  48  12.020   4.297 -11.020
  377    HZ   PHE  48           HZ       PHE  48  11.117   2.453 -12.361
  378    NH1  ARG  49           NH2      ARG  49  11.370   7.433  -2.260
  379    NH2  ARG  49           NH1      ARG  49  10.392   7.870  -0.211
  380    H    ARG  49           H        ARG  49   9.813   1.767  -3.992
  381    HA   ARG  49           HA       ARG  49  12.524   1.725  -2.625
  382   1HB   ARG  49          2HB       ARG  49   9.900   2.600  -1.239
  383   2HB   ARG  49          1HB       ARG  49  11.550   3.026  -0.935
  384   1HG   ARG  49          2HG       ARG  49  11.739   4.430  -2.802
  385   2HG   ARG  49          1HG       ARG  49  10.344   3.786  -3.603
  386   1HD   ARG  49          2HD       ARG  49   9.446   5.769  -2.707
  387   2HD   ARG  49          1HD       ARG  49   9.022   4.608  -1.453
  388    HE   ARG  49           HE       ARG  49  11.136   5.310  -0.245
  389   1HH1  ARG  49          1HH2      ARG  49  11.681   6.705  -2.876
  390   2HH1  ARG  49          2HH2      ARG  49  11.495   8.382  -2.536
  391   1HH2  ARG  49          2HH1      ARG  49   9.954   7.458   0.588
  392   2HH2  ARG  49          1HH1      ARG  49  10.484   8.862  -0.269
  393    H    SER  50           H        SER  50  10.387   1.046  -0.460
  394    HA   SER  50           HA       SER  50  10.238  -1.886  -0.893
  395   1HB   SER  50          2HB       SER  50  11.483  -0.566   1.576
  396   2HB   SER  50          1HB       SER  50  11.033  -2.281   1.525
  397    HG   SER  50           HG       SER  50  12.492  -2.673   0.120
  398    H    CYS  51           H        CYS  51   8.879  -2.999   0.646
  399    HA   CYS  51           HA       CYS  51   6.388  -1.520   1.144
  400   1HB   CYS  51          2HB       CYS  51   7.209  -4.347   0.807
  401   2HB   CYS  51          1HB       CYS  51   5.937  -4.122   1.956
  402    H    ASP  52           H        ASP  52   5.741  -0.956   3.106
  403    HA   ASP  52           HA       ASP  52   7.380  -1.778   5.495
  404   1HB   ASP  52          2HB       ASP  52   7.233   0.678   4.659
  405   2HB   ASP  52          1HB       ASP  52   5.609   0.649   5.354
  406    H    LEU  53           H        LEU  53   4.851  -2.821   4.201
  407    HA   LEU  53           HA       LEU  53   2.940  -4.017   4.883
  408   1HB   LEU  53          2HB       LEU  53   4.657  -4.489   6.925
  409   2HB   LEU  53          1HB       LEU  53   3.553  -3.498   7.830
  410    HG   LEU  53           HG       LEU  53   2.820  -5.692   8.161
  411   1HD1  LEU  53          3HD1      LEU  53   0.893  -4.253   7.684
  412   2HD1  LEU  53          2HD1      LEU  53   0.986  -4.634   5.970
  413   3HD1  LEU  53          1HD1      LEU  53   0.581  -5.881   7.124
  414   1HD2  LEU  53          2HD2      LEU  53   4.003  -6.770   6.208
  415   2HD2  LEU  53          1HD2      LEU  53   2.329  -7.275   6.254
  416   3HD2  LEU  53          3HD2      LEU  53   2.833  -6.020   5.139
  417    H    ALA  54           H        ALA  54   3.202  -1.713   7.529
  418    HA   ALA  54           HA       ALA  54   0.621  -0.888   7.898
  419   1HB   ALA  54          1HB       ALA  54   3.042   0.971   7.757
  420   2HB   ALA  54          3HB       ALA  54   1.527   1.357   8.557
  421   3HB   ALA  54          2HB       ALA  54   2.533   0.057   9.168
  422    H    LEU  55           H        LEU  55   2.694   0.136   5.304
  423    HA   LEU  55           HA       LEU  55   1.208   2.121   4.083
  424   1HB   LEU  55          2HB       LEU  55   3.401   0.160   3.529
  425   2HB   LEU  55          1HB       LEU  55   2.700   0.892   2.185
  426    HG   LEU  55           HG       LEU  55   4.094   2.233   4.538
  427   1HD1  LEU  55          3HD1      LEU  55   4.942   1.815   1.609
  428   2HD1  LEU  55          2HD1      LEU  55   5.914   2.637   2.838
  429   3HD1  LEU  55          1HD1      LEU  55   5.570   0.954   2.988
  430   1HD2  LEU  55          1HD2      LEU  55   2.948   3.509   2.018
  431   2HD2  LEU  55          3HD2      LEU  55   2.348   3.732   3.634
  432   3HD2  LEU  55          2HD2      LEU  55   3.916   4.355   3.242
  433    H    LEU  56           H        LEU  56   1.710  -1.176   3.310
  434    HA   LEU  56           HA       LEU  56  -0.235  -1.452   1.271
  435   1HB   LEU  56          2HB       LEU  56   0.888  -3.473   3.175
  436   2HB   LEU  56          1HB       LEU  56   0.175  -3.917   1.654
  437    HG   LEU  56           HG       LEU  56   2.331  -3.976   0.999
  438   1HD1  LEU  56          1HD1      LEU  56   1.455  -2.312  -0.500
  439   2HD1  LEU  56          3HD1      LEU  56   1.900  -1.010   0.592
  440   3HD1  LEU  56          2HD1      LEU  56   3.138  -1.956  -0.203
  441   1HD2  LEU  56          1HD2      LEU  56   3.207  -1.992   3.070
  442   2HD2  LEU  56          3HD2      LEU  56   3.459  -3.736   2.965
  443   3HD2  LEU  56          2HD2      LEU  56   4.229  -2.661   1.828
  444    H    GLU  57           H        GLU  57  -0.380  -1.813   4.768
  445    HA   GLU  57           HA       GLU  57  -2.913  -3.048   4.795
  446   1HB   GLU  57          2HB       GLU  57  -1.983  -0.970   6.875
  447   2HB   GLU  57          1HB       GLU  57  -3.201  -2.210   7.117
  448   1HG   GLU  57          2HG       GLU  57  -1.274  -3.826   6.330
  449   2HG   GLU  57          1HG       GLU  57  -0.236  -2.524   6.837
  450    H    THR  58           H        THR  58  -1.932   0.353   4.961
  451    HA   THR  58           HA       THR  58  -4.600   1.461   4.723
  452    HB   THR  58           HB       THR  58  -2.848   2.801   5.912
  453    HG1  THR  58           HG1      THR  58  -4.172   3.727   3.730
  454   1HG2  THR  58          3HG2      THR  58  -1.452   3.083   3.222
  455   2HG2  THR  58          2HG2      THR  58  -1.027   3.921   4.709
  456   3HG2  THR  58          1HG2      THR  58  -0.825   2.192   4.594
  457    OH   TYR  59           OH       TYR  59   0.980   4.751  -1.691
  458    H    TYR  59           H        TYR  59  -2.553   0.141   2.270
  459    HA   TYR  59           HA       TYR  59  -3.546   1.969   0.179
  460   1HB   TYR  59          2HB       TYR  59  -1.744  -0.382   0.313
  461   2HB   TYR  59          1HB       TYR  59  -2.586  -0.198  -1.231
  462    HD1  TYR  59           HD2      TYR  59  -2.612   2.118  -2.259
  463    HD2  TYR  59           HD1      TYR  59   0.116   1.093   0.804
  464    HE1  TYR  59           HE2      TYR  59  -1.195   4.036  -2.829
  465    HE2  TYR  59           HE1      TYR  59   1.501   2.997   0.239
  466    HH   TYR  59           HH       TYR  59   1.850   4.369  -1.879
  467    H    CYS  60           H        CYS  60  -4.752  -0.788   1.703
  468    HA   CYS  60           HA       CYS  60  -6.432  -1.973  -0.177
  469   1HB   CYS  60          2HB       CYS  60  -5.786  -2.737   2.124
  470   2HB   CYS  60          1HB       CYS  60  -6.994  -1.666   2.741
  471    H    ALA  61           H        ALA  61  -8.831  -2.065   0.078
  472    HA   ALA  61           HA       ALA  61  -9.977   0.641  -0.229
  473   1HB   ALA  61          2HB       ALA  61 -11.201  -2.114  -0.700
  474   2HB   ALA  61          1HB       ALA  61 -11.980  -0.588  -1.069
  475   3HB   ALA  61          3HB       ALA  61 -10.524  -1.072  -1.936
  476    H    THR  62           H        THR  62  -9.454  -1.170   2.373
  477    HA   THR  62           HA       THR  62 -12.020  -1.302   3.624
  478    HB   THR  62           HB       THR  62  -9.940  -2.588   4.399
  479    HG1  THR  62           HG1      THR  62 -10.502  -1.112   6.644
  480   1HG2  THR  62          1HG2      THR  62  -8.249  -0.752   4.222
  481   2HG2  THR  62          3HG2      THR  62  -9.009   0.062   5.587
  482   3HG2  THR  62          2HG2      THR  62  -8.264  -1.519   5.789
  483    HA   PRO  63           HA       PRO  63 -12.036   2.973   5.002
  484   1HB   PRO  63          2HB       PRO  63 -10.431   4.817   4.290
  485   2HB   PRO  63          1HB       PRO  63  -9.829   3.487   5.336
  486   1HG   PRO  63          2HG       PRO  63  -9.504   3.693   2.278
  487   2HG   PRO  63          1HG       PRO  63  -8.217   3.511   3.469
  488   1HD   PRO  63          2HD       PRO  63  -9.481   1.369   2.258
  489   2HD   PRO  63          1HD       PRO  63  -8.734   1.252   3.862
  490    H    ALA  64           H        ALA  64 -12.729   1.588   2.500
  491    HA   ALA  64           HA       ALA  64 -13.124   2.938   0.180
  492   1HB   ALA  64          2HB       ALA  64 -15.381   1.607   1.711
  493   2HB   ALA  64          1HB       ALA  64 -15.399   1.963  -0.005
  494   3HB   ALA  64          3HB       ALA  64 -14.263   0.778   0.629
  495    H    LYS  65           H        LYS  65 -13.405   5.224  -0.080
  496    HA   LYS  65           HA       LYS  65 -14.817   6.760   1.690
  497   1HB   LYS  65          2HB       LYS  65 -14.670   8.207  -0.291
  498   2HB   LYS  65          1HB       LYS  65 -13.123   7.676   0.278
  499   1HG   LYS  65          2HG       LYS  65 -12.833   6.348  -1.710
  500   2HG   LYS  65          1HG       LYS  65 -14.558   6.148  -1.942
  501   1HD   LYS  65          2HD       LYS  65 -13.550   7.630  -3.652
  502   2HD   LYS  65          1HD       LYS  65 -14.816   8.413  -2.717
  503   1HE   LYS  65          2HE       LYS  65 -13.207   9.654  -1.390
  504   2HE   LYS  65          1HE       LYS  65 -11.849   8.741  -2.038
  505   1HZ   LYS  65          2HZ       LYS  65 -13.333   9.868  -4.160
  506   2HZ   LYS  65          1HZ       LYS  65 -12.977  11.102  -3.054
  507   3HZ   LYS  65          3HZ       LYS  65 -11.721  10.170  -3.723
  508    H    SER  66           H        SER  66 -16.908   7.187   1.809
  509    HA   SER  66           HA       SER  66 -18.783   6.492  -0.351
  510   1HB   SER  66          2HB       SER  66 -18.494   4.527   1.406
  511   2HB   SER  66          1HB       SER  66 -19.270   5.629   2.555
  512    HG   SER  66           HG       SER  66 -20.390   4.199   0.567
  513    H    GLU  67           HN       GLU  67 -19.907   8.291  -0.587
  514    HA   GLU  67           HA       GLU  67 -20.246  10.194   1.667
  515   1HB   GLU  67          2HB       GLU  67 -20.029  10.719  -1.322
  516   2HB   GLU  67          1HB       GLU  67 -20.245  11.947  -0.095
  517   1HG   GLU  67          2HG       GLU  67 -17.854  11.900  -0.734
  518   2HG   GLU  67          1HG       GLU  67 -17.996  11.271   0.895
   
  Start of MODEL           6
 Raw file had  518 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          2H        ALA   1   6.344  -5.052  12.699
    2   2H    ALA   1          1H        ALA   1   5.850  -5.411  14.280
    3   3H    ALA   1          3H        ALA   1   6.263  -3.812  13.868
    4    HA   ALA   1           HA       ALA   1   8.414  -4.189  14.330
    5   1HB   ALA   1          3HB       ALA   1   7.537  -5.929  16.017
    6   2HB   ALA   1          2HB       ALA   1   7.589  -7.133  14.737
    7   3HB   ALA   1          1HB       ALA   1   9.073  -6.404  15.315
    8    OH   TYR   2           OH       TYR   2   4.471  -3.652   9.768
    9    H    TYR   2           H        TYR   2  10.290  -4.783  12.989
   10    HA   TYR   2           HA       TYR   2   9.724  -6.679  10.795
   11   1HB   TYR   2          2HB       TYR   2  10.543  -3.758  10.300
   12   2HB   TYR   2          1HB       TYR   2  10.364  -4.973   9.063
   13    HD1  TYR   2           HD1      TYR   2   8.074  -6.238   8.980
   14    HD2  TYR   2           HD2      TYR   2   8.653  -2.476  10.898
   15    HE1  TYR   2           HE1      TYR   2   5.666  -5.805   8.873
   16    HE2  TYR   2           HE2      TYR   2   6.248  -2.061  10.786
   17    HH   TYR   2           HH       TYR   2   4.427  -3.061   9.005
   18    NH1  ARG   3           NH1      ARG   3  14.754  -7.509  15.909
   19    NH2  ARG   3           NH2      ARG   3  13.232  -8.995  15.038
   20    H    ARG   3           H        ARG   3  11.650  -6.370   9.229
   21    HA   ARG   3           HA       ARG   3  14.267  -5.904   9.684
   22   1HB   ARG   3          2HB       ARG   3  13.403  -8.151  11.461
   23   2HB   ARG   3          1HB       ARG   3  14.612  -8.683  10.311
   24   1HG   ARG   3          2HG       ARG   3  16.276  -7.261  11.058
   25   2HG   ARG   3          1HG       ARG   3  15.168  -6.103  11.758
   26   1HD   ARG   3          2HD       ARG   3  15.583  -8.927  12.860
   27   2HD   ARG   3          1HD       ARG   3  16.376  -7.487  13.496
   28    HE   ARG   3           HE       ARG   3  13.591  -6.905  13.340
   29   1HH1  ARG   3          2HH1      ARG   3  15.382  -6.752  15.725
   30   2HH1  ARG   3          1HH1      ARG   3  14.672  -7.845  16.846
   31   1HH2  ARG   3          1HH2      ARG   3  12.765  -9.314  14.213
   32   2HH2  ARG   3          2HH2      ARG   3  13.033  -9.437  15.914
   33    HA   PRO   4           HA       PRO   4  14.123  -9.290   6.476
   34   1HB   PRO   4          2HB       PRO   4  12.300 -11.264   6.337
   35   2HB   PRO   4          1HB       PRO   4  13.549 -11.303   7.594
   36   1HG   PRO   4          2HG       PRO   4  10.691 -10.196   7.823
   37   2HG   PRO   4          1HG       PRO   4  11.456 -11.399   8.865
   38   1HD   PRO   4          2HD       PRO   4  11.446  -8.735   9.553
   39   2HD   PRO   4          1HD       PRO   4  12.845  -9.771   9.916
   40    H    SER   5           H        SER   5  12.188  -6.991   6.732
   41    HA   SER   5           HA       SER   5  10.015  -7.158   4.998
   42   1HB   SER   5          2HB       SER   5  11.821  -4.735   5.346
   43   2HB   SER   5          1HB       SER   5  10.076  -4.731   5.036
   44    HG   SER   5           HG       SER   5  10.099  -4.636   7.132
   45    H    GLU   6           H        GLU   6   9.853  -7.511   2.858
   46    HA   GLU   6           HA       GLU   6  12.264  -7.145   1.170
   47   1HB   GLU   6          2HB       GLU   6  10.604  -8.300  -0.595
   48   2HB   GLU   6          1HB       GLU   6  11.279  -9.265   0.704
   49   1HG   GLU   6          2HG       GLU   6   8.619  -7.918   1.105
   50   2HG   GLU   6          1HG       GLU   6   8.708  -9.374   0.119
   51    H    THR   7           H        THR   7  11.319  -6.543  -1.224
   52    HA   THR   7           HA       THR   7  10.054  -3.852  -0.998
   53    HB   THR   7           HB       THR   7  11.350  -3.526  -3.252
   54    HG1  THR   7           HG1      THR   7  12.645  -5.229  -3.731
   55   1HG2  THR   7          2HG2      THR   7  12.291  -2.740  -0.980
   56   2HG2  THR   7          1HG2      THR   7  13.055  -4.312  -0.805
   57   3HG2  THR   7          3HG2      THR   7  13.545  -3.233  -2.102
   58    H    LEU   8           H        LEU   8  10.591  -6.378  -3.286
   59    HA   LEU   8           HA       LEU   8   9.276  -7.480  -4.860
   60   1HB   LEU   8          2HB       LEU   8   6.806  -6.298  -3.590
   61   2HB   LEU   8          1HB       LEU   8   6.948  -7.722  -4.588
   62    HG   LEU   8           HG       LEU   8   8.443  -8.584  -2.526
   63   1HD1  LEU   8          1HD1      LEU   8   6.503  -6.577  -1.274
   64   2HD1  LEU   8          3HD1      LEU   8   7.287  -7.844  -0.382
   65   3HD1  LEU   8          2HD1      LEU   8   8.221  -6.542  -1.067
   66   1HD2  LEU   8          1HD2      LEU   8   5.453  -8.438  -2.716
   67   2HD2  LEU   8          3HD2      LEU   8   6.487  -9.648  -3.426
   68   3HD2  LEU   8          2HD2      LEU   8   6.312  -9.563  -1.670
   69    H    CYS   9           H        CYS   9   7.874  -7.157  -6.750
   70    HA   CYS   9           HA       CYS   9   7.016  -4.372  -7.224
   71   1HB   CYS   9          2HB       CYS   9   9.394  -4.295  -7.805
   72   2HB   CYS   9          1HB       CYS   9   9.171  -5.587  -8.967
   73    H    GLY  10           H        GLY  10   6.139  -4.021  -9.255
   74   1HA   GLY  10          2HA       GLY  10   4.037  -4.560 -10.383
   75   2HA   GLY  10          1HA       GLY  10   5.327  -5.035 -11.457
   76    H    GLY  11           H        GLY  11   2.525  -6.000 -10.044
   77   1HA   GLY  11          2HA       GLY  11   1.308  -8.014 -10.389
   78   2HA   GLY  11          1HA       GLY  11   2.760  -8.732 -11.126
   79    H    GLU  12           H        GLU  12   4.615  -8.946  -9.548
   80    HA   GLU  12           HA       GLU  12   3.875 -10.710  -7.418
   81   1HB   GLU  12          2HB       GLU  12   6.116 -10.798  -8.363
   82   2HB   GLU  12          1HB       GLU  12   6.432  -9.126  -7.996
   83   1HG   GLU  12          2HG       GLU  12   6.093  -9.876  -5.475
   84   2HG   GLU  12          1HG       GLU  12   6.308 -11.491  -6.119
   85    H    LEU  13           H        LEU  13   5.098  -7.413  -7.290
   86    HA   LEU  13           HA       LEU  13   4.691  -6.932  -4.514
   87   1HB   LEU  13          2HB       LEU  13   5.883  -5.277  -5.639
   88   2HB   LEU  13          1HB       LEU  13   4.792  -5.039  -6.957
   89    HG   LEU  13           HG       LEU  13   3.185  -4.036  -5.162
   90   1HD1  LEU  13          1HD1      LEU  13   5.780  -4.229  -3.558
   91   2HD1  LEU  13          3HD1      LEU  13   4.306  -3.410  -3.042
   92   3HD1  LEU  13          2HD1      LEU  13   4.337  -5.144  -3.239
   93   1HD2  LEU  13          3HD2      LEU  13   5.882  -2.761  -5.724
   94   2HD2  LEU  13          2HD2      LEU  13   4.448  -2.666  -6.730
   95   3HD2  LEU  13          1HD2      LEU  13   4.439  -1.924  -5.139
   96    H    VAL  14           H        VAL  14   2.360  -6.882  -7.127
   97    HA   VAL  14           HA       VAL  14   0.242  -5.636  -5.634
   98    HB   VAL  14           HB       VAL  14  -0.085  -7.792  -7.801
   99   1HG1  VAL  14          2HG1      VAL  14  -1.893  -5.474  -6.953
  100   2HG1  VAL  14          1HG1      VAL  14  -2.232  -6.618  -8.250
  101   3HG1  VAL  14          3HG1      VAL  14  -2.174  -7.164  -6.586
  102   1HG2  VAL  14          1HG2      VAL  14   1.431  -5.935  -8.567
  103   2HG2  VAL  14          3HG2      VAL  14  -0.093  -5.904  -9.440
  104   3HG2  VAL  14          2HG2      VAL  14   0.207  -4.762  -8.134
  105    H    ASP  15           H        ASP  15   1.534  -8.884  -5.701
  106    HA   ASP  15           HA       ASP  15  -0.671 -10.111  -4.326
  107   1HB   ASP  15          2HB       ASP  15   1.321 -11.376  -5.470
  108   2HB   ASP  15          1HB       ASP  15   2.213 -11.012  -4.011
  109    H    THR  16           H        THR  16   1.839  -7.939  -3.186
  110    HA   THR  16           HA       THR  16   1.922  -8.843  -0.512
  111    HB   THR  16           HB       THR  16   2.679  -6.501   0.100
  112    HG1  THR  16           HG1      THR  16   2.620  -5.622  -2.468
  113   1HG2  THR  16          3HG2      THR  16   3.771  -7.419  -2.542
  114   2HG2  THR  16          2HG2      THR  16   4.534  -6.296  -1.412
  115   3HG2  THR  16          1HG2      THR  16   4.318  -7.982  -0.970
  116    H    LEU  17           H        LEU  17   0.197  -6.146  -1.857
  117    HA   LEU  17           HA       LEU  17  -1.597  -5.631   0.266
  118   1HB   LEU  17          2HB       LEU  17  -2.418  -5.703  -2.557
  119   2HB   LEU  17          1HB       LEU  17  -3.030  -4.612  -1.331
  120    HG   LEU  17           HG       LEU  17  -0.167  -4.403  -2.429
  121   1HD1  LEU  17          2HD1      LEU  17  -1.955  -4.005  -4.064
  122   2HD1  LEU  17          1HD1      LEU  17  -2.660  -2.841  -2.933
  123   3HD1  LEU  17          3HD1      LEU  17  -1.064  -2.531  -3.622
  124   1HD2  LEU  17          2HD2      LEU  17  -1.997  -2.581  -0.891
  125   2HD2  LEU  17          1HD2      LEU  17  -0.623  -3.431  -0.235
  126   3HD2  LEU  17          3HD2      LEU  17  -0.376  -2.155  -1.426
  127    H    GLN  18           H        GLN  18  -1.800  -7.883  -2.501
  128    HA   GLN  18           HA       GLN  18  -4.406  -8.807  -1.917
  129   1HB   GLN  18          2HB       GLN  18  -2.890  -9.552  -3.931
  130   2HB   GLN  18          1HB       GLN  18  -2.064 -10.614  -2.804
  131   1HG   GLN  18          2HG       GLN  18  -5.045 -10.887  -3.325
  132   2HG   GLN  18          1HG       GLN  18  -3.807 -11.771  -4.208
  133   1HE2  GLN  18          2HE2      GLN  18  -4.984 -13.739  -1.189
  134   2HE2  GLN  18          1HE2      GLN  18  -5.879 -12.942  -2.395
  135    H    PHE  19           H        PHE  19  -1.325 -10.005  -0.515
  136    HA   PHE  19           HA       PHE  19  -2.794 -11.864   1.127
  137   1HB   PHE  19          2HB       PHE  19  -0.713 -12.342   2.246
  138   2HB   PHE  19          1HB       PHE  19  -0.259 -11.948   0.608
  139    HD1  PHE  19           HD1      PHE  19  -0.692 -10.110   3.888
  140    HD2  PHE  19           HD2      PHE  19   1.624 -10.639   0.370
  141    HE1  PHE  19           HE1      PHE  19   0.892  -8.432   4.678
  142    HE2  PHE  19           HE2      PHE  19   3.220  -8.932   1.196
  143    HZ   PHE  19           HZ       PHE  19   2.870  -7.854   3.341
  144    H    VAL  20           H        VAL  20  -1.708  -8.410   1.734
  145    HA   VAL  20           HA       VAL  20  -3.027  -8.721   4.344
  146    HB   VAL  20           HB       VAL  20  -0.780  -7.307   3.221
  147   1HG1  VAL  20          1HG1      VAL  20  -2.719  -5.442   4.532
  148   2HG1  VAL  20          3HG1      VAL  20  -1.046  -5.078   4.116
  149   3HG1  VAL  20          2HG1      VAL  20  -2.218  -5.345   2.842
  150   1HG2  VAL  20          2HG2      VAL  20  -1.079  -8.566   5.374
  151   2HG2  VAL  20          1HG2      VAL  20  -0.336  -7.008   5.578
  152   3HG2  VAL  20          3HG2      VAL  20  -2.029  -7.240   6.006
  153    H    CYS  21           H        CYS  21  -3.536  -6.412   1.563
  154    HA   CYS  21           HA       CYS  21  -5.741  -5.080   2.584
  155   1HB   CYS  21          2HB       CYS  21  -4.816  -4.414   0.591
  156   2HB   CYS  21          1HB       CYS  21  -5.062  -5.941  -0.110
  157    H    GLY  22           H        GLY  22  -5.757  -8.018   0.738
  158   1HA   GLY  22          2HA       GLY  22  -8.129  -8.851   0.053
  159   2HA   GLY  22          1HA       GLY  22  -7.256  -9.928   1.073
  160    H    ASP  23           H        ASP  23  -9.708  -7.976   0.747
  161    HA   ASP  23           HA       ASP  23 -11.548  -8.979   2.660
  162   1HB   ASP  23          2HB       ASP  23 -10.107  -6.520   3.498
  163   2HB   ASP  23          1HB       ASP  23 -11.739  -6.805   4.046
  164    NH1  ARG  24           NH1      ARG  24  -8.764  -4.961   4.389
  165    NH2  ARG  24           NH2      ARG  24 -10.654  -4.833   5.646
  166    H    ARG  24           H        ARG  24 -10.396  -6.120   1.093
  167    HA   ARG  24           HA       ARG  24 -13.112  -5.330   0.187
  168   1HB   ARG  24          2HB       ARG  24 -11.208  -3.066   0.522
  169   2HB   ARG  24          1HB       ARG  24 -12.814  -3.212   1.197
  170   1HG   ARG  24          2HG       ARG  24 -11.959  -4.479   3.122
  171   2HG   ARG  24          1HG       ARG  24 -10.374  -4.617   2.394
  172   1HD   ARG  24          2HD       ARG  24 -10.081  -2.145   2.543
  173   2HD   ARG  24          1HD       ARG  24 -11.557  -2.063   3.491
  174    HE   ARG  24           HE       ARG  24  -9.483  -2.340   5.006
  175   1HH1  ARG  24          2HH1      ARG  24  -8.104  -4.540   3.761
  176   2HH1  ARG  24          1HH1      ARG  24  -8.610  -5.931   4.648
  177   1HH2  ARG  24          1HH2      ARG  24 -11.437  -4.325   5.994
  178   2HH2  ARG  24          2HH2      ARG  24 -10.505  -5.799   5.904
  179    H    GLY  25           H        GLY  25  -9.644  -4.906  -0.030
  180   1HA   GLY  25          2HA       GLY  25  -8.441  -5.728  -2.014
  181   2HA   GLY  25          1HA       GLY  25  -9.844  -5.244  -2.940
  182    H    PHE  26           H        PHE  26  -6.953  -4.365  -2.882
  183    HA   PHE  26           HA       PHE  26  -6.909  -1.616  -1.966
  184   1HB   PHE  26          2HB       PHE  26  -4.585  -1.719  -3.350
  185   2HB   PHE  26          1HB       PHE  26  -4.779  -2.551  -1.814
  186    HD1  PHE  26           HD1      PHE  26  -5.261  -4.825  -1.707
  187    HD2  PHE  26           HD2      PHE  26  -4.508  -3.087  -5.481
  188    HE1  PHE  26           HE1      PHE  26  -5.005  -7.024  -2.573
  189    HE2  PHE  26           HE2      PHE  26  -4.232  -5.310  -6.422
  190    HZ   PHE  26           HZ       PHE  26  -4.455  -7.335  -5.006
  191    OH   TYR  27           OH       TYR  27  -7.314   3.952   1.025
  192    H    TYR  27           H        TYR  27  -6.035   0.105  -3.015
  193    HA   TYR  27           HA       TYR  27  -7.229   0.424  -5.736
  194   1HB   TYR  27          2HB       TYR  27  -8.134   2.655  -4.982
  195   2HB   TYR  27          1HB       TYR  27  -8.691   1.169  -4.230
  196    HD1  TYR  27           HD1      TYR  27  -5.553   2.131  -2.699
  197    HD2  TYR  27           HD2      TYR  27  -9.754   2.861  -2.618
  198    HE1  TYR  27           HE1      TYR  27  -5.384   3.015  -0.442
  199    HE2  TYR  27           HE2      TYR  27  -9.552   3.753  -0.371
  200    HH   TYR  27           HH       TYR  27  -7.986   3.531   1.579
  201    H    PHE  28           H        PHE  28  -4.540   1.050  -4.197
  202    HA   PHE  28           HA       PHE  28  -2.489   2.093  -4.916
  203   1HB   PHE  28          2HB       PHE  28  -2.992   0.997  -7.045
  204   2HB   PHE  28          1HB       PHE  28  -4.075   2.270  -7.526
  205    HD1  PHE  28           HD2      PHE  28  -0.907   3.341  -5.989
  206    HD2  PHE  28           HD1      PHE  28  -2.898   2.367  -9.615
  207    HE1  PHE  28           HE2      PHE  28   0.900   4.420  -7.284
  208    HE2  PHE  28           HE1      PHE  28  -1.106   3.453 -10.890
  209    HZ   PHE  28           HZ       PHE  28   0.795   4.485  -9.712
  210    H    SER  29           H        SER  29  -5.194   3.947  -6.245
  211    HA   SER  29           HA       SER  29  -3.960   6.515  -6.088
  212   1HB   SER  29          2HB       SER  29  -6.612   5.415  -6.861
  213   2HB   SER  29          1HB       SER  29  -6.710   7.051  -6.225
  214    HG   SER  29           HG       SER  29  -5.560   6.175  -8.536
  215    NH1  ARG  30           NH2      ARG  30  -2.764   5.667   3.477
  216    NH2  ARG  30           NH1      ARG  30  -2.988   7.747   4.360
  217    H    ARG  30           H        ARG  30  -3.974   5.217  -3.397
  218    HA   ARG  30           HA       ARG  30  -5.833   6.480  -1.675
  219   1HB   ARG  30          2HB       ARG  30  -4.438   4.760  -0.787
  220   2HB   ARG  30          1HB       ARG  30  -2.950   5.491  -1.262
  221   1HG   ARG  30          2HG       ARG  30  -4.486   7.178   0.645
  222   2HG   ARG  30          1HG       ARG  30  -4.208   5.572   1.266
  223   1HD   ARG  30          2HD       ARG  30  -1.729   5.876   0.976
  224   2HD   ARG  30          1HD       ARG  30  -2.022   7.377   0.136
  225    HE   ARG  30           HE       ARG  30  -2.128   8.446   2.160
  226   1HH1  ARG  30          1HH2      ARG  30  -2.510   5.079   2.720
  227   2HH1  ARG  30          2HH2      ARG  30  -3.056   5.185   4.321
  228   1HH2  ARG  30          2HH1      ARG  30  -2.988   8.745   4.259
  229   2HH2  ARG  30          1HH1      ARG  30  -3.210   7.401   5.282
  230    HA   PRO  31           HA       PRO  31  -3.141  10.371  -1.627
  231   1HB   PRO  31          2HB       PRO  31  -0.939  10.641  -3.036
  232   2HB   PRO  31          1HB       PRO  31  -0.945   9.700  -1.512
  233   1HG   PRO  31          2HG       PRO  31  -1.102   8.634  -4.391
  234   2HG   PRO  31          1HG       PRO  31  -0.102   8.077  -3.056
  235   1HD   PRO  31          2HD       PRO  31  -2.467   6.887  -3.658
  236   2HD   PRO  31          1HD       PRO  31  -1.757   6.902  -2.028
  237    H    ALA  32           H        ALA  32  -4.508   9.038  -3.995
  238    HA   ALA  32           HA       ALA  32  -4.067  10.822  -6.248
  239   1HB   ALA  32          1HB       ALA  32  -6.671   9.401  -5.527
  240   2HB   ALA  32          3HB       ALA  32  -6.315  10.130  -7.084
  241   3HB   ALA  32          2HB       ALA  32  -5.385   8.744  -6.545
  242    H    SER  33           H        SER  33  -5.833  12.394  -6.988
  243    HA   SER  33           HA       SER  33  -7.283  13.727  -4.815
  244   1HB   SER  33          2HB       SER  33  -5.249  15.417  -6.333
  245   2HB   SER  33          1HB       SER  33  -6.029  15.782  -4.792
  246    HG   SER  33           HG       SER  33  -4.763  13.630  -4.217
  247    NH1  ARG  34           NH1      ARG  34 -13.778  15.038  -3.788
  248    NH2  ARG  34           NH2      ARG  34 -14.095  17.063  -4.822
  249    H    ARG  34           H        ARG  34  -7.675  16.126  -6.106
  250    HA   ARG  34           HA       ARG  34  -8.793  15.351  -8.753
  251   1HB   ARG  34          2HB       ARG  34 -10.132  16.998  -6.529
  252   2HB   ARG  34          1HB       ARG  34 -10.764  16.885  -8.160
  253   1HG   ARG  34          2HG       ARG  34 -10.876  14.383  -7.969
  254   2HG   ARG  34          1HG       ARG  34 -10.299  14.467  -6.323
  255   1HD   ARG  34          2HD       ARG  34 -12.858  15.819  -7.290
  256   2HD   ARG  34          1HD       ARG  34 -12.828  14.232  -6.545
  257    HE   ARG  34           HE       ARG  34 -11.437  16.125  -4.865
  258   1HH1  ARG  34          2HH1      ARG  34 -13.195  14.233  -3.679
  259   2HH1  ARG  34          1HH1      ARG  34 -14.627  15.090  -3.262
  260   1HH2  ARG  34          1HH2      ARG  34 -13.729  17.729  -5.472
  261   2HH2  ARG  34          2HH2      ARG  34 -14.967  17.254  -4.369
  262    H    VAL  35           H        VAL  35  -6.360  16.884  -7.732
  263    HA   VAL  35           HA       VAL  35  -6.707  19.347  -9.273
  264    HB   VAL  35           HB       VAL  35  -6.194  19.773  -6.920
  265   1HG1  VAL  35          3HG1      VAL  35  -4.052  17.576  -7.056
  266   2HG1  VAL  35          2HG1      VAL  35  -4.328  18.642  -5.693
  267   3HG1  VAL  35          1HG1      VAL  35  -5.562  17.508  -6.145
  268   1HG2  VAL  35          3HG2      VAL  35  -4.747  20.931  -8.475
  269   2HG2  VAL  35          2HG2      VAL  35  -3.965  20.614  -6.911
  270   3HG2  VAL  35          1HG2      VAL  35  -3.547  19.636  -8.314
  271    H    SER  36           H        SER  36  -6.312  16.442  -9.915
  272    HA   SER  36           HA       SER  36  -5.176  15.064 -11.252
  273   1HB   SER  36          2HB       SER  36  -4.388  17.759 -12.423
  274   2HB   SER  36          1HB       SER  36  -4.228  16.202 -13.269
  275    HG   SER  36           HG       SER  36  -6.338  16.494 -13.662
  276    NH1  ARG  37           NH2      ARG  37   2.219  19.400  -5.318
  277    NH2  ARG  37           NH1      ARG  37   2.096  17.468  -4.095
  278    H    ARG  37           H        ARG  37  -3.395  16.781  -9.355
  279    HA   ARG  37           HA       ARG  37  -0.743  15.673 -10.180
  280   1HB   ARG  37          2HB       ARG  37  -0.888  18.053  -9.309
  281   2HB   ARG  37          1HB       ARG  37  -1.361  17.452  -7.733
  282   1HG   ARG  37          2HG       ARG  37   1.214  16.369  -8.932
  283   2HG   ARG  37          1HG       ARG  37   1.254  18.035  -8.436
  284   1HD   ARG  37          2HD       ARG  37   0.392  15.798  -6.530
  285   2HD   ARG  37          1HD       ARG  37   2.057  16.304  -6.703
  286    HE   ARG  37           HE       ARG  37  -0.137  18.182  -5.838
  287   1HH1  ARG  37          1HH2      ARG  37   1.879  19.917  -6.103
  288   2HH1  ARG  37          2HH2      ARG  37   2.938  19.813  -4.756
  289   1HH2  ARG  37          2HH1      ARG  37   1.668  16.566  -4.000
  290   2HH2  ARG  37          1HH1      ARG  37   2.797  17.741  -3.437
  291    NH1  ARG  38           NH2      ARG  38   1.321  13.433 -12.834
  292    NH2  ARG  38           NH1      ARG  38   2.783  11.685 -13.149
  293    H    ARG  38           H        ARG  38   0.334  14.210  -8.914
  294    HA   ARG  38           HA       ARG  38  -1.121  12.925  -6.658
  295   1HB   ARG  38          2HB       ARG  38   0.093  10.738  -7.919
  296   2HB   ARG  38          1HB       ARG  38  -1.589  11.111  -7.964
  297   1HG   ARG  38          2HG       ARG  38  -0.912  10.676 -10.214
  298   2HG   ARG  38          1HG       ARG  38  -1.092  12.408 -10.161
  299   1HD   ARG  38          2HD       ARG  38   1.400  12.696 -10.066
  300   2HD   ARG  38          1HD       ARG  38   1.613  10.968  -9.851
  301    HE   ARG  38           HE       ARG  38   0.404  10.818 -12.181
  302   1HH1  ARG  38          1HH2      ARG  38   0.500  13.754 -12.353
  303   2HH1  ARG  38          2HH2      ARG  38   1.802  14.048 -13.458
  304   1HH2  ARG  38          2HH1      ARG  38   3.025  10.739 -12.931
  305   2HH2  ARG  38          1HH1      ARG  38   3.379  12.188 -13.774
  306    H    SER  39           H        SER  39   0.483  11.131  -5.748
  307    HA   SER  39           HA       SER  39   3.287  12.002  -5.893
  308   1HB   SER  39          2HB       SER  39   1.614  12.400  -3.350
  309   2HB   SER  39          1HB       SER  39   3.380  12.417  -3.358
  310    HG   SER  39           HG       SER  39   2.502  13.909  -5.410
  311    NH1  ARG  40           NH1      ARG  40   3.495  10.436   2.849
  312    NH2  ARG  40           NH2      ARG  40   4.972  12.070   2.241
  313    H    ARG  40           H        ARG  40   1.716  10.060  -3.148
  314    HA   ARG  40           HA       ARG  40   3.730   8.116  -3.619
  315   1HB   ARG  40          2HB       ARG  40   1.430   8.536  -1.645
  316   2HB   ARG  40          1HB       ARG  40   2.746   7.450  -1.510
  317   1HG   ARG  40          2HG       ARG  40   4.402   9.278  -1.439
  318   2HG   ARG  40          1HG       ARG  40   3.167  10.472  -1.753
  319   1HD   ARG  40          2HD       ARG  40   2.070   9.669   0.463
  320   2HD   ARG  40          1HD       ARG  40   3.617   8.850   0.747
  321    HE   ARG  40           HE       ARG  40   3.839  11.721   0.049
  322   1HH1  ARG  40          2HH1      ARG  40   2.818   9.756   2.573
  323   2HH1  ARG  40          1HH1      ARG  40   3.707  10.528   3.819
  324   1HH2  ARG  40          1HH2      ARG  40   5.415  12.600   1.522
  325   2HH2  ARG  40          2HH2      ARG  40   5.241  12.255   3.188
  326    H    GLY  41           H        GLY  41   2.360   5.759  -3.057
  327   1HA   GLY  41          2HA       GLY  41   0.061   4.875  -3.989
  328   2HA   GLY  41          1HA       GLY  41   0.734   5.448  -5.510
  329    H    ILE  42           H        ILE  42   0.252   2.549  -4.910
  330    HA   ILE  42           HA       ILE  42   2.437   1.192  -4.091
  331    HB   ILE  42           HB       ILE  42  -0.134   0.737  -4.836
  332   1HG1  ILE  42          2HG1      ILE  42   0.383  -1.591  -4.876
  333   2HG1  ILE  42          1HG1      ILE  42   2.112  -1.193  -4.924
  334   1HG2  ILE  42          2HG2      ILE  42   0.400   1.020  -7.259
  335   2HG2  ILE  42          1HG2      ILE  42   1.476  -0.372  -7.098
  336   3HG2  ILE  42          3HG2      ILE  42  -0.242  -0.578  -6.879
  337   1HD1  ILE  42          2HD1      ILE  42   0.168  -0.391  -2.730
  338   2HD1  ILE  42          1HD1      ILE  42   1.366  -1.673  -2.616
  339   3HD1  ILE  42          3HD1      ILE  42   1.868  -0.009  -2.708
  340    H    VAL  43           H        VAL  43   3.569  -0.362  -5.919
  341    HA   VAL  43           HA       VAL  43   5.270  -0.547  -7.333
  342    HB   VAL  43           HB       VAL  43   4.575   1.613  -9.261
  343   1HG1  VAL  43          3HG1      VAL  43   4.519  -1.393  -9.204
  344   2HG1  VAL  43          2HG1      VAL  43   4.490  -0.413 -10.675
  345   3HG1  VAL  43          1HG1      VAL  43   5.899  -0.379  -9.607
  346   1HG2  VAL  43          2HG2      VAL  43   2.423  -0.464  -8.770
  347   2HG2  VAL  43          1HG2      VAL  43   2.215   1.257  -8.419
  348   3HG2  VAL  43          3HG2      VAL  43   2.477   0.729 -10.057
  349    H    GLU  44           H        GLU  44   4.776   3.082  -7.670
  350    HA   GLU  44           HA       GLU  44   7.560   3.417  -7.581
  351   1HB   GLU  44          2HB       GLU  44   5.212   5.198  -7.319
  352   2HB   GLU  44          1HB       GLU  44   6.635   5.849  -6.529
  353   1HG   GLU  44          2HG       GLU  44   7.893   5.491  -8.613
  354   2HG   GLU  44          1HG       GLU  44   6.547   4.682  -9.353
  355    H    GLU  45           H        GLU  45   5.251   3.291  -4.837
  356    HA   GLU  45           HA       GLU  45   7.443   3.850  -2.987
  357   1HB   GLU  45          2HB       GLU  45   5.866   3.339  -1.230
  358   2HB   GLU  45          1HB       GLU  45   4.979   4.194  -2.487
  359   1HG   GLU  45          2HG       GLU  45   4.458   1.932  -3.494
  360   2HG   GLU  45          1HG       GLU  45   5.106   1.212  -2.017
  361    H    CYS  46           H        CYS  46   5.814   0.709  -3.956
  362    HA   CYS  46           HA       CYS  46   7.894  -0.608  -2.260
  363   1HB   CYS  46          2HB       CYS  46   5.222  -1.285  -2.876
  364   2HB   CYS  46          1HB       CYS  46   6.212  -2.304  -3.809
  365    H    CYS  47           H        CYS  47   7.058  -0.489  -5.695
  366    HA   CYS  47           HA       CYS  47   9.089  -2.366  -6.480
  367   1HB   CYS  47          2HB       CYS  47   7.835  -0.131  -8.159
  368   2HB   CYS  47          1HB       CYS  47   9.080  -1.170  -8.729
  369    H    PHE  48           H        PHE  48   8.861   1.298  -6.363
  370    HA   PHE  48           HA       PHE  48  11.711   1.503  -6.907
  371   1HB   PHE  48          2HB       PHE  48   9.301   3.018  -7.004
  372   2HB   PHE  48          1HB       PHE  48  10.469   3.962  -6.205
  373    HD1  PHE  48           HD1      PHE  48  12.907   3.561  -7.869
  374    HD2  PHE  48           HD2      PHE  48   8.823   3.606  -9.081
  375    HE1  PHE  48           HE1      PHE  48  13.548   4.208 -10.143
  376    HE2  PHE  48           HE2      PHE  48   9.438   4.241 -11.295
  377    HZ   PHE  48           HZ       PHE  48  11.839   4.554 -11.878
  378    NH1  ARG  49           NH1      ARG  49  10.960   9.065  -1.570
  379    NH2  ARG  49           NH2      ARG  49   8.963   9.327  -2.683
  380    H    ARG  49           H        ARG  49   9.511   2.485  -4.075
  381    HA   ARG  49           HA       ARG  49  12.087   2.733  -2.543
  382   1HB   ARG  49          2HB       ARG  49   9.233   3.428  -1.603
  383   2HB   ARG  49          1HB       ARG  49  10.748   3.866  -0.851
  384   1HG   ARG  49          2HG       ARG  49  11.394   5.057  -3.054
  385   2HG   ARG  49          1HG       ARG  49   9.741   4.802  -3.569
  386   1HD   ARG  49          2HD       ARG  49   8.885   6.172  -1.684
  387   2HD   ARG  49          1HD       ARG  49  10.519   6.335  -1.038
  388    HE   ARG  49           HE       ARG  49  10.407   7.314  -3.776
  389   1HH1  ARG  49          2HH1      ARG  49  11.723   8.441  -1.398
  390   2HH1  ARG  49          1HH1      ARG  49  10.972   9.964  -1.132
  391   1HH2  ARG  49          1HH2      ARG  49   8.274   8.898  -3.271
  392   2HH2  ARG  49          2HH2      ARG  49   8.830  10.262  -2.363
  393    H    SER  50           H        SER  50  10.441   1.999  -0.078
  394    HA   SER  50           HA       SER  50  10.418  -0.952  -0.402
  395   1HB   SER  50          2HB       SER  50  11.547  -1.009   1.933
  396   2HB   SER  50          1HB       SER  50  12.586  -0.401   0.638
  397    HG   SER  50           HG       SER  50  11.598   0.893   2.802
  398    H    CYS  51           H        CYS  51   9.123  -2.066   1.220
  399    HA   CYS  51           HA       CYS  51   7.049  -0.321   2.474
  400   1HB   CYS  51          2HB       CYS  51   6.711  -3.087   1.298
  401   2HB   CYS  51          1HB       CYS  51   5.500  -2.200   2.179
  402    H    ASP  52           H        ASP  52   6.399  -0.918   4.540
  403    HA   ASP  52           HA       ASP  52   7.820  -3.230   5.802
  404   1HB   ASP  52          2HB       ASP  52   8.250  -0.542   6.211
  405   2HB   ASP  52          1HB       ASP  52   7.040  -0.898   7.444
  406    H    LEU  53           H        LEU  53   5.615  -3.310   4.543
  407    HA   LEU  53           HA       LEU  53   3.466  -4.432   4.632
  408   1HB   LEU  53          2HB       LEU  53   4.400  -5.261   6.934
  409   2HB   LEU  53          1HB       LEU  53   3.449  -3.988   7.635
  410    HG   LEU  53           HG       LEU  53   2.063  -5.741   7.921
  411   1HD1  LEU  53          2HD1      LEU  53   0.772  -3.926   6.753
  412   2HD1  LEU  53          1HD1      LEU  53   1.016  -4.765   5.227
  413   3HD1  LEU  53          3HD1      LEU  53   0.085  -5.483   6.516
  414   1HD2  LEU  53          2HD2      LEU  53   3.365  -7.360   6.522
  415   2HD2  LEU  53          1HD2      LEU  53   1.650  -7.516   6.250
  416   3HD2  LEU  53          3HD2      LEU  53   2.654  -6.669   5.073
  417    H    ALA  54           H        ALA  54   3.606  -2.092   7.162
  418    HA   ALA  54           HA       ALA  54   1.261  -0.899   7.503
  419   1HB   ALA  54          2HB       ALA  54   3.823   0.664   7.019
  420   2HB   ALA  54          1HB       ALA  54   2.392   1.282   7.839
  421   3HB   ALA  54          3HB       ALA  54   3.307  -0.042   8.546
  422    H    LEU  55           H        LEU  55   3.157  -0.232   4.577
  423    HA   LEU  55           HA       LEU  55   1.434   1.765   3.570
  424   1HB   LEU  55          2HB       LEU  55   3.837   0.183   2.887
  425   2HB   LEU  55          1HB       LEU  55   2.926   0.622   1.536
  426    HG   LEU  55           HG       LEU  55   3.985   2.529   3.688
  427   1HD1  LEU  55          3HD1      LEU  55   4.975   1.888   0.847
  428   2HD1  LEU  55          2HD1      LEU  55   5.691   3.097   1.893
  429   3HD1  LEU  55          1HD1      LEU  55   5.770   1.406   2.331
  430   1HD2  LEU  55          2HD2      LEU  55   1.993   3.470   2.371
  431   2HD2  LEU  55          1HD2      LEU  55   3.471   4.352   2.030
  432   3HD2  LEU  55          3HD2      LEU  55   2.874   3.157   0.889
  433    H    LEU  56           H        LEU  56   1.842  -1.646   2.965
  434    HA   LEU  56           HA       LEU  56  -0.091  -1.827   0.862
  435   1HB   LEU  56          2HB       LEU  56   0.843  -3.875   2.810
  436   2HB   LEU  56          1HB       LEU  56   0.040  -4.326   1.358
  437    HG   LEU  56           HG       LEU  56   2.106  -4.614   0.536
  438   1HD1  LEU  56          1HD1      LEU  56   2.063  -1.628   0.162
  439   2HD1  LEU  56          3HD1      LEU  56   3.200  -2.711  -0.610
  440   3HD1  LEU  56          2HD1      LEU  56   1.496  -2.904  -0.907
  441   1HD2  LEU  56          2HD2      LEU  56   3.323  -2.686   2.512
  442   2HD2  LEU  56          1HD2      LEU  56   3.314  -4.446   2.586
  443   3HD2  LEU  56          3HD2      LEU  56   4.210  -3.631   1.328
  444    H    GLU  57           H        GLU  57  -0.401  -2.551   4.285
  445    HA   GLU  57           HA       GLU  57  -2.988  -3.562   4.120
  446   1HB   GLU  57          2HB       GLU  57  -3.233  -2.670   6.575
  447   2HB   GLU  57          1HB       GLU  57  -1.886  -3.741   6.256
  448   1HG   GLU  57          2HG       GLU  57  -0.348  -1.842   6.096
  449   2HG   GLU  57          1HG       GLU  57  -1.674  -0.698   6.278
  450    H    THR  58           H        THR  58  -1.924  -0.280   4.439
  451    HA   THR  58           HA       THR  58  -4.587   0.895   4.515
  452    HB   THR  58           HB       THR  58  -2.712   2.130   5.636
  453    HG1  THR  58           HG1      THR  58  -4.220   3.176   3.647
  454   1HG2  THR  58          2HG2      THR  58  -0.855   1.455   4.089
  455   2HG2  THR  58          1HG2      THR  58  -1.504   2.503   2.855
  456   3HG2  THR  58          3HG2      THR  58  -0.898   3.178   4.361
  457    OH   TYR  59           OH       TYR  59   0.307   4.488  -1.836
  458    H    TYR  59           H        TYR  59  -2.869  -0.507   1.940
  459    HA   TYR  59           HA       TYR  59  -3.904   1.476  -0.002
  460   1HB   TYR  59          2HB       TYR  59  -2.064  -0.842  -0.134
  461   2HB   TYR  59          1HB       TYR  59  -3.030  -0.633  -1.616
  462    HD1  TYR  59           HD2      TYR  59  -3.359   1.951  -2.225
  463    HD2  TYR  59           HD1      TYR  59  -0.116   0.396   0.020
  464    HE1  TYR  59           HE2      TYR  59  -2.035   3.971  -2.681
  465    HE2  TYR  59           HE1      TYR  59   1.157   2.383  -0.411
  466    HH   TYR  59           HH       TYR  59   1.237   4.280  -1.671
  467    H    CYS  60           H        CYS  60  -5.078  -1.166   1.604
  468    HA   CYS  60           HA       CYS  60  -6.802  -2.380  -0.267
  469   1HB   CYS  60          2HB       CYS  60  -6.215  -2.886   2.229
  470   2HB   CYS  60          1HB       CYS  60  -7.663  -1.970   2.555
  471    H    ALA  61           H        ALA  61  -9.310  -2.033  -0.228
  472    HA   ALA  61           HA       ALA  61  -9.862   0.817  -0.696
  473   1HB   ALA  61          1HB       ALA  61 -11.760  -1.594  -0.819
  474   2HB   ALA  61          3HB       ALA  61 -12.131   0.025  -1.369
  475   3HB   ALA  61          2HB       ALA  61 -10.898  -0.917  -2.188
  476    H    THR  62           H        THR  62  -9.154   0.995   1.629
  477    HA   THR  62           HA       THR  62 -11.462   0.959   3.472
  478    HB   THR  62           HB       THR  62  -9.790  -0.627   4.150
  479    HG1  THR  62           HG1      THR  62  -8.729   1.077   5.914
  480   1HG2  THR  62          1HG2      THR  62  -7.676   1.529   3.878
  481   2HG2  THR  62          3HG2      THR  62  -7.381  -0.077   4.530
  482   3HG2  THR  62          2HG2      THR  62  -7.815   0.134   2.859
  483    HA   PRO  63           HA       PRO  63 -10.953   5.323   3.286
  484   1HB   PRO  63          2HB       PRO  63 -11.986   6.186   5.633
  485   2HB   PRO  63          1HB       PRO  63 -12.996   5.385   4.424
  486   1HG   PRO  63          2HG       PRO  63 -11.578   4.111   6.837
  487   2HG   PRO  63          1HG       PRO  63 -13.291   4.010   6.421
  488   1HD   PRO  63          2HD       PRO  63 -11.588   2.018   5.660
  489   2HD   PRO  63          1HD       PRO  63 -12.873   2.549   4.550
  490    H    ALA  64           H        ALA  64  -8.822   3.649   4.575
  491    HA   ALA  64           HA       ALA  64  -7.347   5.092   6.533
  492   1HB   ALA  64          3HB       ALA  64  -7.138   2.592   6.072
  493   2HB   ALA  64          2HB       ALA  64  -6.463   2.985   4.500
  494   3HB   ALA  64          1HB       ALA  64  -5.572   3.374   5.948
  495    H    LYS  65           H        LYS  65  -8.074   6.561   3.994
  496    HA   LYS  65           HA       LYS  65  -5.559   7.160   2.754
  497   1HB   LYS  65          2HB       LYS  65  -8.179   7.024   2.035
  498   2HB   LYS  65          1HB       LYS  65  -8.087   8.717   2.453
  499   1HG   LYS  65          2HG       LYS  65  -6.001   8.698   0.853
  500   2HG   LYS  65          1HG       LYS  65  -6.588   7.098   0.380
  501   1HD   LYS  65          2HD       LYS  65  -7.698   8.544  -1.178
  502   2HD   LYS  65          1HD       LYS  65  -8.909   8.229   0.043
  503   1HE   LYS  65          2HE       LYS  65  -8.987  10.551   0.049
  504   2HE   LYS  65          1HE       LYS  65  -7.763  10.300   1.283
  505   1HZ   LYS  65          3HZ       LYS  65  -6.454  10.192  -1.198
  506   2HZ   LYS  65          2HZ       LYS  65  -7.392  11.624  -1.171
  507   3HZ   LYS  65          1HZ       LYS  65  -6.228  11.302   0.024
  508    H    SER  66           H        SER  66  -5.177   7.625   5.375
  509    HA   SER  66           HA       SER  66  -5.866  10.232   6.312
  510   1HB   SER  66          2HB       SER  66  -3.939   9.840   7.949
  511   2HB   SER  66          1HB       SER  66  -5.016   8.439   7.851
  512    HG   SER  66           HG       SER  66  -2.441   8.666   7.154
  513    H    GLU  67           HN       GLU  67  -4.148  11.813   6.973
  514    HA   GLU  67           HA       GLU  67  -2.244  12.476   4.826
  515   1HB   GLU  67          2HB       GLU  67  -4.484  13.717   4.655
  516   2HB   GLU  67          1HB       GLU  67  -4.238  14.288   6.294
  517   1HG   GLU  67          2HG       GLU  67  -2.536  15.796   5.661
  518   2HG   GLU  67          1HG       GLU  67  -2.184  14.929   4.166
   
  Start of MODEL           7
 Raw file had  518 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1   7.900 -13.058  15.342
    2   2H    ALA   1          2H        ALA   1   8.163 -12.328  16.853
    3   3H    ALA   1          1H        ALA   1   6.579 -12.494  16.251
    4    HA   ALA   1           HA       ALA   1   6.711 -10.561  15.180
    5   1HB   ALA   1          2HB       ALA   1   8.340  -9.871  17.032
    6   2HB   ALA   1          1HB       ALA   1   9.667 -10.508  16.067
    7   3HB   ALA   1          3HB       ALA   1   8.753  -9.124  15.501
    8    OH   TYR   2           OH       TYR   2   2.371 -10.528  12.238
    9    H    TYR   2           H        TYR   2   8.086  -9.464  13.262
   10    HA   TYR   2           HA       TYR   2   9.804 -11.161  11.734
   11   1HB   TYR   2          2HB       TYR   2   7.952 -11.281   9.779
   12   2HB   TYR   2          1HB       TYR   2   8.019 -12.514  11.014
   13    HD1  TYR   2           HD2      TYR   2   6.536  -9.022  11.371
   14    HD2  TYR   2           HD1      TYR   2   5.812 -13.220  11.135
   15    HE1  TYR   2           HE2      TYR   2   4.204  -8.657  11.962
   16    HE2  TYR   2           HE1      TYR   2   3.468 -12.830  11.737
   17    HH   TYR   2           HH       TYR   2   1.934 -10.050  11.529
   18    NH1  ARG   3           NH2      ARG   3  12.491  -5.258  13.080
   19    NH2  ARG   3           NH1      ARG   3  14.708  -4.837  12.684
   20    H    ARG   3           H        ARG   3  10.092 -10.187   9.495
   21    HA   ARG   3           HA       ARG   3   9.552  -7.244   9.490
   22   1HB   ARG   3          2HB       ARG   3  12.159  -8.655   8.743
   23   2HB   ARG   3          1HB       ARG   3  11.844  -6.943   8.560
   24   1HG   ARG   3          2HG       ARG   3  11.334  -6.857  11.073
   25   2HG   ARG   3          1HG       ARG   3  11.918  -8.509  11.194
   26   1HD   ARG   3          2HD       ARG   3  14.153  -7.815  10.338
   27   2HD   ARG   3          1HD       ARG   3  13.580  -6.163  10.152
   28    HE   ARG   3           HE       ARG   3  14.123  -7.541  12.750
   29   1HH1  ARG   3          1HH2      ARG   3  11.734  -5.904  13.005
   30   2HH1  ARG   3          2HH2      ARG   3  12.317  -4.357  13.479
   31   1HH2  ARG   3          2HH1      ARG   3  15.583  -5.183  12.344
   32   2HH2  ARG   3          1HH1      ARG   3  14.665  -3.902  13.034
   33    HA   PRO   4           HA       PRO   4   8.211  -9.307   5.535
   34   1HB   PRO   4          2HB       PRO   4   5.636  -8.580   5.543
   35   2HB   PRO   4          1HB       PRO   4   6.160  -9.912   6.581
   36   1HG   PRO   4          2HG       PRO   4   5.983  -6.944   7.330
   37   2HG   PRO   4          1HG       PRO   4   5.141  -8.276   8.141
   38   1HD   PRO   4          2HD       PRO   4   7.486  -7.364   9.109
   39   2HD   PRO   4          1HD       PRO   4   7.223  -9.124   9.046
   40    H    SER   5           H        SER   5   9.784  -7.666   5.154
   41    HA   SER   5           HA       SER   5   8.654  -5.122   4.106
   42   1HB   SER   5          2HB       SER   5  11.482  -5.795   5.001
   43   2HB   SER   5          1HB       SER   5  10.897  -4.188   4.498
   44    HG   SER   5           HG       SER   5   9.130  -5.124   6.180
   45    H    GLU   6           H        GLU   6  11.587  -6.983   3.251
   46    HA   GLU   6           HA       GLU   6  12.602  -7.136   1.148
   47   1HB   GLU   6          2HB       GLU   6  10.845  -8.513  -0.395
   48   2HB   GLU   6          1HB       GLU   6  11.485  -9.197   1.068
   49   1HG   GLU   6          2HG       GLU   6   8.791  -7.782   0.977
   50   2HG   GLU   6          1HG       GLU   6   8.992  -9.473   0.639
   51    H    THR   7           H        THR   7  11.196  -7.150  -1.439
   52    HA   THR   7           HA       THR   7  10.116  -4.469  -1.923
   53    HB   THR   7           HB       THR   7  11.893  -3.682  -3.414
   54    HG1  THR   7           HG1      THR   7  12.401  -5.732  -4.239
   55   1HG2  THR   7          2HG2      THR   7  12.549  -3.520  -0.955
   56   2HG2  THR   7          1HG2      THR   7  13.366  -5.071  -1.120
   57   3HG2  THR   7          3HG2      THR   7  13.919  -3.682  -2.046
   58    H    LEU   8           H        LEU   8   9.104  -6.886  -2.192
   59    HA   LEU   8           HA       LEU   8   9.273  -8.141  -4.815
   60   1HB   LEU   8          2HB       LEU   8   6.791  -8.891  -4.049
   61   2HB   LEU   8          1HB       LEU   8   8.235  -9.640  -3.443
   62    HG   LEU   8           HG       LEU   8   8.159  -8.348  -1.361
   63   1HD1  LEU   8          2HD1      LEU   8   7.295  -6.125  -2.279
   64   2HD1  LEU   8          1HD1      LEU   8   5.738  -6.854  -2.499
   65   3HD1  LEU   8          3HD1      LEU   8   6.413  -6.662  -0.885
   66   1HD2  LEU   8          2HD2      LEU   8   5.395  -9.358  -2.107
   67   2HD2  LEU   8          1HD2      LEU   8   6.716 -10.308  -1.457
   68   3HD2  LEU   8          3HD2      LEU   8   5.987  -9.053  -0.472
   69    H    CYS   9           H        CYS   9   8.725  -7.063  -6.781
   70    HA   CYS   9           HA       CYS   9   6.049  -5.921  -6.831
   71   1HB   CYS   9          2HB       CYS   9   6.645  -3.655  -7.183
   72   2HB   CYS   9          1HB       CYS   9   7.701  -4.194  -5.926
   73    H    GLY  10           H        GLY  10   5.975  -4.312  -8.809
   74   1HA   GLY  10          2HA       GLY  10   5.911  -4.140 -11.198
   75   2HA   GLY  10          1HA       GLY  10   7.086  -5.458 -11.266
   76    H    GLY  11           H        GLY  11   3.676  -4.875 -10.431
   77   1HA   GLY  11          2HA       GLY  11   1.765  -6.153 -11.138
   78   2HA   GLY  11          1HA       GLY  11   2.862  -7.163 -12.098
   79    H    GLU  12           H        GLU  12   4.513  -7.452  -9.550
   80    HA   GLU  12           HA       GLU  12   3.059  -9.792  -8.495
   81   1HB   GLU  12          2HB       GLU  12   5.541  -9.818  -9.108
   82   2HB   GLU  12          1HB       GLU  12   5.853  -8.684  -7.812
   83   1HG   GLU  12          2HG       GLU  12   5.014 -10.345  -6.158
   84   2HG   GLU  12          1HG       GLU  12   4.700 -11.481  -7.466
   85    H    LEU  13           H        LEU  13   4.358  -6.717  -7.514
   86    HA   LEU  13           HA       LEU  13   3.798  -6.629  -4.773
   87   1HB   LEU  13          2HB       LEU  13   5.062  -4.859  -5.501
   88   2HB   LEU  13          1HB       LEU  13   4.187  -4.435  -6.917
   89    HG   LEU  13           HG       LEU  13   2.411  -3.600  -5.282
   90   1HD1  LEU  13          1HD1      LEU  13   4.700  -4.114  -3.313
   91   2HD1  LEU  13          3HD1      LEU  13   3.227  -3.249  -2.896
   92   3HD1  LEU  13          2HD1      LEU  13   3.178  -4.950  -3.308
   93   1HD2  LEU  13          3HD2      LEU  13   5.159  -2.363  -5.227
   94   2HD2  LEU  13          2HD2      LEU  13   3.833  -2.024  -6.333
   95   3HD2  LEU  13          1HD2      LEU  13   3.694  -1.600  -4.621
   96    H    VAL  14           H        VAL  14   1.550  -6.777  -7.296
   97    HA   VAL  14           HA       VAL  14  -0.694  -5.459  -6.031
   98    HB   VAL  14           HB       VAL  14  -2.027  -6.508  -7.838
   99   1HG1  VAL  14          2HG1      VAL  14   0.706  -5.916  -8.980
  100   2HG1  VAL  14          1HG1      VAL  14  -0.782  -6.062  -9.898
  101   3HG1  VAL  14          3HG1      VAL  14  -0.610  -4.778  -8.723
  102   1HG2  VAL  14          2HG2      VAL  14   0.239  -8.498  -8.183
  103   2HG2  VAL  14          1HG2      VAL  14  -1.372  -8.850  -7.612
  104   3HG2  VAL  14          3HG2      VAL  14  -1.121  -8.362  -9.270
  105    H    ASP  15           H        ASP  15   0.601  -8.731  -6.098
  106    HA   ASP  15           HA       ASP  15  -1.538  -9.977  -4.588
  107   1HB   ASP  15          2HB       ASP  15   0.098 -11.292  -5.965
  108   2HB   ASP  15          1HB       ASP  15   1.378 -10.850  -4.847
  109    H    THR  16           H        THR  16   1.570  -8.534  -3.716
  110    HA   THR  16           HA       THR  16   1.809  -9.140  -1.049
  111    HB   THR  16           HB       THR  16   2.159  -6.273  -2.120
  112    HG1  THR  16           HG1      THR  16   4.167  -7.940  -2.672
  113   1HG2  THR  16          1HG2      THR  16   4.013  -8.118  -0.502
  114   2HG2  THR  16          3HG2      THR  16   4.262  -6.405  -0.842
  115   3HG2  THR  16          2HG2      THR  16   2.988  -6.899   0.239
  116    H    LEU  17           H        LEU  17   0.070  -6.364  -2.423
  117    HA   LEU  17           HA       LEU  17  -1.256  -5.439  -0.223
  118   1HB   LEU  17          2HB       LEU  17  -0.913  -5.102  -2.827
  119   2HB   LEU  17          1HB       LEU  17  -2.570  -5.589  -2.896
  120    HG   LEU  17           HG       LEU  17  -3.264  -3.598  -1.773
  121   1HD1  LEU  17          2HD1      LEU  17  -0.352  -3.130  -1.239
  122   2HD1  LEU  17          1HD1      LEU  17  -1.681  -2.031  -0.972
  123   3HD1  LEU  17          3HD1      LEU  17  -1.578  -3.471   0.005
  124   1HD2  LEU  17          1HD2      LEU  17  -2.260  -3.420  -4.125
  125   2HD2  LEU  17          3HD2      LEU  17  -2.085  -1.917  -3.188
  126   3HD2  LEU  17          2HD2      LEU  17  -0.725  -3.036  -3.382
  127    H    GLN  18           H        GLN  18  -2.224  -8.040  -2.463
  128    HA   GLN  18           HA       GLN  18  -4.772  -8.469  -1.328
  129   1HB   GLN  18          2HB       GLN  18  -3.839  -9.840  -3.344
  130   2HB   GLN  18          1HB       GLN  18  -2.767 -10.690  -2.246
  131   1HG   GLN  18          2HG       GLN  18  -4.654 -11.646  -1.030
  132   2HG   GLN  18          1HG       GLN  18  -5.785 -10.785  -2.053
  133   1HE2  GLN  18          2HE2      GLN  18  -3.791 -13.542  -4.262
  134   2HE2  GLN  18          1HE2      GLN  18  -2.857 -12.361  -3.523
  135    H    PHE  19           H        PHE  19  -1.607  -9.443  -0.065
  136    HA   PHE  19           HA       PHE  19  -3.020 -10.735   2.201
  137   1HB   PHE  19          2HB       PHE  19  -0.979 -11.649   2.835
  138   2HB   PHE  19          1HB       PHE  19  -0.567 -11.320   1.173
  139    HD1  PHE  19           HD2      PHE  19  -0.456  -9.694   4.556
  140    HD2  PHE  19           HD1      PHE  19   1.413 -10.117   0.757
  141    HE1  PHE  19           HE2      PHE  19   1.388  -8.312   5.339
  142    HE2  PHE  19           HE1      PHE  19   3.274  -8.727   1.548
  143    HZ   PHE  19           HZ       PHE  19   3.312  -7.855   3.791
  144    H    VAL  20           H        VAL  20  -1.163  -7.532   1.742
  145    HA   VAL  20           HA       VAL  20  -1.543  -7.003   4.512
  146    HB   VAL  20           HB       VAL  20  -1.285  -4.728   2.541
  147   1HG1  VAL  20          3HG1      VAL  20  -1.164  -4.637   4.925
  148   2HG1  VAL  20          2HG1      VAL  20   0.219  -5.726   4.902
  149   3HG1  VAL  20          1HG1      VAL  20   0.359  -4.116   4.191
  150   1HG2  VAL  20          3HG2      VAL  20   0.844  -6.886   2.791
  151   2HG2  VAL  20          2HG2      VAL  20   0.111  -6.322   1.319
  152   3HG2  VAL  20          1HG2      VAL  20   1.199  -5.300   2.190
  153    H    CYS  21           H        CYS  21  -3.122  -5.812   1.606
  154    HA   CYS  21           HA       CYS  21  -5.152  -4.282   2.841
  155   1HB   CYS  21          2HB       CYS  21  -4.745  -3.831   0.738
  156   2HB   CYS  21          1HB       CYS  21  -4.817  -5.413   0.178
  157    H    GLY  22           H        GLY  22  -5.260  -7.605   1.538
  158   1HA   GLY  22          2HA       GLY  22  -6.407  -9.470   2.432
  159   2HA   GLY  22          1HA       GLY  22  -7.159  -8.417   3.605
  160    H    ASP  23           H        ASP  23  -8.853  -9.681   3.324
  161    HA   ASP  23           HA       ASP  23 -10.489 -10.256   1.156
  162   1HB   ASP  23          2HB       ASP  23 -11.412  -9.785   4.026
  163   2HB   ASP  23          1HB       ASP  23 -12.166 -10.822   2.842
  164    NH1  ARG  24           NH1      ARG  24 -13.450  -4.459   3.804
  165    NH2  ARG  24           NH2      ARG  24 -12.558  -5.059   5.835
  166    H    ARG  24           H        ARG  24 -10.134  -7.823   0.264
  167    HA   ARG  24           HA       ARG  24 -12.730  -6.690   0.076
  168   1HB   ARG  24          2HB       ARG  24 -12.243  -4.519   1.181
  169   2HB   ARG  24          1HB       ARG  24 -12.378  -5.862   2.314
  170   1HG   ARG  24          2HG       ARG  24  -9.632  -5.759   1.715
  171   2HG   ARG  24          1HG       ARG  24 -10.102  -4.083   1.699
  172   1HD   ARG  24          2HD       ARG  24 -10.520  -6.074   3.996
  173   2HD   ARG  24          1HD       ARG  24  -9.313  -4.806   3.939
  174    HE   ARG  24           HE       ARG  24 -11.055  -3.142   4.317
  175   1HH1  ARG  24          2HH1      ARG  24 -13.253  -4.082   2.901
  176   2HH1  ARG  24          1HH1      ARG  24 -14.379  -4.754   4.023
  177   1HH2  ARG  24          1HH2      ARG  24 -11.742  -5.089   6.413
  178   2HH2  ARG  24          2HH2      ARG  24 -13.412  -5.429   6.204
  179    H    GLY  25           H        GLY  25  -9.378  -6.778  -0.588
  180   1HA   GLY  25          2HA       GLY  25  -8.366  -6.198  -2.622
  181   2HA   GLY  25          1HA       GLY  25  -9.910  -5.491  -3.101
  182    H    PHE  26           H        PHE  26  -7.443  -4.239  -3.565
  183    HA   PHE  26           HA       PHE  26  -7.277  -1.919  -1.676
  184   1HB   PHE  26          2HB       PHE  26  -4.981  -1.724  -3.033
  185   2HB   PHE  26          1HB       PHE  26  -5.172  -2.574  -1.524
  186    HD1  PHE  26           HD1      PHE  26  -5.843  -4.918  -1.563
  187    HD2  PHE  26           HD2      PHE  26  -4.397  -2.943  -5.014
  188    HE1  PHE  26           HE1      PHE  26  -5.380  -7.011  -2.468
  189    HE2  PHE  26           HE2      PHE  26  -3.885  -5.053  -6.010
  190    HZ   PHE  26           HZ       PHE  26  -4.342  -7.199  -4.786
  191    OH   TYR  27           OH       TYR  27 -12.030   2.438  -0.857
  192    H    TYR  27           H        TYR  27  -6.211  -0.051  -2.870
  193    HA   TYR  27           HA       TYR  27  -7.847   0.406  -5.297
  194   1HB   TYR  27          2HB       TYR  27  -6.434   2.461  -3.462
  195   2HB   TYR  27          1HB       TYR  27  -7.392   2.910  -4.856
  196    HD1  TYR  27           HD2      TYR  27  -9.825   1.260  -4.612
  197    HD2  TYR  27           HD1      TYR  27  -7.621   3.243  -1.546
  198    HE1  TYR  27           HE2      TYR  27 -11.841   1.405  -3.224
  199    HE2  TYR  27           HE1      TYR  27  -9.641   3.365  -0.182
  200    HH   TYR  27           HH       TYR  27 -11.805   2.305   0.085
  201    H    PHE  28           H        PHE  28  -4.479   0.656  -4.393
  202    HA   PHE  28           HA       PHE  28  -2.606   0.624  -5.824
  203   1HB   PHE  28          2HB       PHE  28  -4.293  -0.977  -7.156
  204   2HB   PHE  28          1HB       PHE  28  -4.376   0.385  -8.255
  205    HD1  PHE  28           HD2      PHE  28  -2.335   1.102  -9.519
  206    HD2  PHE  28           HD1      PHE  28  -2.266  -2.254  -6.901
  207    HE1  PHE  28           HE2      PHE  28  -0.220   0.379 -10.512
  208    HE2  PHE  28           HE1      PHE  28  -0.144  -2.977  -7.891
  209    HZ   PHE  28           HZ       PHE  28   0.881  -1.671  -9.705
  210    H    SER  29           H        SER  29  -4.611   2.902  -5.398
  211    HA   SER  29           HA       SER  29  -3.000   4.963  -6.638
  212   1HB   SER  29          2HB       SER  29  -5.528   4.146  -8.068
  213   2HB   SER  29          1HB       SER  29  -5.211   5.885  -7.950
  214    HG   SER  29           HG       SER  29  -3.400   3.890  -8.823
  215    NH1  ARG  30           NH2      ARG  30  -1.944   5.867   2.862
  216    NH2  ARG  30           NH1      ARG  30  -1.099   7.842   2.052
  217    H    ARG  30           H        ARG  30  -3.000   5.487  -4.407
  218    HA   ARG  30           HA       ARG  30  -5.357   6.368  -3.036
  219   1HB   ARG  30          2HB       ARG  30  -2.392   7.133  -2.650
  220   2HB   ARG  30          1HB       ARG  30  -3.648   7.799  -1.632
  221   1HG   ARG  30          2HG       ARG  30  -4.292   5.540  -0.824
  222   2HG   ARG  30          1HG       ARG  30  -3.200   4.783  -1.937
  223   1HD   ARG  30          2HD       ARG  30  -2.067   4.743   0.216
  224   2HD   ARG  30          1HD       ARG  30  -1.278   6.042  -0.665
  225    HE   ARG  30           HE       ARG  30  -3.399   7.241   0.769
  226   1HH1  ARG  30          1HH2      ARG  30  -2.562   5.071   2.782
  227   2HH1  ARG  30          2HH2      ARG  30  -1.394   5.893   3.690
  228   1HH2  ARG  30          2HH1      ARG  30  -1.096   8.488   1.289
  229   2HH2  ARG  30          1HH1      ARG  30  -0.514   8.036   2.843
  230    HA   PRO  31           HA       PRO  31  -5.883   9.950  -5.563
  231   1HB   PRO  31          2HB       PRO  31  -8.124  10.996  -4.459
  232   2HB   PRO  31          1HB       PRO  31  -8.120   9.321  -4.966
  233   1HG   PRO  31          2HG       PRO  31  -7.468  10.326  -2.132
  234   2HG   PRO  31          1HG       PRO  31  -8.753   9.209  -2.603
  235   1HD   PRO  31          2HD       PRO  31  -6.276   8.274  -1.834
  236   2HD   PRO  31          1HD       PRO  31  -7.226   7.439  -3.082
  237    H    ALA  32           H        ALA  32  -7.020  12.181  -3.835
  238    HA   ALA  32           HA       ALA  32  -4.458  13.589  -3.428
  239   1HB   ALA  32          1HB       ALA  32  -6.441  14.769  -4.516
  240   2HB   ALA  32          3HB       ALA  32  -7.358  14.545  -3.036
  241   3HB   ALA  32          2HB       ALA  32  -5.947  15.581  -3.047
  242    H    SER  33           H        SER  33  -4.634  15.081  -1.483
  243    HA   SER  33           HA       SER  33  -5.430  13.574   0.949
  244   1HB   SER  33          2HB       SER  33  -2.578  14.624   0.399
  245   2HB   SER  33          1HB       SER  33  -3.101  13.813   1.881
  246    HG   SER  33           HG       SER  33  -3.929  12.318  -0.163
  247    NH1  ARG  34           NH1      ARG  34  -4.243  13.337   6.070
  248    NH2  ARG  34           NH2      ARG  34  -6.036  12.836   7.427
  249    H    ARG  34           H        ARG  34  -3.772  15.665   2.361
  250    HA   ARG  34           HA       ARG  34  -5.848  17.788   2.160
  251   1HB   ARG  34          2HB       ARG  34  -3.666  17.336   4.259
  252   2HB   ARG  34          1HB       ARG  34  -5.068  18.385   4.410
  253   1HG   ARG  34          2HG       ARG  34  -6.619  16.485   4.184
  254   2HG   ARG  34          1HG       ARG  34  -5.338  15.357   3.861
  255   1HD   ARG  34          2HD       ARG  34  -4.483  15.943   6.280
  256   2HD   ARG  34          1HD       ARG  34  -6.096  16.620   6.473
  257    HE   ARG  34           HE       ARG  34  -7.043  14.381   5.770
  258   1HH1  ARG  34          2HH1      ARG  34  -3.897  13.943   5.359
  259   2HH1  ARG  34          1HH1      ARG  34  -3.674  12.591   6.413
  260   1HH2  ARG  34          1HH2      ARG  34  -6.980  13.110   7.667
  261   2HH2  ARG  34          2HH2      ARG  34  -5.625  12.053   7.880
  262    H    VAL  35           H        VAL  35  -3.969  17.510   0.071
  263    HA   VAL  35           HA       VAL  35  -2.346  19.914   0.196
  264    HB   VAL  35           HB       VAL  35  -2.168  17.440  -1.615
  265   1HG1  VAL  35          3HG1      VAL  35  -0.865  19.482  -2.150
  266   2HG1  VAL  35          2HG1      VAL  35  -0.177  19.345  -0.539
  267   3HG1  VAL  35          1HG1      VAL  35   0.105  18.058  -1.734
  268   1HG2  VAL  35          2HG2      VAL  35  -0.751  17.822   1.089
  269   2HG2  VAL  35          1HG2      VAL  35  -1.993  16.636   0.785
  270   3HG2  VAL  35          3HG2      VAL  35  -0.456  16.504  -0.037
  271    H    SER  36           H        SER  36  -2.381  19.336  -2.788
  272    HA   SER  36           HA       SER  36  -5.140  20.014  -3.582
  273   1HB   SER  36          2HB       SER  36  -2.903  21.785  -4.444
  274   2HB   SER  36          1HB       SER  36  -4.666  21.968  -4.578
  275    HG   SER  36           HG       SER  36  -4.638  22.793  -2.561
  276    NH1  ARG  37           NH1      ARG  37   0.548  21.462  -4.967
  277    NH2  ARG  37           NH2      ARG  37   1.162  20.846  -7.088
  278    H    ARG  37           H        ARG  37  -4.117  17.909  -4.141
  279    HA   ARG  37           HA       ARG  37  -4.237  17.355  -6.856
  280   1HB   ARG  37          2HB       ARG  37  -1.896  16.757  -7.309
  281   2HB   ARG  37          1HB       ARG  37  -2.158  18.479  -7.070
  282   1HG   ARG  37          2HG       ARG  37  -1.507  17.772  -4.489
  283   2HG   ARG  37          1HG       ARG  37  -0.755  16.431  -5.315
  284   1HD   ARG  37          2HD       ARG  37   0.834  18.309  -4.974
  285   2HD   ARG  37          1HD       ARG  37   0.598  17.966  -6.687
  286    HE   ARG  37           HE       ARG  37  -1.372  19.886  -6.102
  287   1HH1  ARG  37          2HH1      ARG  37  -0.028  21.264  -4.175
  288   2HH1  ARG  37          1HH1      ARG  37   1.177  22.240  -4.929
  289   1HH2  ARG  37          1HH2      ARG  37   1.035  20.207  -7.846
  290   2HH2  ARG  37          2HH2      ARG  37   1.833  21.582  -7.186
  291    NH1  ARG  38           NH2      ARG  38  -6.004  14.177 -11.996
  292    NH2  ARG  38           NH1      ARG  38  -5.939  11.887 -12.235
  293    H    ARG  38           H        ARG  38  -3.363  15.060  -7.413
  294    HA   ARG  38           HA       ARG  38  -4.227  13.261  -5.295
  295   1HB   ARG  38          2HB       ARG  38  -2.825  12.424  -7.825
  296   2HB   ARG  38          1HB       ARG  38  -3.987  11.539  -6.888
  297   1HG   ARG  38          2HG       ARG  38  -5.860  12.772  -7.563
  298   2HG   ARG  38          1HG       ARG  38  -4.930  14.131  -8.174
  299   1HD   ARG  38          2HD       ARG  38  -4.015  12.729  -9.973
  300   2HD   ARG  38          1HD       ARG  38  -4.891  11.329  -9.348
  301    HE   ARG  38           HE       ARG  38  -6.987  12.953  -9.786
  302   1HH1  ARG  38          1HH2      ARG  38  -6.065  14.945 -11.357
  303   2HH1  ARG  38          2HH2      ARG  38  -5.933  14.373 -12.975
  304   1HH2  ARG  38          2HH1      ARG  38  -5.973  10.998 -11.775
  305   2HH2  ARG  38          1HH1      ARG  38  -5.845  11.914 -13.226
  306    H    SER  39           H        SER  39  -2.594  11.273  -5.003
  307    HA   SER  39           HA       SER  39   0.217  12.251  -4.912
  308   1HB   SER  39          2HB       SER  39  -1.207  12.561  -2.631
  309   2HB   SER  39          1HB       SER  39  -0.956  10.814  -2.487
  310    HG   SER  39           HG       SER  39   1.206  11.119  -2.465
  311    NH1  ARG  40           NH1      ARG  40   3.802  11.718  -9.549
  312    NH2  ARG  40           NH2      ARG  40   3.890  10.369 -11.394
  313    H    ARG  40           H        ARG  40   1.458  10.563  -5.810
  314    HA   ARG  40           HA       ARG  40   0.216   8.160  -6.612
  315   1HB   ARG  40          2HB       ARG  40   2.649   9.622  -7.034
  316   2HB   ARG  40          1HB       ARG  40   3.180   8.132  -6.309
  317   1HG   ARG  40          2HG       ARG  40   2.380   6.845  -8.009
  318   2HG   ARG  40          1HG       ARG  40   1.132   7.996  -8.487
  319   1HD   ARG  40          2HD       ARG  40   4.106   8.554  -8.847
  320   2HD   ARG  40          1HD       ARG  40   3.153   7.806 -10.110
  321    HE   ARG  40           HE       ARG  40   1.681  10.071  -9.483
  322   1HH1  ARG  40          2HH1      ARG  40   3.438  11.848  -8.628
  323   2HH1  ARG  40          1HH1      ARG  40   4.423  12.406  -9.925
  324   1HH2  ARG  40          1HH2      ARG  40   3.578   9.535 -11.849
  325   2HH2  ARG  40          2HH2      ARG  40   4.535  10.957 -11.874
  326    H    GLY  41           H        GLY  41   1.303   5.992  -5.943
  327   1HA   GLY  41          2HA       GLY  41   1.934   5.937  -3.083
  328   2HA   GLY  41          1HA       GLY  41   0.352   5.298  -3.464
  329    H    ILE  42           H        ILE  42   0.264   3.160  -4.624
  330    HA   ILE  42           HA       ILE  42   2.130   1.306  -3.860
  331    HB   ILE  42           HB       ILE  42   0.077   1.520  -6.087
  332   1HG1  ILE  42          2HG1      ILE  42  -0.742   1.595  -3.741
  333   2HG1  ILE  42          1HG1      ILE  42  -1.269   0.109  -4.500
  334   1HG2  ILE  42          2HG2      ILE  42   1.568  -0.927  -5.216
  335   2HG2  ILE  42          1HG2      ILE  42   0.116  -0.865  -6.220
  336   3HG2  ILE  42          3HG2      ILE  42   1.601  -0.125  -6.800
  337   1HD1  ILE  42          2HD1      ILE  42   0.612  -1.127  -3.428
  338   2HD1  ILE  42          1HD1      ILE  42   1.080   0.336  -2.569
  339   3HD1  ILE  42          3HD1      ILE  42  -0.461  -0.407  -2.257
  340    H    VAL  43           H        VAL  43   3.314   0.010  -5.490
  341    HA   VAL  43           HA       VAL  43   5.218  -0.331  -6.623
  342    HB   VAL  43           HB       VAL  43   5.382   0.985  -8.851
  343   1HG1  VAL  43          1HG1      VAL  43   3.023  -0.850  -8.270
  344   2HG1  VAL  43          3HG1      VAL  43   3.651  -0.504  -9.877
  345   3HG1  VAL  43          2HG1      VAL  43   4.654  -1.341  -8.708
  346   1HG2  VAL  43          2HG2      VAL  43   2.527   1.687  -8.145
  347   2HG2  VAL  43          1HG2      VAL  43   3.855   2.824  -8.381
  348   3HG2  VAL  43          3HG2      VAL  43   3.266   1.871  -9.725
  349    H    GLU  44           H        GLU  44   4.865   3.307  -6.887
  350    HA   GLU  44           HA       GLU  44   7.691   3.603  -6.804
  351   1HB   GLU  44          2HB       GLU  44   5.358   5.412  -6.088
  352   2HB   GLU  44          1HB       GLU  44   6.984   5.945  -5.700
  353   1HG   GLU  44          2HG       GLU  44   7.722   5.699  -7.982
  354   2HG   GLU  44          1HG       GLU  44   6.288   4.821  -8.436
  355    H    GLU  45           H        GLU  45   5.285   3.082  -4.242
  356    HA   GLU  45           HA       GLU  45   7.296   3.521  -2.183
  357   1HB   GLU  45          2HB       GLU  45   5.561   2.992  -0.611
  358   2HB   GLU  45          1HB       GLU  45   4.691   3.703  -1.958
  359   1HG   GLU  45          2HG       GLU  45   4.455   1.383  -2.868
  360   2HG   GLU  45          1HG       GLU  45   5.037   0.769  -1.311
  361    H    CYS  46           H        CYS  46   5.717   0.416  -3.308
  362    HA   CYS  46           HA       CYS  46   7.943  -0.977  -1.836
  363   1HB   CYS  46          2HB       CYS  46   5.526  -1.705  -1.655
  364   2HB   CYS  46          1HB       CYS  46   5.643  -2.228  -3.304
  365    H    CYS  47           H        CYS  47   6.940  -0.375  -5.081
  366    HA   CYS  47           HA       CYS  47   8.769  -2.381  -6.097
  367   1HB   CYS  47          2HB       CYS  47   6.703  -1.287  -7.343
  368   2HB   CYS  47          1HB       CYS  47   7.836  -0.045  -7.817
  369    H    PHE  48           H        PHE  48   8.803   1.377  -5.679
  370    HA   PHE  48           HA       PHE  48  11.605   1.176  -6.389
  371   1HB   PHE  48          2HB       PHE  48   9.446   3.133  -6.002
  372   2HB   PHE  48          1HB       PHE  48  11.002   3.699  -5.659
  373    HD1  PHE  48           HD2      PHE  48   9.414   1.385  -8.139
  374    HD2  PHE  48           HD1      PHE  48  11.738   4.923  -7.671
  375    HE1  PHE  48           HE2      PHE  48   9.508   1.626 -10.562
  376    HE2  PHE  48           HE1      PHE  48  11.836   5.166 -10.108
  377    HZ   PHE  48           HZ       PHE  48  10.726   3.526 -11.565
  378    NH1  ARG  49           NH2      ARG  49  10.270   6.352  -2.963
  379    NH2  ARG  49           NH1      ARG  49  10.330   7.396  -0.910
  380    H    ARG  49           H        ARG  49   9.569   1.706  -3.293
  381    HA   ARG  49           HA       ARG  49  12.248   1.828  -1.925
  382   1HB   ARG  49          2HB       ARG  49   9.611   1.882  -0.368
  383   2HB   ARG  49          1HB       ARG  49  11.158   2.579   0.026
  384   1HG   ARG  49          2HG       ARG  49  11.062   4.227  -1.635
  385   2HG   ARG  49          1HG       ARG  49   9.633   3.531  -2.375
  386   1HD   ARG  49          2HD       ARG  49   8.311   4.000  -0.295
  387   2HD   ARG  49          1HD       ARG  49   9.715   4.818   0.379
  388    HE   ARG  49           HE       ARG  49   7.935   6.027  -1.513
  389   1HH1  ARG  49          1HH2      ARG  49   9.818   5.643  -3.514
  390   2HH1  ARG  49          2HH2      ARG  49  11.015   6.882  -3.369
  391   1HH2  ARG  49          2HH1      ARG  49   9.934   7.444   0.009
  392   2HH2  ARG  49          1HH1      ARG  49  11.077   8.012  -1.156
  393    H    SER  50           H        SER  50  11.318   0.655   0.518
  394    HA   SER  50           HA       SER  50  11.234  -2.232  -0.164
  395   1HB   SER  50          2HB       SER  50  12.634  -2.408   2.017
  396   2HB   SER  50          1HB       SER  50  13.483  -1.643   0.657
  397    HG   SER  50           HG       SER  50  12.073  -0.494   2.795
  398    H    CYS  51           H        CYS  51   9.025  -2.170   0.014
  399    HA   CYS  51           HA       CYS  51   7.011  -1.464   1.296
  400   1HB   CYS  51          2HB       CYS  51   8.030  -4.147   0.882
  401   2HB   CYS  51          1HB       CYS  51   6.859  -4.143   2.144
  402    H    ASP  52           H        ASP  52   7.034  -0.198   3.179
  403    HA   ASP  52           HA       ASP  52   8.185  -1.186   5.690
  404   1HB   ASP  52          2HB       ASP  52   7.992   1.274   5.079
  405   2HB   ASP  52          1HB       ASP  52   6.244   1.121   5.199
  406    H    LEU  53           H        LEU  53   5.706  -2.267   4.066
  407    HA   LEU  53           HA       LEU  53   3.936  -3.727   4.450
  408   1HB   LEU  53          2HB       LEU  53   5.492  -4.422   6.436
  409   2HB   LEU  53          1HB       LEU  53   4.449  -3.479   7.455
  410    HG   LEU  53           HG       LEU  53   3.674  -5.673   7.651
  411   1HD1  LEU  53          2HD1      LEU  53   1.738  -4.168   7.347
  412   2HD1  LEU  53          1HD1      LEU  53   1.782  -4.467   5.619
  413   3HD1  LEU  53          3HD1      LEU  53   1.390  -5.762   6.720
  414   1HD2  LEU  53          1HD2      LEU  53   4.738  -6.637   5.553
  415   2HD2  LEU  53          3HD2      LEU  53   3.065  -7.112   5.727
  416   3HD2  LEU  53          2HD2      LEU  53   3.509  -5.848   4.597
  417    H    ALA  54           H        ALA  54   3.881  -1.647   7.284
  418    HA   ALA  54           HA       ALA  54   1.217  -1.083   7.716
  419   1HB   ALA  54          2HB       ALA  54   3.046  -0.028   9.004
  420   2HB   ALA  54          1HB       ALA  54   3.411   1.031   7.656
  421   3HB   ALA  54          3HB       ALA  54   1.872   1.175   8.500
  422    H    LEU  55           H        LEU  55   3.238   0.453   5.327
  423    HA   LEU  55           HA       LEU  55   1.556   2.276   4.155
  424   1HB   LEU  55          2HB       LEU  55   4.106   0.831   3.738
  425   2HB   LEU  55          1HB       LEU  55   3.294   1.085   2.259
  426    HG   LEU  55           HG       LEU  55   3.771   3.269   4.322
  427   1HD1  LEU  55          2HD1      LEU  55   5.487   2.523   1.893
  428   2HD1  LEU  55          1HD1      LEU  55   5.747   3.947   2.890
  429   3HD1  LEU  55          3HD1      LEU  55   5.964   2.349   3.566
  430   1HD2  LEU  55          2HD2      LEU  55   3.227   3.363   1.292
  431   2HD2  LEU  55          1HD2      LEU  55   2.039   3.747   2.519
  432   3HD2  LEU  55          3HD2      LEU  55   3.442   4.779   2.311
  433    H    LEU  56           H        LEU  56   2.260  -1.001   2.990
  434    HA   LEU  56           HA       LEU  56   0.103  -1.183   1.057
  435   1HB   LEU  56          2HB       LEU  56   1.417  -3.287   2.697
  436   2HB   LEU  56          1HB       LEU  56   0.485  -3.587   1.243
  437    HG   LEU  56           HG       LEU  56   2.767  -3.745   0.508
  438   1HD1  LEU  56          3HD1      LEU  56   1.821  -0.926  -0.091
  439   2HD1  LEU  56          2HD1      LEU  56   3.063  -1.751  -0.985
  440   3HD1  LEU  56          1HD1      LEU  56   1.425  -2.362  -1.008
  441   1HD2  LEU  56          1HD2      LEU  56   3.894  -2.684   2.504
  442   2HD2  LEU  56          3HD2      LEU  56   4.552  -2.150   0.973
  443   3HD2  LEU  56          2HD2      LEU  56   3.513  -1.089   1.847
  444    H    GLU  57           H        GLU  57   0.102  -1.773   4.578
  445    HA   GLU  57           HA       GLU  57  -2.369  -3.102   4.584
  446   1HB   GLU  57          2HB       GLU  57  -1.623  -0.941   6.649
  447   2HB   GLU  57          1HB       GLU  57  -2.699  -2.288   6.888
  448   1HG   GLU  57          2HG       GLU  57  -0.771  -3.856   6.620
  449   2HG   GLU  57          1HG       GLU  57   0.292  -2.487   6.468
  450    H    THR  58           H        THR  58  -1.606   0.365   4.834
  451    HA   THR  58           HA       THR  58  -4.321   1.305   4.663
  452    HB   THR  58           HB       THR  58  -2.759   2.946   5.604
  453    HG1  THR  58           HG1      THR  58  -4.112   3.509   3.401
  454   1HG2  THR  58          3HG2      THR  58  -1.137   2.839   3.045
  455   2HG2  THR  58          2HG2      THR  58  -0.823   3.902   4.405
  456   3HG2  THR  58          1HG2      THR  58  -0.638   2.182   4.600
  457    OH   TYR  59           OH       TYR  59   0.916   4.797  -1.279
  458    H    TYR  59           H        TYR  59  -2.460  -0.088   2.131
  459    HA   TYR  59           HA       TYR  59  -3.757   1.695   0.102
  460   1HB   TYR  59          2HB       TYR  59  -1.786  -0.484   0.070
  461   2HB   TYR  59          1HB       TYR  59  -2.683  -0.192  -1.437
  462    HD1  TYR  59           HD2      TYR  59  -2.669   2.208  -2.370
  463    HD2  TYR  59           HD1      TYR  59  -0.177   1.009   0.826
  464    HE1  TYR  59           HE2      TYR  59  -1.259   4.199  -2.713
  465    HE2  TYR  59           HE1      TYR  59   1.208   2.976   0.504
  466    HH   TYR  59           HH       TYR  59   1.758   4.356  -1.504
  467    H    CYS  60           H        CYS  60  -4.943  -0.661   1.971
  468    HA   CYS  60           HA       CYS  60  -6.357  -2.310   0.198
  469   1HB   CYS  60          2HB       CYS  60  -6.079  -2.242   2.870
  470   2HB   CYS  60          1HB       CYS  60  -7.601  -1.402   2.762
  471    H    ALA  61           H        ALA  61  -8.895  -2.228   0.162
  472    HA   ALA  61           HA       ALA  61  -9.537   0.372  -1.064
  473   1HB   ALA  61          1HB       ALA  61 -11.152  -2.239  -1.019
  474   2HB   ALA  61          3HB       ALA  61 -11.607  -0.776  -1.888
  475   3HB   ALA  61          2HB       ALA  61 -10.154  -1.647  -2.321
  476    H    THR  62           H        THR  62 -11.819  -1.588   0.565
  477    HA   THR  62           HA       THR  62 -13.679  -1.072   1.803
  478    HB   THR  62           HB       THR  62 -12.535  -2.004   3.468
  479    HG1  THR  62           HG1      THR  62 -11.739   0.284   4.767
  480   1HG2  THR  62          1HG2      THR  62 -10.219  -0.105   3.038
  481   2HG2  THR  62          3HG2      THR  62 -10.177  -1.447   4.176
  482   3HG2  THR  62          2HG2      THR  62 -10.331  -1.755   2.458
  483    HA   PRO  63           HA       PRO  63 -15.226   3.003   2.006
  484   1HB   PRO  63          2HB       PRO  63 -16.923   3.047   4.110
  485   2HB   PRO  63          1HB       PRO  63 -17.227   2.032   2.689
  486   1HG   PRO  63          2HG       PRO  63 -15.865   1.229   5.325
  487   2HG   PRO  63          1HG       PRO  63 -17.227   0.427   4.535
  488   1HD   PRO  63          2HD       PRO  63 -14.691  -0.470   4.146
  489   2HD   PRO  63          1HD       PRO  63 -15.842  -0.461   2.788
  490    H    ALA  64           H        ALA  64 -12.749   2.553   3.442
  491    HA   ALA  64           HA       ALA  64 -12.583   4.256   5.770
  492   1HB   ALA  64          1HB       ALA  64 -10.490   2.982   3.919
  493   2HB   ALA  64          3HB       ALA  64 -10.113   3.708   5.470
  494   3HB   ALA  64          2HB       ALA  64 -11.127   2.278   5.388
  495    H    LYS  65           H        LYS  65 -13.840   5.757   3.778
  496    HA   LYS  65           HA       LYS  65 -12.035   7.467   2.385
  497   1HB   LYS  65          2HB       LYS  65 -14.330   6.593   1.762
  498   2HB   LYS  65          1HB       LYS  65 -15.007   7.598   3.037
  499   1HG   LYS  65          2HG       LYS  65 -14.092   9.564   1.992
  500   2HG   LYS  65          1HG       LYS  65 -13.429   8.562   0.693
  501   1HD   LYS  65          2HD       LYS  65 -16.404   8.555   1.415
  502   2HD   LYS  65          1HD       LYS  65 -15.812   9.758   0.308
  503   1HE   LYS  65          2HE       LYS  65 -15.457   6.732  -0.111
  504   2HE   LYS  65          1HE       LYS  65 -16.803   7.639  -0.773
  505   1HZ   LYS  65          2HZ       LYS  65 -14.454   9.022  -1.419
  506   2HZ   LYS  65          1HZ       LYS  65 -14.184   7.401  -1.812
  507   3HZ   LYS  65          3HZ       LYS  65 -15.520   8.225  -2.476
  508    H    SER  66           H        SER  66 -10.873   7.770   4.565
  509    HA   SER  66           HA       SER  66 -12.006   9.683   6.452
  510   1HB   SER  66          2HB       SER  66  -9.669   9.611   7.437
  511   2HB   SER  66          1HB       SER  66 -10.311   7.979   7.186
  512    HG   SER  66           HG       SER  66  -9.057   9.218   4.996
  513    H    GLU  67           HN       GLU  67 -11.147  11.802   6.901
  514    HA   GLU  67           HA       GLU  67 -10.467  13.285   4.464
  515   1HB   GLU  67          2HB       GLU  67 -11.013  14.218   7.342
  516   2HB   GLU  67          1HB       GLU  67 -10.933  15.247   5.933
  517   1HG   GLU  67          2HG       GLU  67 -12.957  14.256   4.987
  518   2HG   GLU  67          1HG       GLU  67 -12.996  12.992   6.202
   
  Start of MODEL           8
 Raw file had  518 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          2H        ALA   1   5.462  -3.940  16.423
    2   2H    ALA   1          1H        ALA   1   5.649  -2.455  17.219
    3   3H    ALA   1          3H        ALA   1   4.184  -2.815  16.429
    4    HA   ALA   1           HA       ALA   1   4.977  -2.021  14.492
    5   1HB   ALA   1          2HB       ALA   1   6.399  -0.463  15.974
    6   2HB   ALA   1          1HB       ALA   1   7.658  -1.694  15.981
    7   3HB   ALA   1          3HB       ALA   1   7.217  -0.896  14.485
    8    OH   TYR   2           OH       TYR   2   0.959  -4.767  10.701
    9    H    TYR   2           H        TYR   2   6.244  -2.904  12.591
   10    HA   TYR   2           HA       TYR   2   8.121  -5.044  13.052
   11   1HB   TYR   2          2HB       TYR   2   6.637  -6.827  11.947
   12   2HB   TYR   2          1HB       TYR   2   6.154  -6.369  13.557
   13    HD1  TYR   2           HD2      TYR   2   5.390  -5.343   9.952
   14    HD2  TYR   2           HD1      TYR   2   3.896  -5.903  13.915
   15    HE1  TYR   2           HE2      TYR   2   3.156  -4.822   9.178
   16    HE2  TYR   2           HE1      TYR   2   1.650  -5.365  13.106
   17    HH   TYR   2           HH       TYR   2   0.917  -4.474   9.768
   18    NH1  ARG   3           NH1      ARG   3  12.187   0.090  10.891
   19    NH2  ARG   3           NH2      ARG   3  12.476  -1.153  12.811
   20    H    ARG   3           H        ARG   3   8.993  -5.845  11.095
   21    HA   ARG   3           HA       ARG   3   8.215  -4.599   8.524
   22   1HB   ARG   3          2HB       ARG   3  10.991  -4.298   9.758
   23   2HB   ARG   3          1HB       ARG   3  10.605  -3.933   8.097
   24   1HG   ARG   3          2HG       ARG   3  10.177  -1.810   8.802
   25   2HG   ARG   3          1HG       ARG   3   8.646  -2.436   9.326
   26   1HD   ARG   3          2HD       ARG   3   9.580  -1.243  11.200
   27   2HD   ARG   3          1HD       ARG   3   9.761  -2.950  11.607
   28    HE   ARG   3           HE       ARG   3  12.117  -2.700  10.534
   29   1HH1  ARG   3          2HH1      ARG   3  11.851   0.085   9.945
   30   2HH1  ARG   3          1HH1      ARG   3  12.582   0.928  11.265
   31   1HH2  ARG   3          1HH2      ARG   3  12.348  -2.041  13.256
   32   2HH2  ARG   3          2HH2      ARG   3  12.898  -0.410  13.330
   33    HA   PRO   4           HA       PRO   4   9.715  -8.813   7.683
   34   1HB   PRO   4          2HB       PRO   4   7.440 -10.195   7.536
   35   2HB   PRO   4          1HB       PRO   4   7.961  -9.658   9.130
   36   1HG   PRO   4          2HG       PRO   4   5.973  -8.219   7.260
   37   2HG   PRO   4          1HG       PRO   4   5.714  -8.710   8.936
   38   1HD   PRO   4          2HD       PRO   4   6.652  -6.177   8.196
   39   2HD   PRO   4          1HD       PRO   4   7.004  -6.918   9.779
   40    H    SER   5           H        SER   5   7.547  -9.757   5.787
   41    HA   SER   5           HA       SER   5   7.138  -9.616   3.492
   42   1HB   SER   5          2HB       SER   5   5.726  -7.856   4.375
   43   2HB   SER   5          1HB       SER   5   7.064  -6.710   4.425
   44    HG   SER   5           HG       SER   5   6.546  -6.206   2.485
   45    H    GLU   6           H        GLU   6   8.093  -7.256   1.947
   46    HA   GLU   6           HA       GLU   6  10.994  -7.279   2.041
   47   1HB   GLU   6          2HB       GLU   6  10.528  -8.160  -0.663
   48   2HB   GLU   6          1HB       GLU   6  11.274  -9.107   0.600
   49   1HG   GLU   6          2HG       GLU   6   8.884  -9.942   1.216
   50   2HG   GLU   6          1HG       GLU   6   8.331  -9.159  -0.242
   51    H    THR   7           H        THR   7  11.451  -6.046  -0.465
   52    HA   THR   7           HA       THR   7  10.046  -3.559  -0.080
   53    HB   THR   7           HB       THR   7  11.350  -3.198  -2.434
   54    HG1  THR   7           HG1      THR   7  12.432  -5.001  -2.908
   55   1HG2  THR   7          1HG2      THR   7  12.172  -2.364  -0.127
   56   2HG2  THR   7          3HG2      THR   7  12.932  -3.926   0.114
   57   3HG2  THR   7          2HG2      THR   7  13.464  -2.874  -1.190
   58    H    LEU   8           H        LEU   8   9.565  -6.342  -1.998
   59    HA   LEU   8           HA       LEU   8   7.917  -6.975  -3.473
   60   1HB   LEU   8          2HB       LEU   8   6.519  -4.839  -1.838
   61   2HB   LEU   8          1HB       LEU   8   5.628  -5.555  -3.129
   62    HG   LEU   8           HG       LEU   8   5.021  -6.679  -1.179
   63   1HD1  LEU   8          3HD1      LEU   8   5.251  -8.055  -3.188
   64   2HD1  LEU   8          2HD1      LEU   8   6.898  -8.470  -2.761
   65   3HD1  LEU   8          1HD1      LEU   8   5.574  -8.999  -1.744
   66   1HD2  LEU   8          1HD2      LEU   8   7.928  -7.184  -0.657
   67   2HD2  LEU   8          3HD2      LEU   8   6.835  -6.122   0.210
   68   3HD2  LEU   8          2HD2      LEU   8   6.597  -7.860   0.274
   69    H    CYS   9           H        CYS   9   7.716  -6.831  -5.663
   70    HA   CYS   9           HA       CYS   9   7.086  -4.127  -6.760
   71   1HB   CYS   9          2HB       CYS   9   9.555  -4.295  -6.928
   72   2HB   CYS   9          1HB       CYS   9   9.385  -5.746  -7.894
   73    H    GLY  10           H        GLY  10   6.160  -4.002  -8.676
   74   1HA   GLY  10          2HA       GLY  10   4.734  -4.583 -10.444
   75   2HA   GLY  10          1HA       GLY  10   5.811  -5.949 -10.679
   76    H    GLY  11           H        GLY  11   4.222  -7.362 -11.284
   77   1HA   GLY  11          2HA       GLY  11   1.683  -7.852 -10.299
   78   2HA   GLY  11          1HA       GLY  11   2.738  -9.158 -10.844
   79    H    GLU  12           H        GLU  12   4.638  -9.252  -9.090
   80    HA   GLU  12           HA       GLU  12   3.765 -10.770  -6.916
   81   1HB   GLU  12          2HB       GLU  12   6.109 -10.800  -7.516
   82   2HB   GLU  12          1HB       GLU  12   6.262  -9.071  -7.413
   83   1HG   GLU  12          2HG       GLU  12   5.817  -9.384  -4.838
   84   2HG   GLU  12          1HG       GLU  12   6.106 -11.085  -5.164
   85    H    LEU  13           H        LEU  13   4.895  -7.451  -6.858
   86    HA   LEU  13           HA       LEU  13   3.974  -6.838  -4.255
   87   1HB   LEU  13          2HB       LEU  13   5.401  -5.276  -4.980
   88   2HB   LEU  13          1HB       LEU  13   4.963  -5.338  -6.613
   89    HG   LEU  13           HG       LEU  13   2.983  -4.076  -4.756
   90   1HD1  LEU  13          2HD1      LEU  13   5.550  -2.757  -5.728
   91   2HD1  LEU  13          1HD1      LEU  13   4.234  -1.975  -4.842
   92   3HD1  LEU  13          3HD1      LEU  13   5.186  -3.225  -4.083
   93   1HD2  LEU  13          2HD2      LEU  13   4.108  -3.646  -7.524
   94   2HD2  LEU  13          1HD2      LEU  13   2.598  -4.443  -7.167
   95   3HD2  LEU  13          3HD2      LEU  13   2.774  -2.724  -6.845
   96    H    VAL  14           H        VAL  14   2.092  -6.761  -7.329
   97    HA   VAL  14           HA       VAL  14  -0.095  -5.310  -6.168
   98    HB   VAL  14           HB       VAL  14  -0.314  -7.668  -8.139
   99   1HG1  VAL  14          3HG1      VAL  14  -2.193  -5.301  -7.611
  100   2HG1  VAL  14          2HG1      VAL  14  -2.450  -6.548  -8.820
  101   3HG1  VAL  14          1HG1      VAL  14  -2.499  -6.956  -7.117
  102   1HG2  VAL  14          1HG2      VAL  14  -0.007  -4.667  -8.698
  103   2HG2  VAL  14          3HG2      VAL  14   1.237  -5.869  -8.977
  104   3HG2  VAL  14          2HG2      VAL  14  -0.237  -5.906  -9.923
  105    H    ASP  15           H        ASP  15   1.022  -8.573  -5.869
  106    HA   ASP  15           HA       ASP  15  -1.251  -9.649  -4.468
  107   1HB   ASP  15          2HB       ASP  15   1.090 -10.795  -5.551
  108   2HB   ASP  15          1HB       ASP  15   1.400 -10.856  -3.836
  109    H    THR  16           H        THR  16   1.554  -7.816  -3.524
  110    HA   THR  16           HA       THR  16   1.781  -8.312  -0.787
  111    HB   THR  16           HB       THR  16   3.203  -6.557  -2.096
  112    HG1  THR  16           HG1      THR  16   3.557  -6.411   0.037
  113   1HG2  THR  16          3HG2      THR  16   1.118  -4.993  -2.730
  114   2HG2  THR  16          2HG2      THR  16   1.035  -4.649  -1.040
  115   3HG2  THR  16          1HG2      THR  16   2.469  -4.241  -1.975
  116    H    LEU  17           H        LEU  17  -0.456  -6.229  -2.463
  117    HA   LEU  17           HA       LEU  17  -1.947  -5.510  -0.093
  118   1HB   LEU  17          2HB       LEU  17  -2.710  -5.562  -2.897
  119   2HB   LEU  17          1HB       LEU  17  -3.506  -4.531  -1.739
  120    HG   LEU  17           HG       LEU  17  -0.577  -4.207  -2.595
  121   1HD1  LEU  17          1HD1      LEU  17  -2.170  -3.593  -4.293
  122   2HD1  LEU  17          3HD1      LEU  17  -2.940  -2.489  -3.133
  123   3HD1  LEU  17          2HD1      LEU  17  -1.270  -2.226  -3.635
  124   1HD2  LEU  17          2HD2      LEU  17  -1.120  -3.442  -0.232
  125   2HD2  LEU  17          1HD2      LEU  17  -0.635  -2.162  -1.307
  126   3HD2  LEU  17          3HD2      LEU  17  -2.333  -2.379  -0.905
  127    H    GLN  18           H        GLN  18  -2.462  -7.696  -2.892
  128    HA   GLN  18           HA       GLN  18  -4.940  -8.700  -2.109
  129   1HB   GLN  18          2HB       GLN  18  -3.492  -9.327  -4.222
  130   2HB   GLN  18          1HB       GLN  18  -2.656 -10.448  -3.158
  131   1HG   GLN  18          2HG       GLN  18  -4.737 -11.716  -2.763
  132   2HG   GLN  18          1HG       GLN  18  -5.648 -10.589  -3.757
  133   1HE2  GLN  18          2HE2      GLN  18  -2.892 -12.980  -5.666
  134   2HE2  GLN  18          1HE2      GLN  18  -2.558 -12.459  -4.106
  135    H    PHE  19           H        PHE  19  -1.895  -9.323  -0.568
  136    HA   PHE  19           HA       PHE  19  -3.230 -11.410   1.105
  137   1HB   PHE  19          2HB       PHE  19  -1.110 -12.227   1.657
  138   2HB   PHE  19          1HB       PHE  19  -0.729 -11.539   0.098
  139    HD1  PHE  19           HD1      PHE  19  -0.768 -10.647   3.731
  140    HD2  PHE  19           HD2      PHE  19   1.069 -10.032  -0.044
  141    HE1  PHE  19           HE1      PHE  19   0.931  -9.255   4.805
  142    HE2  PHE  19           HE2      PHE  19   2.794  -8.616   1.051
  143    HZ   PHE  19           HZ       PHE  19   2.730  -8.263   3.456
  144    H    VAL  20           H        VAL  20  -1.612  -8.079   1.481
  145    HA   VAL  20           HA       VAL  20  -2.540  -8.187   4.250
  146    HB   VAL  20           HB       VAL  20  -0.300  -7.283   3.008
  147   1HG1  VAL  20          1HG1      VAL  20  -1.944  -4.763   3.191
  148   2HG1  VAL  20          3HG1      VAL  20  -0.202  -4.867   2.970
  149   3HG1  VAL  20          2HG1      VAL  20  -1.272  -5.475   1.739
  150   1HG2  VAL  20          2HG2      VAL  20  -1.605  -6.154   5.426
  151   2HG2  VAL  20          1HG2      VAL  20  -0.630  -7.625   5.305
  152   3HG2  VAL  20          3HG2      VAL  20   0.130  -6.050   5.030
  153    H    CYS  21           H        CYS  21  -3.142  -6.247   1.313
  154    HA   CYS  21           HA       CYS  21  -5.511  -4.995   2.573
  155   1HB   CYS  21          2HB       CYS  21  -3.768  -4.475   0.294
  156   2HB   CYS  21          1HB       CYS  21  -5.447  -4.124   0.028
  157    H    GLY  22           H        GLY  22  -5.078  -7.834   1.511
  158   1HA   GLY  22          2HA       GLY  22  -7.171  -8.225  -0.476
  159   2HA   GLY  22          1HA       GLY  22  -6.367  -9.495   0.452
  160    H    ASP  23           H        ASP  23  -8.664 -10.253   0.376
  161    HA   ASP  23           HA       ASP  23 -10.702 -10.711   1.400
  162   1HB   ASP  23          2HB       ASP  23  -8.859 -11.294   3.145
  163   2HB   ASP  23          1HB       ASP  23  -9.313  -9.797   3.946
  164    NH1  ARG  24           NH1      ARG  24 -10.647  -3.917   5.541
  165    NH2  ARG  24           NH2      ARG  24 -12.140  -2.917   4.143
  166    H    ARG  24           H        ARG  24 -10.009  -7.854   0.678
  167    HA   ARG  24           HA       ARG  24 -12.526  -6.646   1.302
  168   1HB   ARG  24          2HB       ARG  24 -11.749  -4.781   2.625
  169   2HB   ARG  24          1HB       ARG  24 -11.362  -6.234   3.507
  170   1HG   ARG  24          2HG       ARG  24  -9.208  -5.474   3.700
  171   2HG   ARG  24          1HG       ARG  24  -9.032  -5.692   1.991
  172   1HD   ARG  24          2HD       ARG  24  -8.413  -3.484   2.356
  173   2HD   ARG  24          1HD       ARG  24 -10.013  -3.373   1.641
  174    HE   ARG  24           HE       ARG  24  -9.477  -1.976   3.938
  175   1HH1  ARG  24          2HH1      ARG  24  -9.684  -4.128   5.730
  176   2HH1  ARG  24          1HH1      ARG  24 -11.352  -4.248   6.171
  177   1HH2  ARG  24          1HH2      ARG  24 -12.318  -2.403   3.305
  178   2HH2  ARG  24          2HH2      ARG  24 -12.915  -3.190   4.714
  179    H    GLY  25           H        GLY  25  -9.202  -6.483   0.144
  180   1HA   GLY  25          2HA       GLY  25  -8.699  -5.945  -2.114
  181   2HA   GLY  25          1HA       GLY  25 -10.193  -5.041  -2.216
  182    H    PHE  26           H        PHE  26  -8.095  -3.974  -3.324
  183    HA   PHE  26           HA       PHE  26  -7.363  -1.705  -1.585
  184   1HB   PHE  26          2HB       PHE  26  -5.096  -1.805  -2.951
  185   2HB   PHE  26          1HB       PHE  26  -5.291  -2.731  -1.494
  186    HD1  PHE  26           HD1      PHE  26  -6.201  -5.105  -1.763
  187    HD2  PHE  26           HD2      PHE  26  -4.543  -2.879  -4.987
  188    HE1  PHE  26           HE1      PHE  26  -5.850  -7.142  -2.946
  189    HE2  PHE  26           HE2      PHE  26  -4.167  -4.914  -6.200
  190    HZ   PHE  26           HZ       PHE  26  -4.800  -7.113  -5.217
  191    OH   TYR  27           OH       TYR  27 -12.709   3.002  -1.741
  192    H    TYR  27           H        TYR  27  -6.488   0.038  -2.730
  193    HA   TYR  27           HA       TYR  27  -7.984   0.515  -5.254
  194   1HB   TYR  27          2HB       TYR  27  -6.779   2.441  -3.189
  195   2HB   TYR  27          1HB       TYR  27  -7.376   3.019  -4.721
  196    HD1  TYR  27           HD2      TYR  27  -9.929   2.196  -5.219
  197    HD2  TYR  27           HD1      TYR  27  -8.228   2.736  -1.352
  198    HE1  TYR  27           HE2      TYR  27 -12.169   2.531  -4.269
  199    HE2  TYR  27           HE1      TYR  27 -10.453   3.063  -0.422
  200    HH   TYR  27           HH       TYR  27 -12.866   2.240  -1.161
  201    H    PHE  28           H        PHE  28  -4.921  -0.144  -4.447
  202    HA   PHE  28           HA       PHE  28  -2.984  -0.259  -5.704
  203   1HB   PHE  28          2HB       PHE  28  -4.468   1.206  -7.950
  204   2HB   PHE  28          1HB       PHE  28  -2.977   0.301  -8.004
  205    HD1  PHE  28           HD1      PHE  28  -2.953  -2.167  -7.914
  206    HD2  PHE  28           HD2      PHE  28  -6.625  -0.005  -8.000
  207    HE1  PHE  28           HE1      PHE  28  -4.158  -4.215  -8.539
  208    HE2  PHE  28           HE2      PHE  28  -7.817  -2.050  -8.607
  209    HZ   PHE  28           HZ       PHE  28  -6.589  -4.164  -8.879
  210    H    SER  29           H        SER  29  -4.733   2.817  -6.109
  211    HA   SER  29           HA       SER  29  -2.305   4.211  -5.082
  212   1HB   SER  29          2HB       SER  29  -3.632   4.917  -7.745
  213   2HB   SER  29          1HB       SER  29  -2.391   5.898  -6.954
  214    HG   SER  29           HG       SER  29  -1.924   3.843  -8.481
  215    NH1  ARG  30           NH2      ARG  30  -2.525   9.724  -3.609
  216    NH2  ARG  30           NH1      ARG  30  -4.667  10.293  -3.009
  217    H    ARG  30           H        ARG  30  -5.115   3.800  -4.112
  218    HA   ARG  30           HA       ARG  30  -6.524   4.918  -2.678
  219   1HB   ARG  30          2HB       ARG  30  -5.149   7.524  -3.374
  220   2HB   ARG  30          1HB       ARG  30  -6.079   7.108  -1.963
  221   1HG   ARG  30          2HG       ARG  30  -4.339   6.249  -0.810
  222   2HG   ARG  30          1HG       ARG  30  -3.783   5.316  -2.181
  223   1HD   ARG  30          2HD       ARG  30  -2.138   7.139  -1.498
  224   2HD   ARG  30          1HD       ARG  30  -2.663   7.228  -3.179
  225    HE   ARG  30           HE       ARG  30  -3.833   8.930  -0.985
  226   1HH1  ARG  30          1HH2      ARG  30  -1.735   9.155  -3.390
  227   2HH1  ARG  30          2HH2      ARG  30  -2.470  10.352  -4.385
  228   1HH2  ARG  30          2HH1      ARG  30  -5.433  10.144  -2.380
  229   2HH2  ARG  30          1HH1      ARG  30  -4.763  10.976  -3.738
  230    HA   PRO  31           HA       PRO  31  -9.564   6.383  -5.501
  231   1HB   PRO  31          2HB       PRO  31 -11.419   7.497  -3.923
  232   2HB   PRO  31          1HB       PRO  31 -11.112   5.749  -3.938
  233   1HG   PRO  31          2HG       PRO  31  -9.998   7.857  -2.012
  234   2HG   PRO  31          1HG       PRO  31 -10.791   6.330  -1.590
  235   1HD   PRO  31          2HD       PRO  31  -8.064   6.474  -1.688
  236   2HD   PRO  31          1HD       PRO  31  -8.903   5.031  -2.304
  237    H    ALA  32           H        ALA  32  -8.363   7.717  -6.528
  238    HA   ALA  32           HA       ALA  32  -8.781  10.646  -6.196
  239   1HB   ALA  32          3HB       ALA  32  -6.465   9.972  -5.501
  240   2HB   ALA  32          2HB       ALA  32  -6.258   9.202  -7.066
  241   3HB   ALA  32          1HB       ALA  32  -6.419  10.951  -6.975
  242    H    SER  33           H        SER  33  -7.942  11.596  -8.531
  243    HA   SER  33           HA       SER  33  -9.725  10.407 -10.482
  244   1HB   SER  33          2HB       SER  33  -7.633  12.616 -10.954
  245   2HB   SER  33          1HB       SER  33  -9.214  12.442 -11.737
  246    HG   SER  33           HG       SER  33 -10.022  13.502 -10.083
  247    NH1  ARG  34           NH1      ARG  34 -11.083  10.909 -15.339
  248    NH2  ARG  34           NH2      ARG  34 -11.848   9.235 -16.711
  249    H    ARG  34           H        ARG  34  -7.888  10.932 -12.797
  250    HA   ARG  34           HA       ARG  34  -6.135   8.514 -12.498
  251   1HB   ARG  34          2HB       ARG  34  -6.561   8.055 -14.848
  252   2HB   ARG  34          1HB       ARG  34  -8.091   8.200 -14.015
  253   1HG   ARG  34          2HG       ARG  34  -8.038  10.729 -14.828
  254   2HG   ARG  34          1HG       ARG  34  -6.741  10.208 -15.877
  255   1HD   ARG  34          2HD       ARG  34  -8.813  10.064 -17.148
  256   2HD   ARG  34          1HD       ARG  34  -8.278   8.422 -16.823
  257    HE   ARG  34           HE       ARG  34  -9.948   8.343 -14.941
  258   1HH1  ARG  34          2HH1      ARG  34 -10.347  11.212 -14.736
  259   2HH1  ARG  34          1HH1      ARG  34 -11.871  11.506 -15.491
  260   1HH2  ARG  34          1HH2      ARG  34 -11.685   8.330 -17.107
  261   2HH2  ARG  34          2HH2      ARG  34 -12.687   9.716 -16.960
  262    H    VAL  35           H        VAL  35  -5.697  11.474 -12.125
  263    HA   VAL  35           HA       VAL  35  -3.691  12.085 -14.074
  264    HB   VAL  35           HB       VAL  35  -5.041  13.429 -11.699
  265   1HG1  VAL  35          1HG1      VAL  35  -3.001  14.641 -13.517
  266   2HG1  VAL  35          3HG1      VAL  35  -3.979  15.501 -12.314
  267   3HG1  VAL  35          2HG1      VAL  35  -2.831  14.272 -11.796
  268   1HG2  VAL  35          1HG2      VAL  35  -6.408  13.217 -13.796
  269   2HG2  VAL  35          3HG2      VAL  35  -6.042  14.902 -13.461
  270   3HG2  VAL  35          2HG2      VAL  35  -5.143  14.034 -14.696
  271    H    SER  36           H        SER  36  -3.946  10.619 -11.298
  272    HA   SER  36           HA       SER  36  -1.441  11.220  -9.987
  273   1HB   SER  36          2HB       SER  36  -3.205   8.789  -9.664
  274   2HB   SER  36          1HB       SER  36  -1.829   9.345  -8.695
  275    HG   SER  36           HG       SER  36  -3.344  10.528  -7.728
  276    NH1  ARG  37           NH1      ARG  37  -1.018   7.941 -19.453
  277    NH2  ARG  37           NH2      ARG  37  -1.312  10.211 -19.667
  278    H    ARG  37           H        ARG  37  -1.071  10.499 -12.603
  279    HA   ARG  37           HA       ARG  37   0.141   7.852 -12.856
  280   1HB   ARG  37          2HB       ARG  37   0.873  10.319 -14.448
  281   2HB   ARG  37          1HB       ARG  37   1.321   8.694 -14.869
  282   1HG   ARG  37          2HG       ARG  37  -1.067   8.063 -15.255
  283   2HG   ARG  37          1HG       ARG  37  -1.565   9.705 -14.876
  284   1HD   ARG  37          2HD       ARG  37  -0.254  10.604 -16.774
  285   2HD   ARG  37          1HD       ARG  37   0.472   9.036 -17.081
  286    HE   ARG  37           HE       ARG  37  -2.471   9.071 -17.355
  287   1HH1  ARG  37          2HH1      ARG  37  -1.025   7.155 -18.833
  288   2HH1  ARG  37          1HH1      ARG  37  -0.801   7.793 -20.418
  289   1HH2  ARG  37          1HH2      ARG  37  -1.535  11.065 -19.198
  290   2HH2  ARG  37          2HH2      ARG  37  -1.116  10.232 -20.647
  291    NH1  ARG  38           NH1      ARG  38   7.889   6.280 -11.925
  292    NH2  ARG  38           NH2      ARG  38   8.445   5.879 -14.115
  293    H    ARG  38           H        ARG  38   1.957   7.249 -12.021
  294    HA   ARG  38           HA       ARG  38   4.022   7.163 -10.973
  295   1HB   ARG  38          2HB       ARG  38   4.560   9.975 -12.018
  296   2HB   ARG  38          1HB       ARG  38   5.705   8.708 -11.665
  297   1HG   ARG  38          2HG       ARG  38   3.688   8.232 -13.870
  298   2HG   ARG  38          1HG       ARG  38   5.115   9.172 -14.208
  299   1HD   ARG  38          2HD       ARG  38   5.210   6.385 -12.946
  300   2HD   ARG  38          1HD       ARG  38   5.327   6.650 -14.678
  301    HE   ARG  38           HE       ARG  38   7.264   8.347 -13.753
  302   1HH1  ARG  38          2HH1      ARG  38   7.319   6.813 -11.286
  303   2HH1  ARG  38          1HH1      ARG  38   8.502   5.598 -11.536
  304   1HH2  ARG  38          1HH2      ARG  38   8.298   6.128 -15.071
  305   2HH2  ARG  38          2HH2      ARG  38   9.092   5.153 -13.887
  306    H    SER  39           H        SER  39   5.434   8.621  -9.450
  307    HA   SER  39           HA       SER  39   5.642   9.954  -7.529
  308   1HB   SER  39          2HB       SER  39   4.132  11.664  -8.773
  309   2HB   SER  39          1HB       SER  39   2.738  10.935  -7.996
  310    HG   SER  39           HG       SER  39   4.344  11.280  -6.012
  311    NH1  ARG  40           NH1      ARG  40   0.095   8.669   1.413
  312    NH2  ARG  40           NH2      ARG  40   1.094   6.595   1.262
  313    H    ARG  40           H        ARG  40   2.439   9.993  -6.033
  314    HA   ARG  40           HA       ARG  40   3.266   7.620  -4.644
  315   1HB   ARG  40          2HB       ARG  40   2.962   9.661  -3.363
  316   2HB   ARG  40          1HB       ARG  40   1.351   9.844  -4.070
  317   1HG   ARG  40          2HG       ARG  40   0.556   7.919  -3.154
  318   2HG   ARG  40          1HG       ARG  40   2.169   7.377  -2.667
  319   1HD   ARG  40          2HD       ARG  40   2.235   9.148  -0.976
  320   2HD   ARG  40          1HD       ARG  40   0.608   9.706  -1.442
  321    HE   ARG  40           HE       ARG  40   0.279   6.963  -1.045
  322   1HH1  ARG  40          2HH1      ARG  40  -0.258   9.473   0.936
  323   2HH1  ARG  40          1HH1      ARG  40   0.038   8.648   2.414
  324   1HH2  ARG  40          1HH2      ARG  40   1.452   5.886   0.637
  325   2HH2  ARG  40          2HH2      ARG  40   1.122   6.423   2.247
  326    H    GLY  41           H        GLY  41   2.335   5.942  -4.656
  327   1HA   GLY  41          2HA       GLY  41  -0.250   5.009  -4.611
  328   2HA   GLY  41          1HA       GLY  41   0.181   5.040  -6.344
  329    H    ILE  42           H        ILE  42  -0.065   2.441  -5.357
  330    HA   ILE  42           HA       ILE  42   2.075   1.358  -4.039
  331    HB   ILE  42           HB       ILE  42  -0.017   0.548  -6.082
  332   1HG1  ILE  42          2HG1      ILE  42  -0.588   1.243  -3.711
  333   2HG1  ILE  42          1HG1      ILE  42  -1.222  -0.305  -4.188
  334   1HG2  ILE  42          2HG2      ILE  42   1.829  -1.427  -4.788
  335   2HG2  ILE  42          1HG2      ILE  42   0.313  -1.795  -5.617
  336   3HG2  ILE  42          3HG2      ILE  42   1.621  -1.048  -6.499
  337   1HD1  ILE  42          1HD1      ILE  42   1.347   0.218  -2.634
  338   2HD1  ILE  42          3HD1      ILE  42  -0.163  -0.286  -1.946
  339   3HD1  ILE  42          2HD1      ILE  42   0.718  -1.366  -3.027
  340    H    VAL  43           H        VAL  43   3.342  -0.510  -5.534
  341    HA   VAL  43           HA       VAL  43   5.166  -0.880  -6.729
  342    HB   VAL  43           HB       VAL  43   4.595   0.937  -9.023
  343   1HG1  VAL  43          2HG1      VAL  43   4.570  -2.020  -8.518
  344   2HG1  VAL  43          1HG1      VAL  43   4.643  -1.276 -10.110
  345   3HG1  VAL  43          3HG1      VAL  43   5.979  -1.067  -8.968
  346   1HG2  VAL  43          2HG2      VAL  43   2.426  -1.064  -8.293
  347   2HG2  VAL  43          1HG2      VAL  43   2.187   0.676  -8.248
  348   3HG2  VAL  43          3HG2      VAL  43   2.533  -0.109  -9.764
  349    H    GLU  44           H        GLU  44   4.820   2.567  -7.823
  350    HA   GLU  44           HA       GLU  44   7.573   2.975  -7.504
  351   1HB   GLU  44          2HB       GLU  44   5.187   4.754  -7.696
  352   2HB   GLU  44          1HB       GLU  44   6.639   5.521  -7.079
  353   1HG   GLU  44          2HG       GLU  44   7.888   4.846  -9.015
  354   2HG   GLU  44          1HG       GLU  44   6.649   3.716  -9.525
  355    H    GLU  45           H        GLU  45   5.061   3.500  -4.989
  356    HA   GLU  45           HA       GLU  45   6.996   4.558  -3.154
  357   1HB   GLU  45          2HB       GLU  45   5.158   4.673  -1.742
  358   2HB   GLU  45          1HB       GLU  45   4.304   4.360  -3.219
  359   1HG   GLU  45          2HG       GLU  45   4.530   1.907  -2.675
  360   2HG   GLU  45          1HG       GLU  45   5.145   2.386  -1.116
  361    H    CYS  46           H        CYS  46   5.814   1.209  -3.796
  362    HA   CYS  46           HA       CYS  46   7.716   0.200  -1.778
  363   1HB   CYS  46          2HB       CYS  46   5.111  -0.656  -2.672
  364   2HB   CYS  46          1HB       CYS  46   6.263  -1.778  -3.306
  365    H    CYS  47           H        CYS  47   6.897  -0.981  -4.973
  366    HA   CYS  47           HA       CYS  47   9.019  -2.417  -5.701
  367   1HB   CYS  47          2HB       CYS  47   7.305  -1.876  -7.363
  368   2HB   CYS  47          1HB       CYS  47   7.985  -0.274  -7.573
  369    H    PHE  48           H        PHE  48   8.916   1.218  -5.788
  370    HA   PHE  48           HA       PHE  48  11.766   1.360  -6.327
  371   1HB   PHE  48          2HB       PHE  48   9.337   2.845  -6.744
  372   2HB   PHE  48          1HB       PHE  48  10.555   3.882  -6.203
  373    HD1  PHE  48           HD1      PHE  48  10.733   0.824  -8.411
  374    HD2  PHE  48           HD2      PHE  48  10.958   5.081  -8.275
  375    HE1  PHE  48           HE1      PHE  48  11.345   0.865 -10.766
  376    HE2  PHE  48           HE2      PHE  48  11.571   5.127 -10.639
  377    HZ   PHE  48           HZ       PHE  48  11.778   3.013 -11.907
  378    NH1  ARG  49           NH1      ARG  49  13.451   6.551  -1.949
  379    NH2  ARG  49           NH2      ARG  49  12.605   7.911  -3.598
  380    H    ARG  49           H        ARG  49   9.571   2.364  -3.464
  381    HA   ARG  49           HA       ARG  49  12.145   3.465  -2.348
  382   1HB   ARG  49          2HB       ARG  49   9.543   3.421  -0.777
  383   2HB   ARG  49          1HB       ARG  49  10.870   4.551  -0.699
  384   1HG   ARG  49          2HG       ARG  49   9.000   4.306  -3.076
  385   2HG   ARG  49          1HG       ARG  49   8.875   5.552  -1.867
  386   1HD   ARG  49          2HD       ARG  49  11.258   5.063  -3.733
  387   2HD   ARG  49          1HD       ARG  49   9.997   6.256  -3.981
  388    HE   ARG  49           HE       ARG  49  10.800   7.025  -1.540
  389   1HH1  ARG  49          2HH1      ARG  49  13.245   5.883  -1.236
  390   2HH1  ARG  49          1HH1      ARG  49  14.404   6.808  -2.113
  391   1HH2  ARG  49          1HH2      ARG  49  11.794   8.252  -4.078
  392   2HH2  ARG  49          2HH2      ARG  49  13.504   8.245  -3.880
  393    H    SER  50           H        SER  50  11.118   2.744   0.404
  394    HA   SER  50           HA       SER  50  12.543   0.124   0.575
  395   1HB   SER  50          2HB       SER  50  13.107   1.953   2.292
  396   2HB   SER  50          1HB       SER  50  11.470   1.829   2.946
  397    HG   SER  50           HG       SER  50  11.908  -0.202   3.654
  398    H    CYS  51           H        CYS  51   9.692   1.436   2.224
  399    HA   CYS  51           HA       CYS  51   7.664   0.479   2.824
  400   1HB   CYS  51          2HB       CYS  51   7.482   1.080   0.401
  401   2HB   CYS  51          1HB       CYS  51   8.062  -0.521   0.042
  402    H    ASP  52           H        ASP  52   8.512  -1.011   4.478
  403    HA   ASP  52           HA       ASP  52   9.263  -3.718   3.808
  404   1HB   ASP  52          2HB       ASP  52   7.952  -3.098   6.505
  405   2HB   ASP  52          1HB       ASP  52   9.372  -4.048   6.150
  406    H    LEU  53           H        LEU  53   6.344  -2.538   5.403
  407    HA   LEU  53           HA       LEU  53   4.609  -4.002   3.576
  408   1HB   LEU  53          2HB       LEU  53   5.203  -5.839   5.175
  409   2HB   LEU  53          1HB       LEU  53   4.552  -4.897   6.499
  410    HG   LEU  53           HG       LEU  53   2.280  -4.968   5.605
  411   1HD1  LEU  53          1HD1      LEU  53   3.455  -6.321   3.126
  412   2HD1  LEU  53          3HD1      LEU  53   1.734  -6.157   3.436
  413   3HD1  LEU  53          2HD1      LEU  53   2.713  -4.742   3.215
  414   1HD2  LEU  53          2HD2      LEU  53   3.463  -7.753   5.339
  415   2HD2  LEU  53          1HD2      LEU  53   2.839  -7.012   6.811
  416   3HD2  LEU  53          3HD2      LEU  53   1.759  -7.370   5.490
  417    H    ALA  54           H        ALA  54   4.616  -2.538   6.742
  418    HA   ALA  54           HA       ALA  54   2.121  -1.751   7.352
  419   1HB   ALA  54          2HB       ALA  54   4.536   0.127   7.328
  420   2HB   ALA  54          1HB       ALA  54   3.059   0.405   8.240
  421   3HB   ALA  54          3HB       ALA  54   4.080  -0.969   8.631
  422    H    LEU  55           H        LEU  55   3.845  -0.243   4.658
  423    HA   LEU  55           HA       LEU  55   1.934   1.766   4.195
  424   1HB   LEU  55          2HB       LEU  55   4.419   0.588   3.073
  425   2HB   LEU  55          1HB       LEU  55   3.371   1.143   1.863
  426    HG   LEU  55           HG       LEU  55   4.293   2.737   4.317
  427   1HD1  LEU  55          1HD1      LEU  55   6.163   2.201   2.728
  428   2HD1  LEU  55          3HD1      LEU  55   5.251   2.897   1.403
  429   3HD1  LEU  55          2HD1      LEU  55   5.833   3.927   2.703
  430   1HD2  LEU  55          2HD2      LEU  55   2.138   3.616   3.293
  431   2HD2  LEU  55          1HD2      LEU  55   3.450   4.754   3.057
  432   3HD2  LEU  55          3HD2      LEU  55   2.949   3.708   1.736
  433    H    LEU  56           H        LEU  56   2.524  -1.369   2.648
  434    HA   LEU  56           HA       LEU  56   0.397  -1.232   0.778
  435   1HB   LEU  56          2HB       LEU  56   1.367  -3.541   2.340
  436   2HB   LEU  56          1HB       LEU  56   0.516  -3.740   0.857
  437    HG   LEU  56           HG       LEU  56   2.634  -3.904  -0.016
  438   1HD1  LEU  56          3HD1      LEU  56   1.763  -1.998  -1.193
  439   2HD1  LEU  56          2HD1      LEU  56   2.469  -0.899  -0.017
  440   3HD1  LEU  56          1HD1      LEU  56   3.503  -1.866  -1.044
  441   1HD2  LEU  56          3HD2      LEU  56   3.936  -2.260   2.091
  442   2HD2  LEU  56          2HD2      LEU  56   3.954  -4.002   1.797
  443   3HD2  LEU  56          1HD2      LEU  56   4.705  -2.925   0.680
  444    H    GLU  57           H        GLU  57   0.397  -2.169   4.149
  445    HA   GLU  57           HA       GLU  57  -2.209  -3.185   4.371
  446   1HB   GLU  57          2HB       GLU  57  -0.783  -1.380   6.408
  447   2HB   GLU  57          1HB       GLU  57  -2.085  -2.498   6.767
  448   1HG   GLU  57          2HG       GLU  57  -0.693  -4.362   5.903
  449   2HG   GLU  57          1HG       GLU  57   0.655  -3.280   5.680
  450    H    THR  58           H        THR  58  -1.217   0.146   4.062
  451    HA   THR  58           HA       THR  58  -4.002   1.035   4.537
  452    HB   THR  58           HB       THR  58  -2.492   2.500   5.603
  453    HG1  THR  58           HG1      THR  58  -3.719   3.478   3.400
  454   1HG2  THR  58          3HG2      THR  58  -0.769   2.676   3.121
  455   2HG2  THR  58          2HG2      THR  58  -0.542   3.585   4.610
  456   3HG2  THR  58          1HG2      THR  58  -0.359   1.849   4.625
  457    OH   TYR  59           OH       TYR  59   0.740   5.218  -1.059
  458    H    TYR  59           H        TYR  59  -2.379  -0.138   1.751
  459    HA   TYR  59           HA       TYR  59  -3.764   1.855   0.012
  460   1HB   TYR  59          2HB       TYR  59  -1.808  -0.362  -0.415
  461   2HB   TYR  59          1HB       TYR  59  -2.765   0.189  -1.798
  462    HD1  TYR  59           HD1      TYR  59  -0.356   1.223   0.786
  463    HD2  TYR  59           HD2      TYR  59  -2.543   2.502  -2.603
  464    HE1  TYR  59           HE1      TYR  59   0.984   3.254   0.710
  465    HE2  TYR  59           HE2      TYR  59  -1.209   4.555  -2.692
  466    HH   TYR  59           HH       TYR  59   1.612   4.883  -1.346
  467    H    CYS  60           H        CYS  60  -5.227  -0.087   1.776
  468    HA   CYS  60           HA       CYS  60  -6.636  -1.978   0.367
  469   1HB   CYS  60          2HB       CYS  60  -6.786  -0.372   2.842
  470   2HB   CYS  60          1HB       CYS  60  -8.019  -1.462   2.440
  471    H    ALA  61           H        ALA  61  -9.115  -1.869   0.394
  472    HA   ALA  61           HA       ALA  61  -9.974   0.312  -1.388
  473   1HB   ALA  61          1HB       ALA  61 -11.291  -2.330  -0.666
  474   2HB   ALA  61          3HB       ALA  61 -11.895  -1.199  -1.863
  475   3HB   ALA  61          2HB       ALA  61 -10.345  -1.987  -2.104
  476    H    THR  62           H        THR  62 -10.219  -0.016   1.849
  477    HA   THR  62           HA       THR  62 -13.000   0.733   2.217
  478    HB   THR  62           HB       THR  62 -11.793  -0.392   4.072
  479    HG1  THR  62           HG1      THR  62 -12.006   2.093   5.238
  480   1HG2  THR  62          3HG2      THR  62 -10.056   2.104   4.129
  481   2HG2  THR  62          2HG2      THR  62  -9.953   0.772   5.280
  482   3HG2  THR  62          1HG2      THR  62  -9.488   0.550   3.610
  483    HA   PRO  63           HA       PRO  63 -12.566   5.154   1.543
  484   1HB   PRO  63          2HB       PRO  63 -14.592   6.117   3.085
  485   2HB   PRO  63          1HB       PRO  63 -14.913   5.262   1.572
  486   1HG   PRO  63          2HG       PRO  63 -14.883   4.117   4.416
  487   2HG   PRO  63          1HG       PRO  63 -16.143   3.937   3.194
  488   1HD   PRO  63          2HD       PRO  63 -14.302   1.985   3.513
  489   2HD   PRO  63          1HD       PRO  63 -14.817   2.428   1.868
  490    H    ALA  64           H        ALA  64 -10.561   4.738   2.634
  491    HA   ALA  64           HA       ALA  64 -10.283   5.958   5.349
  492   1HB   ALA  64          2HB       ALA  64  -8.515   3.975   3.821
  493   2HB   ALA  64          1HB       ALA  64  -8.103   4.636   5.387
  494   3HB   ALA  64          3HB       ALA  64  -9.512   3.616   5.220
  495    H    LYS  65           H        LYS  65 -10.534   7.214   2.631
  496    HA   LYS  65           HA       LYS  65  -8.085   8.243   1.765
  497   1HB   LYS  65          2HB       LYS  65 -10.298   8.004   0.556
  498   2HB   LYS  65          1HB       LYS  65 -10.909   9.303   1.561
  499   1HG   LYS  65          2HG       LYS  65  -8.639  10.454   0.681
  500   2HG   LYS  65          1HG       LYS  65  -8.906   9.291  -0.617
  501   1HD   LYS  65          2HD       LYS  65 -10.068  11.250  -1.330
  502   2HD   LYS  65          1HD       LYS  65 -11.305  10.151  -0.726
  503   1HE   LYS  65          2HE       LYS  65 -11.167  11.379   1.549
  504   2HE   LYS  65          1HE       LYS  65 -10.090  12.528   0.798
  505   1HZ   LYS  65          2HZ       LYS  65 -12.324  12.264  -0.872
  506   2HZ   LYS  65          1HZ       LYS  65 -12.900  12.417   0.712
  507   3HZ   LYS  65          3HZ       LYS  65 -11.900  13.628   0.081
  508    H    SER  66           H        SER  66  -7.183   8.789   3.811
  509    HA   SER  66           HA       SER  66  -8.146  11.038   5.367
  510   1HB   SER  66          2HB       SER  66  -5.478  10.477   6.132
  511   2HB   SER  66          1HB       SER  66  -6.877   9.614   6.787
  512    HG   SER  66           HG       SER  66  -6.456   7.933   5.455
  513    H    GLU  67           HN       GLU  67  -5.941  12.677   5.788
  514    HA   GLU  67           HA       GLU  67  -5.228  13.664   3.067
  515   1HB   GLU  67          2HB       GLU  67  -7.039  15.081   4.419
  516   2HB   GLU  67          1HB       GLU  67  -5.724  15.441   5.528
  517   1HG   GLU  67          2HG       GLU  67  -4.419  16.491   3.753
  518   2HG   GLU  67          1HG       GLU  67  -5.599  16.031   2.539
   
  Start of MODEL           9
 Raw file had  518 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  12.707 -11.846  12.381
    2   2H    ALA   1          3H        ALA   1  12.438 -10.858  13.743
    3   3H    ALA   1          2H        ALA   1  12.771 -12.515  13.936
    4    HA   ALA   1           HA       ALA   1  10.630 -13.055  13.743
    5   1HB   ALA   1          2HB       ALA   1  10.210 -10.733  14.781
    6   2HB   ALA   1          1HB       ALA   1  10.143 -10.051  13.162
    7   3HB   ALA   1          3HB       ALA   1   8.929 -11.201  13.696
    8    OH   TYR   2           OH       TYR   2   6.454 -14.208   4.319
    9    H    TYR   2           H        TYR   2   8.724 -11.812  11.801
   10    HA   TYR   2           HA       TYR   2   9.707 -13.177   9.418
   11   1HB   TYR   2          2HB       TYR   2   7.235 -13.047  10.249
   12   2HB   TYR   2          1HB       TYR   2   7.230 -11.382   9.700
   13    HD1  TYR   2           HD1      TYR   2   7.954 -14.850   8.511
   14    HD2  TYR   2           HD2      TYR   2   6.658 -10.927   7.429
   15    HE1  TYR   2           HE1      TYR   2   7.425 -15.634   6.254
   16    HE2  TYR   2           HE2      TYR   2   6.142 -11.718   5.193
   17    HH   TYR   2           HH       TYR   2   5.666 -13.748   4.014
   18    NH1  ARG   3           NH1      ARG   3   9.431 -11.381   2.327
   19    NH2  ARG   3           NH2      ARG   3  11.134 -12.664   1.471
   20    H    ARG   3           H        ARG   3   8.984 -11.618   7.322
   21    HA   ARG   3           HA       ARG   3  10.904  -9.342   7.440
   22   1HB   ARG   3          2HB       ARG   3  10.910 -11.309   5.613
   23   2HB   ARG   3          1HB       ARG   3   9.525 -10.464   4.968
   24   1HG   ARG   3          2HG       ARG   3  10.986  -8.343   4.906
   25   2HG   ARG   3          1HG       ARG   3  12.366  -9.372   5.233
   26   1HD   ARG   3          2HD       ARG   3  10.628  -9.232   2.752
   27   2HD   ARG   3          1HD       ARG   3  12.364  -9.229   2.867
   28    HE   ARG   3           HE       ARG   3  12.167 -11.693   3.611
   29   1HH1  ARG   3          2HH1      ARG   3   9.150 -10.652   2.964
   30   2HH1  ARG   3          1HH1      ARG   3   8.718 -11.781   1.754
   31   1HH2  ARG   3          1HH2      ARG   3  12.105 -12.909   1.488
   32   2HH2  ARG   3          2HH2      ARG   3  10.535 -13.133   0.822
   33    HA   PRO   4           HA       PRO   4   6.831  -7.303   7.199
   34   1HB   PRO   4          2HB       PRO   4   7.203  -5.173   8.781
   35   2HB   PRO   4          1HB       PRO   4   7.136  -6.776   9.522
   36   1HG   PRO   4          2HG       PRO   4   9.625  -5.161   8.724
   37   2HG   PRO   4          1HG       PRO   4   9.314  -5.986  10.251
   38   1HD   PRO   4          2HD       PRO   4  10.777  -7.177   8.159
   39   2HD   PRO   4          1HD       PRO   4   9.893  -8.111   9.389
   40    H    SER   5           H        SER   5   9.310  -6.884   5.458
   41    HA   SER   5           HA       SER   5   8.154  -4.622   3.994
   42   1HB   SER   5          2HB       SER   5   9.823  -3.551   5.580
   43   2HB   SER   5          1HB       SER   5  11.074  -4.563   4.814
   44    HG   SER   5           HG       SER   5   9.842  -2.320   3.861
   45    H    GLU   6           H        GLU   6   8.440  -4.848   1.922
   46    HA   GLU   6           HA       GLU   6  10.400  -6.808   0.881
   47   1HB   GLU   6          2HB       GLU   6   7.396  -6.636   0.446
   48   2HB   GLU   6          1HB       GLU   6   8.430  -7.443  -0.694
   49   1HG   GLU   6          2HG       GLU   6   7.505  -9.112   0.818
   50   2HG   GLU   6          1HG       GLU   6   9.201  -8.973   1.178
   51    H    THR   7           H        THR   7  10.687  -6.531  -1.520
   52    HA   THR   7           HA       THR   7  10.037  -3.770  -2.468
   53    HB   THR   7           HB       THR   7  12.342  -3.424  -3.225
   54    HG1  THR   7           HG1      THR   7  12.634  -5.547  -3.909
   55   1HG2  THR   7          1HG2      THR   7  12.570  -4.930  -0.566
   56   2HG2  THR   7          3HG2      THR   7  13.765  -3.817  -1.221
   57   3HG2  THR   7          2HG2      THR   7  12.189  -3.223  -0.724
   58    H    LEU   8           H        LEU   8   8.766  -6.175  -2.844
   59    HA   LEU   8           HA       LEU   8   9.542  -7.173  -5.540
   60   1HB   LEU   8          2HB       LEU   8   7.789  -8.925  -5.106
   61   2HB   LEU   8          1HB       LEU   8   9.113  -8.920  -3.980
   62    HG   LEU   8           HG       LEU   8   7.236  -7.237  -2.693
   63   1HD1  LEU   8          1HD1      LEU   8   5.477  -7.824  -4.377
   64   2HD1  LEU   8          3HD1      LEU   8   5.715  -9.512  -3.974
   65   3HD1  LEU   8          2HD1      LEU   8   5.107  -8.426  -2.769
   66   1HD2  LEU   8          2HD2      LEU   8   8.547  -9.170  -1.697
   67   2HD2  LEU   8          1HD2      LEU   8   6.850  -9.176  -1.230
   68   3HD2  LEU   8          3HD2      LEU   8   7.427 -10.267  -2.485
   69    H    CYS   9           H        CYS   9   8.666  -6.361  -7.344
   70    HA   CYS   9           HA       CYS   9   5.827  -5.702  -7.336
   71   1HB   CYS   9          2HB       CYS   9   6.158  -3.400  -8.139
   72   2HB   CYS   9          1HB       CYS   9   7.057  -3.639  -6.676
   73    H    GLY  10           H        GLY  10   5.355  -4.522  -9.556
   74   1HA   GLY  10          2HA       GLY  10   5.402  -4.762 -11.983
   75   2HA   GLY  10          1HA       GLY  10   6.690  -5.969 -11.794
   76    H    GLY  11           H        GLY  11   3.341  -5.429 -10.884
   77   1HA   GLY  11          2HA       GLY  11   1.445  -6.873 -11.188
   78   2HA   GLY  11          1HA       GLY  11   2.543  -8.130 -11.813
   79    H    GLU  12           H        GLU  12   4.373  -8.443 -10.025
   80    HA   GLU  12           HA       GLU  12   3.289 -10.018  -7.974
   81   1HB   GLU  12          2HB       GLU  12   5.726  -9.940  -8.898
   82   2HB   GLU  12          1HB       GLU  12   5.996  -8.586  -7.827
   83   1HG   GLU  12          2HG       GLU  12   5.369  -9.987  -5.880
   84   2HG   GLU  12          1HG       GLU  12   5.062 -11.340  -6.941
   85    H    LEU  13           H        LEU  13   4.170  -6.613  -7.926
   86    HA   LEU  13           HA       LEU  13   3.828  -6.244  -5.114
   87   1HB   LEU  13          2HB       LEU  13   4.957  -4.568  -6.075
   88   2HB   LEU  13          1HB       LEU  13   3.950  -4.284  -7.450
   89    HG   LEU  13           HG       LEU  13   2.330  -3.239  -5.759
   90   1HD1  LEU  13          2HD1      LEU  13   4.615  -3.985  -3.878
   91   2HD1  LEU  13          1HD1      LEU  13   3.333  -2.839  -3.451
   92   3HD1  LEU  13          3HD1      LEU  13   2.985  -4.513  -3.773
   93   1HD2  LEU  13          2HD2      LEU  13   4.053  -1.952  -7.025
   94   2HD2  LEU  13          1HD2      LEU  13   3.851  -1.275  -5.422
   95   3HD2  LEU  13          3HD2      LEU  13   5.233  -2.291  -5.767
   96    H    VAL  14           H        VAL  14   1.507  -6.679  -7.596
   97    HA   VAL  14           HA       VAL  14  -0.717  -5.400  -6.194
   98    HB   VAL  14           HB       VAL  14  -0.800  -7.686  -8.286
   99   1HG1  VAL  14          2HG1      VAL  14  -2.983  -7.190  -7.194
  100   2HG1  VAL  14          1HG1      VAL  14  -2.851  -5.504  -7.679
  101   3HG1  VAL  14          3HG1      VAL  14  -3.021  -6.762  -8.893
  102   1HG2  VAL  14          1HG2      VAL  14   0.562  -5.788  -9.178
  103   2HG2  VAL  14          3HG2      VAL  14  -0.951  -5.929 -10.046
  104   3HG2  VAL  14          2HG2      VAL  14  -0.751  -4.685  -8.823
  105    H    ASP  15           H        ASP  15   0.880  -8.532  -6.319
  106    HA   ASP  15           HA       ASP  15  -1.093  -9.930  -4.726
  107   1HB   ASP  15          2HB       ASP  15   0.685 -11.006  -6.229
  108   2HB   ASP  15          1HB       ASP  15   1.862 -10.618  -4.982
  109    H    THR  16           H        THR  16   1.849  -8.099  -3.960
  110    HA   THR  16           HA       THR  16   2.307  -8.703  -1.317
  111    HB   THR  16           HB       THR  16   2.146  -5.735  -2.117
  112    HG1  THR  16           HG1      THR  16   4.301  -6.619  -3.083
  113   1HG2  THR  16          1HG2      THR  16   3.302  -6.510   0.093
  114   2HG2  THR  16          3HG2      THR  16   4.416  -7.429  -0.903
  115   3HG2  THR  16          2HG2      THR  16   4.357  -5.678  -1.027
  116    H    LEU  17           H        LEU  17   0.107  -6.197  -2.442
  117    HA   LEU  17           HA       LEU  17  -1.106  -5.621   0.045
  118   1HB   LEU  17          2HB       LEU  17  -2.232  -5.668  -2.636
  119   2HB   LEU  17          1HB       LEU  17  -2.896  -4.659  -1.370
  120    HG   LEU  17           HG       LEU  17   0.059  -4.285  -2.221
  121   1HD1  LEU  17          2HD1      LEU  17  -1.557  -3.668  -4.140
  122   2HD1  LEU  17          1HD1      LEU  17  -2.199  -2.430  -3.052
  123   3HD1  LEU  17          3HD1      LEU  17  -0.495  -2.459  -3.486
  124   1HD2  LEU  17          3HD2      LEU  17  -0.853  -3.469  -0.046
  125   2HD2  LEU  17          2HD2      LEU  17  -0.360  -2.173  -1.116
  126   3HD2  LEU  17          1HD2      LEU  17  -2.059  -2.565  -0.934
  127    H    GLN  18           H        GLN  18  -1.826  -8.092  -2.403
  128    HA   GLN  18           HA       GLN  18  -4.339  -8.794  -1.272
  129   1HB   GLN  18          2HB       GLN  18  -3.289  -9.802  -3.442
  130   2HB   GLN  18          1HB       GLN  18  -2.294 -10.793  -2.389
  131   1HG   GLN  18          2HG       GLN  18  -4.262 -11.835  -1.361
  132   2HG   GLN  18          1HG       GLN  18  -5.345 -10.779  -2.251
  133   1HE2  GLN  18          2HE2      GLN  18  -3.377 -13.269  -4.785
  134   2HE2  GLN  18          1HE2      GLN  18  -2.466 -12.254  -3.808
  135    H    PHE  19           H        PHE  19  -1.047  -9.440  -0.274
  136    HA   PHE  19           HA       PHE  19  -1.894 -11.331   1.802
  137   1HB   PHE  19          2HB       PHE  19   0.389 -11.700   1.982
  138   2HB   PHE  19          1HB       PHE  19   0.589 -10.653   0.605
  139    HD1  PHE  19           HD2      PHE  19   0.077 -10.280   4.288
  140    HD2  PHE  19           HD1      PHE  19   2.275  -9.015   0.874
  141    HE1  PHE  19           HE2      PHE  19   1.359  -8.817   5.671
  142    HE2  PHE  19           HE1      PHE  19   3.592  -7.497   2.279
  143    HZ   PHE  19           HZ       PHE  19   3.209  -7.423   4.683
  144    H    VAL  20           H        VAL  20  -0.826  -7.777   1.874
  145    HA   VAL  20           HA       VAL  20  -1.689  -7.486   4.534
  146    HB   VAL  20           HB       VAL  20  -1.435  -5.069   2.758
  147   1HG1  VAL  20          1HG1      VAL  20  -1.499  -5.024   5.158
  148   2HG1  VAL  20          3HG1      VAL  20  -0.081  -6.084   5.160
  149   3HG1  VAL  20          2HG1      VAL  20   0.056  -4.427   4.561
  150   1HG2  VAL  20          3HG2      VAL  20   0.760  -7.068   3.138
  151   2HG2  VAL  20          2HG2      VAL  20   0.237  -6.438   1.599
  152   3HG2  VAL  20          1HG2      VAL  20   1.150  -5.445   2.692
  153    H    CYS  21           H        CYS  21  -3.018  -5.834   1.638
  154    HA   CYS  21           HA       CYS  21  -5.287  -4.743   2.803
  155   1HB   CYS  21          2HB       CYS  21  -4.655  -4.176   0.721
  156   2HB   CYS  21          1HB       CYS  21  -4.832  -5.774   0.113
  157    H    GLY  22           H        GLY  22  -5.261  -7.695   1.095
  158   1HA   GLY  22          2HA       GLY  22  -7.258  -9.113   0.705
  159   2HA   GLY  22          1HA       GLY  22  -6.362  -9.755   2.014
  160    H    ASP  23           H        ASP  23  -8.697  -7.658   1.361
  161    HA   ASP  23           HA       ASP  23 -10.747  -8.810   3.120
  162   1HB   ASP  23          2HB       ASP  23  -9.387  -7.779   4.806
  163   2HB   ASP  23          1HB       ASP  23  -9.371  -6.266   3.956
  164    NH1  ARG  24           NH1      ARG  24  -8.301  -4.523   4.732
  165    NH2  ARG  24           NH2      ARG  24  -9.591  -3.053   5.931
  166    H    ARG  24           H        ARG  24 -10.018  -5.942   0.947
  167    HA   ARG  24           HA       ARG  24 -12.794  -6.109   0.115
  168   1HB   ARG  24          2HB       ARG  24 -13.070  -3.586   0.528
  169   2HB   ARG  24          1HB       ARG  24 -13.116  -4.564   1.978
  170   1HG   ARG  24          2HG       ARG  24 -10.453  -3.407   1.079
  171   2HG   ARG  24          1HG       ARG  24 -11.627  -2.356   1.829
  172   1HD   ARG  24          2HD       ARG  24 -11.714  -3.878   3.844
  173   2HD   ARG  24          1HD       ARG  24 -10.581  -4.931   3.057
  174    HE   ARG  24           HE       ARG  24  -9.370  -2.339   3.268
  175   1HH1  ARG  24          2HH1      ARG  24  -8.012  -4.892   3.836
  176   2HH1  ARG  24          1HH1      ARG  24  -7.862  -4.929   5.531
  177   1HH2  ARG  24          1HH2      ARG  24 -10.269  -2.317   5.941
  178   2HH2  ARG  24          2HH2      ARG  24  -9.220  -3.385   6.795
  179    H    GLY  25           H        GLY  25  -9.887  -6.370  -0.701
  180   1HA   GLY  25          2HA       GLY  25  -8.975  -6.084  -2.908
  181   2HA   GLY  25          1HA       GLY  25 -10.291  -4.914  -3.132
  182    H    PHE  26           H        PHE  26  -7.540  -4.172  -3.841
  183    HA   PHE  26           HA       PHE  26  -7.118  -1.967  -1.855
  184   1HB   PHE  26          2HB       PHE  26  -4.629  -2.383  -2.031
  185   2HB   PHE  26          1HB       PHE  26  -5.573  -3.451  -1.027
  186    HD1  PHE  26           HD1      PHE  26  -3.973  -3.146  -4.303
  187    HD2  PHE  26           HD2      PHE  26  -5.984  -5.701  -1.573
  188    HE1  PHE  26           HE1      PHE  26  -3.316  -5.056  -5.607
  189    HE2  PHE  26           HE2      PHE  26  -5.353  -7.616  -2.829
  190    HZ   PHE  26           HZ       PHE  26  -3.994  -7.364  -4.910
  191    OH   TYR  27           OH       TYR  27 -10.955   4.027  -2.213
  192    H    TYR  27           H        TYR  27  -6.336  -0.116  -2.447
  193    HA   TYR  27           HA       TYR  27  -6.307   0.524  -5.220
  194   1HB   TYR  27          2HB       TYR  27  -5.152   2.103  -2.861
  195   2HB   TYR  27          1HB       TYR  27  -5.415   2.800  -4.436
  196    HD1  TYR  27           HD1      TYR  27  -7.725   3.190  -5.262
  197    HD2  TYR  27           HD2      TYR  27  -6.975   2.076  -1.217
  198    HE1  TYR  27           HE1      TYR  27  -9.938   4.032  -4.616
  199    HE2  TYR  27           HE2      TYR  27  -9.201   2.939  -0.581
  200    HH   TYR  27           HH       TYR  27 -10.874   4.498  -1.368
  201    H    PHE  28           H        PHE  28  -4.724   0.594  -6.569
  202    HA   PHE  28           HA       PHE  28  -1.905   0.162  -5.633
  203   1HB   PHE  28          2HB       PHE  28  -1.613  -1.127  -7.805
  204   2HB   PHE  28          1HB       PHE  28  -2.767  -1.919  -6.736
  205    HD1  PHE  28           HD1      PHE  28  -5.198  -1.736  -7.171
  206    HD2  PHE  28           HD2      PHE  28  -2.353  -0.074  -9.870
  207    HE1  PHE  28           HE1      PHE  28  -6.942  -1.534  -8.886
  208    HE2  PHE  28           HE2      PHE  28  -4.096   0.122 -11.593
  209    HZ   PHE  28           HZ       PHE  28  -6.398  -0.604 -11.103
  210    H    SER  29           H        SER  29  -3.691   2.401  -6.289
  211    HA   SER  29           HA       SER  29  -1.924   4.249  -7.564
  212   1HB   SER  29          2HB       SER  29  -4.130   3.092  -9.303
  213   2HB   SER  29          1HB       SER  29  -3.590   4.755  -9.535
  214    HG   SER  29           HG       SER  29  -1.865   2.486  -9.430
  215    NH1  ARG  30           NH2      ARG  30  -4.267   4.551   1.064
  216    NH2  ARG  30           NH1      ARG  30  -6.416   3.751   0.797
  217    H    ARG  30           H        ARG  30  -2.709   5.031  -5.342
  218    HA   ARG  30           HA       ARG  30  -5.495   5.760  -5.147
  219   1HB   ARG  30          2HB       ARG  30  -3.061   6.255  -3.513
  220   2HB   ARG  30          1HB       ARG  30  -4.276   7.496  -3.393
  221   1HG   ARG  30          2HG       ARG  30  -5.960   5.520  -2.932
  222   2HG   ARG  30          1HG       ARG  30  -4.514   4.537  -2.745
  223   1HD   ARG  30          2HD       ARG  30  -3.688   5.844  -0.958
  224   2HD   ARG  30          1HD       ARG  30  -4.801   7.171  -1.276
  225    HE   ARG  30           HE       ARG  30  -6.664   5.823  -0.429
  226   1HH1  ARG  30          1HH2      ARG  30  -3.536   5.178   0.804
  227   2HH1  ARG  30          2HH2      ARG  30  -4.067   3.869   1.787
  228   1HH2  ARG  30          2HH1      ARG  30  -7.322   3.871   0.390
  229   2HH2  ARG  30          1HH1      ARG  30  -6.275   2.975   1.423
  230    HA   PRO  31           HA       PRO  31  -5.013   9.769  -7.185
  231   1HB   PRO  31          2HB       PRO  31  -7.316  11.012  -6.520
  232   2HB   PRO  31          1HB       PRO  31  -7.362   9.425  -7.243
  233   1HG   PRO  31          2HG       PRO  31  -7.431  10.082  -4.241
  234   2HG   PRO  31          1HG       PRO  31  -8.605   9.155  -5.172
  235   1HD   PRO  31          2HD       PRO  31  -6.458   7.954  -3.829
  236   2HD   PRO  31          1HD       PRO  31  -7.205   7.225  -5.267
  237    H    ALA  32           H        ALA  32  -6.256  12.043  -5.628
  238    HA   ALA  32           HA       ALA  32  -4.108  12.787  -3.734
  239   1HB   ALA  32          2HB       ALA  32  -3.780  13.875  -5.996
  240   2HB   ALA  32          1HB       ALA  32  -5.418  14.502  -5.907
  241   3HB   ALA  32          3HB       ALA  32  -4.200  15.071  -4.768
  242    H    SER  33           H        SER  33  -5.427  15.274  -3.047
  243    HA   SER  33           HA       SER  33  -8.252  14.756  -2.586
  244   1HB   SER  33          2HB       SER  33  -6.524  14.954  -0.057
  245   2HB   SER  33          1HB       SER  33  -8.214  14.519  -0.180
  246    HG   SER  33           HG       SER  33  -7.123  12.713  -1.630
  247    NH1  ARG  34           NH2      ARG  34 -10.955  18.464   4.550
  248    NH2  ARG  34           NH1      ARG  34 -12.780  19.805   4.139
  249    H    ARG  34           H        ARG  34  -8.536  16.478  -0.448
  250    HA   ARG  34           HA       ARG  34  -7.989  19.101  -1.679
  251   1HB   ARG  34          2HB       ARG  34  -9.441  19.888   0.332
  252   2HB   ARG  34          1HB       ARG  34 -10.253  18.898  -0.856
  253   1HG   ARG  34          2HG       ARG  34  -9.921  16.870   0.665
  254   2HG   ARG  34          1HG       ARG  34  -9.165  17.927   1.845
  255   1HD   ARG  34          2HD       ARG  34 -11.992  18.420   0.786
  256   2HD   ARG  34          1HD       ARG  34 -11.718  17.310   2.111
  257    HE   ARG  34           HE       ARG  34 -10.928  20.222   2.244
  258   1HH1  ARG  34          1HH2      ARG  34 -10.129  18.050   4.168
  259   2HH1  ARG  34          2HH2      ARG  34 -11.189  18.295   5.507
  260   1HH2  ARG  34          2HH1      ARG  34 -13.281  20.350   3.467
  261   2HH2  ARG  34          1HH1      ARG  34 -13.147  19.743   5.069
  262    H    VAL  35           H        VAL  35  -5.708  17.936  -1.039
  263    HA   VAL  35           HA       VAL  35  -4.666  19.514   1.214
  264    HB   VAL  35           HB       VAL  35  -4.935  16.585   0.698
  265   1HG1  VAL  35          2HG1      VAL  35  -2.386  17.544   1.899
  266   2HG1  VAL  35          1HG1      VAL  35  -3.001  15.878   1.887
  267   3HG1  VAL  35          3HG1      VAL  35  -2.604  16.677   0.374
  268   1HG2  VAL  35          1HG2      VAL  35  -6.086  17.719   2.506
  269   2HG2  VAL  35          3HG2      VAL  35  -4.984  16.512   3.146
  270   3HG2  VAL  35          2HG2      VAL  35  -4.560  18.222   3.209
  271    H    SER  36           H        SER  36  -4.664  19.663  -1.800
  272    HA   SER  36           HA       SER  36  -3.299  20.170  -3.539
  273   1HB   SER  36          2HB       SER  36  -1.778  21.300  -1.170
  274   2HB   SER  36          1HB       SER  36  -1.415  21.714  -2.864
  275    HG   SER  36           HG       SER  36  -3.098  23.034  -2.651
  276    NH1  ARG  37           NH1      ARG  37   3.671  14.968   1.720
  277    NH2  ARG  37           NH2      ARG  37   3.891  17.196   2.261
  278    H    ARG  37           H        ARG  37  -2.198  17.927  -1.705
  279    HA   ARG  37           HA       ARG  37   0.245  17.373  -3.357
  280   1HB   ARG  37          2HB       ARG  37   0.430  17.625  -0.767
  281   2HB   ARG  37          1HB       ARG  37  -0.401  16.084  -0.662
  282   1HG   ARG  37          2HG       ARG  37   1.491  14.886  -1.266
  283   2HG   ARG  37          1HG       ARG  37   1.882  15.974  -2.576
  284   1HD   ARG  37          2HD       ARG  37   3.666  16.067  -0.900
  285   2HD   ARG  37          1HD       ARG  37   2.849  17.619  -0.990
  286    HE   ARG  37           HE       ARG  37   1.475  16.662   1.059
  287   1HH1  ARG  37          2HH1      ARG  37   3.200  14.281   1.163
  288   2HH1  ARG  37          1HH1      ARG  37   4.383  14.657   2.349
  289   1HH2  ARG  37          1HH2      ARG  37   3.578  18.131   2.097
  290   2HH2  ARG  37          2HH2      ARG  37   4.619  17.049   2.931
  291    NH1  ARG  38           NH2      ARG  38  -0.149  17.493  -8.395
  292    NH2  ARG  38           NH1      ARG  38   0.043  18.605  -6.394
  293    H    ARG  38           H        ARG  38   0.499  15.023  -3.835
  294    HA   ARG  38           HA       ARG  38  -2.163  13.708  -4.218
  295   1HB   ARG  38          2HB       ARG  38   0.167  13.016  -6.001
  296   2HB   ARG  38          1HB       ARG  38  -1.528  13.076  -6.391
  297   1HG   ARG  38          2HG       ARG  38   0.227  15.552  -5.996
  298   2HG   ARG  38          1HG       ARG  38  -0.278  14.901  -7.542
  299   1HD   ARG  38          2HD       ARG  38  -2.611  15.438  -7.128
  300   2HD   ARG  38          1HD       ARG  38  -2.306  15.835  -5.447
  301    HE   ARG  38           HE       ARG  38  -2.496  17.931  -6.773
  302   1HH1  ARG  38          1HH2      ARG  38  -0.690  16.867  -8.959
  303   2HH1  ARG  38          2HH2      ARG  38   0.712  17.852  -8.754
  304   1HH2  ARG  38          2HH1      ARG  38  -0.367  18.814  -5.500
  305   2HH2  ARG  38          1HH1      ARG  38   0.923  19.021  -6.607
  306    H    SER  39           H        SER  39  -1.794  11.227  -4.527
  307    HA   SER  39           HA       SER  39   0.542  10.131  -3.139
  308   1HB   SER  39          2HB       SER  39  -1.045  11.098  -1.269
  309   2HB   SER  39          1HB       SER  39  -2.150   9.787  -1.706
  310    HG   SER  39           HG       SER  39   0.303   8.748  -1.491
  311    NH1  ARG  40           NH2      ARG  40   3.580   6.754  -7.338
  312    NH2  ARG  40           NH1      ARG  40   4.107   7.177  -9.539
  313    H    ARG  40           H        ARG  40   0.533   9.124  -5.166
  314    HA   ARG  40           HA       ARG  40  -1.506   7.670  -6.338
  315   1HB   ARG  40          2HB       ARG  40   1.113   8.431  -6.899
  316   2HB   ARG  40          1HB       ARG  40   1.223   6.698  -6.749
  317   1HG   ARG  40          2HG       ARG  40  -0.645   6.455  -8.400
  318   2HG   ARG  40          1HG       ARG  40  -0.703   8.205  -8.497
  319   1HD   ARG  40          2HD       ARG  40   0.704   7.154 -10.339
  320   2HD   ARG  40          1HD       ARG  40   1.539   8.360  -9.366
  321    HE   ARG  40           HE       ARG  40   1.933   5.382  -9.027
  322   1HH1  ARG  40          1HH2      ARG  40   2.951   6.389  -6.657
  323   2HH1  ARG  40          2HH2      ARG  40   4.450   7.120  -6.999
  324   1HH2  ARG  40          2HH1      ARG  40   3.826   7.145 -10.495
  325   2HH2  ARG  40          1HH1      ARG  40   5.028   7.537  -9.328
  326    H    GLY  41           H        GLY  41  -0.100   5.266  -6.948
  327   1HA   GLY  41          2HA       GLY  41  -1.214   3.509  -4.865
  328   2HA   GLY  41          1HA       GLY  41  -0.487   3.000  -6.399
  329    H    ILE  42           H        ILE  42   0.300   1.513  -4.457
  330    HA   ILE  42           HA       ILE  42   2.274   2.089  -2.646
  331    HB   ILE  42           HB       ILE  42   3.287  -0.272  -3.853
  332   1HG1  ILE  42          2HG1      ILE  42   1.028  -0.281  -5.103
  333   2HG1  ILE  42          1HG1      ILE  42   1.349  -1.644  -4.059
  334   1HG2  ILE  42          1HG2      ILE  42   3.392   0.325  -1.555
  335   2HG2  ILE  42          3HG2      ILE  42   1.660   0.170  -1.396
  336   3HG2  ILE  42          2HG2      ILE  42   2.627  -1.230  -1.850
  337   1HD1  ILE  42          2HD1      ILE  42  -0.088   0.794  -2.990
  338   2HD1  ILE  42          1HD1      ILE  42  -0.928  -0.572  -3.708
  339   3HD1  ILE  42          3HD1      ILE  42   0.111  -0.763  -2.300
  340    H    VAL  43           H        VAL  43   2.876   0.545  -5.528
  341    HA   VAL  43           HA       VAL  43   4.984   0.302  -6.718
  342    HB   VAL  43           HB       VAL  43   4.924   2.373  -8.399
  343   1HG1  VAL  43          1HG1      VAL  43   2.701   0.328  -7.985
  344   2HG1  VAL  43          3HG1      VAL  43   3.051   1.144  -9.508
  345   3HG1  VAL  43          2HG1      VAL  43   4.234   0.050  -8.804
  346   1HG2  VAL  43          3HG2      VAL  43   3.399   3.798  -6.919
  347   2HG2  VAL  43          2HG2      VAL  43   2.703   3.413  -8.488
  348   3HG2  VAL  43          1HG2      VAL  43   2.175   2.553  -7.057
  349    H    GLU  44           H        GLU  44   5.200   3.886  -6.198
  350    HA   GLU  44           HA       GLU  44   8.016   3.719  -6.340
  351   1HB   GLU  44          2HB       GLU  44   6.153   5.734  -5.065
  352   2HB   GLU  44          1HB       GLU  44   7.894   5.975  -5.040
  353   1HG   GLU  44          2HG       GLU  44   8.079   5.887  -7.400
  354   2HG   GLU  44          1HG       GLU  44   6.504   5.191  -7.633
  355    H    GLU  45           H        GLU  45   5.839   3.105  -3.777
  356    HA   GLU  45           HA       GLU  45   7.785   3.005  -1.645
  357   1HB   GLU  45          2HB       GLU  45   4.908   2.075  -1.851
  358   2HB   GLU  45          1HB       GLU  45   5.835   2.118  -0.361
  359   1HG   GLU  45          2HG       GLU  45   6.250   4.465  -0.631
  360   2HG   GLU  45          1HG       GLU  45   5.521   4.502  -2.211
  361    H    CYS  46           H        CYS  46   5.804   0.345  -3.123
  362    HA   CYS  46           HA       CYS  46   7.879  -1.485  -1.929
  363   1HB   CYS  46          2HB       CYS  46   5.209  -2.054  -2.197
  364   2HB   CYS  46          1HB       CYS  46   5.838  -2.581  -3.732
  365    H    CYS  47           H        CYS  47   6.933  -0.268  -5.012
  366    HA   CYS  47           HA       CYS  47   8.511  -2.274  -6.428
  367   1HB   CYS  47          2HB       CYS  47   6.535  -0.790  -7.388
  368   2HB   CYS  47          1HB       CYS  47   7.780   0.402  -7.680
  369    H    PHE  48           H        PHE  48   8.925   1.315  -5.493
  370    HA   PHE  48           HA       PHE  48  11.718   0.996  -6.243
  371   1HB   PHE  48          2HB       PHE  48   9.683   3.040  -5.792
  372   2HB   PHE  48          1HB       PHE  48  11.246   3.525  -5.435
  373    HD1  PHE  48           HD2      PHE  48  10.374   1.123  -8.190
  374    HD2  PHE  48           HD1      PHE  48  11.145   5.217  -7.249
  375    HE1  PHE  48           HE2      PHE  48  10.424   1.667 -10.569
  376    HE2  PHE  48           HE1      PHE  48  11.192   5.750  -9.626
  377    HZ   PHE  48           HZ       PHE  48  10.839   3.979 -11.309
  378    NH1  ARG  49           NH1      ARG  49   8.751   7.234  -1.549
  379    NH2  ARG  49           NH2      ARG  49  10.329   8.346  -0.299
  380    H    ARG  49           H        ARG  49   9.840   1.971  -3.145
  381    HA   ARG  49           HA       ARG  49  12.472   1.612  -1.808
  382   1HB   ARG  49          2HB       ARG  49   9.774   2.449  -0.641
  383   2HB   ARG  49          1HB       ARG  49  11.339   2.598   0.146
  384   1HG   ARG  49          2HG       ARG  49  12.141   4.074  -1.721
  385   2HG   ARG  49          1HG       ARG  49  10.524   4.048  -2.398
  386   1HD   ARG  49          2HD       ARG  49   9.644   4.961  -0.194
  387   2HD   ARG  49          1HD       ARG  49  11.315   5.116   0.346
  388    HE   ARG  49           HE       ARG  49  11.528   6.541  -1.901
  389   1HH1  ARG  49          2HH1      ARG  49   8.535   6.417  -2.087
  390   2HH1  ARG  49          1HH1      ARG  49   8.032   7.921  -1.440
  391   1HH2  ARG  49          1HH2      ARG  49  11.259   8.317   0.056
  392   2HH2  ARG  49          2HH2      ARG  49   9.743   9.121  -0.084
  393    H    SER  50           H        SER  50  11.163   0.835   0.704
  394    HA   SER  50           HA       SER  50  10.841  -2.095   0.224
  395   1HB   SER  50          2HB       SER  50  11.465  -0.815   2.949
  396   2HB   SER  50          1HB       SER  50  11.961  -2.398   2.340
  397    HG   SER  50           HG       SER  50  13.209  -0.019   2.086
  398    H    CYS  51           H        CYS  51   8.609  -2.504   0.286
  399    HA   CYS  51           HA       CYS  51   6.898  -0.447   1.447
  400   1HB   CYS  51          2HB       CYS  51   5.061  -1.884   0.839
  401   2HB   CYS  51          1HB       CYS  51   6.102  -1.471  -0.469
  402    H    ASP  52           H        ASP  52   7.698  -0.520   3.588
  403    HA   ASP  52           HA       ASP  52   7.494  -2.685   5.358
  404   1HB   ASP  52          2HB       ASP  52   6.978   0.281   5.896
  405   2HB   ASP  52          1HB       ASP  52   7.235  -0.925   7.154
  406    H    LEU  53           H        LEU  53   5.825  -3.763   6.130
  407    HA   LEU  53           HA       LEU  53   3.196  -3.554   5.132
  408   1HB   LEU  53          2HB       LEU  53   4.496  -5.513   6.455
  409   2HB   LEU  53          1HB       LEU  53   3.768  -4.759   7.864
  410    HG   LEU  53           HG       LEU  53   2.231  -5.710   5.425
  411   1HD1  LEU  53          2HD1      LEU  53   2.383  -6.992   8.198
  412   2HD1  LEU  53          1HD1      LEU  53   1.271  -7.430   6.927
  413   3HD1  LEU  53          3HD1      LEU  53   3.001  -7.705   6.714
  414   1HD2  LEU  53          3HD2      LEU  53   1.252  -4.621   8.021
  415   2HD2  LEU  53          2HD2      LEU  53   1.032  -4.002   6.385
  416   3HD2  LEU  53          1HD2      LEU  53   0.229  -5.469   6.904
  417    H    ALA  54           H        ALA  54   2.381  -1.682   5.291
  418    HA   ALA  54           HA       ALA  54   0.926  -0.626   7.509
  419   1HB   ALA  54          1HB       ALA  54   3.486   0.938   6.837
  420   2HB   ALA  54          3HB       ALA  54   2.217   1.479   7.934
  421   3HB   ALA  54          2HB       ALA  54   3.195   0.079   8.339
  422    H    LEU  55           H        LEU  55   2.916   0.408   4.734
  423    HA   LEU  55           HA       LEU  55   1.188   2.243   3.603
  424   1HB   LEU  55          2HB       LEU  55   3.509   0.459   2.776
  425   2HB   LEU  55          1HB       LEU  55   2.796   1.609   1.737
  426    HG   LEU  55           HG       LEU  55   3.939   2.328   4.459
  427   1HD1  LEU  55          1HD1      LEU  55   5.712   1.485   2.885
  428   2HD1  LEU  55          3HD1      LEU  55   5.168   2.648   1.679
  429   3HD1  LEU  55          2HD1      LEU  55   5.872   3.204   3.183
  430   1HD2  LEU  55          2HD2      LEU  55   3.120   4.087   2.076
  431   2HD2  LEU  55          1HD2      LEU  55   2.239   3.971   3.586
  432   3HD2  LEU  55          3HD2      LEU  55   3.843   4.658   3.564
  433    H    LEU  56           H        LEU  56   2.076  -1.044   2.625
  434    HA   LEU  56           HA       LEU  56   0.091  -1.590   0.790
  435   1HB   LEU  56          2HB       LEU  56   0.935  -3.385   2.995
  436   2HB   LEU  56          1HB       LEU  56   0.121  -3.951   1.573
  437    HG   LEU  56           HG       LEU  56   2.085  -4.444   0.715
  438   1HD1  LEU  56          1HD1      LEU  56   1.691  -2.527  -0.595
  439   2HD1  LEU  56          3HD1      LEU  56   2.542  -1.482   0.532
  440   3HD1  LEU  56          2HD1      LEU  56   3.416  -2.723  -0.348
  441   1HD2  LEU  56          2HD2      LEU  56   3.461  -2.700   2.815
  442   2HD2  LEU  56          1HD2      LEU  56   3.186  -4.434   2.927
  443   3HD2  LEU  56          3HD2      LEU  56   4.266  -3.801   1.722
  444    H    GLU  57           H        GLU  57  -0.163  -1.762   4.299
  445    HA   GLU  57           HA       GLU  57  -2.633  -2.915   4.460
  446   1HB   GLU  57          2HB       GLU  57  -1.806  -0.613   6.335
  447   2HB   GLU  57          1HB       GLU  57  -2.958  -1.877   6.644
  448   1HG   GLU  57          2HG       GLU  57  -1.159  -3.568   6.502
  449   2HG   GLU  57          1HG       GLU  57   0.008  -2.269   6.296
  450    H    THR  58           H        THR  58  -1.827   0.572   4.657
  451    HA   THR  58           HA       THR  58  -4.424   1.677   4.419
  452    HB   THR  58           HB       THR  58  -2.603   3.199   5.141
  453    HG1  THR  58           HG1      THR  58  -3.437   4.783   4.147
  454   1HG2  THR  58          2HG2      THR  58  -1.379   2.867   2.366
  455   2HG2  THR  58          1HG2      THR  58  -0.846   4.016   3.591
  456   3HG2  THR  58          3HG2      THR  58  -0.750   2.308   3.909
  457    OH   TYR  59           OH       TYR  59   1.145   4.282  -1.805
  458    H    TYR  59           H        TYR  59  -2.368   0.294   1.898
  459    HA   TYR  59           HA       TYR  59  -3.790   1.745  -0.206
  460   1HB   TYR  59          2HB       TYR  59  -2.061  -0.687  -0.116
  461   2HB   TYR  59          1HB       TYR  59  -2.938  -0.305  -1.602
  462    HD1  TYR  59           HD1      TYR  59  -2.843   2.221  -2.348
  463    HD2  TYR  59           HD2      TYR  59  -0.049   0.473   0.318
  464    HE1  TYR  59           HE1      TYR  59  -1.276   4.038  -2.818
  465    HE2  TYR  59           HE2      TYR  59   1.516   2.265  -0.143
  466    HH   TYR  59           HH       TYR  59   1.959   4.171  -1.280
  467    H    CYS  60           H        CYS  60  -4.640  -1.010   1.740
  468    HA   CYS  60           HA       CYS  60  -6.542  -2.267   0.105
  469   1HB   CYS  60          2HB       CYS  60  -5.729  -2.678   2.521
  470   2HB   CYS  60          1HB       CYS  60  -7.109  -1.738   2.983
  471    H    ALA  61           H        ALA  61  -8.543  -1.911  -0.518
  472    HA   ALA  61           HA       ALA  61  -9.597   0.753  -0.725
  473   1HB   ALA  61          3HB       ALA  61 -10.740  -1.930  -1.581
  474   2HB   ALA  61          2HB       ALA  61 -11.381  -0.374  -2.064
  475   3HB   ALA  61          1HB       ALA  61  -9.777  -0.859  -2.588
  476    H    THR  62           H        THR  62  -9.561   0.119   1.956
  477    HA   THR  62           HA       THR  62 -12.298  -0.577   2.739
  478    HB   THR  62           HB       THR  62 -10.806  -1.339   4.310
  479    HG1  THR  62           HG1      THR  62 -11.744   1.116   5.177
  480   1HG2  THR  62          3HG2      THR  62  -9.122   1.200   4.148
  481   2HG2  THR  62          2HG2      THR  62  -8.790  -0.144   5.214
  482   3HG2  THR  62          1HG2      THR  62  -8.643  -0.343   3.483
  483    HA   PRO  63           HA       PRO  63 -13.762   3.673   3.094
  484   1HB   PRO  63          2HB       PRO  63 -15.043   3.631   5.554
  485   2HB   PRO  63          1HB       PRO  63 -15.758   2.927   4.102
  486   1HG   PRO  63          2HG       PRO  63 -14.103   1.513   6.267
  487   2HG   PRO  63          1HG       PRO  63 -15.668   1.022   5.614
  488   1HD   PRO  63          2HD       PRO  63 -13.442  -0.125   4.652
  489   2HD   PRO  63          1HD       PRO  63 -14.706   0.360   3.503
  490    H    ALA  64           H        ALA  64 -11.514   3.994   3.125
  491    HA   ALA  64           HA       ALA  64 -10.525   5.412   5.530
  492   1HB   ALA  64          3HB       ALA  64  -9.473   3.098   5.429
  493   2HB   ALA  64          2HB       ALA  64  -8.951   3.426   3.795
  494   3HB   ALA  64          1HB       ALA  64  -8.254   4.321   5.135
  495    H    LYS  65           H        LYS  65  -8.008   6.153   4.112
  496    HA   LYS  65           HA       LYS  65  -8.778   8.382   2.782
  497   1HB   LYS  65          2HB       LYS  65  -6.586   8.190   3.653
  498   2HB   LYS  65          1HB       LYS  65  -6.351   6.606   2.952
  499   1HG   LYS  65          2HG       LYS  65  -4.984   8.256   1.872
  500   2HG   LYS  65          1HG       LYS  65  -6.095   7.446   0.790
  501   1HD   LYS  65          2HD       LYS  65  -6.149   9.707   0.122
  502   2HD   LYS  65          1HD       LYS  65  -7.659   9.426   0.953
  503   1HE   LYS  65          2HE       LYS  65  -6.869  10.482   2.979
  504   2HE   LYS  65          1HE       LYS  65  -5.233  10.647   2.347
  505   1HZ   LYS  65          1HZ       LYS  65  -7.077  11.839   0.540
  506   2HZ   LYS  65          3HZ       LYS  65  -7.334  12.498   2.082
  507   3HZ   LYS  65          2HZ       LYS  65  -5.820  12.558   1.310
  508    H    SER  66           H        SER  66 -10.060   8.451   1.224
  509    HA   SER  66           HA       SER  66  -9.524   7.246  -1.400
  510   1HB   SER  66          2HB       SER  66 -12.255   7.059   0.044
  511   2HB   SER  66          1HB       SER  66 -11.875   6.372  -1.543
  512    HG   SER  66           HG       SER  66 -11.003   5.622   1.015
  513    H    GLU  67           HN       GLU  67 -12.098   8.376  -2.335
  514    HA   GLU  67           HA       GLU  67 -11.843  11.258  -1.682
  515   1HB   GLU  67          2HB       GLU  67 -10.666  10.697  -3.930
  516   2HB   GLU  67          1HB       GLU  67 -12.195  10.050  -4.508
  517   1HG   GLU  67          2HG       GLU  67 -13.250  12.249  -4.304
  518   2HG   GLU  67          1HG       GLU  67 -11.819  12.933  -3.563
   
  Start of MODEL          10
 Raw file had  518 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          2H        ALA   1   8.014 -13.401  10.655
    2   2H    ALA   1          1H        ALA   1   8.920 -14.317  11.773
    3   3H    ALA   1          3H        ALA   1   9.535 -14.003  10.216
    4    HA   ALA   1           HA       ALA   1   8.553 -15.824   9.413
    5   1HB   ALA   1          3HB       ALA   1   8.778 -16.791  11.786
    6   2HB   ALA   1          2HB       ALA   1   7.211 -16.100  12.182
    7   3HB   ALA   1          1HB       ALA   1   7.336 -17.372  10.985
    8    OH   TYR   2           OH       TYR   2  -1.552 -14.374   7.259
    9    H    TYR   2           H        TYR   2   6.425 -16.495   8.574
   10    HA   TYR   2           HA       TYR   2   4.269 -16.134   7.749
   11   1HB   TYR   2          2HB       TYR   2   3.633 -15.636  10.263
   12   2HB   TYR   2          1HB       TYR   2   3.933 -13.942   9.934
   13    HD1  TYR   2           HD2      TYR   2   2.553 -12.729   8.211
   14    HD2  TYR   2           HD1      TYR   2   1.639 -16.719   9.415
   15    HE1  TYR   2           HE2      TYR   2   0.318 -12.514   7.258
   16    HE2  TYR   2           HE1      TYR   2  -0.598 -16.487   8.455
   17    HH   TYR   2           HH       TYR   2  -1.504 -13.801   6.489
   18    NH1  ARG   3           NH2      ARG   3   3.949  -9.716  12.656
   19    NH2  ARG   3           NH1      ARG   3   2.464  -8.206  11.791
   20    H    ARG   3           H        ARG   3   5.328 -12.968   8.998
   21    HA   ARG   3           HA       ARG   3   5.512 -11.998   6.172
   22   1HB   ARG   3          2HB       ARG   3   5.250  -9.741   7.137
   23   2HB   ARG   3          1HB       ARG   3   3.850 -10.730   7.448
   24   1HG   ARG   3          2HG       ARG   3   4.637 -11.061   9.821
   25   2HG   ARG   3          1HG       ARG   3   6.075 -10.105   9.463
   26   1HD   ARG   3          2HD       ARG   3   4.634  -8.185   8.776
   27   2HD   ARG   3          1HD       ARG   3   3.198  -9.081   9.256
   28    HE   ARG   3           HE       ARG   3   5.236  -7.910  11.074
   29   1HH1  ARG   3          1HH2      ARG   3   4.840 -10.163  12.581
   30   2HH1  ARG   3          2HH2      ARG   3   3.333  -9.978  13.398
   31   1HH2  ARG   3          2HH1      ARG   3   2.291  -7.511  11.091
   32   2HH2  ARG   3          1HH1      ARG   3   1.746  -8.398  12.454
   33    HA   PRO   4           HA       PRO   4   9.738 -10.948   7.415
   34   1HB   PRO   4          2HB       PRO   4  11.055 -11.565   5.164
   35   2HB   PRO   4          1HB       PRO   4  10.373 -12.895   6.102
   36   1HG   PRO   4          2HG       PRO   4   9.127 -11.438   3.733
   37   2HG   PRO   4          1HG       PRO   4   9.344 -13.175   3.882
   38   1HD   PRO   4          2HD       PRO   4   6.989 -11.811   4.583
   39   2HD   PRO   4          1HD       PRO   4   7.473 -13.365   5.305
   40    H    SER   5           H        SER   5  10.987  -9.722   4.996
   41    HA   SER   5           HA       SER   5   9.226  -7.450   4.420
   42   1HB   SER   5          2HB       SER   5  12.018  -7.350   5.470
   43   2HB   SER   5          1HB       SER   5  10.994  -5.930   5.080
   44    HG   SER   5           HG       SER   5   9.709  -6.406   6.792
   45    H    GLU   6           H        GLU   6   9.128  -7.655   2.217
   46    HA   GLU   6           HA       GLU   6  11.677  -7.623   0.661
   47   1HB   GLU   6          2HB       GLU   6  10.169  -8.803  -1.159
   48   2HB   GLU   6          1HB       GLU   6  10.658  -9.775   0.213
   49   1HG   GLU   6          2HG       GLU   6   8.035  -8.272   0.402
   50   2HG   GLU   6          1HG       GLU   6   8.082  -9.767  -0.500
   51    H    THR   7           H        THR   7  11.599  -6.219  -1.294
   52    HA   THR   7           HA       THR   7   9.730  -3.974  -0.932
   53    HB   THR   7           HB       THR   7  11.171  -3.072  -2.932
   54    HG1  THR   7           HG1      THR   7  12.190  -4.755  -3.773
   55   1HG2  THR   7          1HG2      THR   7  11.777  -2.617  -0.452
   56   2HG2  THR   7          3HG2      THR   7  12.714  -4.102  -0.473
   57   3HG2  THR   7          2HG2      THR   7  13.191  -2.750  -1.488
   58    H    LEU   8           H        LEU   8  10.257  -6.655  -2.971
   59    HA   LEU   8           HA       LEU   8   9.050  -7.548  -4.798
   60   1HB   LEU   8          2HB       LEU   8   6.768  -5.727  -3.984
   61   2HB   LEU   8          1HB       LEU   8   6.679  -7.362  -4.648
   62    HG   LEU   8           HG       LEU   8   8.003  -7.678  -2.139
   63   1HD1  LEU   8          1HD1      LEU   8   5.605  -5.786  -1.873
   64   2HD1  LEU   8          3HD1      LEU   8   6.454  -6.553  -0.540
   65   3HD1  LEU   8          2HD1      LEU   8   7.246  -5.325  -1.489
   66   1HD2  LEU   8          3HD2      LEU   8   6.275  -9.169  -3.157
   67   2HD2  LEU   8          2HD2      LEU   8   5.917  -8.776  -1.482
   68   3HD2  LEU   8          1HD2      LEU   8   5.045  -7.976  -2.772
   69    H    CYS   9           H        CYS   9   7.149  -6.390  -6.472
   70    HA   CYS   9           HA       CYS   9   7.786  -3.739  -7.303
   71   1HB   CYS   9          2HB       CYS   9   9.675  -5.699  -8.206
   72   2HB   CYS   9          1HB       CYS   9   8.909  -4.984  -9.602
   73    H    GLY  10           H        GLY  10   6.306  -6.672  -8.374
   74   1HA   GLY  10          2HA       GLY  10   4.042  -5.481  -9.519
   75   2HA   GLY  10          1HA       GLY  10   5.210  -5.681 -10.849
   76    H    GLY  11           H        GLY  11   2.907  -7.270 -10.899
   77   1HA   GLY  11          2HA       GLY  11   2.218  -9.516 -11.082
   78   2HA   GLY  11          1HA       GLY  11   3.943  -9.935 -11.086
   79    H    GLU  12           H        GLU  12   4.963  -9.880  -9.009
   80    HA   GLU  12           HA       GLU  12   3.562 -11.393  -6.977
   81   1HB   GLU  12          2HB       GLU  12   5.919 -11.843  -7.669
   82   2HB   GLU  12          1HB       GLU  12   6.386 -10.232  -7.168
   83   1HG   GLU  12          2HG       GLU  12   5.861 -10.787  -4.817
   84   2HG   GLU  12          1HG       GLU  12   5.350 -12.396  -5.310
   85    H    LEU  13           H        LEU  13   4.983  -8.134  -7.278
   86    HA   LEU  13           HA       LEU  13   4.522  -7.318  -4.604
   87   1HB   LEU  13          2HB       LEU  13   5.672  -5.613  -5.610
   88   2HB   LEU  13          1HB       LEU  13   4.886  -5.742  -7.136
   89    HG   LEU  13           HG       LEU  13   3.351  -4.516  -4.829
   90   1HD1  LEU  13          3HD1      LEU  13   5.375  -3.088  -6.613
   91   2HD1  LEU  13          2HD1      LEU  13   4.271  -2.374  -5.455
   92   3HD1  LEU  13          1HD1      LEU  13   5.590  -3.383  -4.888
   93   1HD2  LEU  13          2HD2      LEU  13   3.570  -3.898  -7.823
   94   2HD2  LEU  13          1HD2      LEU  13   2.281  -4.862  -7.125
   95   3HD2  LEU  13          3HD2      LEU  13   2.441  -3.176  -6.694
   96    H    VAL  14           H        VAL  14   2.069  -7.203  -7.185
   97    HA   VAL  14           HA       VAL  14   0.223  -5.691  -5.633
   98    HB   VAL  14           HB       VAL  14  -0.041  -6.214  -8.063
   99   1HG1  VAL  14          1HG1      VAL  14  -0.599  -9.062  -7.204
  100   2HG1  VAL  14          3HG1      VAL  14  -0.814  -8.421  -8.823
  101   3HG1  VAL  14          2HG1      VAL  14   0.775  -8.456  -8.102
  102   1HG2  VAL  14          1HG2      VAL  14  -2.403  -7.226  -6.459
  103   2HG2  VAL  14          3HG2      VAL  14  -2.058  -5.556  -6.898
  104   3HG2  VAL  14          2HG2      VAL  14  -2.447  -6.734  -8.143
  105    H    ASP  15           H        ASP  15   1.322  -8.984  -5.310
  106    HA   ASP  15           HA       ASP  15  -0.856  -9.974  -3.733
  107   1HB   ASP  15          2HB       ASP  15   0.915 -11.513  -4.647
  108   2HB   ASP  15          1HB       ASP  15   2.090 -10.765  -3.576
  109    H    THR  16           H        THR  16   1.883  -7.925  -3.051
  110    HA   THR  16           HA       THR  16   2.056  -8.157  -0.270
  111    HB   THR  16           HB       THR  16   3.587  -6.609  -1.660
  112    HG1  THR  16           HG1      THR  16   3.906  -5.916   0.309
  113   1HG2  THR  16          3HG2      THR  16   1.686  -5.087  -2.736
  114   2HG2  THR  16          2HG2      THR  16   1.436  -4.479  -1.118
  115   3HG2  THR  16          1HG2      THR  16   2.988  -4.273  -1.900
  116    H    LEU  17           H        LEU  17  -0.097  -6.088  -2.193
  117    HA   LEU  17           HA       LEU  17  -1.612  -5.241   0.120
  118   1HB   LEU  17          2HB       LEU  17  -2.540  -5.486  -2.644
  119   2HB   LEU  17          1HB       LEU  17  -3.159  -4.349  -1.455
  120    HG   LEU  17           HG       LEU  17  -0.284  -4.173  -2.540
  121   1HD1  LEU  17          2HD1      LEU  17  -1.965  -3.635  -4.183
  122   2HD1  LEU  17          1HD1      LEU  17  -2.667  -2.462  -3.042
  123   3HD1  LEU  17          3HD1      LEU  17  -1.038  -2.225  -3.650
  124   1HD2  LEU  17          3HD2      LEU  17  -2.007  -2.266  -0.989
  125   2HD2  LEU  17          2HD2      LEU  17  -0.705  -3.218  -0.296
  126   3HD2  LEU  17          1HD2      LEU  17  -0.343  -1.978  -1.475
  127    H    GLN  18           H        GLN  18  -1.969  -7.873  -2.317
  128    HA   GLN  18           HA       GLN  18  -4.549  -8.633  -1.503
  129   1HB   GLN  18          2HB       GLN  18  -3.246  -9.779  -3.412
  130   2HB   GLN  18          1HB       GLN  18  -2.193 -10.499  -2.216
  131   1HG   GLN  18          2HG       GLN  18  -5.166 -11.118  -2.190
  132   2HG   GLN  18          1HG       GLN  18  -4.008 -12.043  -3.137
  133   1HE2  GLN  18          2HE2      GLN  18  -4.384 -13.514   0.354
  134   2HE2  GLN  18          1HE2      GLN  18  -5.588 -13.005  -0.731
  135    H    PHE  19           H        PHE  19  -1.526  -9.873  -0.167
  136    HA   PHE  19           HA       PHE  19  -2.888 -11.256   1.955
  137   1HB   PHE  19          2HB       PHE  19  -0.754 -11.976   2.559
  138   2HB   PHE  19          1HB       PHE  19  -0.388 -11.441   0.938
  139    HD1  PHE  19           HD2      PHE  19  -0.380 -10.386   4.471
  140    HD2  PHE  19           HD1      PHE  19   1.240  -9.707   0.611
  141    HE1  PHE  19           HE2      PHE  19   1.206  -8.860   5.434
  142    HE2  PHE  19           HE1      PHE  19   2.884  -8.097   1.627
  143    HZ   PHE  19           HZ       PHE  19   2.915  -7.732   4.007
  144    H    VAL  20           H        VAL  20  -1.488  -7.850   1.784
  145    HA   VAL  20           HA       VAL  20  -2.050  -7.425   4.531
  146    HB   VAL  20           HB       VAL  20  -1.412  -5.703   2.098
  147   1HG1  VAL  20          3HG1      VAL  20  -1.687  -5.028   4.984
  148   2HG1  VAL  20          2HG1      VAL  20  -0.910  -4.022   3.767
  149   3HG1  VAL  20          1HG1      VAL  20  -2.631  -4.413   3.614
  150   1HG2  VAL  20          3HG2      VAL  20   0.260  -6.556   4.476
  151   2HG2  VAL  20          2HG2      VAL  20   0.337  -7.173   2.843
  152   3HG2  VAL  20          1HG2      VAL  20   0.795  -5.519   3.144
  153    H    CYS  21           H        CYS  21  -3.439  -5.806   1.636
  154    HA   CYS  21           HA       CYS  21  -5.719  -4.815   2.858
  155   1HB   CYS  21          2HB       CYS  21  -4.993  -4.107   0.734
  156   2HB   CYS  21          1HB       CYS  21  -5.214  -5.652   0.084
  157    H    GLY  22           H        GLY  22  -5.508  -7.802   1.004
  158   1HA   GLY  22          2HA       GLY  22  -6.818  -9.755   1.171
  159   2HA   GLY  22          1HA       GLY  22  -7.506  -9.099   2.655
  160    H    ASP  23           H        ASP  23  -9.351 -10.051   1.809
  161    HA   ASP  23           HA       ASP  23 -10.928  -9.700  -0.361
  162   1HB   ASP  23          2HB       ASP  23 -11.635 -10.176   2.539
  163   2HB   ASP  23          1HB       ASP  23 -12.774 -10.376   1.224
  164    NH1  ARG  24           NH1      ARG  24 -13.577  -3.360   4.142
  165    NH2  ARG  24           NH2      ARG  24 -13.583  -2.031   2.286
  166    H    ARG  24           H        ARG  24 -10.276  -7.090  -0.300
  167    HA   ARG  24           HA       ARG  24 -12.900  -5.756  -0.046
  168   1HB   ARG  24          2HB       ARG  24 -10.240  -4.497   0.801
  169   2HB   ARG  24          1HB       ARG  24 -11.813  -3.724   0.834
  170   1HG   ARG  24          2HG       ARG  24 -12.552  -5.428   2.550
  171   2HG   ARG  24          1HG       ARG  24 -10.941  -6.108   2.490
  172   1HD   ARG  24          2HD       ARG  24 -11.048  -4.504   4.368
  173   2HD   ARG  24          1HD       ARG  24  -9.908  -4.047   3.149
  174    HE   ARG  24           HE       ARG  24 -11.081  -1.989   3.029
  175   1HH1  ARG  24          2HH1      ARG  24 -13.043  -3.896   4.795
  176   2HH1  ARG  24          1HH1      ARG  24 -14.569  -3.335   4.241
  177   1HH2  ARG  24          1HH2      ARG  24 -13.072  -1.558   1.560
  178   2HH2  ARG  24          2HH2      ARG  24 -14.578  -1.943   2.271
  179    H    GLY  25           H        GLY  25  -9.590  -5.908  -1.036
  180   1HA   GLY  25          2HA       GLY  25  -8.877  -5.777  -3.340
  181   2HA   GLY  25          1HA       GLY  25 -10.308  -4.778  -3.678
  182    H    PHE  26           H        PHE  26  -7.316  -4.276  -3.773
  183    HA   PHE  26           HA       PHE  26  -7.091  -1.863  -1.990
  184   1HB   PHE  26          2HB       PHE  26  -4.601  -2.308  -2.488
  185   2HB   PHE  26          1HB       PHE  26  -5.446  -3.172  -1.224
  186    HD1  PHE  26           HD1      PHE  26  -6.210  -5.431  -1.542
  187    HD2  PHE  26           HD2      PHE  26  -4.063  -3.483  -4.626
  188    HE1  PHE  26           HE1      PHE  26  -5.863  -7.536  -2.543
  189    HE2  PHE  26           HE2      PHE  26  -3.693  -5.605  -5.684
  190    HZ   PHE  26           HZ       PHE  26  -4.570  -7.709  -4.689
  191    OH   TYR  27           OH       TYR  27  -6.951   3.622   1.069
  192    H    TYR  27           H        TYR  27  -6.322  -0.023  -2.690
  193    HA   TYR  27           HA       TYR  27  -6.098   0.333  -5.620
  194   1HB   TYR  27          2HB       TYR  27  -6.658   2.797  -4.996
  195   2HB   TYR  27          1HB       TYR  27  -7.941   1.671  -4.632
  196    HD1  TYR  27           HD2      TYR  27  -4.876   3.083  -2.898
  197    HD2  TYR  27           HD1      TYR  27  -8.934   1.844  -2.550
  198    HE1  TYR  27           HE2      TYR  27  -4.898   3.795  -0.555
  199    HE2  TYR  27           HE1      TYR  27  -8.926   2.573  -0.210
  200    HH   TYR  27           HH       TYR  27  -6.469   2.943   1.560
  201    H    PHE  28           H        PHE  28  -4.665   2.167  -6.088
  202    HA   PHE  28           HA       PHE  28  -2.074   1.712  -4.767
  203   1HB   PHE  28          2HB       PHE  28  -2.629   3.206  -7.360
  204   2HB   PHE  28          1HB       PHE  28  -1.117   2.466  -6.889
  205    HD1  PHE  28           HD1      PHE  28  -2.066  -0.257  -5.939
  206    HD2  PHE  28           HD2      PHE  28  -3.281   2.069  -9.312
  207    HE1  PHE  28           HE1      PHE  28  -2.775  -2.293  -7.100
  208    HE2  PHE  28           HE2      PHE  28  -3.985   0.024 -10.453
  209    HZ   PHE  28           HZ       PHE  28  -3.736  -2.159  -9.358
  210    H    SER  29           H        SER  29  -4.516   3.974  -4.809
  211    HA   SER  29           HA       SER  29  -4.620   6.310  -4.311
  212   1HB   SER  29          2HB       SER  29  -3.506   4.737  -2.075
  213   2HB   SER  29          1HB       SER  29  -2.990   6.421  -1.997
  214    HG   SER  29           HG       SER  29  -5.543   5.310  -1.882
  215    NH1  ARG  30           NH2      ARG  30   2.554   6.039  -8.211
  216    NH2  ARG  30           NH1      ARG  30   2.468   4.950 -10.213
  217    H    ARG  30           H        ARG  30  -3.474   6.801  -6.227
  218    HA   ARG  30           HA       ARG  30  -1.298   8.664  -5.782
  219   1HB   ARG  30          2HB       ARG  30   0.100   7.455  -7.662
  220   2HB   ARG  30          1HB       ARG  30   0.242   7.063  -5.988
  221   1HG   ARG  30          2HG       ARG  30  -0.229   4.845  -6.552
  222   2HG   ARG  30          1HG       ARG  30  -1.833   5.288  -6.945
  223   1HD   ARG  30          2HD       ARG  30  -1.142   4.494  -9.071
  224   2HD   ARG  30          1HD       ARG  30  -0.422   6.085  -9.247
  225    HE   ARG  30           HE       ARG  30   1.051   3.612  -8.338
  226   1HH1  ARG  30          1HH2      ARG  30   2.205   6.202  -7.282
  227   2HH1  ARG  30          2HH2      ARG  30   3.365   6.562  -8.501
  228   1HH2  ARG  30          2HH1      ARG  30   2.056   4.273 -10.818
  229   2HH2  ARG  30          1HH1      ARG  30   3.276   5.467 -10.527
  230    HA   PRO  31           HA       PRO  31  -3.930   9.601  -9.529
  231   1HB   PRO  31          2HB       PRO  31  -5.603  11.481  -8.541
  232   2HB   PRO  31          1HB       PRO  31  -5.837   9.803  -8.097
  233   1HG   PRO  31          2HG       PRO  31  -4.276  11.924  -6.516
  234   2HG   PRO  31          1HG       PRO  31  -5.617  10.924  -5.950
  235   1HD   PRO  31          2HD       PRO  31  -2.991  10.181  -5.565
  236   2HD   PRO  31          1HD       PRO  31  -4.281   8.977  -5.800
  237    H    ALA  32           H        ALA  32  -4.427  12.579  -9.281
  238    HA   ALA  32           HA       ALA  32  -1.638  13.460  -9.902
  239   1HB   ALA  32          2HB       ALA  32  -4.291  14.627 -10.866
  240   2HB   ALA  32          1HB       ALA  32  -2.707  15.215 -11.330
  241   3HB   ALA  32          3HB       ALA  32  -3.224  13.621 -11.841
  242    H    SER  33           H        SER  33  -1.433  15.891  -9.541
  243    HA   SER  33           HA       SER  33  -2.963  17.058  -7.335
  244   1HB   SER  33          2HB       SER  33   0.047  16.773  -6.913
  245   2HB   SER  33          1HB       SER  33  -1.196  17.063  -5.694
  246    HG   SER  33           HG       SER  33  -2.034  14.914  -6.592
  247    NH1  ARG  34           NH1      ARG  34  -6.129  23.424  -9.920
  248    NH2  ARG  34           NH2      ARG  34  -7.149  22.593  -8.030
  249    H    ARG  34           H        ARG  34  -1.030  19.078  -6.808
  250    HA   ARG  34           HA       ARG  34  -0.630  20.184  -9.554
  251   1HB   ARG  34          2HB       ARG  34  -1.532  21.651  -7.030
  252   2HB   ARG  34          1HB       ARG  34  -1.219  22.428  -8.573
  253   1HG   ARG  34          2HG       ARG  34  -2.906  20.981  -9.679
  254   2HG   ARG  34          1HG       ARG  34  -3.228  20.156  -8.163
  255   1HD   ARG  34          2HD       ARG  34  -4.036  22.245  -7.147
  256   2HD   ARG  34          1HD       ARG  34  -3.656  23.127  -8.625
  257    HE   ARG  34           HE       ARG  34  -5.393  20.808  -9.100
  258   1HH1  ARG  34          2HH1      ARG  34  -5.354  23.336 -10.546
  259   2HH1  ARG  34          1HH1      ARG  34  -6.811  24.133 -10.089
  260   1HH2  ARG  34          1HH2      ARG  34  -7.111  21.919  -7.291
  261   2HH2  ARG  34          2HH2      ARG  34  -7.915  23.232  -8.057
  262    H    VAL  35           H        VAL  35   1.169  19.033  -7.343
  263    HA   VAL  35           HA       VAL  35   3.159  21.151  -7.201
  264    HB   VAL  35           HB       VAL  35   2.810  19.979  -5.126
  265   1HG1  VAL  35          2HG1      VAL  35   2.723  17.316  -6.649
  266   2HG1  VAL  35          1HG1      VAL  35   2.647  17.489  -4.907
  267   3HG1  VAL  35          3HG1      VAL  35   1.349  18.105  -5.874
  268   1HG2  VAL  35          2HG2      VAL  35   5.155  19.976  -5.699
  269   2HG2  VAL  35          1HG2      VAL  35   4.703  18.579  -4.708
  270   3HG2  VAL  35          3HG2      VAL  35   4.965  18.377  -6.440
  271    H    SER  36           H        SER  36   2.116  19.425  -9.470
  272    HA   SER  36           HA       SER  36   2.736  18.418 -11.394
  273   1HB   SER  36          2HB       SER  36   5.024  20.351 -10.921
  274   2HB   SER  36          1HB       SER  36   4.666  19.552 -12.470
  275    HG   SER  36           HG       SER  36   3.323  21.585 -11.220
  276    NH1  ARG  37           NH1      ARG  37  11.783  17.823  -8.215
  277    NH2  ARG  37           NH2      ARG  37  10.678  18.739  -6.428
  278    H    ARG  37           H        ARG  37   4.385  17.604  -8.919
  279    HA   ARG  37           HA       ARG  37   5.978  15.462 -10.275
  280   1HB   ARG  37          2HB       ARG  37   6.584  16.918  -7.657
  281   2HB   ARG  37          1HB       ARG  37   7.528  15.590  -8.309
  282   1HG   ARG  37          2HG       ARG  37   8.266  16.880 -10.209
  283   2HG   ARG  37          1HG       ARG  37   7.004  18.075  -9.996
  284   1HD   ARG  37          2HD       ARG  37   9.154  18.994  -9.286
  285   2HD   ARG  37          1HD       ARG  37   8.041  18.893  -7.932
  286    HE   ARG  37           HE       ARG  37   9.416  16.512  -7.692
  287   1HH1  ARG  37          2HH1      ARG  37  11.724  17.245  -9.029
  288   2HH1  ARG  37          1HH1      ARG  37  12.663  18.232  -7.976
  289   1HH2  ARG  37          1HH2      ARG  37   9.808  18.821  -5.941
  290   2HH2  ARG  37          2HH2      ARG  37  11.483  19.214  -6.070
  291    NH1  ARG  38           NH2      ARG  38   3.549  12.691 -13.698
  292    NH2  ARG  38           NH1      ARG  38   4.213  14.762 -12.968
  293    H    ARG  38           H        ARG  38   5.721  13.429  -9.414
  294    HA   ARG  38           HA       ARG  38   3.539  13.049  -7.407
  295   1HB   ARG  38          2HB       ARG  38   4.438  10.699  -9.078
  296   2HB   ARG  38          1HB       ARG  38   2.818  11.222  -8.707
  297   1HG   ARG  38          2HG       ARG  38   4.639  12.421 -10.856
  298   2HG   ARG  38          1HG       ARG  38   3.322  11.308 -11.123
  299   1HD   ARG  38          2HD       ARG  38   1.702  13.004 -10.197
  300   2HD   ARG  38          1HD       ARG  38   3.001  14.159 -10.048
  301    HE   ARG  38           HE       ARG  38   1.555  13.992 -12.352
  302   1HH1  ARG  38          1HH2      ARG  38   2.905  11.931 -13.591
  303   2HH1  ARG  38          2HH2      ARG  38   4.261  12.622 -14.398
  304   1HH2  ARG  38          2HH1      ARG  38   4.080  15.541 -12.351
  305   2HH2  ARG  38          1HH1      ARG  38   4.977  14.837 -13.607
  306    H    SER  39           H        SER  39   4.449  10.227  -7.057
  307    HA   SER  39           HA       SER  39   6.860   9.395  -6.430
  308   1HB   SER  39          2HB       SER  39   7.574  11.552  -5.381
  309   2HB   SER  39          1HB       SER  39   6.263  11.416  -4.195
  310    HG   SER  39           HG       SER  39   7.603   9.128  -4.172
  311    NH1  ARG  40           NH1      ARG  40   3.574  10.673   1.019
  312    NH2  ARG  40           NH2      ARG  40   4.060   8.714   2.075
  313    H    ARG  40           H        ARG  40   3.695   9.858  -4.855
  314    HA   ARG  40           HA       ARG  40   4.164   7.529  -3.199
  315   1HB   ARG  40          2HB       ARG  40   2.775   9.985  -2.911
  316   2HB   ARG  40          1HB       ARG  40   1.527   8.775  -3.036
  317   1HG   ARG  40          2HG       ARG  40   2.958   7.454  -1.320
  318   2HG   ARG  40          1HG       ARG  40   3.840   8.974  -1.163
  319   1HD   ARG  40          2HD       ARG  40   1.503  10.105  -0.740
  320   2HD   ARG  40          1HD       ARG  40   0.841   8.487  -0.640
  321    HE   ARG  40           HE       ARG  40   1.488   8.576   1.600
  322   1HH1  ARG  40          2HH1      ARG  40   2.917  11.182   0.462
  323   2HH1  ARG  40          1HH1      ARG  40   4.428  11.122   1.281
  324   1HH2  ARG  40          1HH2      ARG  40   3.794   7.780   2.309
  325   2HH2  ARG  40          2HH2      ARG  40   4.939   9.060   2.398
  326    H    GLY  41           H        GLY  41   2.117   6.411  -2.689
  327   1HA   GLY  41          2HA       GLY  41   0.439   4.945  -3.213
  328   2HA   GLY  41          1HA       GLY  41   0.361   5.597  -4.828
  329    H    ILE  42           H        ILE  42   0.227   2.896  -4.585
  330    HA   ILE  42           HA       ILE  42   2.385   1.406  -4.308
  331    HB   ILE  42           HB       ILE  42  -0.209   1.230  -5.515
  332   1HG1  ILE  42          2HG1      ILE  42   0.201  -1.197  -5.329
  333   2HG1  ILE  42          1HG1      ILE  42   1.863  -0.802  -4.869
  334   1HG2  ILE  42          2HG2      ILE  42   1.723  -0.054  -7.450
  335   2HG2  ILE  42          1HG2      ILE  42  -0.006  -0.271  -7.457
  336   3HG2  ILE  42          3HG2      ILE  42   0.663   1.301  -7.815
  337   1HD1  ILE  42          2HD1      ILE  42   0.940   0.642  -3.026
  338   2HD1  ILE  42          1HD1      ILE  42  -0.671   0.126  -3.507
  339   3HD1  ILE  42          3HD1      ILE  42   0.501  -1.045  -2.922
  340    H    VAL  43           H        VAL  43   3.376   0.132  -5.760
  341    HA   VAL  43           HA       VAL  43   5.242  -0.394  -6.905
  342    HB   VAL  43           HB       VAL  43   5.379   0.559  -9.274
  343   1HG1  VAL  43          3HG1      VAL  43   3.047  -1.160  -8.370
  344   2HG1  VAL  43          2HG1      VAL  43   3.608  -1.039 -10.029
  345   3HG1  VAL  43          1HG1      VAL  43   4.665  -1.658  -8.784
  346   1HG2  VAL  43          1HG2      VAL  43   3.873   2.523  -9.147
  347   2HG2  VAL  43          3HG2      VAL  43   3.303   1.353 -10.324
  348   3HG2  VAL  43          2HG2      VAL  43   2.523   1.465  -8.765
  349    H    GLU  44           H        GLU  44   4.848   3.183  -7.584
  350    HA   GLU  44           HA       GLU  44   7.675   3.543  -7.663
  351   1HB   GLU  44          2HB       GLU  44   5.310   5.312  -7.060
  352   2HB   GLU  44          1HB       GLU  44   6.929   5.980  -6.855
  353   1HG   GLU  44          2HG       GLU  44   7.512   5.377  -9.132
  354   2HG   GLU  44          1HG       GLU  44   6.050   4.453  -9.351
  355    H    GLU  45           H        GLU  45   5.381   3.739  -4.919
  356    HA   GLU  45           HA       GLU  45   7.644   4.083  -3.124
  357   1HB   GLU  45          2HB       GLU  45   5.931   3.652  -1.342
  358   2HB   GLU  45          1HB       GLU  45   5.426   4.891  -2.485
  359   1HG   GLU  45          2HG       GLU  45   4.361   2.797  -3.610
  360   2HG   GLU  45          1HG       GLU  45   4.782   2.015  -2.092
  361    H    CYS  46           H        CYS  46   5.471   1.267  -3.749
  362    HA   CYS  46           HA       CYS  46   7.190  -0.407  -2.099
  363   1HB   CYS  46          2HB       CYS  46   4.722  -0.793  -2.400
  364   2HB   CYS  46          1HB       CYS  46   5.031  -1.262  -4.045
  365    H    CYS  47           H        CYS  47   6.606  -0.463  -5.604
  366    HA   CYS  47           HA       CYS  47   8.600  -2.467  -6.046
  367   1HB   CYS  47          2HB       CYS  47   6.969  -1.920  -7.883
  368   2HB   CYS  47          1HB       CYS  47   7.657  -0.344  -8.022
  369    H    PHE  48           H        PHE  48   8.805   1.299  -6.503
  370    HA   PHE  48           HA       PHE  48  11.595   0.968  -6.777
  371   1HB   PHE  48          2HB       PHE  48   9.595   3.213  -6.946
  372   2HB   PHE  48          1HB       PHE  48  11.253   3.383  -7.092
  373    HD1  PHE  48           HD1      PHE  48   8.301   1.671  -8.443
  374    HD2  PHE  48           HD2      PHE  48  12.284   2.917  -9.286
  375    HE1  PHE  48           HE1      PHE  48   7.956   1.107 -10.779
  376    HE2  PHE  48           HE2      PHE  48  11.944   2.347 -11.636
  377    HZ   PHE  48           HZ       PHE  48   9.797   1.434 -12.406
  378    NH1  ARG  49           NH2      ARG  49   9.646   6.356  -0.050
  379    NH2  ARG  49           NH1      ARG  49  10.584   8.456  -0.136
  380    H    ARG  49           H        ARG  49   9.443   2.441  -4.079
  381    HA   ARG  49           HA       ARG  49  12.083   3.108  -2.868
  382   1HB   ARG  49          2HB       ARG  49   9.316   3.845  -1.990
  383   2HB   ARG  49          1HB       ARG  49  10.848   4.371  -1.269
  384   1HG   ARG  49          2HG       ARG  49  11.562   5.159  -3.639
  385   2HG   ARG  49          1HG       ARG  49   9.934   4.852  -4.161
  386   1HD   ARG  49          2HD       ARG  49  10.289   7.242  -3.689
  387   2HD   ARG  49          1HD       ARG  49   9.071   6.586  -2.612
  388    HE   ARG  49           HE       ARG  49  11.962   6.929  -1.811
  389   1HH1  ARG  49          1HH2      ARG  49   9.567   5.473  -0.507
  390   2HH1  ARG  49          2HH2      ARG  49   9.152   6.504   0.803
  391   1HH2  ARG  49          2HH1      ARG  49  11.174   9.091  -0.634
  392   2HH2  ARG  49          1HH1      ARG  49  10.161   8.767   0.714
  393    H    SER  50           H        SER  50   9.449   2.065  -1.315
  394    HA   SER  50           HA       SER  50  10.521  -0.373  -0.170
  395   1HB   SER  50          2HB       SER  50  11.861   1.319   1.142
  396   2HB   SER  50          1HB       SER  50  10.349   2.043   1.721
  397    HG   SER  50           HG       SER  50  11.571  -0.280   2.503
  398    H    CYS  51           H        CYS  51   9.163  -1.372   1.338
  399    HA   CYS  51           HA       CYS  51   6.536  -0.344   1.933
  400   1HB   CYS  51          2HB       CYS  51   5.360  -2.073   0.432
  401   2HB   CYS  51          1HB       CYS  51   5.984  -0.638  -0.311
  402    H    ASP  52           H        ASP  52   7.844  -1.244   3.912
  403    HA   ASP  52           HA       ASP  52   7.711  -4.136   4.310
  404   1HB   ASP  52          2HB       ASP  52   9.138  -2.548   5.804
  405   2HB   ASP  52          1HB       ASP  52   7.635  -1.967   6.514
  406    H    LEU  53           H        LEU  53   5.984  -4.837   6.257
  407    HA   LEU  53           HA       LEU  53   3.431  -4.292   5.029
  408   1HB   LEU  53          2HB       LEU  53   4.211  -6.259   6.701
  409   2HB   LEU  53          1HB       LEU  53   3.446  -5.221   7.900
  410    HG   LEU  53           HG       LEU  53   2.191  -6.083   5.272
  411   1HD1  LEU  53          1HD1      LEU  53   1.514  -7.009   8.109
  412   2HD1  LEU  53          3HD1      LEU  53   0.633  -7.457   6.671
  413   3HD1  LEU  53          2HD1      LEU  53   2.296  -8.010   6.878
  414   1HD2  LEU  53          1HD2      LEU  53   0.933  -4.567   7.545
  415   2HD2  LEU  53          3HD2      LEU  53   1.218  -4.020   5.893
  416   3HD2  LEU  53          2HD2      LEU  53   0.063  -5.287   6.206
  417    H    ALA  54           H        ALA  54   3.139  -2.140   4.935
  418    HA   ALA  54           HA       ALA  54   1.982  -0.855   7.328
  419   1HB   ALA  54          3HB       ALA  54   4.455   0.341   5.986
  420   2HB   ALA  54          2HB       ALA  54   3.508   1.129   7.246
  421   3HB   ALA  54          1HB       ALA  54   4.384  -0.355   7.588
  422    H    LEU  55           H        LEU  55   3.269   0.482   4.234
  423    HA   LEU  55           HA       LEU  55   1.176   2.256   3.842
  424   1HB   LEU  55          2HB       LEU  55   3.475   0.935   2.450
  425   2HB   LEU  55          1HB       LEU  55   2.353   1.623   1.410
  426    HG   LEU  55           HG       LEU  55   3.700   3.065   3.781
  427   1HD1  LEU  55          3HD1      LEU  55   4.340   3.145   0.788
  428   2HD1  LEU  55          2HD1      LEU  55   5.151   4.101   2.017
  429   3HD1  LEU  55          1HD1      LEU  55   5.323   2.356   2.014
  430   1HD2  LEU  55          1HD2      LEU  55   1.545   4.186   2.974
  431   2HD2  LEU  55          3HD2      LEU  55   2.971   5.164   2.694
  432   3HD2  LEU  55          2HD2      LEU  55   2.242   4.284   1.364
  433    H    LEU  56           H        LEU  56   1.854  -0.826   2.480
  434    HA   LEU  56           HA       LEU  56  -0.337  -1.405   0.885
  435   1HB   LEU  56          2HB       LEU  56   0.876  -3.296   2.828
  436   2HB   LEU  56          1HB       LEU  56   0.220  -3.761   1.302
  437    HG   LEU  56           HG       LEU  56   2.387  -3.777   0.656
  438   1HD1  LEU  56          2HD1      LEU  56   1.687  -1.919  -0.716
  439   2HD1  LEU  56          1HD1      LEU  56   2.143  -0.745   0.494
  440   3HD1  LEU  56          3HD1      LEU  56   3.370  -1.723  -0.282
  441   1HD2  LEU  56          1HD2      LEU  56   3.246  -3.602   2.916
  442   2HD2  LEU  56          3HD2      LEU  56   4.270  -2.718   1.854
  443   3HD2  LEU  56          2HD2      LEU  56   3.188  -1.856   2.904
  444    H    GLU  57           H        GLU  57  -0.195  -1.413   4.375
  445    HA   GLU  57           HA       GLU  57  -2.534  -2.897   4.856
  446   1HB   GLU  57          2HB       GLU  57  -1.510  -0.537   6.503
  447   2HB   GLU  57          1HB       GLU  57  -2.779  -1.640   6.983
  448   1HG   GLU  57          2HG       GLU  57  -0.808  -3.389   6.259
  449   2HG   GLU  57          1HG       GLU  57   0.141  -2.081   6.958
  450    H    THR  58           H        THR  58  -1.908   0.508   4.578
  451    HA   THR  58           HA       THR  58  -4.700   1.301   4.607
  452    HB   THR  58           HB       THR  58  -3.100   2.710   5.698
  453    HG1  THR  58           HG1      THR  58  -4.522   3.600   3.575
  454   1HG2  THR  58          3HG2      THR  58  -1.608   3.066   3.064
  455   2HG2  THR  58          2HG2      THR  58  -1.310   3.982   4.529
  456   3HG2  THR  58          1HG2      THR  58  -0.981   2.267   4.504
  457    OH   TYR  59           OH       TYR  59   0.603   4.743  -0.912
  458    H    TYR  59           H        TYR  59  -2.852   0.037   2.056
  459    HA   TYR  59           HA       TYR  59  -4.087   1.772  -0.027
  460   1HB   TYR  59          2HB       TYR  59  -2.246  -0.575  -0.058
  461   2HB   TYR  59          1HB       TYR  59  -3.090  -0.141  -1.556
  462    HD1  TYR  59           HD1      TYR  59  -3.032   2.421  -2.217
  463    HD2  TYR  59           HD2      TYR  59  -0.451   0.699   0.647
  464    HE1  TYR  59           HE1      TYR  59  -1.556   4.399  -2.308
  465    HE2  TYR  59           HE2      TYR  59   0.987   2.682   0.538
  466    HH   TYR  59           HH       TYR  59   1.482   4.382  -1.115
  467    H    CYS  60           H        CYS  60  -4.966  -0.889   1.792
  468    HA   CYS  60           HA       CYS  60  -6.732  -2.217   0.054
  469   1HB   CYS  60          2HB       CYS  60  -5.874  -2.825   2.377
  470   2HB   CYS  60          1HB       CYS  60  -7.132  -1.807   3.007
  471    H    ALA  61           H        ALA  61  -8.914  -1.982  -0.333
  472    HA   ALA  61           HA       ALA  61  -9.985   0.666  -0.492
  473   1HB   ALA  61          1HB       ALA  61 -10.560  -1.063  -2.146
  474   2HB   ALA  61          3HB       ALA  61 -11.368  -2.014  -0.916
  475   3HB   ALA  61          2HB       ALA  61 -12.024  -0.459  -1.393
  476    H    THR  62           H        THR  62  -9.550  -0.076   2.294
  477    HA   THR  62           HA       THR  62 -12.249  -0.325   3.455
  478    HB   THR  62           HB       THR  62 -10.528  -1.433   4.809
  479    HG1  THR  62           HG1      THR  62 -10.139   0.450   6.477
  480   1HG2  THR  62          2HG2      THR  62  -8.810   1.021   4.431
  481   2HG2  THR  62          1HG2      THR  62  -8.383  -0.360   5.442
  482   3HG2  THR  62          3HG2      THR  62  -8.519  -0.528   3.716
  483    HA   PRO  63           HA       PRO  63 -12.781   4.143   3.806
  484   1HB   PRO  63          2HB       PRO  63 -14.202   4.323   6.138
  485   2HB   PRO  63          1HB       PRO  63 -14.958   3.717   4.661
  486   1HG   PRO  63          2HG       PRO  63 -13.663   2.109   6.930
  487   2HG   PRO  63          1HG       PRO  63 -15.268   1.871   6.230
  488   1HD   PRO  63          2HD       PRO  63 -13.174   0.356   5.403
  489   2HD   PRO  63          1HD       PRO  63 -14.338   0.937   4.187
  490    H    ALA  64           H        ALA  64 -10.504   3.892   3.992
  491    HA   ALA  64           HA       ALA  64  -9.401   4.693   6.625
  492   1HB   ALA  64          3HB       ALA  64  -8.188   2.980   4.396
  493   2HB   ALA  64          2HB       ALA  64  -7.332   3.385   5.877
  494   3HB   ALA  64          1HB       ALA  64  -8.766   2.376   5.933
  495    H    LYS  65           H        LYS  65  -7.555   6.132   6.426
  496    HA   LYS  65           HA       LYS  65  -7.892   8.415   5.183
  497   1HB   LYS  65          2HB       LYS  65  -5.501   8.538   5.813
  498   2HB   LYS  65          1HB       LYS  65  -6.569   8.106   7.104
  499   1HG   LYS  65          2HG       LYS  65  -5.833   5.770   6.969
  500   2HG   LYS  65          1HG       LYS  65  -5.129   6.013   5.378
  501   1HD   LYS  65          2HD       LYS  65  -3.414   7.490   6.392
  502   2HD   LYS  65          1HD       LYS  65  -4.105   7.196   7.990
  503   1HE   LYS  65          2HE       LYS  65  -3.671   4.766   7.761
  504   2HE   LYS  65          1HE       LYS  65  -3.139   4.979   6.102
  505   1HZ   LYS  65          2HZ       LYS  65  -1.606   6.680   7.719
  506   2HZ   LYS  65          1HZ       LYS  65  -1.616   5.147   8.439
  507   3HZ   LYS  65          3HZ       LYS  65  -1.091   5.317   6.841
  508    H    SER  66           H        SER  66  -8.483   7.710   2.917
  509    HA   SER  66           HA       SER  66  -6.226   7.091   1.155
  510   1HB   SER  66          2HB       SER  66  -8.568   7.781  -0.368
  511   2HB   SER  66          1HB       SER  66  -8.038   6.148   0.046
  512    HG   SER  66           HG       SER  66  -9.289   6.225   1.920
  513    H    GLU  67           HN       GLU  67  -5.303   9.049   2.296
  514    HA   GLU  67           HA       GLU  67  -5.400  11.392   0.528
  515   1HB   GLU  67          2HB       GLU  67  -5.536  11.623   3.592
  516   2HB   GLU  67          1HB       GLU  67  -5.545  12.943   2.448
  517   1HG   GLU  67          2HG       GLU  67  -7.758  12.126   1.536
  518   2HG   GLU  67          1HG       GLU  67  -7.784  10.879   2.766
   
  Start of MODEL          11
 Raw file had  518 H/Q atoms
  Start of MODEL   11
    1   1H    ALA   1          2H        ALA   1  13.185  -1.666  12.349
    2   2H    ALA   1          1H        ALA   1  12.151  -0.644  13.240
    3   3H    ALA   1          3H        ALA   1  13.139  -1.776  14.038
    4    HA   ALA   1           HA       ALA   1  11.583  -3.340  13.880
    5   1HB   ALA   1          1HB       ALA   1   9.987  -1.244  12.229
    6   2HB   ALA   1          3HB       ALA   1   9.311  -2.696  12.953
    7   3HB   ALA   1          2HB       ALA   1   9.902  -1.406  13.971
    8    OH   TYR   2           OH       TYR   2   6.245  -6.441  12.307
    9    H    TYR   2           H        TYR   2  10.128  -2.671  10.897
   10    HA   TYR   2           HA       TYR   2  11.488  -4.870   9.607
   11   1HB   TYR   2          2HB       TYR   2   9.486  -2.813   8.486
   12   2HB   TYR   2          1HB       TYR   2   9.831  -4.375   7.763
   13    HD1  TYR   2           HD2      TYR   2   9.609  -6.460   9.322
   14    HD2  TYR   2           HD1      TYR   2   7.744  -2.717  10.191
   15    HE1  TYR   2           HE2      TYR   2   8.094  -7.564  10.881
   16    HE2  TYR   2           HE1      TYR   2   6.236  -3.848  11.757
   17    HH   TYR   2           HH       TYR   2   5.396  -6.567  11.875
   18    NH1  ARG   3           NH1      ARG   3  17.325  -0.188   3.992
   19    NH2  ARG   3           NH2      ARG   3  17.730   1.718   5.196
   20    H    ARG   3           H        ARG   3  11.742  -4.090   7.078
   21    HA   ARG   3           HA       ARG   3  12.846  -2.178   5.799
   22   1HB   ARG   3          2HB       ARG   3  14.366  -1.134   7.304
   23   2HB   ARG   3          1HB       ARG   3  14.847  -2.617   8.083
   24   1HG   ARG   3          2HG       ARG   3  16.301  -3.277   6.295
   25   2HG   ARG   3          1HG       ARG   3  15.624  -2.092   5.203
   26   1HD   ARG   3          2HD       ARG   3  17.023  -1.211   7.746
   27   2HD   ARG   3          1HD       ARG   3  17.968  -1.585   6.308
   28    HE   ARG   3           HE       ARG   3  15.826   0.511   6.483
   29   1HH1  ARG   3          2HH1      ARG   3  16.918  -1.101   3.996
   30   2HH1  ARG   3          1HH1      ARG   3  17.790   0.139   3.168
   31   1HH2  ARG   3          1HH2      ARG   3  17.652   2.199   6.071
   32   2HH2  ARG   3          2HH2      ARG   3  18.202   2.174   4.442
   33    HA   PRO   4           HA       PRO   4  15.761  -5.617   4.568
   34   1HB   PRO   4          2HB       PRO   4  16.457  -7.674   6.118
   35   2HB   PRO   4          1HB       PRO   4  16.978  -6.049   6.595
   36   1HG   PRO   4          2HG       PRO   4  14.514  -7.608   7.576
   37   2HG   PRO   4          1HG       PRO   4  15.733  -6.802   8.564
   38   1HD   PRO   4          2HD       PRO   4  13.336  -5.606   7.845
   39   2HD   PRO   4          1HD       PRO   4  14.801  -4.657   8.184
   40    H    SER   5           H        SER   5  12.912  -5.675   4.508
   41    HA   SER   5           HA       SER   5  12.221  -8.505   3.960
   42   1HB   SER   5          2HB       SER   5  10.522  -5.969   4.274
   43   2HB   SER   5          1HB       SER   5   9.833  -7.527   3.838
   44    HG   SER   5           HG       SER   5  10.083  -8.151   5.803
   45    H    GLU   6           H        GLU   6  10.428  -8.442   2.110
   46    HA   GLU   6           HA       GLU   6  11.910  -7.879  -0.318
   47   1HB   GLU   6          2HB       GLU   6   9.883  -9.047  -1.369
   48   2HB   GLU   6          1HB       GLU   6  10.769 -10.022  -0.218
   49   1HG   GLU   6          2HG       GLU   6   8.392  -8.397   0.776
   50   2HG   GLU   6          1HG       GLU   6   8.079  -9.843  -0.143
   51    H    THR   7           H        THR   7  11.401  -6.386  -1.817
   52    HA   THR   7           HA       THR   7   9.498  -4.234  -1.050
   53    HB   THR   7           HB       THR   7  10.668  -2.950  -2.885
   54    HG1  THR   7           HG1      THR   7  10.846  -4.492  -4.383
   55   1HG2  THR   7          2HG2      THR   7  12.057  -3.304  -0.766
   56   2HG2  THR   7          1HG2      THR   7  12.768  -4.717  -1.535
   57   3HG2  THR   7          3HG2      THR   7  13.016  -3.122  -2.227
   58    H    LEU   8           H        LEU   8  10.213  -6.623  -3.332
   59    HA   LEU   8           HA       LEU   8   9.060  -7.692  -5.057
   60   1HB   LEU   8          2HB       LEU   8   6.525  -6.327  -3.977
   61   2HB   LEU   8          1HB       LEU   8   6.620  -7.780  -4.944
   62    HG   LEU   8           HG       LEU   8   7.899  -8.738  -2.789
   63   1HD1  LEU   8          3HD1      LEU   8   5.953  -6.703  -1.574
   64   2HD1  LEU   8          2HD1      LEU   8   6.799  -7.949  -0.694
   65   3HD1  LEU   8          1HD1      LEU   8   7.689  -6.614  -1.371
   66   1HD2  LEU   8          3HD2      LEU   8   4.937  -8.320  -3.116
   67   2HD2  LEU   8          2HD2      LEU   8   5.872  -9.627  -3.798
   68   3HD2  LEU   8          1HD2      LEU   8   5.637  -9.521  -2.057
   69    H    CYS   9           H        CYS   9   6.910  -6.704  -6.518
   70    HA   CYS   9           HA       CYS   9   7.119  -3.897  -7.116
   71   1HB   CYS   9          2HB       CYS   9   9.224  -4.558  -8.228
   72   2HB   CYS   9          1HB       CYS   9   8.367  -5.781  -9.144
   73    H    GLY  10           H        GLY  10   5.644  -3.228  -8.476
   74   1HA   GLY  10          2HA       GLY  10   3.292  -3.331  -8.968
   75   2HA   GLY  10          1HA       GLY  10   4.096  -3.798 -10.441
   76    H    GLY  11           H        GLY  11   3.648  -5.693 -11.266
   77   1HA   GLY  11          2HA       GLY  11   1.300  -7.100 -10.747
   78   2HA   GLY  11          1HA       GLY  11   2.629  -7.747 -11.692
   79    H    GLU  12           H        GLU  12   4.236  -7.473  -9.114
   80    HA   GLU  12           HA       GLU  12   3.436 -10.118  -7.991
   81   1HB   GLU  12          2HB       GLU  12   5.750  -9.952  -8.822
   82   2HB   GLU  12          1HB       GLU  12   6.010  -8.468  -7.943
   83   1HG   GLU  12          2HG       GLU  12   5.590  -9.830  -5.790
   84   2HG   GLU  12          1HG       GLU  12   5.659 -11.260  -6.800
   85    H    LEU  13           H        LEU  13   4.637  -6.980  -7.123
   86    HA   LEU  13           HA       LEU  13   4.321  -6.853  -4.397
   87   1HB   LEU  13          2HB       LEU  13   5.317  -5.013  -5.423
   88   2HB   LEU  13          1HB       LEU  13   4.079  -4.736  -6.591
   89    HG   LEU  13           HG       LEU  13   2.574  -4.052  -4.609
   90   1HD1  LEU  13          1HD1      LEU  13   5.242  -4.260  -3.128
   91   2HD1  LEU  13          3HD1      LEU  13   3.779  -3.503  -2.503
   92   3HD1  LEU  13          2HD1      LEU  13   3.818  -5.209  -2.838
   93   1HD2  LEU  13          2HD2      LEU  13   5.097  -2.469  -5.182
   94   2HD2  LEU  13          1HD2      LEU  13   3.600  -2.426  -6.093
   95   3HD2  LEU  13          3HD2      LEU  13   3.626  -1.836  -4.438
   96    H    VAL  14           H        VAL  14   1.803  -6.525  -6.812
   97    HA   VAL  14           HA       VAL  14  -0.369  -5.694  -5.244
   98    HB   VAL  14           HB       VAL  14  -0.458  -5.987  -7.700
   99   1HG1  VAL  14          2HG1      VAL  14   0.851  -8.107  -7.798
  100   2HG1  VAL  14          1HG1      VAL  14  -0.497  -9.001  -7.138
  101   3HG1  VAL  14          3HG1      VAL  14  -0.633  -8.248  -8.709
  102   1HG2  VAL  14          3HG2      VAL  14  -2.597  -5.987  -6.449
  103   2HG2  VAL  14          2HG2      VAL  14  -2.731  -7.002  -7.878
  104   3HG2  VAL  14          1HG2      VAL  14  -2.544  -7.732  -6.292
  105    H    ASP  15           H        ASP  15   1.029  -8.919  -5.403
  106    HA   ASP  15           HA       ASP  15  -1.033 -10.333  -3.998
  107   1HB   ASP  15          2HB       ASP  15   0.936 -11.540  -5.120
  108   2HB   ASP  15          1HB       ASP  15   1.965 -10.903  -3.847
  109    H    THR  16           H        THR  16   1.698  -8.409  -3.033
  110    HA   THR  16           HA       THR  16   1.867  -8.859  -0.288
  111    HB   THR  16           HB       THR  16   1.986  -6.031  -1.546
  112    HG1  THR  16           HG1      THR  16   3.325  -7.187  -2.650
  113   1HG2  THR  16          3HG2      THR  16   2.282  -6.214   1.020
  114   2HG2  THR  16          2HG2      THR  16   3.673  -7.242   0.682
  115   3HG2  THR  16          1HG2      THR  16   3.668  -5.585   0.142
  116    H    LEU  17           H        LEU  17   0.013  -6.193  -1.795
  117    HA   LEU  17           HA       LEU  17  -1.624  -5.562   0.375
  118   1HB   LEU  17          2HB       LEU  17  -2.448  -5.814  -2.411
  119   2HB   LEU  17          1HB       LEU  17  -3.198  -4.764  -1.209
  120    HG   LEU  17           HG       LEU  17  -0.314  -4.298  -2.141
  121   1HD1  LEU  17          3HD1      LEU  17  -2.040  -3.914  -3.942
  122   2HD1  LEU  17          2HD1      LEU  17  -2.828  -2.786  -2.841
  123   3HD1  LEU  17          1HD1      LEU  17  -1.203  -2.452  -3.393
  124   1HD2  LEU  17          1HD2      LEU  17  -1.108  -3.356   0.095
  125   2HD2  LEU  17          3HD2      LEU  17  -0.700  -2.134  -1.082
  126   3HD2  LEU  17          2HD2      LEU  17  -2.377  -2.523  -0.760
  127    H    GLN  18           H        GLN  18  -2.331  -7.901  -2.272
  128    HA   GLN  18           HA       GLN  18  -4.764  -8.839  -1.404
  129   1HB   GLN  18          2HB       GLN  18  -3.112  -9.755  -3.313
  130   2HB   GLN  18          1HB       GLN  18  -2.627 -10.910  -2.088
  131   1HG   GLN  18          2HG       GLN  18  -4.432 -11.965  -3.313
  132   2HG   GLN  18          1HG       GLN  18  -5.137 -11.459  -1.783
  133   1HE2  GLN  18          2HE2      GLN  18  -6.096  -9.358  -5.156
  134   2HE2  GLN  18          1HE2      GLN  18  -4.617 -10.212  -5.113
  135    H    PHE  19           H        PHE  19  -1.674  -9.631   0.127
  136    HA   PHE  19           HA       PHE  19  -3.114 -11.367   2.065
  137   1HB   PHE  19          2HB       PHE  19  -1.015 -12.187   2.777
  138   2HB   PHE  19          1HB       PHE  19  -0.594 -11.710   1.146
  139    HD1  PHE  19           HD2      PHE  19  -0.672 -10.252   4.635
  140    HD2  PHE  19           HD1      PHE  19   1.300 -10.372   0.869
  141    HE1  PHE  19           HE2      PHE  19   1.027  -8.738   5.507
  142    HE2  PHE  19           HE1      PHE  19   3.016  -8.852   1.763
  143    HZ   PHE  19           HZ       PHE  19   2.925  -8.065   4.038
  144    H    VAL  20           H        VAL  20  -1.443  -8.117   2.080
  145    HA   VAL  20           HA       VAL  20  -2.202  -7.895   4.887
  146    HB   VAL  20           HB       VAL  20  -0.140  -7.041   4.677
  147   1HG1  VAL  20          3HG1      VAL  20  -0.589  -6.111   1.878
  148   2HG1  VAL  20          2HG1      VAL  20   0.884  -5.881   2.793
  149   3HG1  VAL  20          1HG1      VAL  20   0.349  -7.488   2.435
  150   1HG2  VAL  20          3HG2      VAL  20  -1.587  -5.159   5.265
  151   2HG2  VAL  20          2HG2      VAL  20  -0.127  -4.588   4.447
  152   3HG2  VAL  20          1HG2      VAL  20  -1.655  -4.697   3.574
  153    H    CYS  21           H        CYS  21  -2.884  -6.128   1.848
  154    HA   CYS  21           HA       CYS  21  -4.561  -4.120   2.543
  155   1HB   CYS  21          2HB       CYS  21  -4.800  -4.139   0.402
  156   2HB   CYS  21          1HB       CYS  21  -4.520  -5.816   0.240
  157    H    GLY  22           H        GLY  22  -5.513  -7.324   1.824
  158   1HA   GLY  22          2HA       GLY  22  -6.757  -8.858   3.232
  159   2HA   GLY  22          1HA       GLY  22  -7.488  -7.479   4.035
  160    H    ASP  23           H        ASP  23  -9.438  -7.986   3.819
  161    HA   ASP  23           HA       ASP  23 -10.914  -9.053   1.637
  162   1HB   ASP  23          2HB       ASP  23 -12.839  -8.606   3.175
  163   2HB   ASP  23          1HB       ASP  23 -11.517  -9.327   4.076
  164    NH1  ARG  24           NH2      ARG  24 -11.721  -4.376   4.893
  165    NH2  ARG  24           NH1      ARG  24 -12.853  -2.386   5.084
  166    H    ARG  24           H        ARG  24  -9.672  -6.799   0.357
  167    HA   ARG  24           HA       ARG  24 -12.151  -5.289  -0.203
  168   1HB   ARG  24          2HB       ARG  24  -9.691  -3.607   0.388
  169   2HB   ARG  24          1HB       ARG  24 -11.384  -3.174   0.345
  170   1HG   ARG  24          2HG       ARG  24 -11.888  -4.147   2.405
  171   2HG   ARG  24          1HG       ARG  24 -10.363  -5.000   2.487
  172   1HD   ARG  24          2HD       ARG  24  -9.191  -3.371   3.412
  173   2HD   ARG  24          1HD       ARG  24  -9.803  -2.170   2.305
  174    HE   ARG  24           HE       ARG  24 -10.805  -1.467   4.411
  175   1HH1  ARG  24          1HH2      ARG  24 -10.898  -4.875   4.598
  176   2HH1  ARG  24          2HH2      ARG  24 -12.409  -4.976   5.325
  177   1HH2  ARG  24          2HH1      ARG  24 -12.836  -1.395   4.903
  178   2HH2  ARG  24          1HH1      ARG  24 -13.629  -2.809   5.544
  179    H    GLY  25           H        GLY  25  -8.713  -5.629  -0.584
  180   1HA   GLY  25          2HA       GLY  25  -7.743  -6.173  -2.842
  181   2HA   GLY  25          1HA       GLY  25  -9.182  -5.378  -3.495
  182    H    PHE  26           H        PHE  26  -7.792  -3.543  -4.469
  183    HA   PHE  26           HA       PHE  26  -7.124  -1.518  -2.428
  184   1HB   PHE  26          2HB       PHE  26  -4.576  -1.576  -3.516
  185   2HB   PHE  26          1HB       PHE  26  -5.035  -2.312  -1.984
  186    HD1  PHE  26           HD1      PHE  26  -4.846  -2.983  -5.637
  187    HD2  PHE  26           HD2      PHE  26  -5.134  -4.571  -1.716
  188    HE1  PHE  26           HE1      PHE  26  -4.589  -5.176  -6.513
  189    HE2  PHE  26           HE2      PHE  26  -4.867  -6.768  -2.507
  190    HZ   PHE  26           HZ       PHE  26  -4.571  -7.185  -4.989
  191    OH   TYR  27           OH       TYR  27 -11.938   2.616  -1.982
  192    H    TYR  27           H        TYR  27  -5.997   0.297  -3.325
  193    HA   TYR  27           HA       TYR  27  -7.181   0.710  -5.990
  194   1HB   TYR  27          2HB       TYR  27  -6.121   2.783  -3.976
  195   2HB   TYR  27          1HB       TYR  27  -6.903   3.204  -5.479
  196    HD1  TYR  27           HD2      TYR  27  -9.282   1.241  -5.376
  197    HD2  TYR  27           HD1      TYR  27  -7.572   3.724  -2.354
  198    HE1  TYR  27           HE2      TYR  27 -11.427   1.323  -4.203
  199    HE2  TYR  27           HE1      TYR  27  -9.723   3.799  -1.204
  200    HH   TYR  27           HH       TYR  27 -11.841   2.238  -1.093
  201    H    PHE  28           H        PHE  28  -3.964   0.526  -4.863
  202    HA   PHE  28           HA       PHE  28  -1.931   0.699  -6.090
  203   1HB   PHE  28          2HB       PHE  28  -2.823  -0.681  -7.780
  204   2HB   PHE  28          1HB       PHE  28  -3.991   0.494  -8.311
  205    HD1  PHE  28           HD2      PHE  28  -0.472  -0.548  -8.574
  206    HD2  PHE  28           HD1      PHE  28  -3.372   2.340  -9.777
  207    HE1  PHE  28           HE2      PHE  28   1.028   0.234 -10.342
  208    HE2  PHE  28           HE1      PHE  28  -1.861   3.118 -11.544
  209    HZ   PHE  28           HZ       PHE  28   0.342   2.068 -11.836
  210    H    SER  29           H        SER  29  -4.220   3.141  -6.354
  211    HA   SER  29           HA       SER  29  -2.229   5.252  -6.750
  212   1HB   SER  29          2HB       SER  29  -4.099   6.226  -8.447
  213   2HB   SER  29          1HB       SER  29  -2.920   5.053  -9.038
  214    HG   SER  29           HG       SER  29  -4.848   3.591  -7.992
  215    NH1  ARG  30           NH2      ARG  30   0.306   8.353  -4.040
  216    NH2  ARG  30           NH1      ARG  30  -0.775   9.467  -5.714
  217    H    ARG  30           H        ARG  30  -2.739   5.396  -4.411
  218    HA   ARG  30           HA       ARG  30  -5.319   5.705  -3.402
  219   1HB   ARG  30          2HB       ARG  30  -4.213   7.070  -1.494
  220   2HB   ARG  30          1HB       ARG  30  -3.700   5.434  -1.734
  221   1HG   ARG  30          2HG       ARG  30  -1.773   6.767  -1.199
  222   2HG   ARG  30          1HG       ARG  30  -1.617   6.293  -2.863
  223   1HD   ARG  30          2HD       ARG  30  -2.917   8.954  -2.260
  224   2HD   ARG  30          1HD       ARG  30  -1.172   8.812  -2.077
  225    HE   ARG  30           HE       ARG  30  -2.717   8.273  -4.602
  226   1HH1  ARG  30          1HH2      ARG  30   0.219   7.815  -3.197
  227   2HH1  ARG  30          2HH2      ARG  30   1.224   8.537  -4.388
  228   1HH2  ARG  30          2HH1      ARG  30  -1.628   9.789  -6.121
  229   2HH2  ARG  30          1HH1      ARG  30   0.091   9.684  -6.164
  230    HA   PRO  31           HA       PRO  31  -6.981   9.440  -4.785
  231   1HB   PRO  31          2HB       PRO  31  -8.908   9.913  -2.987
  232   2HB   PRO  31          1HB       PRO  31  -8.973   8.545  -4.115
  233   1HG   PRO  31          2HG       PRO  31  -7.937   8.582  -1.225
  234   2HG   PRO  31          1HG       PRO  31  -9.146   7.475  -1.892
  235   1HD   PRO  31          2HD       PRO  31  -6.538   6.699  -1.779
  236   2HD   PRO  31          1HD       PRO  31  -7.495   6.324  -3.241
  237    H    ALA  32           H        ALA  32  -5.296  10.652  -4.596
  238    HA   ALA  32           HA       ALA  32  -4.389  12.105  -2.260
  239   1HB   ALA  32          2HB       ALA  32  -4.230  13.027  -5.177
  240   2HB   ALA  32          1HB       ALA  32  -3.290  13.696  -3.854
  241   3HB   ALA  32          3HB       ALA  32  -3.007  12.043  -4.375
  242    H    SER  33           H        SER  33  -4.601  14.659  -2.231
  243    HA   SER  33           HA       SER  33  -7.284  15.541  -3.136
  244   1HB   SER  33          2HB       SER  33  -6.526  15.917  -0.216
  245   2HB   SER  33          1HB       SER  33  -8.125  16.037  -0.928
  246    HG   SER  33           HG       SER  33  -7.497  13.629  -1.550
  247    NH1  ARG  34           NH1      ARG  34  -8.662  23.173  -5.738
  248    NH2  ARG  34           NH2      ARG  34  -9.522  24.445  -4.037
  249    H    ARG  34           H        ARG  34  -7.325  17.891  -1.640
  250    HA   ARG  34           HA       ARG  34  -4.833  19.218  -2.634
  251   1HB   ARG  34          2HB       ARG  34  -6.191  21.209  -3.148
  252   2HB   ARG  34          1HB       ARG  34  -6.845  19.822  -3.986
  253   1HG   ARG  34          2HG       ARG  34  -8.568  19.565  -2.130
  254   2HG   ARG  34          1HG       ARG  34  -7.959  21.035  -1.396
  255   1HD   ARG  34          2HD       ARG  34  -9.197  20.788  -4.186
  256   2HD   ARG  34          1HD       ARG  34  -9.937  21.548  -2.786
  257    HE   ARG  34           HE       ARG  34  -7.464  22.863  -3.148
  258   1HH1  ARG  34          2HH1      ARG  34  -8.128  22.366  -5.990
  259   2HH1  ARG  34          1HH1      ARG  34  -9.037  23.747  -6.467
  260   1HH2  ARG  34          1HH2      ARG  34  -9.615  24.573  -3.050
  261   2HH2  ARG  34          2HH2      ARG  34  -9.959  25.104  -4.651
  262    H    VAL  35           H        VAL  35  -5.762  18.240   0.113
  263    HA   VAL  35           HA       VAL  35  -5.436  20.711   1.644
  264    HB   VAL  35           HB       VAL  35  -7.257  19.436   2.446
  265   1HG1  VAL  35          3HG1      VAL  35  -5.770  16.812   1.906
  266   2HG1  VAL  35          2HG1      VAL  35  -7.350  16.949   2.647
  267   3HG1  VAL  35          1HG1      VAL  35  -7.148  17.463   1.006
  268   1HG2  VAL  35          1HG2      VAL  35  -5.673  19.702   4.289
  269   2HG2  VAL  35          3HG2      VAL  35  -6.656  18.236   4.450
  270   3HG2  VAL  35          2HG2      VAL  35  -4.984  18.122   3.902
  271    H    SER  36           H        SER  36  -3.547  19.049  -0.022
  272    HA   SER  36           HA       SER  36  -1.341  18.513  -0.165
  273   1HB   SER  36          2HB       SER  36  -1.388  20.878   1.168
  274   2HB   SER  36          1HB       SER  36  -0.642  19.890   2.432
  275    HG   SER  36           HG       SER  36   1.075  19.663   1.221
  276    NH1  ARG  37           NH1      ARG  37  -6.095  12.803   7.679
  277    NH2  ARG  37           NH2      ARG  37  -4.816  13.966   9.192
  278    H    ARG  37           H        ARG  37  -3.142  17.355   2.035
  279    HA   ARG  37           HA       ARG  37  -1.219  15.752   3.615
  280   1HB   ARG  37          2HB       ARG  37  -3.246  16.744   4.409
  281   2HB   ARG  37          1HB       ARG  37  -4.206  15.602   3.459
  282   1HG   ARG  37          2HG       ARG  37  -3.047  13.693   4.661
  283   2HG   ARG  37          1HG       ARG  37  -2.203  14.862   5.666
  284   1HD   ARG  37          2HD       ARG  37  -4.412  15.677   6.543
  285   2HD   ARG  37          1HD       ARG  37  -5.233  14.499   5.527
  286    HE   ARG  37           HE       ARG  37  -3.291  13.113   7.137
  287   1HH1  ARG  37          2HH1      ARG  37  -6.169  12.443   6.746
  288   2HH1  ARG  37          1HH1      ARG  37  -6.850  12.637   8.316
  289   1HH2  ARG  37          1HH2      ARG  37  -3.976  14.477   9.377
  290   2HH2  ARG  37          2HH2      ARG  37  -5.477  13.851   9.930
  291    NH1  ARG  38           NH2      ARG  38   2.289  15.690  -4.196
  292    NH2  ARG  38           NH1      ARG  38   0.597  16.765  -5.327
  293    H    ARG  38           H        ARG  38  -0.696  15.408   1.444
  294    HA   ARG  38           HA       ARG  38  -1.924  13.148  -0.019
  295   1HB   ARG  38          2HB       ARG  38   0.821  14.471  -0.421
  296   2HB   ARG  38          1HB       ARG  38  -0.015  13.486  -1.607
  297   1HG   ARG  38          2HG       ARG  38  -1.838  15.108  -1.835
  298   2HG   ARG  38          1HG       ARG  38  -1.250  16.052  -0.493
  299   1HD   ARG  38          2HD       ARG  38  -0.621  17.206  -2.467
  300   2HD   ARG  38          1HD       ARG  38   0.843  16.545  -1.749
  301    HE   ARG  38           HE       ARG  38  -0.284  14.691  -3.701
  302   1HH1  ARG  38          1HH2      ARG  38   2.520  15.094  -3.427
  303   2HH1  ARG  38          2HH2      ARG  38   3.025  16.010  -4.794
  304   1HH2  ARG  38          2HH1      ARG  38  -0.383  16.957  -5.367
  305   2HH2  ARG  38          1HH1      ARG  38   1.195  17.162  -6.025
  306    H    SER  39           H        SER  39   0.313  11.506  -0.610
  307    HA   SER  39           HA       SER  39   1.812  10.824   1.750
  308   1HB   SER  39          2HB       SER  39  -0.562  10.034   2.454
  309   2HB   SER  39          1HB       SER  39  -0.539   8.924   1.077
  310    HG   SER  39           HG       SER  39   0.312   8.203   3.279
  311    NH1  ARG  40           NH1      ARG  40   8.407   6.813  -0.427
  312    NH2  ARG  40           NH2      ARG  40   8.307   6.670   1.862
  313    H    ARG  40           H        ARG  40   2.089   8.192   1.266
  314    HA   ARG  40           HA       ARG  40   3.770   8.146  -1.074
  315   1HB   ARG  40          2HB       ARG  40   3.575   6.852   1.433
  316   2HB   ARG  40          1HB       ARG  40   3.100   5.595   0.340
  317   1HG   ARG  40          2HG       ARG  40   5.154   6.104  -1.010
  318   2HG   ARG  40          1HG       ARG  40   5.565   7.343   0.190
  319   1HD   ARG  40          2HD       ARG  40   5.668   5.520   1.960
  320   2HD   ARG  40          1HD       ARG  40   5.306   4.332   0.719
  321    HE   ARG  40           HE       ARG  40   7.597   4.320   0.262
  322   1HH1  ARG  40          2HH1      ARG  40   8.135   6.393  -1.294
  323   2HH1  ARG  40          1HH1      ARG  40   8.968   7.639  -0.440
  324   1HH2  ARG  40          1HH2      ARG  40   7.957   6.170   2.657
  325   2HH2  ARG  40          2HH2      ARG  40   8.879   7.474   2.022
  326    H    GLY  41           H        GLY  41   3.235   5.564  -2.212
  327   1HA   GLY  41          2HA       GLY  41   0.454   5.206  -2.869
  328   2HA   GLY  41          1HA       GLY  41   1.315   6.075  -4.162
  329    H    ILE  42           H        ILE  42   0.324   3.136  -3.987
  330    HA   ILE  42           HA       ILE  42   2.229   1.289  -3.649
  331    HB   ILE  42           HB       ILE  42   0.046   1.710  -5.727
  332   1HG1  ILE  42          2HG1      ILE  42  -0.764   1.735  -3.352
  333   2HG1  ILE  42          1HG1      ILE  42  -1.381   0.315  -4.168
  334   1HG2  ILE  42          1HG2      ILE  42   1.370  -0.881  -5.013
  335   2HG2  ILE  42          3HG2      ILE  42  -0.104  -0.704  -5.973
  336   3HG2  ILE  42          2HG2      ILE  42   1.400  -0.009  -6.557
  337   1HD1  ILE  42          3HD1      ILE  42   0.470  -1.051  -3.203
  338   2HD1  ILE  42          2HD1      ILE  42   1.005   0.355  -2.309
  339   3HD1  ILE  42          1HD1      ILE  42  -0.563  -0.326  -1.998
  340    H    VAL  43           H        VAL  43   3.240  -0.006  -5.254
  341    HA   VAL  43           HA       VAL  43   5.054  -0.462  -6.527
  342    HB   VAL  43           HB       VAL  43   5.094   0.624  -8.813
  343   1HG1  VAL  43          2HG1      VAL  43   4.167  -1.550  -8.422
  344   2HG1  VAL  43          1HG1      VAL  43   2.611  -0.891  -7.947
  345   3HG1  VAL  43          3HG1      VAL  43   3.170  -0.722  -9.603
  346   1HG2  VAL  43          2HG2      VAL  43   3.786   2.678  -8.416
  347   2HG2  VAL  43          1HG2      VAL  43   3.041   1.689  -9.651
  348   3HG2  VAL  43          3HG2      VAL  43   2.371   1.710  -8.032
  349    H    GLU  44           H        GLU  44   4.844   3.183  -6.888
  350    HA   GLU  44           HA       GLU  44   7.670   3.310  -7.215
  351   1HB   GLU  44          2HB       GLU  44   5.614   5.275  -6.225
  352   2HB   GLU  44          1HB       GLU  44   7.313   5.734  -6.215
  353   1HG   GLU  44          2HG       GLU  44   7.474   5.190  -8.618
  354   2HG   GLU  44          1HG       GLU  44   5.844   4.569  -8.616
  355    H    GLU  45           H        GLU  45   5.639   3.325  -4.331
  356    HA   GLU  45           HA       GLU  45   7.901   3.588  -2.519
  357   1HB   GLU  45          2HB       GLU  45   6.179   2.882  -0.835
  358   2HB   GLU  45          1HB       GLU  45   5.683   4.222  -1.872
  359   1HG   GLU  45          2HG       GLU  45   4.698   2.254  -3.290
  360   2HG   GLU  45          1HG       GLU  45   5.108   1.294  -1.888
  361    H    CYS  46           H        CYS  46   5.971   0.628  -3.471
  362    HA   CYS  46           HA       CYS  46   7.919  -1.037  -2.082
  363   1HB   CYS  46          2HB       CYS  46   5.096  -1.207  -3.085
  364   2HB   CYS  46          1HB       CYS  46   6.080  -2.517  -3.436
  365    H    CYS  47           H        CYS  47   6.756  -0.690  -5.451
  366    HA   CYS  47           HA       CYS  47   8.681  -2.600  -6.385
  367   1HB   CYS  47          2HB       CYS  47   6.807  -1.747  -7.910
  368   2HB   CYS  47          1HB       CYS  47   7.628  -0.224  -8.016
  369    H    PHE  48           H        PHE  48   8.835   1.182  -6.289
  370    HA   PHE  48           HA       PHE  48  11.630   0.918  -6.845
  371   1HB   PHE  48          2HB       PHE  48   9.531   2.994  -6.655
  372   2HB   PHE  48          1HB       PHE  48  11.117   3.482  -6.538
  373    HD1  PHE  48           HD2      PHE  48   8.696   1.477  -8.443
  374    HD2  PHE  48           HD1      PHE  48  12.176   3.901  -8.779
  375    HE1  PHE  48           HE2      PHE  48   8.478   1.412 -10.859
  376    HE2  PHE  48           HE1      PHE  48  11.967   3.845 -11.224
  377    HZ   PHE  48           HZ       PHE  48  10.125   2.599 -12.282
  378    NH1  ARG  49           NH1      ARG  49  13.285   7.656  -3.213
  379    NH2  ARG  49           NH2      ARG  49  14.817   5.949  -3.323
  380    H    ARG  49           H        ARG  49   9.751   2.094  -3.827
  381    HA   ARG  49           HA       ARG  49  12.481   2.382  -2.604
  382   1HB   ARG  49          2HB       ARG  49   9.824   3.002  -1.259
  383   2HB   ARG  49          1HB       ARG  49  11.401   3.619  -0.843
  384   1HG   ARG  49          2HG       ARG  49   9.725   4.335  -3.288
  385   2HG   ARG  49          1HG       ARG  49  10.194   5.393  -1.993
  386   1HD   ARG  49          2HD       ARG  49  12.186   4.141  -3.945
  387   2HD   ARG  49          1HD       ARG  49  11.449   5.714  -4.180
  388    HE   ARG  49           HE       ARG  49  12.770   5.404  -1.569
  389   1HH1  ARG  49          2HH1      ARG  49  12.357   7.943  -2.973
  390   2HH1  ARG  49          1HH1      ARG  49  13.911   8.337  -3.591
  391   1HH2  ARG  49          1HH2      ARG  49  15.008   4.979  -3.157
  392   2HH2  ARG  49          2HH2      ARG  49  15.538   6.524  -3.711
  393    H    SER  50           H        SER  50  11.212   1.873   0.100
  394    HA   SER  50           HA       SER  50  11.904  -0.986   0.235
  395   1HB   SER  50          2HB       SER  50  11.632  -0.518   2.772
  396   2HB   SER  50          1HB       SER  50  12.872   0.475   2.004
  397    HG   SER  50           HG       SER  50  10.755   1.323   3.271
  398    H    CYS  51           H        CYS  51   9.399   0.864   1.826
  399    HA   CYS  51           HA       CYS  51   7.131   0.526   2.222
  400   1HB   CYS  51          2HB       CYS  51   7.141   0.729  -0.213
  401   2HB   CYS  51          1HB       CYS  51   7.478  -0.980  -0.280
  402    H    ASP  52           H        ASP  52   7.405  -0.595   4.051
  403    HA   ASP  52           HA       ASP  52   7.311  -3.530   4.102
  404   1HB   ASP  52          2HB       ASP  52   7.287  -1.672   6.535
  405   2HB   ASP  52          1HB       ASP  52   7.978  -3.279   6.417
  406    H    LEU  53           H        LEU  53   5.759  -3.709   6.481
  407    HA   LEU  53           HA       LEU  53   3.091  -3.693   5.414
  408   1HB   LEU  53          2HB       LEU  53   4.399  -4.446   7.982
  409   2HB   LEU  53          1HB       LEU  53   2.850  -3.724   8.279
  410    HG   LEU  53           HG       LEU  53   2.913  -6.287   8.050
  411   1HD1  LEU  53          1HD1      LEU  53   0.952  -4.748   6.338
  412   2HD1  LEU  53          3HD1      LEU  53   0.736  -6.414   6.857
  413   3HD1  LEU  53          2HD1      LEU  53   0.784  -5.145   8.044
  414   1HD2  LEU  53          2HD2      LEU  53   4.269  -6.483   5.942
  415   2HD2  LEU  53          1HD2      LEU  53   2.690  -7.231   5.825
  416   3HD2  LEU  53          3HD2      LEU  53   2.974  -5.697   5.047
  417    H    ALA  54           H        ALA  54   1.453  -2.619   7.310
  418    HA   ALA  54           HA       ALA  54   0.413  -0.694   8.071
  419   1HB   ALA  54          3HB       ALA  54   2.593   0.085   9.049
  420   2HB   ALA  54          2HB       ALA  54   3.066   0.786   7.511
  421   3HB   ALA  54          1HB       ALA  54   1.679   1.416   8.362
  422    H    LEU  55           H        LEU  55   2.601   0.282   5.323
  423    HA   LEU  55           HA       LEU  55   0.776   1.993   4.155
  424   1HB   LEU  55          2HB       LEU  55   2.652   0.551   2.325
  425   2HB   LEU  55          1HB       LEU  55   2.441   2.218   2.781
  426    HG   LEU  55           HG       LEU  55   4.142   0.404   4.406
  427   1HD1  LEU  55          3HD1      LEU  55   4.786   2.598   2.419
  428   2HD1  LEU  55          2HD1      LEU  55   5.936   1.754   3.445
  429   3HD1  LEU  55          1HD1      LEU  55   5.061   0.884   2.196
  430   1HD2  LEU  55          3HD2      LEU  55   3.645   3.435   4.500
  431   2HD2  LEU  55          2HD2      LEU  55   3.033   2.321   5.705
  432   3HD2  LEU  55          1HD2      LEU  55   4.756   2.540   5.523
  433    H    LEU  56           H        LEU  56   1.650  -1.253   3.106
  434    HA   LEU  56           HA       LEU  56  -0.398  -1.549   1.196
  435   1HB   LEU  56          2HB       LEU  56   0.863  -3.520   2.935
  436   2HB   LEU  56          1HB       LEU  56  -0.046  -4.029   1.560
  437    HG   LEU  56           HG       LEU  56   1.811  -3.917   0.262
  438   1HD1  LEU  56          2HD1      LEU  56   1.195  -1.548  -0.343
  439   2HD1  LEU  56          1HD1      LEU  56   2.172  -0.972   0.983
  440   3HD1  LEU  56          3HD1      LEU  56   2.920  -1.812  -0.342
  441   1HD2  LEU  56          1HD2      LEU  56   3.153  -2.694   2.681
  442   2HD2  LEU  56          3HD2      LEU  56   3.065  -4.400   2.311
  443   3HD2  LEU  56          2HD2      LEU  56   4.018  -3.330   1.307
  444    H    GLU  57           H        GLU  57  -0.555  -1.887   4.641
  445    HA   GLU  57           HA       GLU  57  -2.861  -3.499   4.784
  446   1HB   GLU  57          2HB       GLU  57  -2.194  -1.239   6.768
  447   2HB   GLU  57          1HB       GLU  57  -3.116  -2.688   7.067
  448   1HG   GLU  57          2HG       GLU  57  -1.050  -4.053   6.702
  449   2HG   GLU  57          1HG       GLU  57  -0.154  -2.585   6.415
  450    H    THR  58           H        THR  58  -2.413   0.011   5.099
  451    HA   THR  58           HA       THR  58  -5.220   0.652   4.878
  452    HB   THR  58           HB       THR  58  -3.439   2.054   6.063
  453    HG1  THR  58           HG1      THR  58  -4.832   3.596   5.784
  454   1HG2  THR  58          3HG2      THR  58  -2.633   2.889   3.226
  455   2HG2  THR  58          2HG2      THR  58  -2.087   3.647   4.720
  456   3HG2  THR  58          1HG2      THR  58  -1.645   1.999   4.377
  457    OH   TYR  59           OH       TYR  59   0.896   4.575  -0.707
  458    H    TYR  59           H        TYR  59  -2.699   0.114   2.467
  459    HA   TYR  59           HA       TYR  59  -3.956   1.548   0.292
  460   1HB   TYR  59          2HB       TYR  59  -2.010  -0.705   0.416
  461   2HB   TYR  59          1HB       TYR  59  -2.748  -0.295  -1.132
  462    HD1  TYR  59           HD1      TYR  59  -2.958   2.413  -1.469
  463    HD2  TYR  59           HD2      TYR  59   0.039   0.421   0.796
  464    HE1  TYR  59           HE1      TYR  59  -1.475   4.330  -1.711
  465    HE2  TYR  59           HE2      TYR  59   1.513   2.340   0.548
  466    HH   TYR  59           HH       TYR  59   1.768   4.239  -0.953
  467    H    CYS  60           H        CYS  60  -5.104  -1.099   1.902
  468    HA   CYS  60           HA       CYS  60  -6.264  -2.586  -0.136
  469   1HB   CYS  60          2HB       CYS  60  -6.161  -2.874   2.469
  470   2HB   CYS  60          1HB       CYS  60  -7.655  -2.027   2.458
  471    H    ALA  61           H        ALA  61  -8.461  -2.547  -0.956
  472    HA   ALA  61           HA       ALA  61  -9.413   0.153  -1.613
  473   1HB   ALA  61          3HB       ALA  61  -9.366  -1.660  -3.378
  474   2HB   ALA  61          2HB       ALA  61 -10.496  -2.593  -2.405
  475   3HB   ALA  61          1HB       ALA  61 -10.997  -1.075  -3.104
  476    H    THR  62           H        THR  62  -9.644  -0.017   0.977
  477    HA   THR  62           HA       THR  62 -12.007  -1.274   1.950
  478    HB   THR  62           HB       THR  62 -10.007  -0.273   3.303
  479    HG1  THR  62           HG1      THR  62 -12.208   0.933   4.426
  480   1HG2  THR  62          3HG2      THR  62  -9.978   1.898   2.179
  481   2HG2  THR  62          2HG2      THR  62 -11.554   2.245   2.866
  482   3HG2  THR  62          1HG2      THR  62 -10.142   2.068   3.917
  483    HA   PRO  63           HA       PRO  63 -15.083   1.621   0.365
  484   1HB   PRO  63          2HB       PRO  63 -17.003   1.398   2.319
  485   2HB   PRO  63          1HB       PRO  63 -16.761   0.144   1.094
  486   1HG   PRO  63          2HG       PRO  63 -15.604   0.288   3.925
  487   2HG   PRO  63          1HG       PRO  63 -16.450  -1.073   3.177
  488   1HD   PRO  63          2HD       PRO  63 -13.738  -1.037   3.187
  489   2HD   PRO  63          1HD       PRO  63 -14.572  -1.583   1.724
  490    H    ALA  64           H        ALA  64 -13.446   3.181   0.734
  491    HA   ALA  64           HA       ALA  64 -14.242   5.249   2.705
  492   1HB   ALA  64          3HB       ALA  64 -12.485   3.857   3.877
  493   2HB   ALA  64          2HB       ALA  64 -11.382   4.182   2.534
  494   3HB   ALA  64          1HB       ALA  64 -11.913   5.487   3.563
  495    H    LYS  65           H        LYS  65 -14.355   4.965  -0.268
  496    HA   LYS  65           HA       LYS  65 -12.277   6.488  -1.400
  497   1HB   LYS  65          2HB       LYS  65 -13.592   4.742  -2.544
  498   2HB   LYS  65          1HB       LYS  65 -15.075   5.655  -2.262
  499   1HG   LYS  65          2HG       LYS  65 -14.037   7.557  -3.498
  500   2HG   LYS  65          1HG       LYS  65 -12.711   6.477  -3.905
  501   1HD   LYS  65          2HD       LYS  65 -15.624   5.866  -4.496
  502   2HD   LYS  65          1HD       LYS  65 -14.650   6.801  -5.618
  503   1HE   LYS  65          2HE       LYS  65 -13.014   4.803  -5.660
  504   2HE   LYS  65          1HE       LYS  65 -14.205   3.915  -4.722
  505   1HZ   LYS  65          2HZ       LYS  65 -15.562   5.072  -6.890
  506   2HZ   LYS  65          1HZ       LYS  65 -14.161   4.351  -7.512
  507   3HZ   LYS  65          3HZ       LYS  65 -15.254   3.425  -6.604
  508    H    SER  66           H        SER  66 -12.203   8.294  -0.082
  509    HA   SER  66           HA       SER  66 -12.504  10.744  -0.538
  510   1HB   SER  66          2HB       SER  66 -14.849  10.391  -1.536
  511   2HB   SER  66          1HB       SER  66 -15.442  10.110   0.118
  512    HG   SER  66           HG       SER  66 -15.607  12.288  -0.044
  513    H    GLU  67           HN       GLU  67 -14.568  11.555   1.504
  514    HA   GLU  67           HA       GLU  67 -12.999  11.046   3.969
  515   1HB   GLU  67          2HB       GLU  67 -13.754  13.447   2.895
  516   2HB   GLU  67          1HB       GLU  67 -15.280  13.034   3.653
  517   1HG   GLU  67          2HG       GLU  67 -12.687  13.131   5.224
  518   2HG   GLU  67          1HG       GLU  67 -13.742  14.521   5.048
   
  Start of MODEL          12
 Raw file had  518 H/Q atoms
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   6.351  -4.205   8.386
    2   2H    ALA   1          3H        ALA   1   4.992  -4.912   7.765
    3   3H    ALA   1          2H        ALA   1   5.193  -4.847   9.457
    4    HA   ALA   1           HA       ALA   1   6.325  -6.791   9.434
    5   1HB   ALA   1          1HB       ALA   1   6.152  -6.621   6.357
    6   2HB   ALA   1          3HB       ALA   1   6.567  -8.062   7.255
    7   3HB   ALA   1          2HB       ALA   1   4.944  -7.412   7.360
    8    OH   TYR   2           OH       TYR   2   6.258  -2.073  11.238
    9    H    TYR   2           H        TYR   2   8.682  -7.408   9.205
   10    HA   TYR   2           HA       TYR   2  10.284  -5.365   7.727
   11   1HB   TYR   2          2HB       TYR   2  10.941  -6.077  10.666
   12   2HB   TYR   2          1HB       TYR   2  11.593  -4.759   9.699
   13    HD1  TYR   2           HD1      TYR   2   9.931  -2.975   8.816
   14    HD2  TYR   2           HD2      TYR   2   8.860  -5.728  11.901
   15    HE1  TYR   2           HE1      TYR   2   8.034  -1.590   9.407
   16    HE2  TYR   2           HE2      TYR   2   6.934  -4.300  12.463
   17    HH   TYR   2           HH       TYR   2   6.055  -1.578  10.422
   18    NH1  ARG   3           NH2      ARG   3  13.829 -10.669  14.118
   19    NH2  ARG   3           NH1      ARG   3  13.527  -8.479  14.723
   20    H    ARG   3           H        ARG   3  10.760  -8.199   9.836
   21    HA   ARG   3           HA       ARG   3  13.182  -9.063   8.725
   22   1HB   ARG   3          2HB       ARG   3  10.904 -10.450  10.137
   23   2HB   ARG   3          1HB       ARG   3  12.009 -11.492   9.271
   24   1HG   ARG   3          2HG       ARG   3  12.709 -11.212  11.602
   25   2HG   ARG   3          1HG       ARG   3  13.922 -10.603  10.500
   26   1HD   ARG   3          2HD       ARG   3  13.045  -8.242  10.921
   27   2HD   ARG   3          1HD       ARG   3  11.948  -8.917  12.125
   28    HE   ARG   3           HE       ARG   3  14.916  -8.755  12.354
   29   1HH1  ARG   3          1HH2      ARG   3  14.042 -11.313  13.385
   30   2HH1  ARG   3          2HH2      ARG   3  13.657 -11.027  15.035
   31   1HH2  ARG   3          2HH1      ARG   3  13.497  -7.521  14.432
   32   2HH2  ARG   3          1HH1      ARG   3  13.358  -8.697  15.684
   33    HA   PRO   4           HA       PRO   4  11.245 -11.305   5.089
   34   1HB   PRO   4          2HB       PRO   4   8.601 -11.530   4.682
   35   2HB   PRO   4          1HB       PRO   4   9.401 -12.572   5.865
   36   1HG   PRO   4          2HG       PRO   4   7.912  -9.936   6.345
   37   2HG   PRO   4          1HG       PRO   4   7.670 -11.474   7.180
   38   1HD   PRO   4          2HD       PRO   4   9.315  -9.509   8.236
   39   2HD   PRO   4          1HD       PRO   4   9.666 -11.240   8.468
   40    H    SER   5           H        SER   5  11.548  -8.402   5.615
   41    HA   SER   5           HA       SER   5   9.922  -6.680   4.181
   42   1HB   SER   5          2HB       SER   5  12.101  -5.945   5.330
   43   2HB   SER   5          1HB       SER   5  12.972  -6.589   3.931
   44    HG   SER   5           HG       SER   5  12.457  -4.756   2.971
   45    H    GLU   6           H        GLU   6   9.385  -6.288   2.158
   46    HA   GLU   6           HA       GLU   6  10.853  -7.621  -0.049
   47   1HB   GLU   6          2HB       GLU   6   8.236  -7.680  -0.923
   48   2HB   GLU   6          1HB       GLU   6   9.061  -9.016  -0.171
   49   1HG   GLU   6          2HG       GLU   6   6.859  -8.723   0.865
   50   2HG   GLU   6          1HG       GLU   6   8.102  -8.431   2.045
   51    H    THR   7           H        THR   7  10.030  -6.844  -2.166
   52    HA   THR   7           HA       THR   7   9.498  -3.912  -2.284
   53    HB   THR   7           HB       THR   7  11.249  -3.724  -4.128
   54    HG1  THR   7           HG1      THR   7  11.818  -5.570  -4.945
   55   1HG2  THR   7          2HG2      THR   7  12.445  -5.199  -1.709
   56   2HG2  THR   7          1HG2      THR   7  13.324  -4.151  -2.815
   57   3HG2  THR   7          3HG2      THR   7  12.125  -3.475  -1.736
   58    H    LEU   8           H        LEU   8  10.056  -6.819  -4.101
   59    HA   LEU   8           HA       LEU   8   8.921  -7.876  -5.861
   60   1HB   LEU   8          2HB       LEU   8   6.442  -6.486  -4.955
   61   2HB   LEU   8          1HB       LEU   8   6.535  -8.087  -5.664
   62    HG   LEU   8           HG       LEU   8   7.797  -8.476  -3.233
   63   1HD1  LEU   8          1HD1      LEU   8   5.587  -6.375  -2.811
   64   2HD1  LEU   8          3HD1      LEU   8   6.310  -7.296  -1.520
   65   3HD1  LEU   8          2HD1      LEU   8   7.257  -6.125  -2.390
   66   1HD2  LEU   8          2HD2      LEU   8   4.796  -8.558  -3.783
   67   2HD2  LEU   8          1HD2      LEU   8   5.932  -9.838  -4.180
   68   3HD2  LEU   8          3HD2      LEU   8   5.610  -9.440  -2.504
   69    H    CYS   9           H        CYS   9   6.745  -7.090  -7.423
   70    HA   CYS   9           HA       CYS   9   6.762  -4.297  -8.083
   71   1HB   CYS   9          2HB       CYS   9   8.581  -6.056  -9.665
   72   2HB   CYS   9          1HB       CYS   9   7.807  -4.731 -10.483
   73    H    GLY  10           H        GLY  10   5.370  -3.656  -9.493
   74   1HA   GLY  10          2HA       GLY  10   3.355  -3.635 -10.680
   75   2HA   GLY  10          1HA       GLY  10   4.138  -4.853 -11.675
   76    H    GLY  11           H        GLY  11   2.892  -6.585 -11.919
   77   1HA   GLY  11          2HA       GLY  11   0.549  -7.133 -10.390
   78   2HA   GLY  11          1HA       GLY  11   1.321  -8.288 -11.482
   79    H    GLU  12           H        GLU  12   3.839  -8.323 -10.138
   80    HA   GLU  12           HA       GLU  12   3.285 -10.338  -8.156
   81   1HB   GLU  12          2HB       GLU  12   5.403 -10.380  -9.409
   82   2HB   GLU  12          1HB       GLU  12   5.834  -8.792  -8.831
   83   1HG   GLU  12          2HG       GLU  12   5.703  -9.913  -6.400
   84   2HG   GLU  12          1HG       GLU  12   5.762 -11.413  -7.302
   85    H    LEU  13           H        LEU  13   4.305  -6.980  -8.033
   86    HA   LEU  13           HA       LEU  13   4.599  -6.789  -5.203
   87   1HB   LEU  13          2HB       LEU  13   5.275  -4.776  -5.964
   88   2HB   LEU  13          1HB       LEU  13   4.437  -4.852  -7.447
   89    HG   LEU  13           HG       LEU  13   2.373  -4.184  -5.443
   90   1HD1  LEU  13          1HD1      LEU  13   4.314  -3.829  -3.920
   91   2HD1  LEU  13          3HD1      LEU  13   4.901  -2.639  -5.080
   92   3HD1  LEU  13          2HD1      LEU  13   3.386  -2.372  -4.224
   93   1HD2  LEU  13          3HD2      LEU  13   2.600  -3.360  -7.770
   94   2HD2  LEU  13          2HD2      LEU  13   2.378  -2.088  -6.585
   95   3HD2  LEU  13          1HD2      LEU  13   3.988  -2.424  -7.217
   96    H    VAL  14           H        VAL  14   1.741  -6.826  -7.119
   97    HA   VAL  14           HA       VAL  14  -0.143  -5.843  -5.297
   98    HB   VAL  14           HB       VAL  14  -0.432  -8.365  -7.045
   99   1HG1  VAL  14          1HG1      VAL  14  -2.557  -6.510  -5.917
  100   2HG1  VAL  14          3HG1      VAL  14  -2.872  -7.861  -7.003
  101   3HG1  VAL  14          2HG1      VAL  14  -2.279  -8.158  -5.377
  102   1HG2  VAL  14          3HG2      VAL  14  -1.101  -5.429  -7.626
  103   2HG2  VAL  14          2HG2      VAL  14   0.243  -6.309  -8.322
  104   3HG2  VAL  14          1HG2      VAL  14  -1.397  -6.769  -8.729
  105    H    ASP  15           H        ASP  15   1.762  -8.768  -5.080
  106    HA   ASP  15           HA       ASP  15   0.295 -10.195  -3.130
  107   1HB   ASP  15          2HB       ASP  15   2.283 -11.112  -4.259
  108   2HB   ASP  15          1HB       ASP  15   3.316 -10.014  -3.357
  109    H    THR  16           H        THR  16   2.590  -7.510  -2.653
  110    HA   THR  16           HA       THR  16   2.765  -7.740   0.163
  111    HB   THR  16           HB       THR  16   4.253  -6.145  -1.147
  112    HG1  THR  16           HG1      THR  16   4.423  -5.476   0.739
  113   1HG2  THR  16          1HG2      THR  16   2.404  -4.884  -2.510
  114   2HG2  THR  16          3HG2      THR  16   1.891  -4.189  -0.986
  115   3HG2  THR  16          2HG2      THR  16   3.502  -3.868  -1.600
  116    H    LEU  17           H        LEU  17   0.386  -5.924  -1.835
  117    HA   LEU  17           HA       LEU  17  -1.104  -5.054   0.475
  118   1HB   LEU  17          2HB       LEU  17  -2.141  -5.646  -2.196
  119   2HB   LEU  17          1HB       LEU  17  -2.857  -4.568  -1.035
  120    HG   LEU  17           HG       LEU  17  -0.123  -3.976  -2.251
  121   1HD1  LEU  17          3HD1      LEU  17  -1.994  -3.978  -3.828
  122   2HD1  LEU  17          2HD1      LEU  17  -2.850  -2.873  -2.734
  123   3HD1  LEU  17          1HD1      LEU  17  -1.344  -2.357  -3.505
  124   1HD2  LEU  17          1HD2      LEU  17  -2.209  -2.399  -0.739
  125   2HD2  LEU  17          3HD2      LEU  17  -0.687  -2.972  -0.060
  126   3HD2  LEU  17          2HD2      LEU  17  -0.679  -1.762  -1.342
  127    H    GLN  18           H        GLN  18  -1.481  -7.596  -1.930
  128    HA   GLN  18           HA       GLN  18  -3.833  -8.708  -1.087
  129   1HB   GLN  18          2HB       GLN  18  -2.328  -9.551  -3.055
  130   2HB   GLN  18          1HB       GLN  18  -1.322 -10.297  -1.845
  131   1HG   GLN  18          2HG       GLN  18  -4.251 -11.085  -2.026
  132   2HG   GLN  18          1HG       GLN  18  -3.003 -11.868  -2.990
  133   1HE2  GLN  18          2HE2      GLN  18  -3.444 -13.486   0.474
  134   2HE2  GLN  18          1HE2      GLN  18  -4.668 -12.876  -0.536
  135    H    PHE  19           H        PHE  19  -0.647  -9.466   0.407
  136    HA   PHE  19           HA       PHE  19  -2.009 -11.281   2.210
  137   1HB   PHE  19          2HB       PHE  19   0.069 -11.483   3.395
  138   2HB   PHE  19          1HB       PHE  19   0.554 -11.188   1.744
  139    HD1  PHE  19           HD2      PHE  19  -0.062  -9.427   4.972
  140    HD2  PHE  19           HD1      PHE  19   2.069  -9.428   1.280
  141    HE1  PHE  19           HE2      PHE  19   1.234  -7.516   5.736
  142    HE2  PHE  19           HE1      PHE  19   3.386  -7.485   2.084
  143    HZ   PHE  19           HZ       PHE  19   2.998  -6.557   4.260
  144    H    VAL  20           H        VAL  20  -1.328  -7.633   2.474
  145    HA   VAL  20           HA       VAL  20  -2.528  -7.799   5.114
  146    HB   VAL  20           HB       VAL  20  -0.485  -6.538   4.478
  147   1HG1  VAL  20          3HG1      VAL  20  -1.098  -5.673   2.307
  148   2HG1  VAL  20          2HG1      VAL  20  -2.314  -4.596   3.018
  149   3HG1  VAL  20          1HG1      VAL  20  -0.632  -4.411   3.422
  150   1HG2  VAL  20          3HG2      VAL  20  -2.792  -4.991   5.514
  151   2HG2  VAL  20          2HG2      VAL  20  -1.705  -6.080   6.410
  152   3HG2  VAL  20          1HG2      VAL  20  -1.058  -4.611   5.651
  153    H    CYS  21           H        CYS  21  -3.314  -5.918   2.096
  154    HA   CYS  21           HA       CYS  21  -5.741  -4.865   3.072
  155   1HB   CYS  21          2HB       CYS  21  -4.737  -4.171   1.031
  156   2HB   CYS  21          1HB       CYS  21  -4.951  -5.728   0.388
  157    H    GLY  22           H        GLY  22  -5.298  -7.601   0.986
  158   1HA   GLY  22          2HA       GLY  22  -6.453  -9.569   0.683
  159   2HA   GLY  22          1HA       GLY  22  -7.020  -9.381   2.340
  160    H    ASP  23           H        ASP  23  -8.695 -10.275   1.641
  161    HA   ASP  23           HA       ASP  23 -10.645 -10.434   0.089
  162   1HB   ASP  23          2HB       ASP  23 -11.045  -9.845   3.044
  163   2HB   ASP  23          1HB       ASP  23 -12.142 -10.759   2.036
  164    NH1  ARG  24           NH2      ARG  24  -9.535  -6.352   4.771
  165    NH2  ARG  24           NH1      ARG  24 -11.356  -5.131   5.425
  166    H    ARG  24           H        ARG  24 -10.105  -7.711  -0.669
  167    HA   ARG  24           HA       ARG  24 -12.811  -6.813  -1.007
  168   1HB   ARG  24          2HB       ARG  24 -12.159  -4.497   0.070
  169   2HB   ARG  24          1HB       ARG  24 -12.779  -5.802   1.051
  170   1HG   ARG  24          2HG       ARG  24 -10.396  -6.396   1.746
  171   2HG   ARG  24          1HG       ARG  24  -9.810  -5.029   0.810
  172   1HD   ARG  24          2HD       ARG  24 -11.079  -3.494   2.078
  173   2HD   ARG  24          1HD       ARG  24 -12.039  -4.777   2.839
  174    HE   ARG  24           HE       ARG  24  -9.286  -3.936   3.659
  175   1HH1  ARG  24          1HH2      ARG  24  -8.774  -6.454   4.117
  176   2HH1  ARG  24          2HH2      ARG  24  -9.629  -7.038   5.488
  177   1HH2  ARG  24          2HH1      ARG  24 -11.951  -4.339   5.286
  178   2HH2  ARG  24          1HH1      ARG  24 -11.576  -5.748   6.183
  179    H    GLY  25           H        GLY  25  -9.360  -6.327  -1.194
  180   1HA   GLY  25          2HA       GLY  25  -8.376  -6.074  -3.428
  181   2HA   GLY  25          1HA       GLY  25  -9.793  -5.125  -3.861
  182    H    PHE  26           H        PHE  26  -7.456  -3.802  -4.359
  183    HA   PHE  26           HA       PHE  26  -7.206  -1.742  -2.191
  184   1HB   PHE  26          2HB       PHE  26  -4.635  -1.937  -3.009
  185   2HB   PHE  26          1HB       PHE  26  -5.263  -2.628  -1.525
  186    HD1  PHE  26           HD1      PHE  26  -4.852  -3.436  -5.168
  187    HD2  PHE  26           HD2      PHE  26  -5.348  -4.823  -1.238
  188    HE1  PHE  26           HE1      PHE  26  -4.556  -5.709  -5.941
  189    HE2  PHE  26           HE2      PHE  26  -5.049  -7.118  -1.919
  190    HZ   PHE  26           HZ       PHE  26  -4.633  -7.618  -4.341
  191    OH   TYR  27           OH       TYR  27  -9.444   2.610   0.364
  192    H    TYR  27           H        TYR  27  -6.270   0.162  -3.000
  193    HA   TYR  27           HA       TYR  27  -6.273   0.358  -5.954
  194   1HB   TYR  27          2HB       TYR  27  -6.869   2.995  -5.192
  195   2HB   TYR  27          1HB       TYR  27  -8.119   1.841  -5.565
  196    HD1  TYR  27           HD2      TYR  27  -5.966   2.558  -2.489
  197    HD2  TYR  27           HD1      TYR  27  -9.880   1.921  -4.071
  198    HE1  TYR  27           HE2      TYR  27  -6.900   2.779  -0.265
  199    HE2  TYR  27           HE1      TYR  27 -10.808   2.155  -1.820
  200    HH   TYR  27           HH       TYR  27  -9.226   1.794   0.851
  201    H    PHE  28           H        PHE  28  -4.511   1.488  -6.757
  202    HA   PHE  28           HA       PHE  28  -2.259   1.796  -4.942
  203   1HB   PHE  28          2HB       PHE  28  -1.062   2.333  -7.152
  204   2HB   PHE  28          1HB       PHE  28  -1.754   0.725  -7.008
  205    HD1  PHE  28           HD2      PHE  28  -2.186   4.067  -8.552
  206    HD2  PHE  28           HD1      PHE  28  -3.578   0.043  -8.439
  207    HE1  PHE  28           HE2      PHE  28  -3.476   4.457 -10.592
  208    HE2  PHE  28           HE1      PHE  28  -4.866   0.431 -10.489
  209    HZ   PHE  28           HZ       PHE  28  -4.820   2.641 -11.574
  210    H    SER  29           H        SER  29  -4.572   3.949  -6.188
  211    HA   SER  29           HA       SER  29  -2.851   6.262  -5.359
  212   1HB   SER  29          2HB       SER  29  -4.821   6.175  -7.715
  213   2HB   SER  29          1HB       SER  29  -3.972   7.623  -7.164
  214    HG   SER  29           HG       SER  29  -2.424   6.889  -8.433
  215    NH1  ARG  30           NH1      ARG  30  -4.909   9.987   0.557
  216    NH2  ARG  30           NH2      ARG  30  -2.935  10.555  -0.482
  217    H    ARG  30           H        ARG  30  -5.048   4.679  -4.030
  218    HA   ARG  30           HA       ARG  30  -6.657   5.058  -2.427
  219   1HB   ARG  30          2HB       ARG  30  -6.192   8.035  -2.857
  220   2HB   ARG  30          1HB       ARG  30  -6.767   7.241  -1.413
  221   1HG   ARG  30          2HG       ARG  30  -4.680   6.881  -0.600
  222   2HG   ARG  30          1HG       ARG  30  -4.182   6.094  -2.075
  223   1HD   ARG  30          2HD       ARG  30  -2.823   8.122  -1.641
  224   2HD   ARG  30          1HD       ARG  30  -3.709   8.269  -3.146
  225    HE   ARG  30           HE       ARG  30  -5.248   9.837  -2.077
  226   1HH1  ARG  30          2HH1      ARG  30  -5.794   9.531   0.460
  227   2HH1  ARG  30          1HH1      ARG  30  -4.676  10.401   1.437
  228   1HH2  ARG  30          1HH2      ARG  30  -2.418  10.475  -1.336
  229   2HH2  ARG  30          2HH2      ARG  30  -2.520  11.043   0.288
  230    HA   PRO  31           HA       PRO  31 -10.299   5.670  -4.734
  231   1HB   PRO  31          2HB       PRO  31 -12.246   6.008  -2.966
  232   2HB   PRO  31          1HB       PRO  31 -11.265   4.521  -2.984
  233   1HG   PRO  31          2HG       PRO  31 -10.919   7.006  -1.222
  234   2HG   PRO  31          1HG       PRO  31 -10.987   5.320  -0.688
  235   1HD   PRO  31          2HD       PRO  31  -8.602   6.575  -1.108
  236   2HD   PRO  31          1HD       PRO  31  -8.787   4.847  -1.444
  237    H    ALA  32           H        ALA  32  -8.969   8.172  -3.677
  238    HA   ALA  32           HA       ALA  32 -10.926  10.312  -3.780
  239   1HB   ALA  32          1HB       ALA  32  -7.950  10.473  -4.405
  240   2HB   ALA  32          3HB       ALA  32  -8.983  11.860  -4.119
  241   3HB   ALA  32          2HB       ALA  32  -8.673  10.729  -2.815
  242    H    SER  33           H        SER  33 -10.879  12.076  -5.394
  243    HA   SER  33           HA       SER  33 -11.470  10.968  -8.018
  244   1HB   SER  33          2HB       SER  33 -11.446  13.935  -7.310
  245   2HB   SER  33          1HB       SER  33 -12.487  13.104  -8.467
  246    HG   SER  33           HG       SER  33 -13.818  12.723  -6.852
  247    NH1  ARG  34           NH1      ARG  34  -7.888  13.587 -15.380
  248    NH2  ARG  34           NH2      ARG  34  -9.854  13.743 -16.548
  249    H    ARG  34           H        ARG  34 -10.747  13.169  -9.635
  250    HA   ARG  34           HA       ARG  34  -7.845  12.655  -9.874
  251   1HB   ARG  34          2HB       ARG  34  -8.176  13.339 -12.293
  252   2HB   ARG  34          1HB       ARG  34  -9.091  11.915 -11.834
  253   1HG   ARG  34          2HG       ARG  34 -11.160  13.018 -12.000
  254   2HG   ARG  34          1HG       ARG  34 -10.534  14.524 -11.363
  255   1HD   ARG  34          2HD       ARG  34 -11.197  14.696 -13.767
  256   2HD   ARG  34          1HD       ARG  34  -9.507  15.097 -13.482
  257    HE   ARG  34           HE       ARG  34 -10.065  12.268 -14.191
  258   1HH1  ARG  34          2HH1      ARG  34  -7.465  13.404 -14.493
  259   2HH1  ARG  34          1HH1      ARG  34  -7.306  13.817 -16.160
  260   1HH2  ARG  34          1HH2      ARG  34 -10.851  13.664 -16.532
  261   2HH2  ARG  34          2HH2      ARG  34  -9.410  13.996 -17.406
  262    H    VAL  35           H        VAL  35  -9.565  15.024  -8.811
  263    HA   VAL  35           HA       VAL  35  -8.145  17.211  -9.987
  264    HB   VAL  35           HB       VAL  35  -9.641  17.549  -7.402
  265   1HG1  VAL  35          3HG1      VAL  35  -8.894  19.380  -8.824
  266   2HG1  VAL  35          2HG1      VAL  35  -9.867  18.735 -10.156
  267   3HG1  VAL  35          1HG1      VAL  35 -10.665  19.354  -8.704
  268   1HG2  VAL  35          1HG2      VAL  35 -11.186  16.657  -9.876
  269   2HG2  VAL  35          3HG2      VAL  35 -11.090  15.788  -8.346
  270   3HG2  VAL  35          2HG2      VAL  35 -11.882  17.331  -8.411
  271    H    SER  36           H        SER  36  -7.658  15.098  -7.746
  272    HA   SER  36           HA       SER  36  -6.070  16.295  -5.726
  273   1HB   SER  36          2HB       SER  36  -5.851  13.441  -6.714
  274   2HB   SER  36          1HB       SER  36  -5.413  14.126  -5.150
  275    HG   SER  36           HG       SER  36  -7.832  13.320  -5.992
  276    NH1  ARG  37           NH2      ARG  37  -2.214  21.893  -8.938
  277    NH2  ARG  37           NH1      ARG  37  -0.536  20.476  -9.559
  278    H    ARG  37           H        ARG  37  -5.275  16.259  -8.667
  279    HA   ARG  37           HA       ARG  37  -3.254  16.485  -9.961
  280   1HB   ARG  37          2HB       ARG  37  -2.235  17.115  -7.163
  281   2HB   ARG  37          1HB       ARG  37  -1.521  17.665  -8.691
  282   1HG   ARG  37          2HG       ARG  37  -3.431  19.089  -9.170
  283   2HG   ARG  37          1HG       ARG  37  -4.379  18.374  -7.895
  284   1HD   ARG  37          2HD       ARG  37  -3.629  20.507  -7.090
  285   2HD   ARG  37          1HD       ARG  37  -2.815  19.256  -6.182
  286    HE   ARG  37           HE       ARG  37  -0.802  20.154  -6.968
  287   1HH1  ARG  37          1HH2      ARG  37  -2.887  22.177  -8.254
  288   2HH1  ARG  37          2HH2      ARG  37  -2.163  22.410  -9.791
  289   1HH2  ARG  37          2HH1      ARG  37   0.043  19.694  -9.343
  290   2HH2  ARG  37          1HH1      ARG  37  -0.404  20.934 -10.440
  291    NH1  ARG  38           NH1      ARG  38   1.023  15.114  -5.338
  292    NH2  ARG  38           NH2      ARG  38   3.101  16.071  -5.391
  293    H    ARG  38           H        ARG  38  -0.595  15.706  -8.706
  294    HA   ARG  38           HA       ARG  38  -0.885  12.868  -9.304
  295   1HB   ARG  38          2HB       ARG  38   1.334  13.410  -7.445
  296   2HB   ARG  38          1HB       ARG  38   1.356  12.608  -8.963
  297   1HG   ARG  38          2HG       ARG  38   2.310  14.257 -10.038
  298   2HG   ARG  38          1HG       ARG  38   0.998  15.348  -9.715
  299   1HD   ARG  38          2HD       ARG  38   3.374  14.779  -7.858
  300   2HD   ARG  38          1HD       ARG  38   3.169  16.229  -8.830
  301    HE   ARG  38           HE       ARG  38   1.148  16.767  -7.428
  302   1HH1  ARG  38          2HH1      ARG  38   0.163  14.884  -5.807
  303   2HH1  ARG  38          1HH1      ARG  38   1.112  14.836  -4.382
  304   1HH2  ARG  38          1HH2      ARG  38   3.798  16.550  -5.928
  305   2HH2  ARG  38          2HH2      ARG  38   3.300  15.861  -4.434
  306    H    SER  39           H        SER  39  -0.847  11.233  -7.843
  307    HA   SER  39           HA       SER  39  -0.968  11.418  -4.959
  308   1HB   SER  39          2HB       SER  39  -3.624  11.377  -6.478
  309   2HB   SER  39          1HB       SER  39  -3.510  10.657  -4.874
  310    HG   SER  39           HG       SER  39  -2.833  13.364  -5.589
  311    NH1  ARG  40           NH2      ARG  40   4.447   4.438 -10.342
  312    NH2  ARG  40           NH1      ARG  40   2.807   3.993 -11.874
  313    H    ARG  40           H        ARG  40   0.295   9.711  -7.053
  314    HA   ARG  40           HA       ARG  40  -0.983   7.161  -6.886
  315   1HB   ARG  40          2HB       ARG  40   0.168   8.011  -8.922
  316   2HB   ARG  40          1HB       ARG  40   1.648   8.278  -8.002
  317   1HG   ARG  40          2HG       ARG  40   1.874   6.040  -7.508
  318   2HG   ARG  40          1HG       ARG  40   0.316   5.653  -8.274
  319   1HD   ARG  40          2HD       ARG  40   1.340   6.447 -10.491
  320   2HD   ARG  40          1HD       ARG  40   2.857   6.734  -9.639
  321    HE   ARG  40           HE       ARG  40   1.894   4.004  -9.268
  322   1HH1  ARG  40          1HH2      ARG  40   4.625   4.767  -9.403
  323   2HH1  ARG  40          2HH2      ARG  40   5.231   4.203 -10.916
  324   1HH2  ARG  40          2HH1      ARG  40   1.827   3.963 -12.061
  325   2HH2  ARG  40          1HH1      ARG  40   3.459   3.739 -12.589
  326    H    GLY  41           H        GLY  41   0.257   5.298  -5.979
  327   1HA   GLY  41          2HA       GLY  41   2.136   6.022  -3.779
  328   2HA   GLY  41          1HA       GLY  41   0.695   5.116  -3.391
  329    H    ILE  42           H        ILE  42   0.476   2.986  -4.807
  330    HA   ILE  42           HA       ILE  42   2.349   1.184  -4.194
  331    HB   ILE  42           HB       ILE  42  -0.076   1.333  -5.547
  332   1HG1  ILE  42          2HG1      ILE  42   0.060  -1.114  -5.412
  333   2HG1  ILE  42          1HG1      ILE  42   1.750  -0.922  -4.890
  334   1HG2  ILE  42          2HG2      ILE  42   1.905  -0.108  -7.361
  335   2HG2  ILE  42          1HG2      ILE  42   0.172  -0.115  -7.545
  336   3HG2  ILE  42          3HG2      ILE  42   1.064   1.384  -7.756
  337   1HD1  ILE  42          3HD1      ILE  42   0.978   0.471  -2.995
  338   2HD1  ILE  42          2HD1      ILE  42  -0.672   0.195  -3.503
  339   3HD1  ILE  42          1HD1      ILE  42   0.341  -1.153  -2.985
  340    H    VAL  43           H        VAL  43   3.441  -0.214  -5.704
  341    HA   VAL  43           HA       VAL  43   5.373  -0.764  -6.809
  342    HB   VAL  43           HB       VAL  43   5.755   0.524  -9.014
  343   1HG1  VAL  43          2HG1      VAL  43   4.953  -1.730  -8.929
  344   2HG1  VAL  43          1HG1      VAL  43   3.290  -1.174  -8.707
  345   3HG1  VAL  43          3HG1      VAL  43   4.132  -0.881 -10.221
  346   1HG2  VAL  43          3HG2      VAL  43   2.885   1.398  -8.633
  347   2HG2  VAL  43          2HG2      VAL  43   4.260   2.460  -8.825
  348   3HG2  VAL  43          1HG2      VAL  43   3.753   1.447 -10.150
  349    H    GLU  44           H        GLU  44   5.227   2.777  -7.446
  350    HA   GLU  44           HA       GLU  44   8.002   3.147  -7.155
  351   1HB   GLU  44          2HB       GLU  44   5.603   4.973  -6.739
  352   2HB   GLU  44          1HB       GLU  44   7.235   5.568  -6.462
  353   1HG   GLU  44          2HG       GLU  44   7.957   4.977  -8.657
  354   2HG   GLU  44          1HG       GLU  44   6.549   4.008  -8.975
  355    H    GLU  45           H        GLU  45   5.388   3.032  -4.702
  356    HA   GLU  45           HA       GLU  45   7.346   3.642  -2.637
  357   1HB   GLU  45          2HB       GLU  45   5.572   3.573  -1.171
  358   2HB   GLU  45          1HB       GLU  45   4.630   3.694  -2.624
  359   1HG   GLU  45          2HG       GLU  45   4.611   1.187  -2.726
  360   2HG   GLU  45          1HG       GLU  45   5.350   1.159  -1.143
  361    H    CYS  46           H        CYS  46   5.844   0.450  -3.648
  362    HA   CYS  46           HA       CYS  46   7.826  -0.861  -1.834
  363   1HB   CYS  46          2HB       CYS  46   5.277  -1.523  -2.221
  364   2HB   CYS  46          1HB       CYS  46   6.004  -2.362  -3.566
  365    H    CYS  47           H        CYS  47   6.905  -1.029  -5.191
  366    HA   CYS  47           HA       CYS  47   8.894  -2.861  -6.041
  367   1HB   CYS  47          2HB       CYS  47   6.999  -2.185  -7.509
  368   2HB   CYS  47          1HB       CYS  47   7.673  -0.592  -7.684
  369    H    PHE  48           H        PHE  48   8.976   0.953  -5.769
  370    HA   PHE  48           HA       PHE  48  11.788   0.660  -6.400
  371   1HB   PHE  48          2HB       PHE  48   9.669   2.655  -6.228
  372   2HB   PHE  48          1HB       PHE  48  11.192   3.243  -5.767
  373    HD1  PHE  48           HD1      PHE  48   9.307   1.280  -8.289
  374    HD2  PHE  48           HD2      PHE  48  12.626   3.888  -7.721
  375    HE1  PHE  48           HE1      PHE  48   9.608   1.400 -10.704
  376    HE2  PHE  48           HE2      PHE  48  12.938   4.004 -10.156
  377    HZ   PHE  48           HZ       PHE  48  11.431   2.765 -11.656
  378    NH1  ARG  49           NH1      ARG  49  10.551   7.342  -2.152
  379    NH2  ARG  49           NH2      ARG  49   8.285   7.553  -1.844
  380    H    ARG  49           H        ARG  49   9.746   1.313  -3.325
  381    HA   ARG  49           HA       ARG  49  12.440   1.571  -1.966
  382   1HB   ARG  49          2HB       ARG  49   9.727   1.845  -0.572
  383   2HB   ARG  49          1HB       ARG  49  11.277   2.507  -0.143
  384   1HG   ARG  49          2HG       ARG  49  11.390   3.986  -2.050
  385   2HG   ARG  49          1HG       ARG  49   9.990   3.271  -2.798
  386   1HD   ARG  49          2HD       ARG  49   8.571   4.108  -0.893
  387   2HD   ARG  49          1HD       ARG  49   9.961   5.070  -0.379
  388    HE   ARG  49           HE       ARG  49   8.884   5.239  -3.191
  389   1HH1  ARG  49          2HH1      ARG  49  11.312   6.730  -2.366
  390   2HH1  ARG  49          1HH1      ARG  49  10.749   8.307  -1.988
  391   1HH2  ARG  49          1HH2      ARG  49   7.397   7.089  -1.830
  392   2HH2  ARG  49          2HH2      ARG  49   8.330   8.535  -1.664
  393    H    SER  50           H        SER  50  10.786   0.367   0.353
  394    HA   SER  50           HA       SER  50  11.015  -2.538  -0.311
  395   1HB   SER  50          2HB       SER  50  13.301  -1.874   0.593
  396   2HB   SER  50          1HB       SER  50  12.529  -1.327   2.087
  397    HG   SER  50           HG       SER  50  11.564  -3.515   2.120
  398    H    CYS  51           H        CYS  51   8.781  -1.016   0.149
  399    HA   CYS  51           HA       CYS  51   6.817  -0.815   1.425
  400   1HB   CYS  51          2HB       CYS  51   7.689  -3.644   1.135
  401   2HB   CYS  51          1HB       CYS  51   6.490  -3.464   2.340
  402    H    ASP  52           H        ASP  52   5.990  -2.299   3.654
  403    HA   ASP  52           HA       ASP  52   7.641  -2.243   5.961
  404   1HB   ASP  52          2HB       ASP  52   7.479   0.285   5.692
  405   2HB   ASP  52          1HB       ASP  52   5.735   0.215   5.819
  406    H    LEU  53           H        LEU  53   4.438  -1.013   5.432
  407    HA   LEU  53           HA       LEU  53   2.722  -3.131   5.432
  408   1HB   LEU  53          2HB       LEU  53   4.016  -2.961   8.088
  409   2HB   LEU  53          1HB       LEU  53   2.362  -2.507   8.271
  410    HG   LEU  53           HG       LEU  53   2.792  -4.834   8.630
  411   1HD1  LEU  53          2HD1      LEU  53   0.719  -4.080   6.547
  412   2HD1  LEU  53          1HD1      LEU  53   0.645  -5.578   7.448
  413   3HD1  LEU  53          3HD1      LEU  53   0.516  -4.055   8.290
  414   1HD2  LEU  53          2HD2      LEU  53   4.130  -5.403   6.347
  415   2HD2  LEU  53          1HD2      LEU  53   2.731  -6.409   6.615
  416   3HD2  LEU  53          3HD2      LEU  53   2.636  -5.057   5.539
  417    H    ALA  54           H        ALA  54   2.826  -0.772   7.880
  418    HA   ALA  54           HA       ALA  54   0.584   0.612   8.057
  419   1HB   ALA  54          3HB       ALA  54   2.701   1.549   8.926
  420   2HB   ALA  54          2HB       ALA  54   3.144   2.093   7.314
  421   3HB   ALA  54          1HB       ALA  54   1.747   2.789   8.125
  422    H    LEU  55           H        LEU  55   2.554   1.065   5.150
  423    HA   LEU  55           HA       LEU  55   0.801   2.754   3.765
  424   1HB   LEU  55          2HB       LEU  55   3.258   1.027   3.389
  425   2HB   LEU  55          1HB       LEU  55   2.548   1.732   2.021
  426    HG   LEU  55           HG       LEU  55   3.358   3.294   4.530
  427   1HD1  LEU  55          2HD1      LEU  55   4.900   2.972   1.922
  428   2HD1  LEU  55          1HD1      LEU  55   5.351   4.021   3.259
  429   3HD1  LEU  55          3HD1      LEU  55   5.372   2.282   3.463
  430   1HD2  LEU  55          2HD2      LEU  55   2.757   4.238   1.685
  431   2HD2  LEU  55          1HD2      LEU  55   1.687   4.460   3.057
  432   3HD2  LEU  55          3HD2      LEU  55   3.234   5.272   3.023
  433    H    LEU  56           H        LEU  56   1.755  -0.520   2.766
  434    HA   LEU  56           HA       LEU  56  -0.326  -1.175   1.111
  435   1HB   LEU  56          2HB       LEU  56   0.786  -2.958   3.210
  436   2HB   LEU  56          1HB       LEU  56   0.108  -3.501   1.696
  437    HG   LEU  56           HG       LEU  56   2.208  -3.583   1.005
  438   1HD1  LEU  56          1HD1      LEU  56   1.402  -1.840  -0.455
  439   2HD1  LEU  56          3HD1      LEU  56   1.912  -0.579   0.643
  440   3HD1  LEU  56          2HD1      LEU  56   3.099  -1.587  -0.136
  441   1HD2  LEU  56          3HD2      LEU  56   3.125  -1.518   3.086
  442   2HD2  LEU  56          2HD2      LEU  56   3.251  -3.260   3.168
  443   3HD2  LEU  56          1HD2      LEU  56   4.169  -2.380   1.981
  444    H    GLU  57           H        GLU  57  -0.409  -1.316   4.645
  445    HA   GLU  57           HA       GLU  57  -2.834  -2.593   4.993
  446   1HB   GLU  57          2HB       GLU  57  -1.754  -0.199   6.595
  447   2HB   GLU  57          1HB       GLU  57  -3.021  -1.259   7.161
  448   1HG   GLU  57          2HG       GLU  57  -1.434  -3.174   6.857
  449   2HG   GLU  57          1HG       GLU  57  -0.159  -2.058   6.503
  450    H    THR  58           H        THR  58  -2.199   0.821   4.514
  451    HA   THR  58           HA       THR  58  -5.039   1.507   4.339
  452    HB   THR  58           HB       THR  58  -3.536   3.100   5.457
  453    HG1  THR  58           HG1      THR  58  -5.017   3.736   3.298
  454   1HG2  THR  58          2HG2      THR  58  -2.058   3.329   2.784
  455   2HG2  THR  58          1HG2      THR  58  -1.809   4.361   4.196
  456   3HG2  THR  58          3HG2      THR  58  -1.438   2.672   4.288
  457    OH   TYR  59           OH       TYR  59   1.196   4.261  -1.345
  458    H    TYR  59           H        TYR  59  -2.955   0.221   2.011
  459    HA   TYR  59           HA       TYR  59  -4.057   1.838  -0.242
  460   1HB   TYR  59          2HB       TYR  59  -2.281  -0.571  -0.022
  461   2HB   TYR  59          1HB       TYR  59  -3.023  -0.202  -1.590
  462    HD1  TYR  59           HD1      TYR  59  -2.552   2.080  -2.639
  463    HD2  TYR  59           HD2      TYR  59  -0.578   0.783   0.863
  464    HE1  TYR  59           HE1      TYR  59  -0.874   3.834  -2.941
  465    HE2  TYR  59           HE2      TYR  59   1.091   2.512   0.589
  466    HH   TYR  59           HH       TYR  59   2.010   3.856  -0.995
  467    H    CYS  60           H        CYS  60  -4.879  -0.807   1.633
  468    HA   CYS  60           HA       CYS  60  -6.518  -2.348   0.047
  469   1HB   CYS  60          2HB       CYS  60  -5.745  -2.634   2.427
  470   2HB   CYS  60          1HB       CYS  60  -7.024  -1.574   2.912
  471    H    ALA  61           H        ALA  61  -8.643  -2.468  -0.302
  472    HA   ALA  61           HA       ALA  61 -10.012  -0.049  -1.060
  473   1HB   ALA  61          2HB       ALA  61 -11.008  -2.919  -0.965
  474   2HB   ALA  61          1HB       ALA  61 -11.858  -1.588  -1.736
  475   3HB   ALA  61          3HB       ALA  61 -10.301  -2.110  -2.350
  476    H    THR  62           H        THR  62  -9.814  -1.535   1.875
  477    HA   THR  62           HA       THR  62 -12.511  -1.123   2.833
  478    HB   THR  62           HB       THR  62 -11.101  -2.528   4.243
  479    HG1  THR  62           HG1      THR  62 -10.771  -0.328   5.847
  480   1HG2  THR  62          2HG2      THR  62  -9.115  -0.219   4.330
  481   2HG2  THR  62          1HG2      THR  62  -8.947  -1.726   5.229
  482   3HG2  THR  62          3HG2      THR  62  -8.893  -1.726   3.483
  483    HA   PRO  63           HA       PRO  63 -12.435   3.335   3.024
  484   1HB   PRO  63          2HB       PRO  63 -13.972   3.845   5.279
  485   2HB   PRO  63          1HB       PRO  63 -14.693   3.297   3.759
  486   1HG   PRO  63          2HG       PRO  63 -13.820   1.621   6.168
  487   2HG   PRO  63          1HG       PRO  63 -15.385   1.575   5.345
  488   1HD   PRO  63          2HD       PRO  63 -13.501  -0.255   4.733
  489   2HD   PRO  63          1HD       PRO  63 -14.425   0.466   3.395
  490    H    ALA  64           H        ALA  64 -10.223   3.081   3.339
  491    HA   ALA  64           HA       ALA  64  -9.158   3.839   6.018
  492   1HB   ALA  64          3HB       ALA  64  -7.988   1.916   3.949
  493   2HB   ALA  64          2HB       ALA  64  -7.171   2.382   5.428
  494   3HB   ALA  64          1HB       ALA  64  -8.672   1.473   5.506
  495    H    LYS  65           H        LYS  65  -9.429   6.123   5.148
  496    HA   LYS  65           HA       LYS  65  -7.489   6.864   3.141
  497   1HB   LYS  65          2HB       LYS  65  -9.966   7.951   4.455
  498   2HB   LYS  65          1HB       LYS  65  -8.949   8.872   3.468
  499   1HG   LYS  65          2HG       LYS  65  -9.367   6.814   1.716
  500   2HG   LYS  65          1HG       LYS  65 -10.688   6.430   2.778
  501   1HD   LYS  65          2HD       LYS  65 -10.287   8.966   1.113
  502   2HD   LYS  65          1HD       LYS  65 -11.561   7.794   0.902
  503   1HE   LYS  65          2HE       LYS  65 -11.223   9.655   3.305
  504   2HE   LYS  65          1HE       LYS  65 -12.370   9.869   2.002
  505   1HZ   LYS  65          2HZ       LYS  65 -12.764   7.288   2.979
  506   2HZ   LYS  65          1HZ       LYS  65 -12.627   8.281   4.328
  507   3HZ   LYS  65          3HZ       LYS  65 -13.802   8.616   3.152
  508    H    SER  66           H        SER  66  -5.609   7.018   4.322
  509    HA   SER  66           HA       SER  66  -3.996   7.875   5.649
  510   1HB   SER  66          2HB       SER  66  -6.214   9.775   6.464
  511   2HB   SER  66          1HB       SER  66  -4.491   9.946   6.863
  512    HG   SER  66           HG       SER  66  -4.369  10.876   4.990
  513    H    GLU  67           HN       GLU  67  -3.171   7.455   7.743
  514    HA   GLU  67           HA       GLU  67  -5.068   6.530   9.807
  515   1HB   GLU  67          2HB       GLU  67  -3.934   4.746   8.106
  516   2HB   GLU  67          1HB       GLU  67  -2.555   4.970   9.166
  517   1HG   GLU  67          2HG       GLU  67  -3.786   4.124  11.065
  518   2HG   GLU  67          1HG       GLU  67  -5.304   4.154  10.173
   
  Start of MODEL          13
 Raw file had  518 H/Q atoms
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1   8.800  -7.871   4.556
    2   2H    ALA   1          3H        ALA   1   8.567  -8.745   3.125
    3   3H    ALA   1          2H        ALA   1   7.352  -7.776   3.777
    4    HA   ALA   1           HA       ALA   1   6.567  -9.448   4.981
    5   1HB   ALA   1          2HB       ALA   1   7.549 -10.972   3.206
    6   2HB   ALA   1          1HB       ALA   1   9.054 -11.053   4.114
    7   3HB   ALA   1          3HB       ALA   1   7.579 -11.727   4.788
    8    OH   TYR   2           OH       TYR   2   3.324  -9.062   7.762
    9    H    TYR   2           H        TYR   2   8.972 -11.314   6.352
   10    HA   TYR   2           HA       TYR   2   9.590  -9.168   8.339
   11   1HB   TYR   2          2HB       TYR   2   8.578 -11.880   9.219
   12   2HB   TYR   2          1HB       TYR   2   8.801 -10.436  10.196
   13    HD1  TYR   2           HD2      TYR   2   7.467  -8.281   9.356
   14    HD2  TYR   2           HD1      TYR   2   6.469 -12.272   8.243
   15    HE1  TYR   2           HE2      TYR   2   5.227  -7.543   8.718
   16    HE2  TYR   2           HE1      TYR   2   4.222 -11.520   7.602
   17    HH   TYR   2           HH       TYR   2   2.761  -9.252   8.517
   18    NH1  ARG   3           NH1      ARG   3  11.714 -17.373  10.858
   19    NH2  ARG   3           NH2      ARG   3  13.504 -17.283  12.301
   20    H    ARG   3           H        ARG   3  10.887 -12.330   7.332
   21    HA   ARG   3           HA       ARG   3  13.024 -11.884   9.366
   22   1HB   ARG   3          2HB       ARG   3  12.015 -14.155   9.215
   23   2HB   ARG   3          1HB       ARG   3  12.609 -14.323   7.574
   24   1HG   ARG   3          2HG       ARG   3  14.910 -14.292   8.243
   25   2HG   ARG   3          1HG       ARG   3  14.553 -13.625   9.814
   26   1HD   ARG   3          2HD       ARG   3  13.774 -16.429   8.869
   27   2HD   ARG   3          1HD       ARG   3  15.101 -16.047   9.963
   28    HE   ARG   3           HE       ARG   3  12.847 -14.842  11.127
   29   1HH1  ARG   3          2HH1      ARG   3  11.233 -16.930  10.101
   30   2HH1  ARG   3          1HH1      ARG   3  11.350 -18.228  11.226
   31   1HH2  ARG   3          1HH2      ARG   3  14.317 -16.773  12.584
   32   2HH2  ARG   3          2HH2      ARG   3  13.277 -18.131  12.777
   33    HA   PRO   4           HA       PRO   4  15.403 -10.703   5.628
   34   1HB   PRO   4          2HB       PRO   4  14.608 -11.093   3.060
   35   2HB   PRO   4          1HB       PRO   4  15.299 -12.454   3.942
   36   1HG   PRO   4          2HG       PRO   4  12.322 -11.765   3.640
   37   2HG   PRO   4          1HG       PRO   4  13.117 -13.280   3.228
   38   1HD   PRO   4          2HD       PRO   4  11.939 -12.924   5.712
   39   2HD   PRO   4          1HD       PRO   4  13.409 -13.911   5.512
   40    H    SER   5           H        SER   5  13.936  -9.395   3.353
   41    HA   SER   5           HA       SER   5  11.605  -8.052   4.284
   42   1HB   SER   5          2HB       SER   5  13.608  -7.038   5.632
   43   2HB   SER   5          1HB       SER   5  14.139  -6.397   4.067
   44    HG   SER   5           HG       SER   5  11.469  -5.889   4.428
   45    H    GLU   6           H        GLU   6  10.762  -7.288   2.370
   46    HA   GLU   6           HA       GLU   6  12.504  -7.070  -0.037
   47   1HB   GLU   6          2HB       GLU   6  10.466  -8.316  -1.267
   48   2HB   GLU   6          1HB       GLU   6  11.673  -9.280  -0.440
   49   1HG   GLU   6          2HG       GLU   6   9.057  -8.445   0.868
   50   2HG   GLU   6          1HG       GLU   6   9.265  -9.928  -0.033
   51    H    THR   7           H        THR   7  11.749  -5.462  -1.461
   52    HA   THR   7           HA       THR   7   9.915  -3.567  -0.224
   53    HB   THR   7           HB       THR   7  10.700  -2.166  -2.241
   54    HG1  THR   7           HG1      THR   7  11.291  -3.401  -3.791
   55   1HG2  THR   7          2HG2      THR   7  12.255  -2.422  -0.180
   56   2HG2  THR   7          1HG2      THR   7  13.007  -3.785  -0.993
   57   3HG2  THR   7          3HG2      THR   7  13.095  -2.181  -1.700
   58    H    LEU   8           H        LEU   8   9.647  -6.110  -2.354
   59    HA   LEU   8           HA       LEU   8   7.917  -7.017  -3.568
   60   1HB   LEU   8          2HB       LEU   8   6.445  -5.085  -1.772
   61   2HB   LEU   8          1HB       LEU   8   5.574  -5.745  -3.116
   62    HG   LEU   8           HG       LEU   8   5.326  -7.041  -0.981
   63   1HD1  LEU   8          2HD1      LEU   8   4.984  -8.007  -3.301
   64   2HD1  LEU   8          1HD1      LEU   8   6.653  -8.492  -3.357
   65   3HD1  LEU   8          3HD1      LEU   8   5.584  -9.226  -2.190
   66   1HD2  LEU   8          2HD2      LEU   8   7.480  -6.811  -0.060
   67   2HD2  LEU   8          1HD2      LEU   8   7.019  -8.494  -0.231
   68   3HD2  LEU   8          3HD2      LEU   8   8.182  -7.790  -1.341
   69    H    CYS   9           H        CYS   9   7.429  -6.893  -5.747
   70    HA   CYS   9           HA       CYS   9   6.514  -4.266  -6.761
   71   1HB   CYS   9          2HB       CYS   9   8.983  -4.187  -7.083
   72   2HB   CYS   9          1HB       CYS   9   8.900  -5.659  -8.024
   73    H    GLY  10           H        GLY  10   5.665  -4.244  -8.757
   74   1HA   GLY  10          2HA       GLY  10   4.293  -4.996 -10.510
   75   2HA   GLY  10          1HA       GLY  10   5.320  -6.420 -10.553
   76    H    GLY  11           H        GLY  11   3.626  -7.824 -10.996
   77   1HA   GLY  11          2HA       GLY  11   1.097  -8.005  -9.844
   78   2HA   GLY  11          1HA       GLY  11   2.021  -9.433 -10.319
   79    H    GLU  12           H        GLU  12   4.006  -9.592  -8.626
   80    HA   GLU  12           HA       GLU  12   2.920 -10.696  -6.280
   81   1HB   GLU  12          2HB       GLU  12   5.287 -10.979  -7.268
   82   2HB   GLU  12          1HB       GLU  12   5.707  -9.474  -6.468
   83   1HG   GLU  12          2HG       GLU  12   4.940 -10.516  -4.285
   84   2HG   GLU  12          1HG       GLU  12   4.676 -12.015  -5.157
   85    H    LEU  13           H        LEU  13   3.973  -7.413  -6.923
   86    HA   LEU  13           HA       LEU  13   3.736  -6.532  -4.176
   87   1HB   LEU  13          2HB       LEU  13   5.054  -5.110  -5.248
   88   2HB   LEU  13          1HB       LEU  13   4.287  -5.272  -6.790
   89    HG   LEU  13           HG       LEU  13   2.813  -3.793  -4.602
   90   1HD1  LEU  13          2HD1      LEU  13   5.195  -2.929  -4.732
   91   2HD1  LEU  13          1HD1      LEU  13   4.964  -2.627  -6.444
   92   3HD1  LEU  13          3HD1      LEU  13   4.032  -1.734  -5.261
   93   1HD2  LEU  13          3HD2      LEU  13   1.891  -4.383  -6.864
   94   2HD2  LEU  13          2HD2      LEU  13   2.057  -2.643  -6.666
   95   3HD2  LEU  13          1HD2      LEU  13   3.251  -3.557  -7.589
   96    H    VAL  14           H        VAL  14   1.558  -6.807  -6.950
   97    HA   VAL  14           HA       VAL  14  -0.630  -5.313  -5.714
   98    HB   VAL  14           HB       VAL  14  -0.714  -7.584  -7.816
   99   1HG1  VAL  14          2HG1      VAL  14  -2.952  -7.032  -6.933
  100   2HG1  VAL  14          1HG1      VAL  14  -2.741  -5.340  -7.358
  101   3HG1  VAL  14          3HG1      VAL  14  -2.821  -6.569  -8.615
  102   1HG2  VAL  14          3HG2      VAL  14  -0.414  -4.576  -8.293
  103   2HG2  VAL  14          2HG2      VAL  14   0.825  -5.783  -8.568
  104   3HG2  VAL  14          1HG2      VAL  14  -0.616  -5.781  -9.556
  105    H    ASP  15           H        ASP  15   0.620  -8.540  -5.689
  106    HA   ASP  15           HA       ASP  15  -1.562  -9.722  -4.201
  107   1HB   ASP  15          2HB       ASP  15   1.289 -10.604  -4.586
  108   2HB   ASP  15          1HB       ASP  15   0.064 -11.623  -3.881
  109    H    THR  16           H        THR  16   0.860  -7.567  -3.220
  110    HA   THR  16           HA       THR  16   1.223  -8.668  -0.555
  111    HB   THR  16           HB       THR  16   2.316  -6.498   0.053
  112    HG1  THR  16           HG1      THR  16   1.734  -5.426  -2.453
  113   1HG2  THR  16          1HG2      THR  16   2.710  -7.322  -2.814
  114   2HG2  THR  16          3HG2      THR  16   3.799  -6.271  -1.917
  115   3HG2  THR  16          2HG2      THR  16   3.552  -7.966  -1.445
  116    H    LEU  17           H        LEU  17  -0.323  -5.762  -1.680
  117    HA   LEU  17           HA       LEU  17  -1.943  -5.045   0.481
  118   1HB   LEU  17          2HB       LEU  17  -2.789  -5.257  -2.301
  119   2HB   LEU  17          1HB       LEU  17  -3.523  -4.173  -1.126
  120    HG   LEU  17           HG       LEU  17  -0.599  -3.912  -2.030
  121   1HD1  LEU  17          3HD1      LEU  17  -3.094  -2.438  -2.837
  122   2HD1  LEU  17          2HD1      LEU  17  -1.518  -1.918  -3.245
  123   3HD1  LEU  17          1HD1      LEU  17  -2.068  -3.465  -3.869
  124   1HD2  LEU  17          2HD2      LEU  17  -1.192  -2.939   0.180
  125   2HD2  LEU  17          1HD2      LEU  17  -0.776  -1.729  -1.009
  126   3HD2  LEU  17          3HD2      LEU  17  -2.455  -1.985  -0.599
  127    H    GLN  18           H        GLN  18  -2.334  -7.529  -1.933
  128    HA   GLN  18           HA       GLN  18  -4.965  -8.157  -1.199
  129   1HB   GLN  18          2HB       GLN  18  -3.355  -9.193  -3.163
  130   2HB   GLN  18          1HB       GLN  18  -2.791 -10.237  -1.901
  131   1HG   GLN  18          2HG       GLN  18  -5.056 -11.181  -1.535
  132   2HG   GLN  18          1HG       GLN  18  -5.640 -10.266  -2.923
  133   1HE2  GLN  18          2HE2      GLN  18  -3.166 -12.095  -5.061
  134   2HE2  GLN  18          1HE2      GLN  18  -3.433 -10.479  -4.709
  135    H    PHE  19           H        PHE  19  -1.940  -9.443   0.096
  136    HA   PHE  19           HA       PHE  19  -3.431 -10.934   2.124
  137   1HB   PHE  19          2HB       PHE  19  -1.310 -11.706   2.937
  138   2HB   PHE  19          1HB       PHE  19  -1.088 -11.595   1.209
  139    HD1  PHE  19           HD2      PHE  19  -0.523  -9.607   4.322
  140    HD2  PHE  19           HD1      PHE  19   0.865 -10.506   0.402
  141    HE1  PHE  19           HE2      PHE  19   1.418  -8.244   4.727
  142    HE2  PHE  19           HE1      PHE  19   2.845  -9.116   0.822
  143    HZ   PHE  19           HZ       PHE  19   3.155  -7.997   2.945
  144    H    VAL  20           H        VAL  20  -1.708  -7.653   2.100
  145    HA   VAL  20           HA       VAL  20  -2.341  -7.445   4.904
  146    HB   VAL  20           HB       VAL  20  -1.762  -4.940   3.551
  147   1HG1  VAL  20          1HG1      VAL  20  -1.221  -5.504   5.904
  148   2HG1  VAL  20          3HG1      VAL  20  -0.072  -6.713   5.330
  149   3HG1  VAL  20          2HG1      VAL  20   0.198  -5.001   4.990
  150   1HG2  VAL  20          2HG2      VAL  20   0.093  -7.142   2.702
  151   2HG2  VAL  20          1HG2      VAL  20  -0.722  -5.966   1.724
  152   3HG2  VAL  20          3HG2      VAL  20   0.592  -5.499   2.770
  153    H    CYS  21           H        CYS  21  -3.518  -5.667   1.970
  154    HA   CYS  21           HA       CYS  21  -5.649  -4.433   3.418
  155   1HB   CYS  21          2HB       CYS  21  -4.948  -3.618   1.261
  156   2HB   CYS  21          1HB       CYS  21  -5.394  -4.972   0.480
  157    H    GLY  22           H        GLY  22  -5.760  -7.190   1.217
  158   1HA   GLY  22          2HA       GLY  22  -7.059  -9.203   1.827
  159   2HA   GLY  22          1HA       GLY  22  -8.157  -8.182   2.721
  160    H    ASP  23           H        ASP  23  -9.389  -9.797   1.477
  161    HA   ASP  23           HA       ASP  23 -10.047  -9.477  -1.276
  162   1HB   ASP  23          2HB       ASP  23 -11.864 -11.103  -0.670
  163   2HB   ASP  23          1HB       ASP  23 -10.290 -11.629  -0.115
  164    NH1  ARG  24           NH1      ARG  24  -9.817  -1.250   2.870
  165    NH2  ARG  24           NH2      ARG  24 -11.818  -1.967   3.758
  166    H    ARG  24           H        ARG  24 -10.281  -7.117  -1.021
  167    HA   ARG  24           HA       ARG  24 -13.146  -6.435  -0.998
  168   1HB   ARG  24          2HB       ARG  24 -12.632  -4.395   0.451
  169   2HB   ARG  24          1HB       ARG  24 -12.532  -5.915   1.318
  170   1HG   ARG  24          2HG       ARG  24  -9.962  -5.878   0.906
  171   2HG   ARG  24          1HG       ARG  24 -10.193  -4.302   0.183
  172   1HD   ARG  24          2HD       ARG  24 -11.188  -4.799   2.973
  173   2HD   ARG  24          1HD       ARG  24  -9.506  -4.398   2.636
  174    HE   ARG  24           HE       ARG  24 -11.227  -2.730   1.052
  175   1HH1  ARG  24          2HH1      ARG  24  -9.137  -1.437   2.157
  176   2HH1  ARG  24          1HH1      ARG  24  -9.649  -0.499   3.505
  177   1HH2  ARG  24          1HH2      ARG  24 -12.576  -2.617   3.675
  178   2HH2  ARG  24          2HH2      ARG  24 -11.837  -1.302   4.505
  179    H    GLY  25           H        GLY  25  -9.779  -5.650  -1.373
  180   1HA   GLY  25          2HA       GLY  25  -9.216  -5.116  -3.812
  181   2HA   GLY  25          1HA       GLY  25 -10.475  -3.904  -3.633
  182    H    PHE  26           H        PHE  26  -7.886  -2.991  -4.337
  183    HA   PHE  26           HA       PHE  26  -7.266  -1.206  -2.142
  184   1HB   PHE  26          2HB       PHE  26  -4.827  -2.190  -1.992
  185   2HB   PHE  26          1HB       PHE  26  -6.135  -2.818  -1.029
  186    HD1  PHE  26           HD1      PHE  26  -4.322  -3.576  -4.222
  187    HD2  PHE  26           HD2      PHE  26  -6.887  -4.967  -1.124
  188    HE1  PHE  26           HE1      PHE  26  -4.106  -5.862  -5.046
  189    HE2  PHE  26           HE2      PHE  26  -6.703  -7.212  -1.926
  190    HZ   PHE  26           HZ       PHE  26  -5.293  -7.706  -3.938
  191    OH   TYR  27           OH       TYR  27 -10.824  -0.815  -7.299
  192    H    TYR  27           H        TYR  27  -5.805   0.406  -2.727
  193    HA   TYR  27           HA       TYR  27  -4.463   0.298  -5.332
  194   1HB   TYR  27          2HB       TYR  27  -6.381   2.608  -4.764
  195   2HB   TYR  27          1HB       TYR  27  -5.590   2.238  -6.277
  196    HD1  TYR  27           HD1      TYR  27  -6.401   0.139  -7.568
  197    HD2  TYR  27           HD2      TYR  27  -8.623   1.836  -4.356
  198    HE1  TYR  27           HE1      TYR  27  -8.438  -0.970  -8.378
  199    HE2  TYR  27           HE2      TYR  27 -10.632   0.740  -5.165
  200    HH   TYR  27           HH       TYR  27 -10.725  -1.757  -7.122
  201    H    PHE  28           H        PHE  28  -3.557   2.677  -5.586
  202    HA   PHE  28           HA       PHE  28  -1.572   3.278  -3.693
  203   1HB   PHE  28          2HB       PHE  28  -2.189   4.582  -6.076
  204   2HB   PHE  28          1HB       PHE  28  -2.812   5.735  -4.969
  205    HD1  PHE  28           HD1      PHE  28  -0.962   6.224  -2.867
  206    HD2  PHE  28           HD2      PHE  28   0.000   5.054  -6.844
  207    HE1  PHE  28           HE1      PHE  28   1.236   7.214  -2.659
  208    HE2  PHE  28           HE2      PHE  28   2.173   6.052  -6.633
  209    HZ   PHE  28           HZ       PHE  28   2.832   7.142  -4.527
  210    H    SER  29           H        SER  29  -4.815   3.937  -3.706
  211    HA   SER  29           HA       SER  29  -6.325   4.384  -2.191
  212   1HB   SER  29          2HB       SER  29  -5.768   4.700   0.157
  213   2HB   SER  29          1HB       SER  29  -4.358   3.825  -0.425
  214    HG   SER  29           HG       SER  29  -3.188   5.591  -0.421
  215    NH1  ARG  30           NH1      ARG  30  -0.345  10.463  -6.177
  216    NH2  ARG  30           NH2      ARG  30  -2.028  11.986  -5.804
  217    H    ARG  30           H        ARG  30  -4.232   6.321  -3.429
  218    HA   ARG  30           HA       ARG  30  -5.148   8.902  -2.572
  219   1HB   ARG  30          2HB       ARG  30  -3.565   8.237  -5.077
  220   2HB   ARG  30          1HB       ARG  30  -3.835   9.856  -4.458
  221   1HG   ARG  30          2HG       ARG  30  -2.713   9.259  -2.318
  222   2HG   ARG  30          1HG       ARG  30  -2.462   7.637  -2.893
  223   1HD   ARG  30          2HD       ARG  30  -0.416   8.941  -3.234
  224   2HD   ARG  30          1HD       ARG  30  -1.101   8.534  -4.799
  225    HE   ARG  30           HE       ARG  30  -1.459  11.206  -3.443
  226   1HH1  ARG  30          2HH1      ARG  30   0.256   9.753  -5.800
  227   2HH1  ARG  30          1HH1      ARG  30  -0.234  10.725  -7.135
  228   1HH2  ARG  30          1HH2      ARG  30  -2.698  12.382  -5.175
  229   2HH2  ARG  30          2HH2      ARG  30  -1.979  12.353  -6.730
  230    HA   PRO  31           HA       PRO  31  -8.795   9.003  -5.149
  231   1HB   PRO  31          2HB       PRO  31  -9.486  11.578  -5.017
  232   2HB   PRO  31          1HB       PRO  31  -9.615  10.458  -3.648
  233   1HG   PRO  31          2HG       PRO  31  -7.342  12.425  -4.286
  234   2HG   PRO  31          1HG       PRO  31  -8.209  12.258  -2.754
  235   1HD   PRO  31          2HD       PRO  31  -5.821  10.971  -3.137
  236   2HD   PRO  31          1HD       PRO  31  -7.126  10.159  -2.239
  237    H    ALA  32           H        ALA  32  -7.734   8.444  -6.916
  238    HA   ALA  32           HA       ALA  32  -6.594  10.293  -8.864
  239   1HB   ALA  32          1HB       ALA  32  -7.784   7.517  -9.373
  240   2HB   ALA  32          3HB       ALA  32  -6.792   8.405 -10.521
  241   3HB   ALA  32          2HB       ALA  32  -6.085   7.873  -9.002
  242    H    SER  33           H        SER  33  -7.628  10.460 -11.125
  243    HA   SER  33           HA       SER  33 -10.560  11.058 -10.803
  244   1HB   SER  33          2HB       SER  33  -8.904  12.534 -12.875
  245   2HB   SER  33          1HB       SER  33 -10.249  13.112 -11.903
  246    HG   SER  33           HG       SER  33  -8.423  12.491 -10.140
  247    NH1  ARG  34           NH2      ARG  34 -14.031  12.035 -18.922
  248    NH2  ARG  34           NH1      ARG  34 -12.669  13.743 -19.625
  249    H    ARG  34           H        ARG  34 -11.082  11.399 -13.538
  250    HA   ARG  34           HA       ARG  34 -10.709   8.605 -14.465
  251   1HB   ARG  34          2HB       ARG  34 -12.471   9.192 -16.152
  252   2HB   ARG  34          1HB       ARG  34 -12.992   9.508 -14.521
  253   1HG   ARG  34          2HG       ARG  34 -13.741  11.362 -15.854
  254   2HG   ARG  34          1HG       ARG  34 -12.445  11.964 -14.861
  255   1HD   ARG  34          2HD       ARG  34 -10.898  12.076 -16.694
  256   2HD   ARG  34          1HD       ARG  34 -11.847  10.991 -17.696
  257    HE   ARG  34           HE       ARG  34 -12.704  13.798 -16.976
  258   1HH1  ARG  34          1HH2      ARG  34 -14.301  11.459 -18.149
  259   2HH1  ARG  34          2HH2      ARG  34 -14.474  11.904 -19.808
  260   1HH2  ARG  34          2HH1      ARG  34 -11.944  14.392 -19.390
  261   2HH2  ARG  34          1HH1      ARG  34 -13.029  13.749 -20.559
  262    H    VAL  35           H        VAL  35  -8.865  11.019 -14.582
  263    HA   VAL  35           HA       VAL  35  -8.187  11.412 -17.291
  264    HB   VAL  35           HB       VAL  35  -8.006  12.905 -15.203
  265   1HG1  VAL  35          3HG1      VAL  35  -7.005  11.191 -13.661
  266   2HG1  VAL  35          2HG1      VAL  35  -5.563  11.225 -14.659
  267   3HG1  VAL  35          1HG1      VAL  35  -6.036  12.652 -13.751
  268   1HG2  VAL  35          2HG2      VAL  35  -5.540  12.569 -16.830
  269   2HG2  VAL  35          1HG2      VAL  35  -6.974  13.534 -17.213
  270   3HG2  VAL  35          3HG2      VAL  35  -5.966  13.971 -15.830
  271    H    SER  36           H        SER  36  -8.014   8.728 -15.829
  272    HA   SER  36           HA       SER  36  -6.728   6.755 -15.885
  273   1HB   SER  36          2HB       SER  36  -6.164   7.930 -18.590
  274   2HB   SER  36          1HB       SER  36  -5.926   6.257 -18.021
  275    HG   SER  36           HG       SER  36  -8.315   7.673 -18.469
  276    NH1  ARG  37           NH2      ARG  37  -2.798  14.214 -12.065
  277    NH2  ARG  37           NH1      ARG  37  -4.140  13.383 -10.400
  278    H    ARG  37           H        ARG  37  -5.445   8.628 -14.689
  279    HA   ARG  37           HA       ARG  37  -2.658   9.060 -15.375
  280   1HB   ARG  37          2HB       ARG  37  -3.979  10.403 -13.795
  281   2HB   ARG  37          1HB       ARG  37  -3.917   9.113 -12.600
  282   1HG   ARG  37          2HG       ARG  37  -1.393   9.345 -12.597
  283   2HG   ARG  37          1HG       ARG  37  -1.527  10.708 -13.694
  284   1HD   ARG  37          2HD       ARG  37  -2.545  10.508 -10.821
  285   2HD   ARG  37          1HD       ARG  37  -1.361  11.649 -11.455
  286    HE   ARG  37           HE       ARG  37  -4.066  11.800 -12.658
  287   1HH1  ARG  37          1HH2      ARG  37  -2.261  14.019 -12.887
  288   2HH1  ARG  37          2HH2      ARG  37  -2.814  15.157 -11.731
  289   1HH2  ARG  37          2HH1      ARG  37  -4.586  12.577 -10.014
  290   2HH2  ARG  37          1HH1      ARG  37  -4.249  14.268  -9.944
  291    NH1  ARG  38           NH2      ARG  38  -0.757   6.892 -19.246
  292    NH2  ARG  38           NH1      ARG  38  -2.731   5.856 -18.714
  293    H    ARG  38           H        ARG  38  -0.811   8.026 -14.618
  294    HA   ARG  38           HA       ARG  38  -1.211   5.177 -13.888
  295   1HB   ARG  38          2HB       ARG  38   1.450   6.599 -14.459
  296   2HB   ARG  38          1HB       ARG  38   1.145   4.880 -14.542
  297   1HG   ARG  38          2HG       ARG  38   0.011   6.955 -16.458
  298   2HG   ARG  38          1HG       ARG  38   1.300   5.818 -16.792
  299   1HD   ARG  38          2HD       ARG  38  -0.338   3.913 -16.364
  300   2HD   ARG  38          1HD       ARG  38  -1.615   5.116 -16.226
  301    HE   ARG  38           HE       ARG  38  -0.391   4.230 -18.729
  302   1HH1  ARG  38          1HH2      ARG  38   0.241   6.872 -19.209
  303   2HH1  ARG  38          2HH2      ARG  38  -1.206   7.669 -19.687
  304   1HH2  ARG  38          2HH1      ARG  38  -3.183   5.070 -18.295
  305   2HH2  ARG  38          1HH1      ARG  38  -3.305   6.573 -19.106
  306    H    SER  39           H        SER  39   1.466   5.029 -12.584
  307    HA   SER  39           HA       SER  39   2.165   4.867 -10.361
  308   1HB   SER  39          2HB       SER  39   2.920   7.171 -11.139
  309   2HB   SER  39          1HB       SER  39   1.471   7.847 -10.370
  310    HG   SER  39           HG       SER  39   3.749   6.711  -9.265
  311    NH1  ARG  40           NH2      ARG  40  -6.940   4.618  -6.915
  312    NH2  ARG  40           NH1      ARG  40  -7.855   3.480  -8.677
  313    H    ARG  40           H        ARG  40  -0.144   3.664 -10.199
  314    HA   ARG  40           HA       ARG  40  -1.561   4.716  -7.901
  315   1HB   ARG  40          2HB       ARG  40  -2.416   3.857 -10.509
  316   2HB   ARG  40          1HB       ARG  40  -2.883   2.602  -9.394
  317   1HG   ARG  40          2HG       ARG  40  -3.756   4.517  -7.916
  318   2HG   ARG  40          1HG       ARG  40  -3.370   5.566  -9.286
  319   1HD   ARG  40          2HD       ARG  40  -4.964   4.541 -10.699
  320   2HD   ARG  40          1HD       ARG  40  -5.213   3.158  -9.631
  321    HE   ARG  40           HE       ARG  40  -6.322   5.930  -9.199
  322   1HH1  ARG  40          1HH2      ARG  40  -6.294   5.325  -6.617
  323   2HH1  ARG  40          2HH2      ARG  40  -7.504   4.148  -6.229
  324   1HH2  ARG  40          2HH1      ARG  40  -7.876   3.301  -9.660
  325   2HH2  ARG  40          1HH1      ARG  40  -8.498   2.975  -8.096
  326    H    GLY  41           H        GLY  41  -2.203   2.965  -6.570
  327   1HA   GLY  41          2HA       GLY  41  -1.899   0.955  -5.333
  328   2HA   GLY  41          1HA       GLY  41  -0.884   0.355  -6.672
  329    H    ILE  42           H        ILE  42   0.889  -0.149  -5.122
  330    HA   ILE  42           HA       ILE  42   1.969   1.969  -3.431
  331    HB   ILE  42           HB       ILE  42   3.857  -0.105  -3.684
  332   1HG1  ILE  42          2HG1      ILE  42   2.068  -1.580  -4.700
  333   2HG1  ILE  42          1HG1      ILE  42   2.650  -2.129  -3.145
  334   1HG2  ILE  42          3HG2      ILE  42   1.760   0.478  -1.616
  335   2HG2  ILE  42          2HG2      ILE  42   3.192  -0.541  -1.416
  336   3HG2  ILE  42          1HG2      ILE  42   3.354   1.135  -1.739
  337   1HD1  ILE  42          2HD1      ILE  42   0.674  -1.067  -2.081
  338   2HD1  ILE  42          1HD1      ILE  42   0.020  -0.613  -3.605
  339   3HD1  ILE  42          3HD1      ILE  42   0.317  -2.309  -3.264
  340    H    VAL  43           H        VAL  43   3.133  -0.126  -5.647
  341    HA   VAL  43           HA       VAL  43   4.927  -0.311  -7.168
  342    HB   VAL  43           HB       VAL  43   4.538   1.330  -9.120
  343   1HG1  VAL  43          1HG1      VAL  43   2.234  -0.201  -7.871
  344   2HG1  VAL  43          3HG1      VAL  43   2.356   0.230  -9.576
  345   3HG1  VAL  43          2HG1      VAL  43   3.515  -0.891  -8.859
  346   1HG2  VAL  43          3HG2      VAL  43   3.446   3.277  -7.774
  347   2HG2  VAL  43          2HG2      VAL  43   2.470   2.669  -9.079
  348   3HG2  VAL  43          1HG2      VAL  43   2.128   2.202  -7.433
  349    H    GLU  44           H        GLU  44   5.151   3.126  -7.814
  350    HA   GLU  44           HA       GLU  44   7.859   3.147  -7.546
  351   1HB   GLU  44          2HB       GLU  44   5.757   5.249  -7.090
  352   2HB   GLU  44          1HB       GLU  44   7.467   5.669  -7.140
  353   1HG   GLU  44          2HG       GLU  44   7.663   5.148  -9.375
  354   2HG   GLU  44          1HG       GLU  44   6.596   3.783  -9.324
  355    H    GLU  45           H        GLU  45   5.605   3.311  -4.792
  356    HA   GLU  45           HA       GLU  45   7.871   3.953  -3.010
  357   1HB   GLU  45          2HB       GLU  45   6.143   3.860  -1.192
  358   2HB   GLU  45          1HB       GLU  45   5.537   4.797  -2.548
  359   1HG   GLU  45          2HG       GLU  45   4.573   2.605  -3.291
  360   2HG   GLU  45          1HG       GLU  45   5.090   1.992  -1.728
  361    H    CYS  46           H        CYS  46   5.831   0.931  -3.561
  362    HA   CYS  46           HA       CYS  46   7.813  -0.438  -1.803
  363   1HB   CYS  46          2HB       CYS  46   5.048  -0.777  -2.299
  364   2HB   CYS  46          1HB       CYS  46   5.814  -2.119  -3.079
  365    H    CYS  47           H        CYS  47   6.617  -0.490  -5.137
  366    HA   CYS  47           HA       CYS  47   8.415  -2.508  -5.982
  367   1HB   CYS  47          2HB       CYS  47   6.693  -1.794  -7.561
  368   2HB   CYS  47          1HB       CYS  47   7.431  -0.226  -7.742
  369    H    PHE  48           H        PHE  48   8.828   1.289  -6.285
  370    HA   PHE  48           HA       PHE  48  11.620   0.847  -6.669
  371   1HB   PHE  48          2HB       PHE  48   9.648   3.078  -6.946
  372   2HB   PHE  48          1HB       PHE  48  11.292   3.329  -6.970
  373    HD1  PHE  48           HD2      PHE  48   8.697   1.152  -8.457
  374    HD2  PHE  48           HD1      PHE  48  12.327   3.231  -9.177
  375    HE1  PHE  48           HE2      PHE  48   8.543   0.543 -10.796
  376    HE2  PHE  48           HE1      PHE  48  12.189   2.632 -11.551
  377    HZ   PHE  48           HZ       PHE  48  10.303   1.281 -12.385
  378    NH1  ARG  49           NH1      ARG  49  12.128   6.902  -0.754
  379    NH2  ARG  49           NH2      ARG  49  10.868   8.745  -1.328
  380    H    ARG  49           H        ARG  49   9.589   2.344  -3.939
  381    HA   ARG  49           HA       ARG  49  12.234   3.224  -2.851
  382   1HB   ARG  49          2HB       ARG  49   9.426   3.556  -1.607
  383   2HB   ARG  49          1HB       ARG  49  10.898   4.245  -0.992
  384   1HG   ARG  49          2HG       ARG  49  11.249   5.539  -3.054
  385   2HG   ARG  49          1HG       ARG  49   9.851   4.802  -3.780
  386   1HD   ARG  49          2HD       ARG  49   9.215   7.010  -2.966
  387   2HD   ARG  49          1HD       ARG  49   8.368   5.799  -2.026
  388    HE   ARG  49           HE       ARG  49   9.507   6.574  -0.111
  389   1HH1  ARG  49          2HH1      ARG  49  12.100   5.923  -0.548
  390   2HH1  ARG  49          1HH1      ARG  49  13.004   7.382  -0.749
  391   1HH2  ARG  49          1HH2      ARG  49   9.945   9.075  -1.538
  392   2HH2  ARG  49          2HH2      ARG  49  11.638   9.382  -1.364
  393    H    SER  50           H        SER  50  11.429   2.759  -0.020
  394    HA   SER  50           HA       SER  50  12.509   0.065   0.234
  395   1HB   SER  50          2HB       SER  50  11.558   1.664   2.654
  396   2HB   SER  50          1HB       SER  50  13.026   0.723   2.422
  397    HG   SER  50           HG       SER  50  13.945   2.492   1.725
  398    H    CYS  51           H        CYS  51   9.726   1.523   1.898
  399    HA   CYS  51           HA       CYS  51   7.727   0.572   2.675
  400   1HB   CYS  51          2HB       CYS  51   7.489   0.851   0.160
  401   2HB   CYS  51          1HB       CYS  51   8.011  -0.806   0.054
  402    H    ASP  52           H        ASP  52   7.011  -2.171   1.471
  403    HA   ASP  52           HA       ASP  52   7.847  -4.508   1.734
  404   1HB   ASP  52          2HB       ASP  52   9.724  -3.906   3.308
  405   2HB   ASP  52          1HB       ASP  52   8.562  -3.599   4.585
  406    H    LEU  53           H        LEU  53   6.503  -2.819   4.471
  407    HA   LEU  53           HA       LEU  53   3.851  -4.139   4.206
  408   1HB   LEU  53          2HB       LEU  53   5.820  -5.011   6.107
  409   2HB   LEU  53          1HB       LEU  53   4.738  -4.029   7.055
  410    HG   LEU  53           HG       LEU  53   4.065  -6.444   7.056
  411   1HD1  LEU  53          3HD1      LEU  53   2.075  -4.699   5.553
  412   2HD1  LEU  53          2HD1      LEU  53   1.709  -6.215   6.364
  413   3HD1  LEU  53          1HD1      LEU  53   2.219  -4.839   7.300
  414   1HD2  LEU  53          1HD2      LEU  53   4.868  -7.018   4.739
  415   2HD2  LEU  53          3HD2      LEU  53   3.239  -7.540   5.076
  416   3HD2  LEU  53          2HD2      LEU  53   3.509  -6.135   4.065
  417    H    ALA  54           H        ALA  54   3.245  -2.759   6.927
  418    HA   ALA  54           HA       ALA  54   2.480  -0.693   7.623
  419   1HB   ALA  54          3HB       ALA  54   4.951   0.248   6.106
  420   2HB   ALA  54          2HB       ALA  54   4.023   1.226   7.240
  421   3HB   ALA  54          1HB       ALA  54   4.862  -0.213   7.799
  422    H    LEU  55           H        LEU  55   3.702   0.249   4.401
  423    HA   LEU  55           HA       LEU  55   1.662   2.033   3.822
  424   1HB   LEU  55          2HB       LEU  55   3.951   0.561   2.503
  425   2HB   LEU  55          1HB       LEU  55   2.946   1.562   1.575
  426    HG   LEU  55           HG       LEU  55   4.365   2.529   4.119
  427   1HD1  LEU  55          1HD1      LEU  55   5.187   2.878   1.196
  428   2HD1  LEU  55          3HD1      LEU  55   6.007   3.594   2.579
  429   3HD1  LEU  55          2HD1      LEU  55   6.014   1.852   2.346
  430   1HD2  LEU  55          2HD2      LEU  55   3.169   4.087   1.776
  431   2HD2  LEU  55          1HD2      LEU  55   2.420   3.965   3.356
  432   3HD2  LEU  55          3HD2      LEU  55   3.950   4.802   3.178
  433    H    LEU  56           H        LEU  56   2.326  -1.277   2.788
  434    HA   LEU  56           HA       LEU  56   0.029  -1.525   1.114
  435   1HB   LEU  56          2HB       LEU  56   1.220  -3.656   2.786
  436   2HB   LEU  56          1HB       LEU  56   0.196  -3.936   1.386
  437    HG   LEU  56           HG       LEU  56   2.107  -4.290   0.302
  438   1HD1  LEU  56          1HD1      LEU  56   1.332  -2.330  -0.727
  439   2HD1  LEU  56          3HD1      LEU  56   2.281  -1.300   0.343
  440   3HD1  LEU  56          2HD1      LEU  56   3.093  -2.394  -0.780
  441   1HD2  LEU  56          3HD2      LEU  56   3.506  -4.344   2.251
  442   2HD2  LEU  56          2HD2      LEU  56   4.342  -3.535   0.959
  443   3HD2  LEU  56          1HD2      LEU  56   3.662  -2.590   2.262
  444    H    GLU  57           H        GLU  57   0.390  -1.850   4.541
  445    HA   GLU  57           HA       GLU  57  -1.994  -3.231   5.109
  446   1HB   GLU  57          2HB       GLU  57  -0.782  -0.997   6.863
  447   2HB   GLU  57          1HB       GLU  57  -1.767  -2.333   7.399
  448   1HG   GLU  57          2HG       GLU  57   0.028  -3.911   6.727
  449   2HG   GLU  57          1HG       GLU  57   1.031  -2.581   6.203
  450    H    THR  58           H        THR  58  -1.172   0.163   5.026
  451    HA   THR  58           HA       THR  58  -3.916   1.105   5.262
  452    HB   THR  58           HB       THR  58  -2.068   2.326   6.307
  453    HG1  THR  58           HG1      THR  58  -3.168   4.048   5.824
  454   1HG2  THR  58          3HG2      THR  58  -0.245   1.779   4.674
  455   2HG2  THR  58          2HG2      THR  58  -0.976   2.840   3.502
  456   3HG2  THR  58          1HG2      THR  58  -0.325   3.491   4.988
  457    OH   TYR  59           OH       TYR  59   0.793   5.533  -1.091
  458    H    TYR  59           H        TYR  59  -1.877   0.338   2.461
  459    HA   TYR  59           HA       TYR  59  -3.402   1.984   0.585
  460   1HB   TYR  59          2HB       TYR  59  -1.253  -0.062   0.403
  461   2HB   TYR  59          1HB       TYR  59  -2.246   0.183  -1.043
  462    HD1  TYR  59           HD2      TYR  59  -1.478   2.741   1.551
  463    HD2  TYR  59           HD1      TYR  59  -0.653   1.425  -2.414
  464    HE1  TYR  59           HE2      TYR  59  -0.342   4.869   1.066
  465    HE2  TYR  59           HE1      TYR  59   0.497   3.582  -2.864
  466    HH   TYR  59           HH       TYR  59   1.654   5.243  -1.430
  467    H    CYS  60           H        CYS  60  -4.722  -0.186   2.328
  468    HA   CYS  60           HA       CYS  60  -6.074  -1.940   0.659
  469   1HB   CYS  60          2HB       CYS  60  -5.675  -1.941   3.183
  470   2HB   CYS  60          1HB       CYS  60  -6.972  -0.781   3.301
  471    H    ALA  61           H        ALA  61  -8.366  -1.928  -0.084
  472    HA   ALA  61           HA       ALA  61  -9.693   0.743   0.027
  473   1HB   ALA  61          1HB       ALA  61  -8.369   0.776  -2.059
  474   2HB   ALA  61          3HB       ALA  61  -9.188  -0.708  -2.578
  475   3HB   ALA  61          2HB       ALA  61 -10.102   0.772  -2.397
  476    H    THR  62           H        THR  62 -11.927   0.736  -0.331
  477    HA   THR  62           HA       THR  62 -13.159  -1.900  -0.840
  478    HB   THR  62           HB       THR  62 -12.833  -1.519   1.553
  479    HG1  THR  62           HG1      THR  62 -15.300  -1.867   0.382
  480   1HG2  THR  62          1HG2      THR  62 -13.024   0.930   1.649
  481   2HG2  THR  62          3HG2      THR  62 -14.742   0.798   1.253
  482   3HG2  THR  62          2HG2      THR  62 -14.130   0.144   2.766
  483    HA   PRO  63           HA       PRO  63 -16.243   0.606  -2.820
  484   1HB   PRO  63          2HB       PRO  63 -15.783   3.021  -3.650
  485   2HB   PRO  63          1HB       PRO  63 -16.233   2.743  -1.934
  486   1HG   PRO  63          2HG       PRO  63 -13.425   3.148  -3.104
  487   2HG   PRO  63          1HG       PRO  63 -14.158   4.060  -1.780
  488   1HD   PRO  63          2HD       PRO  63 -12.603   1.847  -1.405
  489   2HD   PRO  63          1HD       PRO  63 -13.905   2.243  -0.242
  490    H    ALA  64           H        ALA  64 -14.534  -1.131  -3.405
  491    HA   ALA  64           HA       ALA  64 -12.637  -0.534  -5.506
  492   1HB   ALA  64          2HB       ALA  64 -12.425  -2.548  -4.015
  493   2HB   ALA  64          1HB       ALA  64 -13.906  -3.195  -4.701
  494   3HB   ALA  64          3HB       ALA  64 -12.483  -3.026  -5.704
  495    H    LYS  65           H        LYS  65 -12.892  -0.795  -7.844
  496    HA   LYS  65           HA       LYS  65 -15.564  -0.479  -8.693
  497   1HB   LYS  65          2HB       LYS  65 -13.506   0.570  -9.673
  498   2HB   LYS  65          1HB       LYS  65 -12.941  -1.029 -10.122
  499   1HG   LYS  65          2HG       LYS  65 -15.568  -0.939 -11.045
  500   2HG   LYS  65          1HG       LYS  65 -14.981   0.704 -11.258
  501   1HD   LYS  65          2HD       LYS  65 -14.430  -0.457 -13.314
  502   2HD   LYS  65          1HD       LYS  65 -12.945  -0.245 -12.392
  503   1HE   LYS  65          2HE       LYS  65 -13.146  -2.537 -13.403
  504   2HE   LYS  65          1HE       LYS  65 -12.892  -2.540 -11.674
  505   1HZ   LYS  65          3HZ       LYS  65 -15.724  -2.641 -12.097
  506   2HZ   LYS  65          2HZ       LYS  65 -14.948  -3.855 -13.008
  507   3HZ   LYS  65          1HZ       LYS  65 -14.694  -3.758 -11.447
  508    H    SER  66           H        SER  66 -16.565  -2.390  -7.948
  509    HA   SER  66           HA       SER  66 -15.548  -5.025  -8.694
  510   1HB   SER  66          2HB       SER  66 -18.445  -4.311  -7.980
  511   2HB   SER  66          1HB       SER  66 -17.598  -5.836  -7.669
  512    HG   SER  66           HG       SER  66 -17.620  -3.621  -6.167
  513    H    GLU  67           HN       GLU  67 -17.473  -6.333  -9.949
  514    HA   GLU  67           HA       GLU  67 -17.643  -5.080 -12.614
  515   1HB   GLU  67          2HB       GLU  67 -17.893  -7.922 -11.562
  516   2HB   GLU  67          1HB       GLU  67 -18.229  -7.486 -13.216
  517   1HG   GLU  67          2HG       GLU  67 -15.826  -8.356 -12.719
  518   2HG   GLU  67          1HG       GLU  67 -15.964  -6.912 -13.689
   
  Start of MODEL          14
 Raw file had  518 H/Q atoms
  Start of MODEL   14
    1   1H    ALA   1          2H        ALA   1   4.753 -19.446   3.990
    2   2H    ALA   1          1H        ALA   1   3.747 -20.737   4.448
    3   3H    ALA   1          3H        ALA   1   3.856 -20.273   2.812
    4    HA   ALA   1           HA       ALA   1   2.240 -18.769   3.058
    5   1HB   ALA   1          3HB       ALA   1   1.333 -20.343   4.877
    6   2HB   ALA   1          2HB       ALA   1   2.303 -19.473   6.061
    7   3HB   ALA   1          1HB       ALA   1   0.991 -18.664   5.232
    8    OH   TYR   2           OH       TYR   2   2.386 -10.358   8.727
    9    H    TYR   2           H        TYR   2   1.848 -16.553   4.116
   10    HA   TYR   2           HA       TYR   2   2.707 -14.451   4.621
   11   1HB   TYR   2          2HB       TYR   2   3.260 -16.096   6.837
   12   2HB   TYR   2          1HB       TYR   2   4.860 -15.507   6.439
   13    HD1  TYR   2           HD2      TYR   2   1.360 -14.401   7.044
   14    HD2  TYR   2           HD1      TYR   2   5.470 -13.233   7.068
   15    HE1  TYR   2           HE2      TYR   2   0.757 -12.269   8.073
   16    HE2  TYR   2           HE1      TYR   2   4.848 -11.104   8.087
   17    HH   TYR   2           HH       TYR   2   2.471  -9.673   8.057
   18    NH1  ARG   3           NH2      ARG   3   2.356 -12.009  -0.996
   19    NH2  ARG   3           NH1      ARG   3   3.531 -13.061  -2.654
   20    H    ARG   3           H        ARG   3   5.240 -13.524   5.112
   21    HA   ARG   3           HA       ARG   3   7.069 -14.634   3.098
   22   1HB   ARG   3          2HB       ARG   3   5.922 -11.774   2.996
   23   2HB   ARG   3          1HB       ARG   3   7.269 -12.319   2.021
   24   1HG   ARG   3          2HG       ARG   3   5.815 -14.202   1.167
   25   2HG   ARG   3          1HG       ARG   3   4.454 -13.478   2.002
   26   1HD   ARG   3          2HD       ARG   3   4.582 -11.468   0.585
   27   2HD   ARG   3          1HD       ARG   3   5.960 -12.150  -0.281
   28    HE   ARG   3           HE       ARG   3   4.188 -14.222  -0.405
   29   1HH1  ARG   3          1HH2      ARG   3   2.260 -11.801  -0.030
   30   2HH1  ARG   3          2HH2      ARG   3   1.680 -11.631  -1.657
   31   1HH2  ARG   3          2HH1      ARG   3   4.324 -13.588  -2.954
   32   2HH2  ARG   3          1HH1      ARG   3   2.852 -12.748  -3.330
   33    HA   PRO   4           HA       PRO   4   9.900 -12.850   6.169
   34   1HB   PRO   4          2HB       PRO   4  12.225 -12.780   4.842
   35   2HB   PRO   4          1HB       PRO   4  11.409 -14.313   5.081
   36   1HG   PRO   4          2HG       PRO   4  11.205 -12.543   2.588
   37   2HG   PRO   4          1HG       PRO   4  11.691 -14.235   2.678
   38   1HD   PRO   4          2HD       PRO   4   9.087 -13.524   2.172
   39   2HD   PRO   4          1HD       PRO   4   9.458 -14.983   3.118
   40    H    SER   5           H        SER   5  11.775 -11.152   4.334
   41    HA   SER   5           HA       SER   5  10.193  -8.640   4.496
   42   1HB   SER   5          2HB       SER   5  13.131  -9.154   5.074
   43   2HB   SER   5          1HB       SER   5  12.342  -7.559   5.192
   44    HG   SER   5           HG       SER   5  11.232  -8.246   6.913
   45    H    GLU   6           H        GLU   6  10.077  -7.569   2.572
   46    HA   GLU   6           HA       GLU   6  12.158  -7.602   0.588
   47   1HB   GLU   6          2HB       GLU   6  10.768  -8.883  -1.121
   48   2HB   GLU   6          1HB       GLU   6  11.277  -9.868   0.237
   49   1HG   GLU   6          2HG       GLU   6   8.802  -8.674   1.099
   50   2HG   GLU   6          1HG       GLU   6   8.555  -9.107  -0.561
   51    H    THR   7           H        THR   7  11.609  -6.139  -1.221
   52    HA   THR   7           HA       THR   7   9.558  -4.143  -0.505
   53    HB   THR   7           HB       THR   7  10.709  -3.208  -2.857
   54    HG1  THR   7           HG1      THR   7  12.464  -4.312  -3.183
   55   1HG2  THR   7          1HG2      THR   7  12.074  -3.020  -0.105
   56   2HG2  THR   7          3HG2      THR   7  12.328  -1.931  -1.467
   57   3HG2  THR   7          2HG2      THR   7  10.791  -1.954  -0.649
   58    H    LEU   8           H        LEU   8  10.300  -6.416  -2.907
   59    HA   LEU   8           HA       LEU   8   9.176  -7.429  -4.674
   60   1HB   LEU   8          2HB       LEU   8   6.608  -6.275  -3.543
   61   2HB   LEU   8          1HB       LEU   8   6.799  -7.658  -4.593
   62    HG   LEU   8           HG       LEU   8   8.335  -8.459  -2.473
   63   1HD1  LEU   8          3HD1      LEU   8   6.041  -6.778  -1.378
   64   2HD1  LEU   8          2HD1      LEU   8   6.949  -7.890  -0.391
   65   3HD1  LEU   8          1HD1      LEU   8   7.720  -6.478  -1.044
   66   1HD2  LEU   8          3HD2      LEU   8   5.348  -8.722  -2.783
   67   2HD2  LEU   8          2HD2      LEU   8   6.548  -9.706  -3.597
   68   3HD2  LEU   8          1HD2      LEU   8   6.367  -9.793  -1.836
   69    H    CYS   9           H        CYS   9   7.781  -7.025  -6.692
   70    HA   CYS   9           HA       CYS   9   7.263  -4.124  -7.110
   71   1HB   CYS   9          2HB       CYS   9   9.678  -4.579  -7.696
   72   2HB   CYS   9          1HB       CYS   9   9.106  -5.507  -9.068
   73    H    GLY  10           H        GLY  10   6.241  -3.485  -8.940
   74   1HA   GLY  10          2HA       GLY  10   4.350  -3.577 -10.342
   75   2HA   GLY  10          1HA       GLY  10   5.304  -4.819 -11.150
   76    H    GLY  11           H        GLY  11   3.816  -6.305 -11.661
   77   1HA   GLY  11          2HA       GLY  11   1.431  -7.003 -10.417
   78   2HA   GLY  11          1HA       GLY  11   2.406  -8.171 -11.317
   79    H    GLU  12           H        GLU  12   4.594  -8.430  -9.808
   80    HA   GLU  12           HA       GLU  12   3.877 -10.290  -7.809
   81   1HB   GLU  12          2HB       GLU  12   6.173 -10.142  -8.765
   82   2HB   GLU  12          1HB       GLU  12   6.409  -8.582  -8.023
   83   1HG   GLU  12          2HG       GLU  12   6.008  -9.771  -5.749
   84   2HG   GLU  12          1HG       GLU  12   6.184 -11.267  -6.645
   85    H    LEU  13           H        LEU  13   4.932  -6.952  -7.431
   86    HA   LEU  13           HA       LEU  13   4.546  -6.772  -4.631
   87   1HB   LEU  13          2HB       LEU  13   5.821  -5.123  -5.556
   88   2HB   LEU  13          1HB       LEU  13   4.810  -4.680  -6.865
   89    HG   LEU  13           HG       LEU  13   3.171  -3.832  -4.990
   90   1HD1  LEU  13          2HD1      LEU  13   4.319  -5.075  -3.181
   91   2HD1  LEU  13          1HD1      LEU  13   5.771  -4.157  -3.431
   92   3HD1  LEU  13          3HD1      LEU  13   4.321  -3.399  -2.793
   93   1HD2  LEU  13          2HD2      LEU  13   5.896  -2.617  -5.487
   94   2HD2  LEU  13          1HD2      LEU  13   4.453  -2.425  -6.495
   95   3HD2  LEU  13          3HD2      LEU  13   4.519  -1.730  -4.887
   96    H    VAL  14           H        VAL  14   2.194  -6.566  -7.235
   97    HA   VAL  14           HA       VAL  14   0.094  -5.356  -5.634
   98    HB   VAL  14           HB       VAL  14  -0.201  -7.334  -7.973
   99   1HG1  VAL  14          2HG1      VAL  14  -2.173  -5.250  -6.866
  100   2HG1  VAL  14          1HG1      VAL  14  -2.442  -6.285  -8.257
  101   3HG1  VAL  14          3HG1      VAL  14  -2.321  -6.983  -6.656
  102   1HG2  VAL  14          3HG2      VAL  14  -0.107  -4.272  -7.927
  103   2HG2  VAL  14          2HG2      VAL  14   1.156  -5.305  -8.554
  104   3HG2  VAL  14          1HG2      VAL  14  -0.397  -5.254  -9.354
  105    H    ASP  15           H        ASP  15   1.448  -8.595  -5.948
  106    HA   ASP  15           HA       ASP  15  -0.663  -9.913  -4.460
  107   1HB   ASP  15          2HB       ASP  15   1.199 -11.119  -5.920
  108   2HB   ASP  15          1HB       ASP  15   2.191 -10.930  -4.494
  109    H    THR  16           H        THR  16   1.698  -7.704  -3.648
  110    HA   THR  16           HA       THR  16   2.302  -8.586  -0.917
  111    HB   THR  16           HB       THR  16   2.554  -5.667  -1.968
  112    HG1  THR  16           HG1      THR  16   3.649  -7.921  -2.841
  113   1HG2  THR  16          1HG2      THR  16   3.129  -6.236   0.528
  114   2HG2  THR  16          3HG2      THR  16   4.359  -7.306  -0.120
  115   3HG2  THR  16          2HG2      THR  16   4.446  -5.589  -0.429
  116    H    LEU  17           H        LEU  17   0.371  -5.843  -2.317
  117    HA   LEU  17           HA       LEU  17  -1.077  -5.330   0.064
  118   1HB   LEU  17          2HB       LEU  17  -2.370  -5.479  -2.601
  119   2HB   LEU  17          1HB       LEU  17  -2.855  -4.494  -1.250
  120    HG   LEU  17           HG       LEU  17  -0.185  -3.982  -2.546
  121   1HD1  LEU  17          2HD1      LEU  17  -2.872  -2.748  -3.141
  122   2HD1  LEU  17          1HD1      LEU  17  -1.332  -2.235  -3.818
  123   3HD1  LEU  17          3HD1      LEU  17  -1.967  -3.820  -4.225
  124   1HD2  LEU  17          3HD2      LEU  17  -2.231  -2.389  -0.990
  125   2HD2  LEU  17          2HD2      LEU  17  -0.745  -3.061  -0.378
  126   3HD2  LEU  17          1HD2      LEU  17  -0.703  -1.757  -1.559
  127    H    GLN  18           H        GLN  18  -1.800  -7.423  -2.653
  128    HA   GLN  18           HA       GLN  18  -4.176  -8.512  -1.850
  129   1HB   GLN  18          2HB       GLN  18  -2.681  -8.996  -3.967
  130   2HB   GLN  18          1HB       GLN  18  -1.954 -10.258  -2.975
  131   1HG   GLN  18          2HG       GLN  18  -4.054 -11.431  -2.770
  132   2HG   GLN  18          1HG       GLN  18  -4.945 -10.106  -3.511
  133   1HE2  GLN  18          2HE2      GLN  18  -3.579 -12.841  -5.956
  134   2HE2  GLN  18          1HE2      GLN  18  -4.020 -13.094  -4.333
  135    H    PHE  19           H        PHE  19  -1.036  -9.382  -0.268
  136    HA   PHE  19           HA       PHE  19  -2.465 -11.633   1.008
  137   1HB   PHE  19          2HB       PHE  19  -0.483 -11.944   2.381
  138   2HB   PHE  19          1HB       PHE  19   0.062 -11.631   0.754
  139    HD1  PHE  19           HD1      PHE  19  -0.480  -9.864   4.034
  140    HD2  PHE  19           HD2      PHE  19   1.705 -10.032   0.401
  141    HE1  PHE  19           HE1      PHE  19   1.010  -8.110   4.846
  142    HE2  PHE  19           HE2      PHE  19   3.211  -8.275   1.252
  143    HZ   PHE  19           HZ       PHE  19   2.895  -7.324   3.436
  144    H    VAL  20           H        VAL  20  -1.689  -8.193   1.692
  145    HA   VAL  20           HA       VAL  20  -3.146  -8.435   4.238
  146    HB   VAL  20           HB       VAL  20  -0.900  -6.950   3.181
  147   1HG1  VAL  20          3HG1      VAL  20  -3.040  -5.107   4.263
  148   2HG1  VAL  20          2HG1      VAL  20  -1.351  -4.697   3.992
  149   3HG1  VAL  20          1HG1      VAL  20  -2.377  -5.044   2.629
  150   1HG2  VAL  20          3HG2      VAL  20  -1.152  -8.106   5.336
  151   2HG2  VAL  20          2HG2      VAL  20  -0.628  -6.462   5.550
  152   3HG2  VAL  20          1HG2      VAL  20  -2.300  -6.896   5.874
  153    H    CYS  21           H        CYS  21  -3.454  -6.077   1.477
  154    HA   CYS  21           HA       CYS  21  -5.930  -5.031   2.233
  155   1HB   CYS  21          2HB       CYS  21  -4.452  -4.127   0.646
  156   2HB   CYS  21          1HB       CYS  21  -4.700  -5.407  -0.436
  157    H    GLY  22           H        GLY  22  -5.324  -8.052   1.069
  158   1HA   GLY  22          2HA       GLY  22  -7.803  -8.707  -0.302
  159   2HA   GLY  22          1HA       GLY  22  -6.690  -9.865   0.354
  160    H    ASP  23           H        ASP  23  -8.884  -7.701   1.127
  161    HA   ASP  23           HA       ASP  23 -10.694  -9.201   2.852
  162   1HB   ASP  23          2HB       ASP  23  -8.884  -8.919   4.495
  163   2HB   ASP  23          1HB       ASP  23  -8.852  -7.187   4.236
  164    NH1  ARG  24           NH1      ARG  24 -10.189  -4.305   6.393
  165    NH2  ARG  24           NH2      ARG  24  -9.757  -2.140   6.974
  166    H    ARG  24           H        ARG  24  -9.854  -6.313   1.200
  167    HA   ARG  24           HA       ARG  24 -12.608  -5.335   1.379
  168   1HB   ARG  24          2HB       ARG  24 -11.006  -2.976   1.591
  169   2HB   ARG  24          1HB       ARG  24 -11.996  -3.662   2.867
  170   1HG   ARG  24          2HG       ARG  24 -10.137  -4.951   3.745
  171   2HG   ARG  24          1HG       ARG  24  -9.108  -4.585   2.402
  172   1HD   ARG  24          2HD       ARG  24  -8.396  -3.180   4.209
  173   2HD   ARG  24          1HD       ARG  24  -9.294  -2.119   3.130
  174    HE   ARG  24           HE       ARG  24 -11.212  -2.237   4.670
  175   1HH1  ARG  24          2HH1      ARG  24 -10.440  -4.995   5.699
  176   2HH1  ARG  24          1HH1      ARG  24 -10.016  -4.677   7.303
  177   1HH2  ARG  24          1HH2      ARG  24  -9.693  -1.168   6.713
  178   2HH2  ARG  24          2HH2      ARG  24  -9.551  -2.379   7.918
  179    H    GLY  25           H        GLY  25  -9.265  -4.901   0.237
  180   1HA   GLY  25          2HA       GLY  25  -8.854  -5.358  -2.164
  181   2HA   GLY  25          1HA       GLY  25 -10.396  -4.577  -2.484
  182    H    PHE  26           H        PHE  26  -7.609  -3.873  -3.354
  183    HA   PHE  26           HA       PHE  26  -7.152  -1.277  -2.001
  184   1HB   PHE  26          2HB       PHE  26  -5.005  -1.491  -3.696
  185   2HB   PHE  26          1HB       PHE  26  -5.066  -2.321  -2.141
  186    HD1  PHE  26           HD2      PHE  26  -6.546  -2.864  -5.597
  187    HD2  PHE  26           HD1      PHE  26  -4.588  -4.508  -2.231
  188    HE1  PHE  26           HE2      PHE  26  -6.613  -5.050  -6.643
  189    HE2  PHE  26           HE1      PHE  26  -4.632  -6.704  -3.227
  190    HZ   PHE  26           HZ       PHE  26  -5.650  -7.018  -5.490
  191    OH   TYR  27           OH       TYR  27 -12.322   2.581  -1.115
  192    H    TYR  27           H        TYR  27  -6.238   0.441  -3.216
  193    HA   TYR  27           HA       TYR  27  -8.024   0.867  -5.604
  194   1HB   TYR  27          2HB       TYR  27  -6.776   3.000  -3.742
  195   2HB   TYR  27          1HB       TYR  27  -7.764   3.347  -5.143
  196    HD1  TYR  27           HD2      TYR  27 -10.060   1.399  -4.857
  197    HD2  TYR  27           HD1      TYR  27  -8.054   3.722  -1.883
  198    HE1  TYR  27           HE2      TYR  27 -12.070   1.404  -3.461
  199    HE2  TYR  27           HE1      TYR  27 -10.067   3.711  -0.531
  200    HH   TYR  27           HH       TYR  27 -12.685   3.472  -1.154
  201    H    PHE  28           H        PHE  28  -4.714   1.375  -4.441
  202    HA   PHE  28           HA       PHE  28  -2.787   1.984  -5.478
  203   1HB   PHE  28          2HB       PHE  28  -2.139   0.321  -7.044
  204   2HB   PHE  28          1HB       PHE  28  -2.879  -0.439  -5.645
  205    HD1  PHE  28           HD1      PHE  28  -5.556  -0.928  -6.065
  206    HD2  PHE  28           HD2      PHE  28  -2.645  -0.560  -9.144
  207    HE1  PHE  28           HE1      PHE  28  -7.015  -2.146  -7.584
  208    HE2  PHE  28           HE2      PHE  28  -4.116  -1.798 -10.664
  209    HZ   PHE  28           HZ       PHE  28  -6.306  -2.595  -9.887
  210    H    SER  29           H        SER  29  -5.142   3.403  -6.755
  211    HA   SER  29           HA       SER  29  -4.295   3.703  -9.520
  212   1HB   SER  29          2HB       SER  29  -6.408   5.154  -7.835
  213   2HB   SER  29          1HB       SER  29  -6.216   5.341  -9.590
  214    HG   SER  29           HG       SER  29  -6.834   2.985  -8.103
  215    NH1  ARG  30           NH1      ARG  30  -0.617   8.041  -2.655
  216    NH2  ARG  30           NH2      ARG  30   1.671   8.047  -2.606
  217    H    ARG  30           H        ARG  30  -2.236   4.293  -7.843
  218    HA   ARG  30           HA       ARG  30  -1.820   7.039  -7.307
  219   1HB   ARG  30          2HB       ARG  30   0.098   4.851  -8.196
  220   2HB   ARG  30          1HB       ARG  30   0.730   6.457  -8.097
  221   1HG   ARG  30          2HG       ARG  30  -0.663   5.029  -5.810
  222   2HG   ARG  30          1HG       ARG  30   1.078   5.055  -6.039
  223   1HD   ARG  30          2HD       ARG  30   1.011   7.581  -5.795
  224   2HD   ARG  30          1HD       ARG  30  -0.715   7.467  -5.433
  225    HE   ARG  30           HE       ARG  30   0.855   5.740  -3.674
  226   1HH1  ARG  30          2HH1      ARG  30  -1.436   7.624  -3.049
  227   2HH1  ARG  30          1HH1      ARG  30  -0.711   8.771  -1.979
  228   1HH2  ARG  30          1HH2      ARG  30   2.482   7.544  -2.918
  229   2HH2  ARG  30          2HH2      ARG  30   1.779   8.817  -1.990
  230    HA   PRO  31           HA       PRO  31  -1.947   9.029 -11.172
  231   1HB   PRO  31          2HB       PRO  31  -0.651  11.350 -10.718
  232   2HB   PRO  31          1HB       PRO  31  -1.928  10.841  -9.625
  233   1HG   PRO  31          2HG       PRO  31   1.077  10.297  -9.251
  234   2HG   PRO  31          1HG       PRO  31   0.007  11.170  -8.156
  235   1HD   PRO  31          2HD       PRO  31   0.424   8.489  -7.858
  236   2HD   PRO  31          1HD       PRO  31  -1.180   9.179  -7.506
  237    H    ALA  32           H        ALA  32   0.536  10.687 -11.828
  238    HA   ALA  32           HA       ALA  32   1.646   8.682 -13.664
  239   1HB   ALA  32          2HB       ALA  32   2.394  11.613 -13.293
  240   2HB   ALA  32          1HB       ALA  32   2.970  10.585 -14.591
  241   3HB   ALA  32          3HB       ALA  32   1.262  10.986 -14.496
  242    H    SER  33           H        SER  33   3.887   8.529 -14.024
  243    HA   SER  33           HA       SER  33   5.457   8.281 -11.499
  244   1HB   SER  33          2HB       SER  33   6.387   6.757 -13.880
  245   2HB   SER  33          1HB       SER  33   6.106   6.201 -12.236
  246    HG   SER  33           HG       SER  33   4.484   6.115 -14.408
  247    NH1  ARG  34           NH2      ARG  34   8.467  10.219  -9.060
  248    NH2  ARG  34           NH1      ARG  34  10.204  11.697  -9.343
  249    H    ARG  34           H        ARG  34   7.877   8.007 -12.288
  250    HA   ARG  34           HA       ARG  34   8.476  10.499 -13.836
  251   1HB   ARG  34          2HB       ARG  34  10.663  10.493 -12.591
  252   2HB   ARG  34          1HB       ARG  34   9.271  10.595 -11.535
  253   1HG   ARG  34          2HG       ARG  34   9.493   8.083 -11.079
  254   2HG   ARG  34          1HG       ARG  34  10.841   8.035 -12.201
  255   1HD   ARG  34          2HD       ARG  34  11.842   8.103 -10.055
  256   2HD   ARG  34          1HD       ARG  34  12.015   9.741 -10.653
  257    HE   ARG  34           HE       ARG  34  10.693   9.059  -8.250
  258   1HH1  ARG  34          1HH2      ARG  34   8.205   9.252  -8.949
  259   2HH1  ARG  34          2HH2      ARG  34   7.725  10.884  -9.075
  260   1HH2  ARG  34          2HH1      ARG  34  11.192  11.811  -9.425
  261   2HH2  ARG  34          1HH1      ARG  34   9.623  12.512  -9.394
  262    H    VAL  35           H        VAL  35   8.256   7.475 -14.396
  263    HA   VAL  35           HA       VAL  35  10.626   7.097 -16.050
  264    HB   VAL  35           HB       VAL  35   8.387   5.345 -14.903
  265   1HG1  VAL  35          3HG1      VAL  35  10.820   4.516 -16.394
  266   2HG1  VAL  35          2HG1      VAL  35   9.683   3.455 -15.527
  267   3HG1  VAL  35          1HG1      VAL  35   9.135   4.380 -16.920
  268   1HG2  VAL  35          3HG2      VAL  35  11.342   5.575 -14.133
  269   2HG2  VAL  35          2HG2      VAL  35   9.995   6.178 -13.181
  270   3HG2  VAL  35          1HG2      VAL  35  10.191   4.459 -13.418
  271    H    SER  36           H        SER  36   8.206   8.833 -16.578
  272    HA   SER  36           HA       SER  36   6.840   9.456 -18.347
  273   1HB   SER  36          2HB       SER  36   9.074   7.983 -19.737
  274   2HB   SER  36          1HB       SER  36   7.792   8.915 -20.537
  275    HG   SER  36           HG       SER  36   9.064  10.596 -19.985
  276    NH1  ARG  37           NH2      ARG  37   4.353  -0.543 -19.647
  277    NH2  ARG  37           NH1      ARG  37   6.582  -1.058 -19.516
  278    H    ARG  37           H        ARG  37   6.678   6.640 -17.309
  279    HA   ARG  37           HA       ARG  37   4.604   5.645 -19.208
  280   1HB   ARG  37          2HB       ARG  37   7.045   4.293 -18.559
  281   2HB   ARG  37          1HB       ARG  37   5.848   3.496 -17.551
  282   1HG   ARG  37          2HG       ARG  37   4.416   3.108 -19.614
  283   2HG   ARG  37          1HG       ARG  37   5.612   3.958 -20.565
  284   1HD   ARG  37          2HD       ARG  37   6.069   1.652 -20.944
  285   2HD   ARG  37          1HD       ARG  37   7.323   2.190 -19.842
  286    HE   ARG  37           HE       ARG  37   5.776   1.191 -17.985
  287   1HH1  ARG  37          1HH2      ARG  37   3.646   0.146 -19.488
  288   2HH1  ARG  37          2HH2      ARG  37   4.096  -1.441 -20.008
  289   1HH2  ARG  37          2HH1      ARG  37   7.497  -0.731 -19.276
  290   2HH2  ARG  37          1HH1      ARG  37   6.474  -1.993 -19.851
  291    NH1  ARG  38           NH2      ARG  38  -3.211   3.868 -18.808
  292    NH2  ARG  38           NH1      ARG  38  -2.916   1.600 -19.021
  293    H    ARG  38           H        ARG  38   3.184   4.026 -17.911
  294    HA   ARG  38           HA       ARG  38   2.073   5.511 -15.665
  295   1HB   ARG  38          2HB       ARG  38   1.374   2.629 -16.332
  296   2HB   ARG  38          1HB       ARG  38   0.339   3.861 -15.668
  297   1HG   ARG  38          2HG       ARG  38  -0.031   5.013 -17.655
  298   2HG   ARG  38          1HG       ARG  38   1.414   4.457 -18.441
  299   1HD   ARG  38          2HD       ARG  38  -0.354   3.351 -19.539
  300   2HD   ARG  38          1HD       ARG  38   0.357   2.118 -18.516
  301    HE   ARG  38           HE       ARG  38  -1.571   2.770 -16.852
  302   1HH1  ARG  38          1HH2      ARG  38  -2.875   4.731 -18.429
  303   2HH1  ARG  38          2HH2      ARG  38  -4.035   3.887 -19.364
  304   1HH2  ARG  38          2HH1      ARG  38  -2.357   0.804 -18.785
  305   2HH2  ARG  38          1HH1      ARG  38  -3.723   1.466 -19.602
  306    H    SER  39           H        SER  39   1.547   4.091 -13.653
  307    HA   SER  39           HA       SER  39   3.491   2.140 -12.730
  308   1HB   SER  39          2HB       SER  39   4.904   4.283 -12.740
  309   2HB   SER  39          1HB       SER  39   3.796   4.991 -11.556
  310    HG   SER  39           HG       SER  39   5.375   4.139 -10.407
  311    NH1  ARG  40           NH2      ARG  40  -6.690   2.184 -11.157
  312    NH2  ARG  40           NH1      ARG  40  -6.566   0.316 -12.471
  313    H    ARG  40           H        ARG  40   0.995   1.613 -12.667
  314    HA   ARG  40           HA       ARG  40  -0.428   2.719 -10.442
  315   1HB   ARG  40          2HB       ARG  40  -1.222   1.840 -12.769
  316   2HB   ARG  40          1HB       ARG  40  -1.060   0.218 -12.086
  317   1HG   ARG  40          2HG       ARG  40  -2.421   1.068 -10.199
  318   2HG   ARG  40          1HG       ARG  40  -2.595   2.563 -11.109
  319   1HD   ARG  40          2HD       ARG  40  -3.878   1.518 -12.846
  320   2HD   ARG  40          1HD       ARG  40  -3.443  -0.106 -12.313
  321    HE   ARG  40           HE       ARG  40  -4.814   0.618 -10.143
  322   1HH1  ARG  40          1HH2      ARG  40  -6.270   2.767 -10.453
  323   2HH1  ARG  40          2HH2      ARG  40  -7.585   2.463 -11.490
  324   1HH2  ARG  40          2HH1      ARG  40  -6.018  -0.473 -12.752
  325   2HH2  ARG  40          1HH1      ARG  40  -7.471   0.450 -12.880
  326    H    GLY  41           H        GLY  41  -1.049   1.357  -8.725
  327   1HA   GLY  41          2HA       GLY  41  -0.643  -0.704  -7.261
  328   2HA   GLY  41          1HA       GLY  41   0.823  -0.942  -8.202
  329    H    ILE  42           H        ILE  42   1.378  -0.796  -5.619
  330    HA   ILE  42           HA       ILE  42   1.798   1.790  -4.431
  331    HB   ILE  42           HB       ILE  42   3.954   0.117  -3.692
  332   1HG1  ILE  42          2HG1      ILE  42   2.546  -1.813  -4.728
  333   2HG1  ILE  42          1HG1      ILE  42   2.934  -1.942  -3.031
  334   1HG2  ILE  42          3HG2      ILE  42   2.768   1.766  -2.406
  335   2HG2  ILE  42          2HG2      ILE  42   1.325   0.796  -2.417
  336   3HG2  ILE  42          1HG2      ILE  42   2.787   0.188  -1.605
  337   1HD1  ILE  42          2HD1      ILE  42   0.344  -0.807  -4.070
  338   2HD1  ILE  42          1HD1      ILE  42   0.667  -2.452  -3.519
  339   3HD1  ILE  42          3HD1      ILE  42   0.837  -1.095  -2.414
  340    H    VAL  43           H        VAL  43   3.715  -0.407  -5.819
  341    HA   VAL  43           HA       VAL  43   5.857  -0.555  -6.874
  342    HB   VAL  43           HB       VAL  43   5.863   0.848  -9.045
  343   1HG1  VAL  43          1HG1      VAL  43   5.265  -1.531  -8.949
  344   2HG1  VAL  43          3HG1      VAL  43   3.618  -1.125  -8.475
  345   3HG1  VAL  43          2HG1      VAL  43   4.207  -0.706 -10.076
  346   1HG2  VAL  43          3HG2      VAL  43   4.117   2.589  -8.462
  347   2HG2  VAL  43          2HG2      VAL  43   3.698   1.645  -9.857
  348   3HG2  VAL  43          1HG2      VAL  43   2.945   1.308  -8.322
  349    H    GLU  44           H        GLU  44   5.669   2.967  -7.718
  350    HA   GLU  44           HA       GLU  44   8.332   3.342  -6.961
  351   1HB   GLU  44          2HB       GLU  44   5.955   5.210  -7.106
  352   2HB   GLU  44          1HB       GLU  44   7.426   5.819  -6.354
  353   1HG   GLU  44          2HG       GLU  44   8.741   5.347  -8.268
  354   2HG   GLU  44          1HG       GLU  44   7.520   4.341  -9.000
  355    H    GLU  45           H        GLU  45   5.454   3.196  -5.072
  356    HA   GLU  45           HA       GLU  45   6.662   3.983  -2.575
  357   1HB   GLU  45          2HB       GLU  45   4.111   2.676  -3.477
  358   2HB   GLU  45          1HB       GLU  45   4.435   2.907  -1.754
  359   1HG   GLU  45          2HG       GLU  45   4.820   5.156  -2.068
  360   2HG   GLU  45          1HG       GLU  45   4.820   5.102  -3.815
  361    H    CYS  46           H        CYS  46   5.563   0.557  -3.486
  362    HA   CYS  46           HA       CYS  46   7.318  -0.347  -1.383
  363   1HB   CYS  46          2HB       CYS  46   5.077  -1.502  -3.035
  364   2HB   CYS  46          1HB       CYS  46   6.351  -2.420  -2.562
  365    H    CYS  47           H        CYS  47   7.057  -0.447  -4.852
  366    HA   CYS  47           HA       CYS  47   9.114  -2.393  -5.313
  367   1HB   CYS  47          2HB       CYS  47   7.599  -1.681  -7.167
  368   2HB   CYS  47          1HB       CYS  47   8.373  -0.117  -7.221
  369    H    PHE  48           H        PHE  48   9.118   1.372  -5.249
  370    HA   PHE  48           HA       PHE  48  12.000   1.257  -5.062
  371   1HB   PHE  48          2HB       PHE  48   9.835   3.107  -5.814
  372   2HB   PHE  48          1HB       PHE  48  11.312   3.749  -5.374
  373    HD1  PHE  48           HD2      PHE  48  11.705   0.524  -7.027
  374    HD2  PHE  48           HD1      PHE  48  10.905   4.651  -7.818
  375    HE1  PHE  48           HE2      PHE  48  12.271   0.191  -9.361
  376    HE2  PHE  48           HE1      PHE  48  11.482   4.294 -10.172
  377    HZ   PHE  48           HZ       PHE  48  12.174   2.063 -10.947
  378    NH1  ARG  49           NH2      ARG  49  13.047   7.149  -4.324
  379    NH2  ARG  49           NH1      ARG  49  13.277   8.148  -2.269
  380    H    ARG  49           H        ARG  49   9.221   2.796  -3.049
  381    HA   ARG  49           HA       ARG  49  11.408   3.361  -1.120
  382   1HB   ARG  49          2HB       ARG  49   8.423   4.012  -0.976
  383   2HB   ARG  49          1HB       ARG  49   9.658   4.678   0.063
  384   1HG   ARG  49          2HG       ARG  49   9.376   5.170  -2.931
  385   2HG   ARG  49          1HG       ARG  49   9.125   6.333  -1.643
  386   1HD   ARG  49          2HD       ARG  49  11.590   6.017  -0.980
  387   2HD   ARG  49          1HD       ARG  49  11.785   5.047  -2.440
  388    HE   ARG  49           HE       ARG  49  10.627   7.634  -3.068
  389   1HH1  ARG  49          1HH2      ARG  49  12.456   6.623  -4.938
  390   2HH1  ARG  49          2HH2      ARG  49  13.961   7.406  -4.636
  391   1HH2  ARG  49          2HH1      ARG  49  12.847   8.345  -1.387
  392   2HH2  ARG  49          1HH1      ARG  49  14.205   8.474  -2.444
  393    H    SER  50           H        SER  50   9.924   3.250   1.218
  394    HA   SER  50           HA       SER  50  10.479   0.724   2.252
  395   1HB   SER  50          2HB       SER  50   8.271   2.467   3.397
  396   2HB   SER  50          1HB       SER  50   9.623   1.714   4.253
  397    HG   SER  50           HG       SER  50  10.697   3.499   3.908
  398    H    CYS  51           H        CYS  51   9.198  -1.169   2.421
  399    HA   CYS  51           HA       CYS  51   6.387  -1.036   1.340
  400   1HB   CYS  51          2HB       CYS  51   8.092  -2.059  -0.330
  401   2HB   CYS  51          1HB       CYS  51   8.259  -3.343   0.854
  402    H    ASP  52           H        ASP  52   7.908  -1.204   3.819
  403    HA   ASP  52           HA       ASP  52   7.540  -3.620   5.266
  404   1HB   ASP  52          2HB       ASP  52   7.622  -0.841   6.361
  405   2HB   ASP  52          1HB       ASP  52   8.225  -2.346   7.077
  406    H    LEU  53           H        LEU  53   5.557  -3.909   4.453
  407    HA   LEU  53           HA       LEU  53   3.164  -4.145   4.492
  408   1HB   LEU  53          2HB       LEU  53   4.112  -4.834   6.911
  409   2HB   LEU  53          1HB       LEU  53   3.375  -3.367   7.460
  410    HG   LEU  53           HG       LEU  53   1.609  -4.834   7.838
  411   1HD1  LEU  53          2HD1      LEU  53   0.767  -3.236   6.115
  412   2HD1  LEU  53          1HD1      LEU  53   1.079  -4.408   4.856
  413   3HD1  LEU  53          3HD1      LEU  53  -0.103  -4.729   6.110
  414   1HD2  LEU  53          2HD2      LEU  53   2.857  -6.863   6.982
  415   2HD2  LEU  53          1HD2      LEU  53   1.168  -6.886   6.513
  416   3HD2  LEU  53          3HD2      LEU  53   2.403  -6.426   5.349
  417    H    ALA  54           H        ALA  54   2.454  -1.899   7.025
  418    HA   ALA  54           HA       ALA  54   1.264   0.093   6.790
  419   1HB   ALA  54          1HB       ALA  54   4.102   0.724   5.888
  420   2HB   ALA  54          3HB       ALA  54   2.947   1.926   6.465
  421   3HB   ALA  54          2HB       ALA  54   3.515   0.654   7.536
  422    H    LEU  55           H        LEU  55   3.371   0.912   4.049
  423    HA   LEU  55           HA       LEU  55   1.601   2.249   2.549
  424   1HB   LEU  55          2HB       LEU  55   4.189   0.982   2.384
  425   2HB   LEU  55          1HB       LEU  55   3.366   0.642   0.934
  426    HG   LEU  55           HG       LEU  55   3.611   3.358   2.244
  427   1HD1  LEU  55          3HD1      LEU  55   5.314   2.131   0.012
  428   2HD1  LEU  55          2HD1      LEU  55   5.410   3.832   0.467
  429   3HD1  LEU  55          1HD1      LEU  55   5.830   2.578   1.617
  430   1HD2  LEU  55          3HD2      LEU  55   2.697   2.669  -0.575
  431   2HD2  LEU  55          2HD2      LEU  55   1.718   3.345   0.698
  432   3HD2  LEU  55          1HD2      LEU  55   2.996   4.302  -0.019
  433    H    LEU  56           H        LEU  56   1.931  -1.213   2.704
  434    HA   LEU  56           HA       LEU  56   0.059  -1.645   0.581
  435   1HB   LEU  56          2HB       LEU  56   1.053  -3.583   2.686
  436   2HB   LEU  56          1HB       LEU  56   0.049  -4.085   1.374
  437    HG   LEU  56           HG       LEU  56   1.983  -4.640   0.434
  438   1HD1  LEU  56          3HD1      LEU  56   1.258  -2.931  -1.110
  439   2HD1  LEU  56          2HD1      LEU  56   2.155  -1.691  -0.249
  440   3HD1  LEU  56          1HD1      LEU  56   2.998  -2.992  -1.062
  441   1HD2  LEU  56          2HD2      LEU  56   3.348  -4.158   2.420
  442   2HD2  LEU  56          1HD2      LEU  56   4.205  -3.669   0.993
  443   3HD2  LEU  56          3HD2      LEU  56   3.428  -2.459   1.967
  444    H    GLU  57           H        GLU  57  -0.219  -2.135   4.110
  445    HA   GLU  57           HA       GLU  57  -2.874  -3.062   4.026
  446   1HB   GLU  57          2HB       GLU  57  -2.929  -2.121   6.494
  447   2HB   GLU  57          1HB       GLU  57  -1.768  -3.368   6.162
  448   1HG   GLU  57          2HG       GLU  57  -0.038  -1.497   5.811
  449   2HG   GLU  57          1HG       GLU  57  -1.266  -0.368   6.310
  450    H    THR  58           H        THR  58  -1.468   0.080   4.274
  451    HA   THR  58           HA       THR  58  -3.996   1.492   4.461
  452    HB   THR  58           HB       THR  58  -1.775   2.408   5.411
  453    HG1  THR  58           HG1      THR  58  -3.462   3.692   3.595
  454   1HG2  THR  58          1HG2      THR  58  -0.430   1.808   3.270
  455   2HG2  THR  58          3HG2      THR  58  -1.250   3.102   2.465
  456   3HG2  THR  58          2HG2      THR  58  -0.218   3.448   3.851
  457    OH   TYR  59           OH       TYR  59   0.172   3.247  -4.825
  458    H    TYR  59           H        TYR  59  -2.255   0.098   1.834
  459    HA   TYR  59           HA       TYR  59  -3.213   1.987  -0.205
  460   1HB   TYR  59          2HB       TYR  59  -1.457  -0.271  -0.127
  461   2HB   TYR  59          1HB       TYR  59  -2.748  -0.588  -1.273
  462    HD1  TYR  59           HD2      TYR  59  -0.833   2.549  -0.418
  463    HD2  TYR  59           HD1      TYR  59  -2.100  -0.246  -3.364
  464    HE1  TYR  59           HE2      TYR  59   0.234   3.921  -2.188
  465    HE2  TYR  59           HE1      TYR  59  -1.027   1.114  -5.090
  466    HH   TYR  59           HH       TYR  59   1.117   3.437  -4.710
  467    H    CYS  60           H        CYS  60  -4.427  -0.689   1.510
  468    HA   CYS  60           HA       CYS  60  -6.410  -1.528  -0.297
  469   1HB   CYS  60          2HB       CYS  60  -5.527  -2.529   1.960
  470   2HB   CYS  60          1HB       CYS  60  -6.857  -1.638   2.653
  471    H    ALA  61           H        ALA  61  -8.700  -1.389   0.204
  472    HA   ALA  61           HA       ALA  61  -9.611   1.413   0.248
  473   1HB   ALA  61          1HB       ALA  61 -11.121  -1.208  -0.231
  474   2HB   ALA  61          3HB       ALA  61 -11.794   0.386  -0.486
  475   3HB   ALA  61          2HB       ALA  61 -10.467  -0.182  -1.494
  476    H    THR  62           H        THR  62  -8.571   0.578   2.602
  477    HA   THR  62           HA       THR  62 -10.581  -0.405   4.390
  478    HB   THR  62           HB       THR  62  -8.135  -0.704   4.858
  479    HG1  THR  62           HG1      THR  62  -8.239   0.918   6.904
  480   1HG2  THR  62          2HG2      THR  62  -7.218   1.355   3.770
  481   2HG2  THR  62          1HG2      THR  62  -7.833   2.296   5.126
  482   3HG2  THR  62          3HG2      THR  62  -6.584   1.086   5.370
  483    HA   PRO  63           HA       PRO  63 -12.352   3.680   5.100
  484   1HB   PRO  63          2HB       PRO  63 -12.069   5.575   3.357
  485   2HB   PRO  63          1HB       PRO  63 -10.898   5.281   4.690
  486   1HG   PRO  63          2HG       PRO  63 -10.646   4.293   1.789
  487   2HG   PRO  63          1HG       PRO  63  -9.511   5.365   2.634
  488   1HD   PRO  63          2HD       PRO  63  -9.124   2.676   2.717
  489   2HD   PRO  63          1HD       PRO  63  -8.868   3.674   4.165
  490    H    ALA  64           H        ALA  64 -12.899   1.341   3.642
  491    HA   ALA  64           HA       ALA  64 -14.390   1.881   1.238
  492   1HB   ALA  64          2HB       ALA  64 -14.572  -0.503   3.128
  493   2HB   ALA  64          1HB       ALA  64 -15.329  -0.419   1.545
  494   3HB   ALA  64          3HB       ALA  64 -13.596  -0.407   1.670
  495    H    LYS  65           H        LYS  65 -15.794   3.534   1.576
  496    HA   LYS  65           HA       LYS  65 -17.692   3.879   3.561
  497   1HB   LYS  65          2HB       LYS  65 -18.421   5.366   1.495
  498   2HB   LYS  65          1HB       LYS  65 -17.038   5.819   2.442
  499   1HG   LYS  65          2HG       LYS  65 -16.826   5.950  -0.127
  500   2HG   LYS  65          1HG       LYS  65 -15.554   5.052   0.629
  501   1HD   LYS  65          2HD       LYS  65 -16.279   3.834  -1.365
  502   2HD   LYS  65          1HD       LYS  65 -16.837   2.879  -0.024
  503   1HE   LYS  65          2HE       LYS  65 -18.982   4.657  -0.530
  504   2HE   LYS  65          1HE       LYS  65 -18.376   4.260  -2.120
  505   1HZ   LYS  65          1HZ       LYS  65 -18.551   1.842  -0.584
  506   2HZ   LYS  65          3HZ       LYS  65 -19.913   2.727  -0.371
  507   3HZ   LYS  65          2HZ       LYS  65 -19.461   2.279  -1.949
  508    H    SER  66           H        SER  66 -18.273   1.313   3.088
  509    HA   SER  66           HA       SER  66 -20.834   1.391   1.575
  510   1HB   SER  66          2HB       SER  66 -18.980  -1.031   1.770
  511   2HB   SER  66          1HB       SER  66 -20.344  -0.828   0.664
  512    HG   SER  66           HG       SER  66 -17.847  -0.176   0.317
  513    H    GLU  67           HN       GLU  67 -22.442   0.313   2.533
  514    HA   GLU  67           HA       GLU  67 -23.700  -0.884   4.076
  515   1HB   GLU  67          2HB       GLU  67 -21.358  -2.167   4.538
  516   2HB   GLU  67          1HB       GLU  67 -21.251  -1.090   5.913
  517   1HG   GLU  67          2HG       GLU  67 -23.220  -2.019   6.940
  518   2HG   GLU  67          1HG       GLU  67 -23.652  -2.928   5.492
   
  Start of MODEL          15
 Raw file had  518 H/Q atoms
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1   6.508  -2.410   8.916
    2   2H    ALA   1          2H        ALA   1   5.177  -1.576   8.386
    3   3H    ALA   1          1H        ALA   1   6.167  -0.892   9.532
    4    HA   ALA   1           HA       ALA   1   5.094  -1.936  11.253
    5   1HB   ALA   1          1HB       ALA   1   3.329  -3.243   9.049
    6   2HB   ALA   1          3HB       ALA   1   2.905  -3.133  10.740
    7   3HB   ALA   1          2HB       ALA   1   2.979  -1.698   9.785
    8    OH   TYR   2           OH       TYR   2  -0.202  -5.617  13.458
    9    H    TYR   2           H        TYR   2   3.956  -4.764  10.784
   10    HA   TYR   2           HA       TYR   2   5.754  -6.434  11.834
   11   1HB   TYR   2          2HB       TYR   2   4.110  -7.215   9.371
   12   2HB   TYR   2          1HB       TYR   2   4.595  -8.268  10.695
   13    HD1  TYR   2           HD2      TYR   2   3.783  -7.688  13.073
   14    HD2  TYR   2           HD1      TYR   2   2.082  -5.862   9.590
   15    HE1  TYR   2           HE2      TYR   2   1.831  -6.968  14.367
   16    HE2  TYR   2           HE1      TYR   2   0.178  -5.170  10.891
   17    HH   TYR   2           HH       TYR   2  -0.330  -4.679  13.289
   18    NH1  ARG   3           NH1      ARG   3   8.568 -11.790   7.709
   19    NH2  ARG   3           NH2      ARG   3   6.351 -12.023   8.248
   20    H    ARG   3           H        ARG   3   5.890  -5.681   8.406
   21    HA   ARG   3           HA       ARG   3   8.703  -6.683   8.294
   22   1HB   ARG   3          2HB       ARG   3   6.641  -7.005   6.080
   23   2HB   ARG   3          1HB       ARG   3   8.334  -7.384   5.969
   24   1HG   ARG   3          2HG       ARG   3   7.954  -9.023   7.932
   25   2HG   ARG   3          1HG       ARG   3   6.228  -8.821   7.622
   26   1HD   ARG   3          2HD       ARG   3   6.661  -9.361   5.159
   27   2HD   ARG   3          1HD       ARG   3   8.328  -9.656   5.539
   28    HE   ARG   3           HE       ARG   3   6.516 -11.685   5.626
   29   1HH1  ARG   3          2HH1      ARG   3   9.217 -11.453   7.026
   30   2HH1  ARG   3          1HH1      ARG   3   8.910 -12.204   8.554
   31   1HH2  ARG   3          1HH2      ARG   3   5.397 -11.881   7.988
   32   2HH2  ARG   3          2HH2      ARG   3   6.545 -12.448   9.132
   33    HA   PRO   4           HA       PRO   4   8.959  -2.636   6.201
   34   1HB   PRO   4          2HB       PRO   4  10.683  -1.373   7.743
   35   2HB   PRO   4          1HB       PRO   4   9.053  -1.665   8.375
   36   1HG   PRO   4          2HG       PRO   4  11.591  -3.344   8.831
   37   2HG   PRO   4          1HG       PRO   4  10.501  -2.725  10.076
   38   1HD   PRO   4          2HD       PRO   4  10.271  -5.304   8.975
   39   2HD   PRO   4          1HD       PRO   4   8.898  -4.442   9.679
   40    H    SER   5           H        SER   5   9.962  -4.925   5.081
   41    HA   SER   5           HA       SER   5  12.677  -4.054   4.286
   42   1HB   SER   5          2HB       SER   5  12.881  -5.776   6.204
   43   2HB   SER   5          1HB       SER   5  12.148  -6.966   5.118
   44    HG   SER   5           HG       SER   5  14.685  -6.016   5.107
   45    H    GLU   6           H        GLU   6  13.171  -6.470   2.896
   46    HA   GLU   6           HA       GLU   6  13.091  -7.188   0.709
   47   1HB   GLU   6          2HB       GLU   6  10.900  -8.245   0.071
   48   2HB   GLU   6          1HB       GLU   6  11.370  -8.657   1.681
   49   1HG   GLU   6          2HG       GLU   6   9.365  -6.426   1.443
   50   2HG   GLU   6          1HG       GLU   6   8.846  -8.044   1.088
   51    H    THR   7           H        THR   7  10.721  -6.716  -1.079
   52    HA   THR   7           HA       THR   7  10.575  -3.813  -1.365
   53    HB   THR   7           HB       THR   7  11.517  -3.892  -3.761
   54    HG1  THR   7           HG1      THR   7  12.031  -5.793  -4.467
   55   1HG2  THR   7          2HG2      THR   7  13.168  -3.318  -1.846
   56   2HG2  THR   7          1HG2      THR   7  13.576  -5.019  -1.755
   57   3HG2  THR   7          3HG2      THR   7  13.941  -4.107  -3.206
   58    H    LEU   8           H        LEU   8  10.333  -6.645  -3.441
   59    HA   LEU   8           HA       LEU   8   8.488  -7.699  -4.472
   60   1HB   LEU   8          2HB       LEU   8   6.628  -5.824  -2.961
   61   2HB   LEU   8          1HB       LEU   8   6.245  -7.392  -3.614
   62    HG   LEU   8           HG       LEU   8   8.445  -7.518  -1.596
   63   1HD1  LEU   8          3HD1      LEU   8   5.674  -6.608  -0.758
   64   2HD1  LEU   8          2HD1      LEU   8   6.967  -7.055   0.333
   65   3HD1  LEU   8          1HD1      LEU   8   7.117  -5.633  -0.684
   66   1HD2  LEU   8          3HD2      LEU   8   5.725  -8.858  -1.818
   67   2HD2  LEU   8          2HD2      LEU   8   7.214  -9.492  -2.492
   68   3HD2  LEU   8          1HD2      LEU   8   7.032  -9.343  -0.746
   69    H    CYS   9           H        CYS   9   6.966  -7.200  -6.237
   70    HA   CYS   9           HA       CYS   9   6.339  -4.464  -6.887
   71   1HB   CYS   9          2HB       CYS   9   8.748  -4.422  -7.507
   72   2HB   CYS   9          1HB       CYS   9   8.469  -5.733  -8.632
   73    H    GLY  10           H        GLY  10   5.451  -4.328  -9.034
   74   1HA   GLY  10          2HA       GLY  10   3.593  -5.009 -10.369
   75   2HA   GLY  10          1HA       GLY  10   4.784  -6.186 -10.925
   76    H    GLY  11           H        GLY  11   4.113  -8.244 -10.760
   77   1HA   GLY  11          2HA       GLY  11   1.683  -9.111  -9.634
   78   2HA   GLY  11          1HA       GLY  11   3.048 -10.179  -9.946
   79    H    GLU  12           H        GLU  12   4.947  -9.382  -8.281
   80    HA   GLU  12           HA       GLU  12   4.120 -10.469  -5.774
   81   1HB   GLU  12          2HB       GLU  12   6.637  -9.530  -6.952
   82   2HB   GLU  12          1HB       GLU  12   6.497  -8.949  -5.302
   83   1HG   GLU  12          2HG       GLU  12   6.019 -11.183  -4.470
   84   2HG   GLU  12          1HG       GLU  12   6.052 -11.828  -6.086
   85    H    LEU  13           H        LEU  13   3.990  -7.259  -6.959
   86    HA   LEU  13           HA       LEU  13   3.769  -6.202  -4.208
   87   1HB   LEU  13          2HB       LEU  13   4.924  -4.845  -5.523
   88   2HB   LEU  13          1HB       LEU  13   3.899  -4.825  -6.916
   89    HG   LEU  13           HG       LEU  13   2.199  -3.489  -5.475
   90   1HD1  LEU  13          1HD1      LEU  13   4.338  -3.906  -3.416
   91   2HD1  LEU  13          3HD1      LEU  13   3.003  -2.780  -3.220
   92   3HD1  LEU  13          2HD1      LEU  13   2.722  -4.493  -3.297
   93   1HD2  LEU  13          2HD2      LEU  13   5.120  -2.583  -5.400
   94   2HD2  LEU  13          1HD2      LEU  13   4.063  -2.372  -6.773
   95   3HD2  LEU  13          3HD2      LEU  13   3.745  -1.512  -5.265
   96    H    VAL  14           H        VAL  14   1.644  -6.443  -7.090
   97    HA   VAL  14           HA       VAL  14  -0.670  -5.409  -5.761
   98    HB   VAL  14           HB       VAL  14  -0.588  -5.863  -8.272
   99   1HG1  VAL  14          1HG1      VAL  14   0.700  -7.922  -8.239
  100   2HG1  VAL  14          3HG1      VAL  14  -0.632  -8.831  -7.554
  101   3HG1  VAL  14          2HG1      VAL  14  -0.765  -8.157  -9.167
  102   1HG2  VAL  14          3HG2      VAL  14  -2.819  -7.432  -6.898
  103   2HG2  VAL  14          2HG2      VAL  14  -2.841  -5.733  -7.358
  104   3HG2  VAL  14          1HG2      VAL  14  -2.812  -6.967  -8.590
  105    H    ASP  15           H        ASP  15   0.920  -8.516  -5.864
  106    HA   ASP  15           HA       ASP  15  -0.962 -10.137  -4.498
  107   1HB   ASP  15          2HB       ASP  15   1.122 -10.969  -5.640
  108   2HB   ASP  15          1HB       ASP  15   2.060 -10.274  -4.343
  109    H    THR  16           H        THR  16   1.613  -8.131  -3.148
  110    HA   THR  16           HA       THR  16   1.473  -8.967  -0.521
  111    HB   THR  16           HB       THR  16   2.441  -6.823   0.168
  112    HG1  THR  16           HG1      THR  16   2.182  -5.040  -1.236
  113   1HG2  THR  16          1HG2      THR  16   3.021  -7.182  -2.746
  114   2HG2  THR  16          3HG2      THR  16   4.033  -6.300  -1.647
  115   3HG2  THR  16          2HG2      THR  16   3.874  -8.056  -1.497
  116    H    LEU  17           H        LEU  17  -0.220  -6.314  -1.858
  117    HA   LEU  17           HA       LEU  17  -1.884  -5.687   0.370
  118   1HB   LEU  17          2HB       LEU  17  -2.640  -5.594  -2.471
  119   2HB   LEU  17          1HB       LEU  17  -3.325  -4.548  -1.241
  120    HG   LEU  17           HG       LEU  17  -0.319  -4.468  -1.978
  121   1HD1  LEU  17          1HD1      LEU  17  -1.752  -3.639  -3.832
  122   2HD1  LEU  17          3HD1      LEU  17  -2.415  -2.429  -2.710
  123   3HD1  LEU  17          2HD1      LEU  17  -0.694  -2.483  -3.078
  124   1HD2  LEU  17          1HD2      LEU  17  -1.068  -3.615   0.263
  125   2HD2  LEU  17          3HD2      LEU  17  -0.363  -2.398  -0.802
  126   3HD2  LEU  17          2HD2      LEU  17  -2.111  -2.478  -0.559
  127    H    GLN  18           H        GLN  18  -2.074  -8.151  -2.102
  128    HA   GLN  18           HA       GLN  18  -4.807  -8.726  -1.512
  129   1HB   GLN  18          2HB       GLN  18  -3.316  -9.739  -3.567
  130   2HB   GLN  18          1HB       GLN  18  -2.670 -10.828  -2.375
  131   1HG   GLN  18          2HG       GLN  18  -4.447 -11.979  -3.566
  132   2HG   GLN  18          1HG       GLN  18  -4.904 -11.773  -1.885
  133   1HE2  GLN  18          2HE2      GLN  18  -7.957 -10.525  -3.204
  134   2HE2  GLN  18          1HE2      GLN  18  -7.264 -11.753  -2.296
  135    H    PHE  19           H        PHE  19  -1.722  -9.739  -0.097
  136    HA   PHE  19           HA       PHE  19  -3.110 -11.578   1.737
  137   1HB   PHE  19          2HB       PHE  19  -0.979 -11.912   2.885
  138   2HB   PHE  19          1HB       PHE  19  -0.615 -11.878   1.181
  139    HD1  PHE  19           HD1      PHE  19  -0.787  -9.287   3.967
  140    HD2  PHE  19           HD2      PHE  19   1.381 -10.866   0.661
  141    HE1  PHE  19           HE1      PHE  19   0.908  -7.584   4.302
  142    HE2  PHE  19           HE2      PHE  19   3.106  -9.151   1.033
  143    HZ   PHE  19           HZ       PHE  19   2.901  -7.534   2.810
  144    H    VAL  20           H        VAL  20  -1.917  -8.140   1.913
  145    HA   VAL  20           HA       VAL  20  -2.961  -8.074   4.632
  146    HB   VAL  20           HB       VAL  20  -0.901  -6.810   3.203
  147   1HG1  VAL  20          2HG1      VAL  20  -2.922  -4.653   3.784
  148   2HG1  VAL  20          1HG1      VAL  20  -1.209  -4.443   3.452
  149   3HG1  VAL  20          3HG1      VAL  20  -2.280  -5.046   2.212
  150   1HG2  VAL  20          2HG2      VAL  20  -2.199  -6.088   5.811
  151   2HG2  VAL  20          1HG2      VAL  20  -0.965  -7.327   5.546
  152   3HG2  VAL  20          3HG2      VAL  20  -0.591  -5.616   5.270
  153    H    CYS  21           H        CYS  21  -3.705  -6.113   1.670
  154    HA   CYS  21           HA       CYS  21  -6.027  -4.983   2.853
  155   1HB   CYS  21          2HB       CYS  21  -4.974  -4.155   0.816
  156   2HB   CYS  21          1HB       CYS  21  -5.391  -5.517  -0.027
  157    H    GLY  22           H        GLY  22  -5.651  -7.697   0.698
  158   1HA   GLY  22          2HA       GLY  22  -6.816  -9.779   0.770
  159   2HA   GLY  22          1HA       GLY  22  -7.943  -9.084   1.922
  160    H    ASP  23           H        ASP  23  -8.963 -10.576   0.166
  161    HA   ASP  23           HA       ASP  23  -9.762  -9.558  -2.344
  162   1HB   ASP  23          2HB       ASP  23 -11.066 -11.590  -0.491
  163   2HB   ASP  23          1HB       ASP  23 -11.518 -11.322  -2.163
  164    NH1  ARG  24           NH1      ARG  24 -11.729  -3.956   3.240
  165    NH2  ARG  24           NH2      ARG  24 -13.543  -3.509   1.900
  166    H    ARG  24           H        ARG  24 -10.113  -7.445  -1.631
  167    HA   ARG  24           HA       ARG  24 -12.973  -6.829  -1.357
  168   1HB   ARG  24          2HB       ARG  24 -12.749  -5.437   0.611
  169   2HB   ARG  24          1HB       ARG  24 -11.976  -6.948   1.020
  170   1HG   ARG  24          2HG       ARG  24 -10.368  -5.462   1.839
  171   2HG   ARG  24          1HG       ARG  24  -9.748  -5.800   0.269
  172   1HD   ARG  24          2HD       ARG  24  -9.602  -3.438   0.435
  173   2HD   ARG  24          1HD       ARG  24 -10.953  -3.672  -0.614
  174    HE   ARG  24           HE       ARG  24 -11.421  -1.976   1.193
  175   1HH1  ARG  24          2HH1      ARG  24 -10.729  -3.925   3.326
  176   2HH1  ARG  24          1HH1      ARG  24 -12.266  -4.354   3.981
  177   1HH2  ARG  24          1HH2      ARG  24 -13.872  -3.140   1.030
  178   2HH2  ARG  24          2HH2      ARG  24 -14.207  -3.895   2.542
  179    H    GLY  25           H        GLY  25  -9.612  -6.011  -1.786
  180   1HA   GLY  25          2HA       GLY  25  -8.956  -4.988  -3.881
  181   2HA   GLY  25          1HA       GLY  25 -10.394  -4.022  -3.825
  182    H    PHE  26           H        PHE  26  -7.380  -3.695  -3.845
  183    HA   PHE  26           HA       PHE  26  -7.051  -1.534  -1.777
  184   1HB   PHE  26          2HB       PHE  26  -4.534  -2.090  -2.452
  185   2HB   PHE  26          1HB       PHE  26  -5.350  -2.946  -1.172
  186    HD1  PHE  26           HD2      PHE  26  -6.515  -5.134  -1.689
  187    HD2  PHE  26           HD1      PHE  26  -3.813  -3.294  -4.412
  188    HE1  PHE  26           HE2      PHE  26  -6.215  -7.268  -2.765
  189    HE2  PHE  26           HE1      PHE  26  -3.500  -5.447  -5.503
  190    HZ   PHE  26           HZ       PHE  26  -4.693  -7.459  -4.718
  191    OH   TYR  27           OH       TYR  27 -12.036   1.160  -3.515
  192    H    TYR  27           H        TYR  27  -5.682   0.271  -2.579
  193    HA   TYR  27           HA       TYR  27  -6.012   0.561  -5.545
  194   1HB   TYR  27          2HB       TYR  27  -6.136   2.780  -3.454
  195   2HB   TYR  27          1HB       TYR  27  -6.430   2.974  -5.176
  196    HD1  TYR  27           HD1      TYR  27  -8.211   0.756  -5.896
  197    HD2  TYR  27           HD2      TYR  27  -8.132   3.067  -2.321
  198    HE1  TYR  27           HE1      TYR  27 -10.572   0.294  -5.551
  199    HE2  TYR  27           HE2      TYR  27 -10.524   2.598  -1.982
  200    HH   TYR  27           HH       TYR  27 -12.290   0.445  -4.101
  201    H    PHE  28           H        PHE  28  -4.554   1.979  -6.584
  202    HA   PHE  28           HA       PHE  28  -1.864   2.148  -5.293
  203   1HB   PHE  28          2HB       PHE  28  -0.979   1.656  -7.628
  204   2HB   PHE  28          1HB       PHE  28  -1.811   0.295  -6.895
  205    HD1  PHE  28           HD1      PHE  28  -1.997   2.949  -9.438
  206    HD2  PHE  28           HD2      PHE  28  -4.043  -0.384  -7.744
  207    HE1  PHE  28           HE1      PHE  28  -3.554   2.932 -11.337
  208    HE2  PHE  28           HE2      PHE  28  -5.596  -0.389  -9.634
  209    HZ   PHE  28           HZ       PHE  28  -5.362   1.268 -11.436
  210    H    SER  29           H        SER  29  -4.261   3.887  -5.820
  211    HA   SER  29           HA       SER  29  -2.915   6.192  -7.135
  212   1HB   SER  29          2HB       SER  29  -5.853   5.467  -7.550
  213   2HB   SER  29          1HB       SER  29  -4.900   6.675  -8.420
  214    HG   SER  29           HG       SER  29  -4.918   3.931  -8.722
  215    NH1  ARG  30           NH2      ARG  30  -7.930   7.325   0.152
  216    NH2  ARG  30           NH1      ARG  30  -8.841   6.325  -1.693
  217    H    ARG  30           H        ARG  30  -2.741   6.178  -4.513
  218    HA   ARG  30           HA       ARG  30  -5.002   7.638  -3.332
  219   1HB   ARG  30          2HB       ARG  30  -3.012   5.877  -2.306
  220   2HB   ARG  30          1HB       ARG  30  -2.413   7.437  -1.842
  221   1HG   ARG  30          2HG       ARG  30  -3.687   6.463  -0.015
  222   2HG   ARG  30          1HG       ARG  30  -4.502   7.894  -0.555
  223   1HD   ARG  30          2HD       ARG  30  -5.319   5.203  -1.724
  224   2HD   ARG  30          1HD       ARG  30  -5.837   5.577  -0.087
  225    HE   ARG  30           HE       ARG  30  -6.504   7.375  -2.411
  226   1HH1  ARG  30          1HH2      ARG  30  -7.110   7.676   0.608
  227   2HH1  ARG  30          2HH2      ARG  30  -8.797   7.384   0.646
  228   1HH2  ARG  30          2HH1      ARG  30  -8.694   5.971  -2.613
  229   2HH2  ARG  30          1HH1      ARG  30  -9.769   6.282  -1.304
  230    HA   PRO  31           HA       PRO  31  -2.673  11.386  -4.326
  231   1HB   PRO  31          2HB       PRO  31  -4.201  13.322  -3.210
  232   2HB   PRO  31          1HB       PRO  31  -4.944  12.239  -4.382
  233   1HG   PRO  31          2HG       PRO  31  -4.879  11.888  -1.329
  234   2HG   PRO  31          1HG       PRO  31  -6.321  12.005  -2.345
  235   1HD   PRO  31          2HD       PRO  31  -5.236   9.521  -1.734
  236   2HD   PRO  31          1HD       PRO  31  -5.951   9.852  -3.335
  237    H    ALA  32           H        ALA  32  -2.582  13.511  -2.458
  238    HA   ALA  32           HA       ALA  32  -0.527  12.474  -0.554
  239   1HB   ALA  32          2HB       ALA  32   0.194  14.236  -2.209
  240   2HB   ALA  32          1HB       ALA  32  -1.029  15.323  -1.566
  241   3HB   ALA  32          3HB       ALA  32   0.331  14.833  -0.572
  242    H    SER  33           H        SER  33  -0.554  14.556   1.281
  243    HA   SER  33           HA       SER  33  -3.350  14.473   2.388
  244   1HB   SER  33          2HB       SER  33  -0.742  14.174   3.983
  245   2HB   SER  33          1HB       SER  33  -2.385  14.041   4.626
  246    HG   SER  33           HG       SER  33  -0.981  12.247   3.080
  247    NH1  ARG  34           NH2      ARG  34  -7.286  16.959   5.799
  248    NH2  ARG  34           NH1      ARG  34  -8.242  18.192   4.118
  249    H    ARG  34           H        ARG  34  -2.266  16.039   4.731
  250    HA   ARG  34           HA       ARG  34  -2.584  18.674   3.448
  251   1HB   ARG  34          2HB       ARG  34  -2.204  17.957   6.411
  252   2HB   ARG  34          1HB       ARG  34  -2.630  19.538   5.826
  253   1HG   ARG  34          2HG       ARG  34  -4.381  17.060   5.521
  254   2HG   ARG  34          1HG       ARG  34  -4.571  18.271   6.775
  255   1HD   ARG  34          2HD       ARG  34  -4.750  19.977   4.736
  256   2HD   ARG  34          1HD       ARG  34  -5.117  18.540   3.793
  257    HE   ARG  34           HE       ARG  34  -6.828  19.756   5.867
  258   1HH1  ARG  34          1HH2      ARG  34  -6.584  16.929   6.510
  259   2HH1  ARG  34          2HH2      ARG  34  -7.892  16.172   5.676
  260   1HH2  ARG  34          2HH1      ARG  34  -8.221  19.046   3.596
  261   2HH2  ARG  34          1HH1      ARG  34  -8.930  17.502   3.885
  262    H    VAL  35           H        VAL  35  -0.153  16.819   3.568
  263    HA   VAL  35           HA       VAL  35   1.924  18.611   4.494
  264    HB   VAL  35           HB       VAL  35   2.165  15.817   3.263
  265   1HG1  VAL  35          3HG1      VAL  35   4.165  17.111   3.945
  266   2HG1  VAL  35          2HG1      VAL  35   3.445  17.239   5.549
  267   3HG1  VAL  35          1HG1      VAL  35   3.895  15.647   4.918
  268   1HG2  VAL  35          3HG2      VAL  35   1.379  16.385   6.178
  269   2HG2  VAL  35          2HG2      VAL  35   0.310  15.638   5.023
  270   3HG2  VAL  35          1HG2      VAL  35   1.758  14.807   5.522
  271    H    SER  36           H        SER  36   3.544  17.255   2.325
  272    HA   SER  36           HA       SER  36   2.568  18.498  -0.168
  273   1HB   SER  36          2HB       SER  36   5.162  19.429   1.117
  274   2HB   SER  36          1HB       SER  36   4.501  19.791  -0.484
  275    HG   SER  36           HG       SER  36   2.528  20.267   1.238
  276    NH1  ARG  37           NH1      ARG  37   8.315  16.251   3.321
  277    NH2  ARG  37           NH2      ARG  37   6.991  15.620   5.066
  278    H    ARG  37           H        ARG  37   3.023  16.078   0.553
  279    HA   ARG  37           HA       ARG  37   5.491  14.975  -0.681
  280   1HB   ARG  37          2HB       ARG  37   3.274  13.853   1.044
  281   2HB   ARG  37          1HB       ARG  37   4.038  12.733  -0.049
  282   1HG   ARG  37          2HG       ARG  37   5.139  12.693   2.156
  283   2HG   ARG  37          1HG       ARG  37   6.254  13.191   0.906
  284   1HD   ARG  37          2HD       ARG  37   5.874  15.615   1.612
  285   2HD   ARG  37          1HD       ARG  37   4.852  15.019   2.918
  286    HE   ARG  37           HE       ARG  37   7.315  13.630   3.133
  287   1HH1  ARG  37          2HH1      ARG  37   8.605  16.104   2.376
  288   2HH1  ARG  37          1HH1      ARG  37   8.736  16.994   3.840
  289   1HH2  ARG  37          1HH2      ARG  37   6.284  15.000   5.409
  290   2HH2  ARG  37          2HH2      ARG  37   7.348  16.324   5.679
  291    NH1  ARG  38           NH2      ARG  38   6.937  18.205  -2.781
  292    NH2  ARG  38           NH1      ARG  38   8.479  18.350  -4.471
  293    H    ARG  38           H        ARG  38   5.306  13.297  -2.318
  294    HA   ARG  38           HA       ARG  38   3.027  13.713  -4.208
  295   1HB   ARG  38          2HB       ARG  38   6.009  13.383  -4.828
  296   2HB   ARG  38          1HB       ARG  38   4.744  13.604  -6.023
  297   1HG   ARG  38          2HG       ARG  38   4.534  15.811  -5.710
  298   2HG   ARG  38          1HG       ARG  38   4.610  15.725  -3.971
  299   1HD   ARG  38          2HD       ARG  38   7.096  15.478  -4.100
  300   2HD   ARG  38          1HD       ARG  38   7.009  15.608  -5.859
  301    HE   ARG  38           HE       ARG  38   5.888  17.922  -5.366
  302   1HH1  ARG  38          1HH2      ARG  38   6.033  17.879  -2.480
  303   2HH1  ARG  38          2HH2      ARG  38   7.502  18.683  -2.110
  304   1HH2  ARG  38          2HH1      ARG  38   8.695  18.142  -5.428
  305   2HH2  ARG  38          1HH1      ARG  38   9.161  18.819  -3.913
  306    H    SER  39           H        SER  39   4.547  11.751  -5.940
  307    HA   SER  39           HA       SER  39   4.553   9.617  -6.562
  308   1HB   SER  39          2HB       SER  39   4.741   9.355  -3.554
  309   2HB   SER  39          1HB       SER  39   4.577   7.896  -4.549
  310    HG   SER  39           HG       SER  39   6.353   8.536  -5.727
  311    NH1  ARG  40           NH1      ARG  40  -3.215   5.595 -10.864
  312    NH2  ARG  40           NH2      ARG  40  -1.999   6.694 -12.449
  313    H    ARG  40           H        ARG  40   3.245   7.563  -6.693
  314    HA   ARG  40           HA       ARG  40   0.417   8.196  -6.321
  315   1HB   ARG  40          2HB       ARG  40   1.892   7.331  -8.460
  316   2HB   ARG  40          1HB       ARG  40   1.438   5.767  -7.816
  317   1HG   ARG  40          2HG       ARG  40  -0.870   6.741  -7.656
  318   2HG   ARG  40          1HG       ARG  40  -0.197   8.164  -8.462
  319   1HD   ARG  40          2HD       ARG  40   0.469   6.643 -10.408
  320   2HD   ARG  40          1HD       ARG  40  -0.441   5.343  -9.616
  321    HE   ARG  40           HE       ARG  40  -1.958   7.823  -9.862
  322   1HH1  ARG  40          2HH1      ARG  40  -3.331   5.428  -9.880
  323   2HH1  ARG  40          1HH1      ARG  40  -3.820   5.119 -11.496
  324   1HH2  ARG  40          1HH2      ARG  40  -1.266   7.344 -12.655
  325   2HH2  ARG  40          2HH2      ARG  40  -2.491   6.271 -13.208
  326    H    GLY  41           H        GLY  41  -0.057   5.203  -6.557
  327   1HA   GLY  41          2HA       GLY  41  -0.144   4.827  -3.662
  328   2HA   GLY  41          1HA       GLY  41  -0.811   3.706  -4.822
  329    H    ILE  42           H        ILE  42   0.277   2.245  -3.135
  330    HA   ILE  42           HA       ILE  42   2.624   1.599  -2.257
  331    HB   ILE  42           HB       ILE  42   2.569  -0.712  -3.868
  332   1HG1  ILE  42          2HG1      ILE  42   0.356   0.273  -4.795
  333   2HG1  ILE  42          1HG1      ILE  42   0.494  -1.411  -4.338
  334   1HG2  ILE  42          1HG2      ILE  42   1.370  -0.134  -1.247
  335   2HG2  ILE  42          3HG2      ILE  42   1.687  -1.734  -1.952
  336   3HG2  ILE  42          2HG2      ILE  42   3.025  -0.622  -1.618
  337   1HD1  ILE  42          3HD1      ILE  42  -0.362   0.831  -2.563
  338   2HD1  ILE  42          2HD1      ILE  42  -1.490  -0.281  -3.344
  339   3HD1  ILE  42          1HD1      ILE  42  -0.360  -0.832  -2.104
  340    H    VAL  43           H        VAL  43   2.054   0.798  -5.419
  341    HA   VAL  43           HA       VAL  43   4.194  -0.031  -6.677
  342    HB   VAL  43           HB       VAL  43   3.602   2.468  -8.126
  343   1HG1  VAL  43          2HG1      VAL  43   3.041  -0.488  -8.514
  344   2HG1  VAL  43          1HG1      VAL  43   2.928   0.746  -9.775
  345   3HG1  VAL  43          3HG1      VAL  43   4.477   0.380  -9.024
  346   1HG2  VAL  43          3HG2      VAL  43   1.195   0.770  -7.300
  347   2HG2  VAL  43          2HG2      VAL  43   1.484   2.425  -6.775
  348   3HG2  VAL  43          1HG2      VAL  43   1.199   2.087  -8.469
  349    H    GLU  44           H        GLU  44   4.330   3.550  -6.179
  350    HA   GLU  44           HA       GLU  44   7.103   3.453  -6.900
  351   1HB   GLU  44          2HB       GLU  44   5.450   5.547  -5.542
  352   2HB   GLU  44          1HB       GLU  44   7.151   5.788  -5.883
  353   1HG   GLU  44          2HG       GLU  44   6.861   5.512  -8.204
  354   2HG   GLU  44          1HG       GLU  44   5.327   4.677  -8.044
  355    H    GLU  45           H        GLU  45   5.412   3.157  -3.935
  356    HA   GLU  45           HA       GLU  45   7.785   3.238  -2.231
  357   1HB   GLU  45          2HB       GLU  45   4.980   2.274  -1.605
  358   2HB   GLU  45          1HB       GLU  45   6.263   2.616  -0.455
  359   1HG   GLU  45          2HG       GLU  45   6.352   4.863  -1.035
  360   2HG   GLU  45          1HG       GLU  45   5.393   4.697  -2.477
  361    H    CYS  46           H        CYS  46   5.492   0.458  -3.224
  362    HA   CYS  46           HA       CYS  46   7.616  -1.249  -2.021
  363   1HB   CYS  46          2HB       CYS  46   5.045  -1.483  -1.850
  364   2HB   CYS  46          1HB       CYS  46   5.129  -2.068  -3.482
  365    H    CYS  47           H        CYS  47   6.493  -0.374  -5.362
  366    HA   CYS  47           HA       CYS  47   8.341  -2.392  -6.424
  367   1HB   CYS  47          2HB       CYS  47   6.776  -0.235  -7.888
  368   2HB   CYS  47          1HB       CYS  47   8.092  -1.040  -8.638
  369    H    PHE  48           H        PHE  48   8.403   1.248  -6.024
  370    HA   PHE  48           HA       PHE  48  11.118   1.384  -7.104
  371   1HB   PHE  48          2HB       PHE  48   8.849   3.001  -6.686
  372   2HB   PHE  48          1HB       PHE  48  10.171   3.836  -6.041
  373    HD1  PHE  48           HD1      PHE  48  12.178   4.070  -7.933
  374    HD2  PHE  48           HD2      PHE  48   8.101   3.160  -8.775
  375    HE1  PHE  48           HE1      PHE  48  12.454   4.860 -10.233
  376    HE2  PHE  48           HE2      PHE  48   8.364   3.930 -11.042
  377    HZ   PHE  48           HZ       PHE  48  10.563   4.793 -11.815
  378    NH1  ARG  49           NH1      ARG  49   8.621   7.066  -1.357
  379    NH2  ARG  49           NH2      ARG  49   9.628   7.761  -3.290
  380    H    ARG  49           H        ARG  49   9.561   2.203  -3.848
  381    HA   ARG  49           HA       ARG  49  12.327   2.542  -2.812
  382   1HB   ARG  49          2HB       ARG  49   9.747   2.357  -1.129
  383   2HB   ARG  49          1HB       ARG  49  11.278   3.018  -0.654
  384   1HG   ARG  49          2HG       ARG  49   9.630   4.297  -2.821
  385   2HG   ARG  49          1HG       ARG  49   9.421   4.662  -1.122
  386   1HD   ARG  49          2HD       ARG  49  12.099   5.110  -1.273
  387   2HD   ARG  49          1HD       ARG  49  11.711   5.340  -2.970
  388    HE   ARG  49           HE       ARG  49  11.363   7.365  -1.110
  389   1HH1  ARG  49          2HH1      ARG  49   8.706   6.593  -0.478
  390   2HH1  ARG  49          1HH1      ARG  49   7.723   7.416  -1.632
  391   1HH2  ARG  49          1HH2      ARG  49  10.471   7.817  -3.826
  392   2HH2  ARG  49          2HH2      ARG  49   8.775   8.134  -3.676
  393    H    SER  50           H        SER  50  11.592   1.136  -0.257
  394    HA   SER  50           HA       SER  50  11.914  -1.658  -1.271
  395   1HB   SER  50          2HB       SER  50  12.811  -0.509   1.419
  396   2HB   SER  50          1HB       SER  50  13.161  -2.121   0.771
  397    HG   SER  50           HG       SER  50  14.411   0.174   0.213
  398    H    CYS  51           H        CYS  51   9.385  -0.156  -0.734
  399    HA   CYS  51           HA       CYS  51   7.303  -0.578   0.277
  400   1HB   CYS  51          2HB       CYS  51   8.155  -2.851  -0.796
  401   2HB   CYS  51          1HB       CYS  51   8.286  -3.371   0.847
  402    H    ASP  52           H        ASP  52   6.646  -2.401   2.143
  403    HA   ASP  52           HA       ASP  52   7.543  -2.938   4.536
  404   1HB   ASP  52          2HB       ASP  52   8.241  -0.621   5.232
  405   2HB   ASP  52          1HB       ASP  52   6.686   0.023   4.731
  406    H    LEU  53           H        LEU  53   6.010  -3.878   5.372
  407    HA   LEU  53           HA       LEU  53   3.541  -4.480   4.342
  408   1HB   LEU  53          2HB       LEU  53   4.965  -5.377   6.332
  409   2HB   LEU  53          1HB       LEU  53   4.071  -4.267   7.324
  410    HG   LEU  53           HG       LEU  53   2.982  -6.229   7.610
  411   1HD1  LEU  53          1HD1      LEU  53   1.390  -4.500   6.998
  412   2HD1  LEU  53          3HD1      LEU  53   1.415  -5.019   5.328
  413   3HD1  LEU  53          2HD1      LEU  53   0.798  -6.095   6.586
  414   1HD2  LEU  53          3HD2      LEU  53   4.074  -7.544   5.706
  415   2HD2  LEU  53          2HD2      LEU  53   2.348  -7.816   5.721
  416   3HD2  LEU  53          1HD2      LEU  53   3.048  -6.673   4.590
  417    H    ALA  54           H        ALA  54   3.943  -2.317   6.997
  418    HA   ALA  54           HA       ALA  54   1.571  -1.126   7.564
  419   1HB   ALA  54          1HB       ALA  54   3.672  -0.232   8.559
  420   2HB   ALA  54          3HB       ALA  54   4.010   0.583   7.044
  421   3HB   ALA  54          2HB       ALA  54   2.615   1.036   7.993
  422    H    LEU  55           H        LEU  55   3.329  -0.070   4.587
  423    HA   LEU  55           HA       LEU  55   1.433   1.932   3.952
  424   1HB   LEU  55          2HB       LEU  55   3.816   0.471   2.881
  425   2HB   LEU  55          1HB       LEU  55   2.802   1.110   1.687
  426    HG   LEU  55           HG       LEU  55   4.003   2.667   4.068
  427   1HD1  LEU  55          1HD1      LEU  55   4.793   2.658   1.126
  428   2HD1  LEU  55          3HD1      LEU  55   5.527   3.657   2.365
  429   3HD1  LEU  55          2HD1      LEU  55   5.721   1.913   2.424
  430   1HD2  LEU  55          3HD2      LEU  55   1.899   3.763   3.158
  431   2HD2  LEU  55          2HD2      LEU  55   3.326   4.719   2.850
  432   3HD2  LEU  55          1HD2      LEU  55   2.638   3.768   1.565
  433    H    LEU  56           H        LEU  56   2.043  -1.261   2.715
  434    HA   LEU  56           HA       LEU  56  -0.162  -1.664   1.034
  435   1HB   LEU  56          2HB       LEU  56   1.221  -3.506   2.927
  436   2HB   LEU  56          1HB       LEU  56   0.147  -4.112   1.738
  437    HG   LEU  56           HG       LEU  56   1.562  -3.635  -0.103
  438   1HD1  LEU  56          3HD1      LEU  56   2.293  -1.287   0.525
  439   2HD1  LEU  56          2HD1      LEU  56   3.407  -1.976   1.698
  440   3HD1  LEU  56          1HD1      LEU  56   3.616  -2.296  -0.008
  441   1HD2  LEU  56          2HD2      LEU  56   2.373  -5.434   1.479
  442   2HD2  LEU  56          1HD2      LEU  56   3.719  -4.718   0.591
  443   3HD2  LEU  56          3HD2      LEU  56   3.417  -4.270   2.254
  444    H    GLU  57           H        GLU  57   0.038  -1.989   4.532
  445    HA   GLU  57           HA       GLU  57  -2.442  -3.152   4.985
  446   1HB   GLU  57          2HB       GLU  57  -1.252  -0.916   6.744
  447   2HB   GLU  57          1HB       GLU  57  -2.418  -2.113   7.246
  448   1HG   GLU  57          2HG       GLU  57  -0.729  -3.901   6.752
  449   2HG   GLU  57          1HG       GLU  57   0.426  -2.652   6.373
  450    H    THR  58           H        THR  58  -1.631   0.285   4.957
  451    HA   THR  58           HA       THR  58  -4.396   1.169   4.953
  452    HB   THR  58           HB       THR  58  -2.654   2.568   6.048
  453    HG1  THR  58           HG1      THR  58  -4.094   3.536   3.860
  454   1HG2  THR  58          1HG2      THR  58  -1.500   2.927   3.236
  455   2HG2  THR  58          3HG2      THR  58  -0.972   3.767   4.692
  456   3HG2  THR  58          2HG2      THR  58  -0.765   2.044   4.560
  457    OH   TYR  59           OH       TYR  59   0.744   4.643  -1.692
  458    H    TYR  59           H        TYR  59  -2.483  -0.054   2.425
  459    HA   TYR  59           HA       TYR  59  -3.621   1.764   0.389
  460   1HB   TYR  59          2HB       TYR  59  -1.801  -0.577   0.417
  461   2HB   TYR  59          1HB       TYR  59  -2.726  -0.324  -1.073
  462    HD1  TYR  59           HD2      TYR  59  -2.980   2.164  -1.796
  463    HD2  TYR  59           HD1      TYR  59   0.209   0.782   0.643
  464    HE1  TYR  59           HE2      TYR  59  -1.661   4.101  -2.431
  465    HE2  TYR  59           HE1      TYR  59   1.546   2.735  -0.013
  466    HH   TYR  59           HH       TYR  59   1.695   4.521  -1.541
  467    H    CYS  60           H        CYS  60  -4.710  -0.939   2.097
  468    HA   CYS  60           HA       CYS  60  -6.470  -2.094   0.260
  469   1HB   CYS  60          2HB       CYS  60  -5.847  -2.796   2.658
  470   2HB   CYS  60          1HB       CYS  60  -7.056  -1.671   3.202
  471    H    ALA  61           H        ALA  61  -8.675  -1.679  -0.247
  472    HA   ALA  61           HA       ALA  61  -9.347   1.044  -0.502
  473   1HB   ALA  61          2HB       ALA  61 -11.233  -1.339  -0.668
  474   2HB   ALA  61          1HB       ALA  61 -11.622   0.294  -1.174
  475   3HB   ALA  61          3HB       ALA  61 -10.343  -0.594  -1.974
  476    H    THR  62           H        THR  62  -9.696  -0.774   2.353
  477    HA   THR  62           HA       THR  62 -12.085   0.532   3.344
  478    HB   THR  62           HB       THR  62 -11.748  -1.345   4.549
  479    HG1  THR  62           HG1      THR  62 -10.101  -0.479   6.461
  480   1HG2  THR  62          1HG2      THR  62  -9.717  -2.250   3.563
  481   2HG2  THR  62          3HG2      THR  62  -8.700  -1.274   4.567
  482   3HG2  THR  62          2HG2      THR  62  -9.723  -2.464   5.294
  483    HA   PRO  63           HA       PRO  63  -9.782   3.979   5.167
  484   1HB   PRO  63          2HB       PRO  63  -7.232   4.096   5.568
  485   2HB   PRO  63          1HB       PRO  63  -8.230   2.937   6.500
  486   1HG   PRO  63          2HG       PRO  63  -6.636   2.282   3.954
  487   2HG   PRO  63          1HG       PRO  63  -6.428   1.543   5.556
  488   1HD   PRO  63          2HD       PRO  63  -8.165   0.484   3.731
  489   2HD   PRO  63          1HD       PRO  63  -8.529   0.490   5.485
  490    H    ALA  64           H        ALA  64 -10.567   3.634   2.816
  491    HA   ALA  64           HA       ALA  64  -9.183   5.597   1.263
  492   1HB   ALA  64          1HB       ALA  64  -8.028   3.451   0.529
  493   2HB   ALA  64          3HB       ALA  64  -9.637   2.832   0.171
  494   3HB   ALA  64          2HB       ALA  64  -8.989   4.128  -0.795
  495    H    LYS  65           H        LYS  65 -11.897   4.362   2.227
  496    HA   LYS  65           HA       LYS  65 -13.563   4.619  -0.046
  497   1HB   LYS  65          2HB       LYS  65 -13.863   3.300   2.127
  498   2HB   LYS  65          1HB       LYS  65 -14.142   4.847   2.929
  499   1HG   LYS  65          2HG       LYS  65 -15.938   5.364   1.470
  500   2HG   LYS  65          1HG       LYS  65 -15.677   3.884   0.547
  501   1HD   LYS  65          2HD       LYS  65 -16.245   3.928   3.516
  502   2HD   LYS  65          1HD       LYS  65 -17.555   3.870   2.341
  503   1HE   LYS  65          2HE       LYS  65 -16.383   1.726   1.405
  504   2HE   LYS  65          1HE       LYS  65 -15.357   1.780   2.832
  505   1HZ   LYS  65          1HZ       LYS  65 -18.038   2.036   3.655
  506   2HZ   LYS  65          3HZ       LYS  65 -17.935   0.702   2.609
  507   3HZ   LYS  65          2HZ       LYS  65 -16.950   0.772   3.990
  508    H    SER  66           H        SER  66 -14.199   6.456  -0.942
  509    HA   SER  66           HA       SER  66 -13.264   9.010  -0.150
  510   1HB   SER  66          2HB       SER  66 -15.093   9.559  -2.093
  511   2HB   SER  66          1HB       SER  66 -13.568   8.745  -2.485
  512    HG   SER  66           HG       SER  66 -16.097   7.750  -2.482
  513    H    GLU  67           HN       GLU  67 -14.686  10.982  -0.007
  514    HA   GLU  67           HA       GLU  67 -17.173  10.560   1.520
  515   1HB   GLU  67          2HB       GLU  67 -14.998  12.567   2.303
  516   2HB   GLU  67          1HB       GLU  67 -16.418  12.125   3.228
  517   1HG   GLU  67          2HG       GLU  67 -15.501   9.794   3.488
  518   2HG   GLU  67          1HG       GLU  67 -14.062  10.259   2.609
   
  Start of MODEL          16
 Raw file had  518 H/Q atoms
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1   8.117 -14.592  10.421
    2   2H    ALA   1          3H        ALA   1   9.307 -14.477  11.635
    3   3H    ALA   1          2H        ALA   1   8.529 -15.953  11.341
    4    HA   ALA   1           HA       ALA   1   6.943 -15.471  12.793
    5   1HB   ALA   1          3HB       ALA   1   8.692 -14.084  14.001
    6   2HB   ALA   1          2HB       ALA   1   8.243 -12.686  13.033
    7   3HB   ALA   1          1HB       ALA   1   7.094 -13.388  14.149
    8    OH   TYR   2           OH       TYR   2  -0.577 -10.668  10.843
    9    H    TYR   2           H        TYR   2   7.516 -12.600  10.714
   10    HA   TYR   2           HA       TYR   2   4.771 -12.742   9.713
   11   1HB   TYR   2          2HB       TYR   2   5.429 -10.966  11.867
   12   2HB   TYR   2          1HB       TYR   2   5.514  -9.960  10.439
   13    HD1  TYR   2           HD2      TYR   2   3.357 -12.387  12.238
   14    HD2  TYR   2           HD1      TYR   2   3.447  -9.199   9.395
   15    HE1  TYR   2           HE2      TYR   2   0.908 -12.300  12.247
   16    HE2  TYR   2           HE1      TYR   2   0.995  -9.137   9.421
   17    HH   TYR   2           HH       TYR   2  -0.859 -10.021  11.496
   18    NH1  ARG   3           NH2      ARG   3   3.491 -11.850   1.881
   19    NH2  ARG   3           NH1      ARG   3   5.095 -11.016   0.470
   20    H    ARG   3           H        ARG   3   4.737 -10.714   8.066
   21    HA   ARG   3           HA       ARG   3   6.907 -11.226   6.224
   22   1HB   ARG   3          2HB       ARG   3   4.550  -9.265   6.258
   23   2HB   ARG   3          1HB       ARG   3   5.711  -9.233   4.964
   24   1HG   ARG   3          2HG       ARG   3   4.272 -11.809   5.769
   25   2HG   ARG   3          1HG       ARG   3   3.572 -10.688   4.616
   26   1HD   ARG   3          2HD       ARG   3   6.426 -11.665   4.209
   27   2HD   ARG   3          1HD       ARG   3   5.093 -12.675   3.690
   28    HE   ARG   3           HE       ARG   3   5.686  -9.891   2.663
   29   1HH1  ARG   3          1HH2      ARG   3   3.175 -11.937   2.826
   30   2HH1  ARG   3          2HH2      ARG   3   2.940 -12.239   1.145
   31   1HH2  ARG   3          2HH1      ARG   3   5.964 -10.512   0.406
   32   2HH2  ARG   3          1HH1      ARG   3   4.666 -11.315  -0.380
   33    HA   PRO   4           HA       PRO   4   9.235  -7.705   7.730
   34   1HB   PRO   4          2HB       PRO   4  11.385  -7.732   6.076
   35   2HB   PRO   4          1HB       PRO   4  11.035  -9.158   7.047
   36   1HG   PRO   4          2HG       PRO   4  10.223  -8.662   4.152
   37   2HG   PRO   4          1HG       PRO   4  11.083 -10.056   4.797
   38   1HD   PRO   4          2HD       PRO   4   8.299 -10.003   4.496
   39   2HD   PRO   4          1HD       PRO   4   9.102 -11.015   5.724
   40    H    SER   5           H        SER   5  10.551  -6.307   5.401
   41    HA   SER   5           HA       SER   5   8.467  -4.374   4.859
   42   1HB   SER   5          2HB       SER   5  10.781  -3.420   3.758
   43   2HB   SER   5          1HB       SER   5  10.458  -3.350   5.499
   44    HG   SER   5           HG       SER   5  12.121  -4.651   5.681
   45    H    GLU   6           H        GLU   6  10.868  -5.945   2.862
   46    HA   GLU   6           HA       GLU   6  10.923  -6.846   0.757
   47   1HB   GLU   6          2HB       GLU   6   7.897  -6.566   0.756
   48   2HB   GLU   6          1HB       GLU   6   8.873  -7.561  -0.302
   49   1HG   GLU   6          2HG       GLU   6   9.190  -9.234   1.246
   50   2HG   GLU   6          1HG       GLU   6   9.197  -8.081   2.585
   51    H    THR   7           H        THR   7   9.986  -6.495  -1.522
   52    HA   THR   7           HA       THR   7   9.488  -3.672  -2.222
   53    HB   THR   7           HB       THR   7  11.344  -3.996  -4.034
   54    HG1  THR   7           HG1      THR   7  12.327  -5.889  -3.938
   55   1HG2  THR   7          3HG2      THR   7  12.267  -4.300  -1.110
   56   2HG2  THR   7          2HG2      THR   7  13.216  -3.647  -2.432
   57   3HG2  THR   7          1HG2      THR   7  11.816  -2.771  -1.845
   58    H    LEU   8           H        LEU   8  10.221  -6.836  -3.639
   59    HA   LEU   8           HA       LEU   8   9.063  -8.031  -5.324
   60   1HB   LEU   8          2HB       LEU   8   6.529  -6.606  -4.373
   61   2HB   LEU   8          1HB       LEU   8   6.652  -8.248  -4.945
   62    HG   LEU   8           HG       LEU   8   8.187  -8.216  -2.535
   63   1HD1  LEU   8          3HD1      LEU   8   5.541  -6.694  -2.111
   64   2HD1  LEU   8          2HD1      LEU   8   6.567  -7.269  -0.836
   65   3HD1  LEU   8          1HD1      LEU   8   7.109  -5.962  -1.862
   66   1HD2  LEU   8          3HD2      LEU   8   5.266  -8.919  -2.936
   67   2HD2  LEU   8          2HD2      LEU   8   6.623  -9.978  -3.303
   68   3HD2  LEU   8          1HD2      LEU   8   6.300  -9.506  -1.631
   69    H    CYS   9           H        CYS   9   6.718  -7.112  -6.762
   70    HA   CYS   9           HA       CYS   9   6.840  -4.409  -7.612
   71   1HB   CYS   9          2HB       CYS   9   9.120  -5.158  -8.565
   72   2HB   CYS   9          1HB       CYS   9   8.210  -6.144  -9.686
   73    H    GLY  10           H        GLY  10   5.676  -3.869  -9.366
   74   1HA   GLY  10          2HA       GLY  10   3.182  -4.446  -9.907
   75   2HA   GLY  10          1HA       GLY  10   4.235  -4.122 -11.267
   76    H    GLY  11           H        GLY  11   2.190  -6.361  -9.864
   77   1HA   GLY  11          2HA       GLY  11   1.334  -8.168 -11.386
   78   2HA   GLY  11          1HA       GLY  11   3.023  -8.489 -11.822
   79    H    GLU  12           H        GLU  12   4.088  -8.066  -9.378
   80    HA   GLU  12           HA       GLU  12   3.319 -10.496  -7.843
   81   1HB   GLU  12          2HB       GLU  12   5.566 -10.586  -8.738
   82   2HB   GLU  12          1HB       GLU  12   5.953  -9.004  -8.116
   83   1HG   GLU  12          2HG       GLU  12   5.541 -10.081  -5.719
   84   2HG   GLU  12          1HG       GLU  12   5.599 -11.610  -6.576
   85    H    LEU  13           H        LEU  13   4.625  -7.176  -7.124
   86    HA   LEU  13           HA       LEU  13   4.160  -7.440  -4.319
   87   1HB   LEU  13          2HB       LEU  13   4.509  -5.144  -4.056
   88   2HB   LEU  13          1HB       LEU  13   5.308  -5.393  -5.581
   89    HG   LEU  13           HG       LEU  13   2.453  -4.279  -5.379
   90   1HD1  LEU  13          2HD1      LEU  13   5.119  -2.890  -5.743
   91   2HD1  LEU  13          1HD1      LEU  13   3.534  -2.148  -5.847
   92   3HD1  LEU  13          3HD1      LEU  13   4.098  -2.789  -4.307
   93   1HD2  LEU  13          3HD2      LEU  13   3.171  -5.380  -7.564
   94   2HD2  LEU  13          2HD2      LEU  13   2.831  -3.652  -7.674
   95   3HD2  LEU  13          1HD2      LEU  13   4.487  -4.209  -7.539
   96    H    VAL  14           H        VAL  14   1.960  -6.879  -6.855
   97    HA   VAL  14           HA       VAL  14  -0.300  -5.782  -5.594
   98    HB   VAL  14           HB       VAL  14  -0.121  -6.277  -8.044
   99   1HG1  VAL  14          3HG1      VAL  14   1.059  -8.482  -7.814
  100   2HG1  VAL  14          2HG1      VAL  14  -0.423  -9.224  -7.259
  101   3HG1  VAL  14          1HG1      VAL  14  -0.311  -8.608  -8.890
  102   1HG2  VAL  14          2HG2      VAL  14  -2.493  -7.770  -6.838
  103   2HG2  VAL  14          1HG2      VAL  14  -2.433  -6.054  -7.216
  104   3HG2  VAL  14          3HG2      VAL  14  -2.366  -7.234  -8.502
  105    H    ASP  15           H        ASP  15   1.028  -9.003  -5.459
  106    HA   ASP  15           HA       ASP  15  -1.157 -10.225  -4.025
  107   1HB   ASP  15          2HB       ASP  15   0.755 -11.463  -5.297
  108   2HB   ASP  15          1HB       ASP  15   1.733 -11.137  -3.879
  109    H    THR  16           H        THR  16   1.672  -8.386  -3.068
  110    HA   THR  16           HA       THR  16   1.795  -9.087  -0.331
  111    HB   THR  16           HB       THR  16   3.463  -7.362  -1.392
  112    HG1  THR  16           HG1      THR  16   3.793  -6.848   0.634
  113   1HG2  THR  16          3HG2      THR  16   1.728  -5.464  -2.098
  114   2HG2  THR  16          2HG2      THR  16   1.438  -5.275  -0.388
  115   3HG2  THR  16          1HG2      THR  16   3.025  -4.981  -1.059
  116    H    LEU  17           H        LEU  17   0.055  -6.355  -1.749
  117    HA   LEU  17           HA       LEU  17  -1.564  -5.670   0.455
  118   1HB   LEU  17          2HB       LEU  17  -2.418  -5.826  -2.339
  119   2HB   LEU  17          1HB       LEU  17  -3.114  -4.757  -1.139
  120    HG   LEU  17           HG       LEU  17  -0.183  -4.468  -2.051
  121   1HD1  LEU  17          1HD1      LEU  17  -1.807  -3.983  -3.848
  122   2HD1  LEU  17          3HD1      LEU  17  -2.600  -2.843  -2.750
  123   3HD1  LEU  17          2HD1      LEU  17  -0.959  -2.541  -3.280
  124   1HD2  LEU  17          3HD2      LEU  17  -0.844  -3.447   0.149
  125   2HD2  LEU  17          2HD2      LEU  17  -0.416  -2.277  -1.084
  126   3HD2  LEU  17          1HD2      LEU  17  -2.098  -2.566  -0.705
  127    H    GLN  18           H        GLN  18  -2.062  -8.175  -2.047
  128    HA   GLN  18           HA       GLN  18  -4.656  -8.899  -1.252
  129   1HB   GLN  18          2HB       GLN  18  -3.059  -9.955  -3.134
  130   2HB   GLN  18          1HB       GLN  18  -2.502 -11.034  -1.870
  131   1HG   GLN  18          2HG       GLN  18  -4.186 -12.389  -2.612
  132   2HG   GLN  18          1HG       GLN  18  -5.210 -11.373  -1.613
  133   1HE2  GLN  18          2HE2      GLN  18  -5.407 -11.052  -5.667
  134   2HE2  GLN  18          1HE2      GLN  18  -4.129 -11.923  -4.945
  135    H    PHE  19           H        PHE  19  -1.610  -9.600   0.319
  136    HA   PHE  19           HA       PHE  19  -3.050 -11.182   2.393
  137   1HB   PHE  19          2HB       PHE  19  -0.980 -11.994   3.127
  138   2HB   PHE  19          1HB       PHE  19  -0.545 -11.648   1.470
  139    HD1  PHE  19           HD1      PHE  19  -0.560 -10.052   4.857
  140    HD2  PHE  19           HD2      PHE  19   1.376 -10.271   1.090
  141    HE1  PHE  19           HE1      PHE  19   1.161  -8.568   5.701
  142    HE2  PHE  19           HE2      PHE  19   3.125  -8.761   1.943
  143    HZ   PHE  19           HZ       PHE  19   3.068  -7.942   4.202
  144    H    VAL  20           H        VAL  20  -1.254  -7.909   2.206
  145    HA   VAL  20           HA       VAL  20  -1.878  -7.534   4.953
  146    HB   VAL  20           HB       VAL  20  -1.515  -5.084   3.351
  147   1HG1  VAL  20          1HG1      VAL  20  -1.040  -5.547   5.753
  148   2HG1  VAL  20          3HG1      VAL  20   0.374  -6.450   5.248
  149   3HG1  VAL  20          2HG1      VAL  20   0.226  -4.727   4.830
  150   1HG2  VAL  20          1HG2      VAL  20   0.610  -7.199   2.944
  151   2HG2  VAL  20          3HG2      VAL  20  -0.285  -6.365   1.719
  152   3HG2  VAL  20          2HG2      VAL  20   0.881  -5.512   2.669
  153    H    CYS  21           H        CYS  21  -3.138  -6.148   1.942
  154    HA   CYS  21           HA       CYS  21  -5.281  -4.719   3.086
  155   1HB   CYS  21          2HB       CYS  21  -4.624  -4.264   0.844
  156   2HB   CYS  21          1HB       CYS  21  -4.958  -5.858   0.371
  157    H    GLY  22           H        GLY  22  -5.376  -7.713   1.337
  158   1HA   GLY  22          2HA       GLY  22  -6.648  -9.686   1.846
  159   2HA   GLY  22          1HA       GLY  22  -7.567  -8.761   3.028
  160    H    ASP  23           H        ASP  23  -9.052 -10.145   1.887
  161    HA   ASP  23           HA       ASP  23 -10.189 -10.113  -0.557
  162   1HB   ASP  23          2HB       ASP  23 -11.525 -10.439   2.144
  163   2HB   ASP  23          1HB       ASP  23 -12.213 -10.951   0.625
  164    NH1  ARG  24           NH1      ARG  24 -11.893  -4.854   4.649
  165    NH2  ARG  24           NH2      ARG  24 -13.773  -4.752   3.328
  166    H    ARG  24           H        ARG  24  -9.892  -7.558  -0.864
  167    HA   ARG  24           HA       ARG  24 -12.612  -6.554  -1.182
  168   1HB   ARG  24          2HB       ARG  24 -11.694  -4.253  -0.056
  169   2HB   ARG  24          1HB       ARG  24 -12.602  -5.442   0.845
  170   1HG   ARG  24          2HG       ARG  24 -10.658  -6.332   1.889
  171   2HG   ARG  24          1HG       ARG  24  -9.581  -5.514   0.778
  172   1HD   ARG  24          2HD       ARG  24  -9.849  -4.425   3.070
  173   2HD   ARG  24          1HD       ARG  24 -10.030  -3.374   1.680
  174    HE   ARG  24           HE       ARG  24 -12.238  -2.965   2.309
  175   1HH1  ARG  24          2HH1      ARG  24 -10.922  -4.623   4.749
  176   2HH1  ARG  24          1HH1      ARG  24 -12.343  -5.368   5.379
  177   1HH2  ARG  24          1HH2      ARG  24 -14.185  -4.427   2.476
  178   2HH2  ARG  24          2HH2      ARG  24 -14.340  -5.282   3.962
  179    H    GLY  25           H        GLY  25  -9.188  -6.271  -1.373
  180   1HA   GLY  25          2HA       GLY  25  -8.150  -5.836  -3.550
  181   2HA   GLY  25          1HA       GLY  25  -9.560  -4.851  -3.942
  182    H    PHE  26           H        PHE  26  -7.132  -3.624  -4.295
  183    HA   PHE  26           HA       PHE  26  -7.001  -1.654  -2.055
  184   1HB   PHE  26          2HB       PHE  26  -4.369  -1.947  -2.644
  185   2HB   PHE  26          1HB       PHE  26  -5.151  -2.727  -1.285
  186    HD1  PHE  26           HD2      PHE  26  -3.916  -3.297  -4.729
  187    HD2  PHE  26           HD1      PHE  26  -5.794  -5.024  -1.356
  188    HE1  PHE  26           HE2      PHE  26  -3.528  -5.496  -5.629
  189    HE2  PHE  26           HE1      PHE  26  -5.428  -7.220  -2.206
  190    HZ   PHE  26           HZ       PHE  26  -4.269  -7.536  -4.396
  191    OH   TYR  27           OH       TYR  27 -12.168  -0.553  -4.373
  192    H    TYR  27           H        TYR  27  -5.948   0.329  -2.700
  193    HA   TYR  27           HA       TYR  27  -5.606   0.569  -5.621
  194   1HB   TYR  27          2HB       TYR  27  -7.037   2.789  -4.120
  195   2HB   TYR  27          1HB       TYR  27  -7.062   2.495  -5.832
  196    HD1  TYR  27           HD1      TYR  27  -8.072  -0.156  -6.279
  197    HD2  TYR  27           HD2      TYR  27  -9.152   2.548  -3.162
  198    HE1  TYR  27           HE1      TYR  27 -10.249  -1.242  -6.081
  199    HE2  TYR  27           HE2      TYR  27 -11.323   1.451  -2.974
  200    HH   TYR  27           HH       TYR  27 -12.131  -1.434  -4.756
  201    H    PHE  28           H        PHE  28  -3.732   1.565  -6.059
  202    HA   PHE  28           HA       PHE  28  -1.895   2.637  -4.264
  203   1HB   PHE  28          2HB       PHE  28  -0.728   3.603  -6.230
  204   2HB   PHE  28          1HB       PHE  28  -1.290   1.974  -6.570
  205    HD1  PHE  28           HD2      PHE  28  -2.245   5.579  -7.068
  206    HD2  PHE  28           HD1      PHE  28  -2.656   1.556  -8.438
  207    HE1  PHE  28           HE2      PHE  28  -3.452   6.368  -9.049
  208    HE2  PHE  28           HE1      PHE  28  -3.863   2.349 -10.411
  209    HZ   PHE  28           HZ       PHE  28  -4.265   4.761 -10.731
  210    H    SER  29           H        SER  29  -4.599   4.245  -5.613
  211    HA   SER  29           HA       SER  29  -3.700   6.948  -5.236
  212   1HB   SER  29          2HB       SER  29  -6.329   7.281  -5.516
  213   2HB   SER  29          1HB       SER  29  -5.424   6.603  -6.883
  214    HG   SER  29           HG       SER  29  -6.648   4.912  -6.572
  215    NH1  ARG  30           NH1      ARG  30  -2.662   5.934   4.227
  216    NH2  ARG  30           NH2      ARG  30  -1.827   7.967   3.566
  217    H    ARG  30           H        ARG  30  -3.876   4.944  -2.975
  218    HA   ARG  30           HA       ARG  30  -5.714   5.796  -1.027
  219   1HB   ARG  30          2HB       ARG  30  -4.588   3.760  -0.731
  220   2HB   ARG  30          1HB       ARG  30  -3.014   4.447  -0.993
  221   1HG   ARG  30          2HG       ARG  30  -4.664   4.999   1.493
  222   2HG   ARG  30          1HG       ARG  30  -3.517   3.687   1.345
  223   1HD   ARG  30          2HD       ARG  30  -1.799   5.024   1.883
  224   2HD   ARG  30          1HD       ARG  30  -2.078   6.020   0.471
  225    HE   ARG  30           HE       ARG  30  -3.807   7.261   1.878
  226   1HH1  ARG  30          2HH1      ARG  30  -3.198   5.118   3.972
  227   2HH1  ARG  30          1HH1      ARG  30  -2.281   5.960   5.144
  228   1HH2  ARG  30          1HH2      ARG  30  -1.778   8.651   2.837
  229   2HH2  ARG  30          2HH2      ARG  30  -1.355   8.148   4.425
  230    HA   PRO  31           HA       PRO  31  -2.960   9.478   0.165
  231   1HB   PRO  31          2HB       PRO  31  -1.407  10.050  -2.221
  232   2HB   PRO  31          1HB       PRO  31  -0.910  10.008  -0.534
  233   1HG   PRO  31          2HG       PRO  31  -0.105   8.053  -2.312
  234   2HG   PRO  31          1HG       PRO  31  -0.435   7.626  -0.636
  235   1HD   PRO  31          2HD       PRO  31  -2.299   7.404  -3.045
  236   2HD   PRO  31          1HD       PRO  31  -1.958   6.184  -1.804
  237    H    ALA  32           H        ALA  32  -5.039   8.832  -1.917
  238    HA   ALA  32           HA       ALA  32  -5.362  11.147  -3.617
  239   1HB   ALA  32          2HB       ALA  32  -7.564   9.308  -2.598
  240   2HB   ALA  32          1HB       ALA  32  -7.764  10.497  -3.879
  241   3HB   ALA  32          3HB       ALA  32  -6.690   9.137  -4.117
  242    H    SER  33           H        SER  33  -7.110  12.665  -3.541
  243    HA   SER  33           HA       SER  33  -7.757  13.630  -0.772
  244   1HB   SER  33          2HB       SER  33  -7.513  15.631  -3.060
  245   2HB   SER  33          1HB       SER  33  -7.154  15.854  -1.351
  246    HG   SER  33           HG       SER  33  -5.564  13.915  -2.290
  247    NH1  ARG  34           NH2      ARG  34 -11.618  14.837   3.827
  248    NH2  ARG  34           NH1      ARG  34  -9.528  14.056   3.260
  249    H    ARG  34           H        ARG  34  -9.561  15.582  -1.563
  250    HA   ARG  34           HA       ARG  34 -11.613  13.910  -2.946
  251   1HB   ARG  34          2HB       ARG  34 -12.066  16.361  -1.152
  252   2HB   ARG  34          1HB       ARG  34 -13.319  15.385  -1.864
  253   1HG   ARG  34          2HG       ARG  34 -13.234  14.580   0.345
  254   2HG   ARG  34          1HG       ARG  34 -12.346  13.376  -0.569
  255   1HD   ARG  34          2HD       ARG  34 -10.194  14.310   0.181
  256   2HD   ARG  34          1HD       ARG  34 -11.013  15.674   0.945
  257    HE   ARG  34           HE       ARG  34 -11.737  12.931   1.870
  258   1HH1  ARG  34          1HH2      ARG  34 -12.577  14.933   3.557
  259   2HH1  ARG  34          2HH2      ARG  34 -11.332  15.209   4.710
  260   1HH2  ARG  34          2HH1      ARG  34  -8.972  13.576   2.579
  261   2HH2  ARG  34          1HH1      ARG  34  -9.093  14.378   4.100
  262    H    VAL  35           H        VAL  35  -9.529  15.975  -3.869
  263    HA   VAL  35           HA       VAL  35 -11.178  17.796  -5.412
  264    HB   VAL  35           HB       VAL  35  -8.181  17.348  -4.950
  265   1HG1  VAL  35          1HG1      VAL  35  -9.610  19.654  -6.184
  266   2HG1  VAL  35          3HG1      VAL  35  -7.887  19.578  -5.761
  267   3HG1  VAL  35          2HG1      VAL  35  -8.538  18.502  -6.998
  268   1HG2  VAL  35          3HG2      VAL  35 -10.115  19.412  -3.750
  269   2HG2  VAL  35          2HG2      VAL  35  -9.453  18.046  -2.873
  270   3HG2  VAL  35          1HG2      VAL  35  -8.392  19.323  -3.425
  271    H    SER  36           H        SER  36 -11.082  14.816  -5.749
  272    HA   SER  36           HA       SER  36 -10.976  13.205  -7.409
  273   1HB   SER  36          2HB       SER  36 -11.730  15.699  -8.945
  274   2HB   SER  36          1HB       SER  36 -11.768  14.027  -9.541
  275    HG   SER  36           HG       SER  36 -13.664  13.996  -8.434
  276    NH1  ARG  37           NH1      ARG  37  -1.642  18.060  -6.376
  277    NH2  ARG  37           NH2      ARG  37  -2.054  19.528  -8.102
  278    H    ARG  37           H        ARG  37  -8.636  14.726  -6.960
  279    HA   ARG  37           HA       ARG  37  -7.011  14.698  -9.419
  280   1HB   ARG  37          2HB       ARG  37  -6.804  16.372  -7.435
  281   2HB   ARG  37          1HB       ARG  37  -6.077  15.070  -6.514
  282   1HG   ARG  37          2HG       ARG  37  -4.086  15.059  -7.829
  283   2HG   ARG  37          1HG       ARG  37  -4.858  15.899  -9.180
  284   1HD   ARG  37          2HD       ARG  37  -4.993  17.961  -7.727
  285   2HD   ARG  37          1HD       ARG  37  -4.241  17.069  -6.414
  286    HE   ARG  37           HE       ARG  37  -2.623  17.008  -8.863
  287   1HH1  ARG  37          2HH1      ARG  37  -1.819  17.147  -6.002
  288   2HH1  ARG  37          1HH1      ARG  37  -1.049  18.694  -5.877
  289   1HH2  ARG  37          1HH2      ARG  37  -2.540  19.681  -8.964
  290   2HH2  ARG  37          2HH2      ARG  37  -1.477  20.261  -7.739
  291    NH1  ARG  38           NH2      ARG  38  -3.367  10.448 -12.914
  292    NH2  ARG  38           NH1      ARG  38  -2.053  12.139 -12.100
  293    H    ARG  38           H        ARG  38  -4.587  13.476  -8.499
  294    HA   ARG  38           HA       ARG  38  -5.401  10.743  -7.692
  295   1HB   ARG  38          2HB       ARG  38  -3.304  11.060  -9.862
  296   2HB   ARG  38          1HB       ARG  38  -4.269   9.671  -9.489
  297   1HG   ARG  38          2HG       ARG  38  -5.400  10.293 -11.429
  298   2HG   ARG  38          1HG       ARG  38  -6.354  11.065 -10.201
  299   1HD   ARG  38          2HD       ARG  38  -6.136  12.865 -11.680
  300   2HD   ARG  38          1HD       ARG  38  -4.777  13.186 -10.621
  301    HE   ARG  38           HE       ARG  38  -4.411  12.995 -13.298
  302   1HH1  ARG  38          1HH2      ARG  38  -4.285  10.183 -13.217
  303   2HH1  ARG  38          2HH2      ARG  38  -2.633   9.769 -12.938
  304   1HH2  ARG  38          2HH1      ARG  38  -2.011  13.090 -11.795
  305   2HH2  ARG  38          1HH1      ARG  38  -1.222  11.576 -12.090
  306    H    SER  39           H        SER  39  -3.402   9.493  -7.246
  307    HA   SER  39           HA       SER  39  -0.991  10.941  -6.476
  308   1HB   SER  39          2HB       SER  39  -2.228   9.325  -4.221
  309   2HB   SER  39          1HB       SER  39  -1.188  10.749  -4.135
  310    HG   SER  39           HG       SER  39  -3.112  11.613  -3.615
  311    NH1  ARG  40           NH1      ARG  40   5.032   4.965 -11.310
  312    NH2  ARG  40           NH2      ARG  40   3.889   6.238 -12.830
  313    H    ARG  40           H        ARG  40   0.709   9.349  -6.585
  314    HA   ARG  40           HA       ARG  40  -0.186   6.681  -7.359
  315   1HB   ARG  40          2HB       ARG  40   2.056   8.433  -7.925
  316   2HB   ARG  40          1HB       ARG  40   2.718   7.098  -7.042
  317   1HG   ARG  40          2HG       ARG  40   1.220   5.663  -8.730
  318   2HG   ARG  40          1HG       ARG  40   1.120   7.186  -9.613
  319   1HD   ARG  40          2HD       ARG  40   3.665   7.269  -9.633
  320   2HD   ARG  40          1HD       ARG  40   3.646   5.691  -8.870
  321    HE   ARG  40           HE       ARG  40   2.096   5.298 -11.148
  322   1HH1  ARG  40          2HH1      ARG  40   5.048   4.543 -10.407
  323   2HH1  ARG  40          1HH1      ARG  40   5.849   4.863 -11.874
  324   1HH2  ARG  40          1HH2      ARG  40   3.054   6.738 -13.055
  325   2HH2  ARG  40          2HH2      ARG  40   4.642   6.224 -13.490
  326    H    GLY  41           H        GLY  41   1.925   5.241  -6.144
  327   1HA   GLY  41          2HA       GLY  41   2.391   5.747  -3.425
  328   2HA   GLY  41          1HA       GLY  41   0.810   4.952  -3.538
  329    H    ILE  42           H        ILE  42   0.691   2.855  -4.533
  330    HA   ILE  42           HA       ILE  42   2.570   1.017  -3.758
  331    HB   ILE  42           HB       ILE  42   0.383   1.161  -5.857
  332   1HG1  ILE  42          2HG1      ILE  42  -0.282   1.378  -3.453
  333   2HG1  ILE  42          1HG1      ILE  42  -0.991  -0.043  -4.186
  334   1HG2  ILE  42          3HG2      ILE  42   1.805  -1.305  -5.009
  335   2HG2  ILE  42          2HG2      ILE  42   0.311  -1.234  -5.958
  336   3HG2  ILE  42          1HG2      ILE  42   1.786  -0.530  -6.605
  337   1HD1  ILE  42          1HD1      ILE  42   0.898  -1.413  -3.169
  338   2HD1  ILE  42          3HD1      ILE  42   1.501   0.061  -2.419
  339   3HD1  ILE  42          2HD1      ILE  42  -0.073  -0.537  -1.996
  340    H    VAL  43           H        VAL  43   3.652  -0.368  -5.324
  341    HA   VAL  43           HA       VAL  43   5.417  -0.874  -6.629
  342    HB   VAL  43           HB       VAL  43   5.423   0.202  -8.947
  343   1HG1  VAL  43          1HG1      VAL  43   3.025  -1.420  -8.026
  344   2HG1  VAL  43          3HG1      VAL  43   3.519  -1.260  -9.701
  345   3HG1  VAL  43          2HG1      VAL  43   4.584  -2.033  -8.547
  346   1HG2  VAL  43          2HG2      VAL  43   3.993   2.180  -8.605
  347   2HG2  VAL  43          1HG2      VAL  43   3.311   1.124  -9.819
  348   3HG2  VAL  43          3HG2      VAL  43   2.625   1.142  -8.211
  349    H    GLU  44           H        GLU  44   5.000   2.731  -7.030
  350    HA   GLU  44           HA       GLU  44   7.783   3.091  -7.257
  351   1HB   GLU  44          2HB       GLU  44   5.506   4.866  -6.435
  352   2HB   GLU  44          1HB       GLU  44   7.135   5.455  -6.165
  353   1HG   GLU  44          2HG       GLU  44   7.741   5.096  -8.491
  354   2HG   GLU  44          1HG       GLU  44   6.261   4.225  -8.810
  355    H    GLU  45           H        GLU  45   5.681   2.958  -4.376
  356    HA   GLU  45           HA       GLU  45   7.888   3.455  -2.575
  357   1HB   GLU  45          2HB       GLU  45   6.248   2.860  -0.819
  358   2HB   GLU  45          1HB       GLU  45   5.437   3.795  -2.059
  359   1HG   GLU  45          2HG       GLU  45   4.874   1.557  -3.154
  360   2HG   GLU  45          1HG       GLU  45   5.516   0.794  -1.701
  361    H    CYS  46           H        CYS  46   6.280   0.496  -3.618
  362    HA   CYS  46           HA       CYS  46   8.168  -1.188  -2.082
  363   1HB   CYS  46          2HB       CYS  46   5.519  -1.566  -2.663
  364   2HB   CYS  46          1HB       CYS  46   6.251  -2.422  -3.981
  365    H    CYS  47           H        CYS  47   7.208  -1.034  -5.470
  366    HA   CYS  47           HA       CYS  47   9.286  -2.798  -6.394
  367   1HB   CYS  47          2HB       CYS  47   7.227  -2.161  -7.826
  368   2HB   CYS  47          1HB       CYS  47   7.982  -0.611  -8.096
  369    H    PHE  48           H        PHE  48   9.087   0.929  -6.236
  370    HA   PHE  48           HA       PHE  48  11.872   0.963  -7.046
  371   1HB   PHE  48          2HB       PHE  48   9.532   2.693  -6.790
  372   2HB   PHE  48          1HB       PHE  48  11.005   3.473  -6.692
  373    HD1  PHE  48           HD2      PHE  48  10.212   0.499  -8.863
  374    HD2  PHE  48           HD1      PHE  48  10.701   4.740  -8.781
  375    HE1  PHE  48           HE2      PHE  48  10.062   0.563 -11.286
  376    HE2  PHE  48           HE1      PHE  48  10.548   4.794 -11.221
  377    HZ   PHE  48           HZ       PHE  48  10.231   2.707 -12.490
  378    NH1  ARG  49           NH2      ARG  49  13.061   6.912  -1.586
  379    NH2  ARG  49           NH1      ARG  49  11.548   8.209  -0.446
  380    H    ARG  49           H        ARG  49   9.878   1.914  -4.033
  381    HA   ARG  49           HA       ARG  49  12.555   2.479  -2.801
  382   1HB   ARG  49          2HB       ARG  49   9.779   3.041  -1.698
  383   2HB   ARG  49          1HB       ARG  49  11.320   3.496  -1.000
  384   1HG   ARG  49          2HG       ARG  49  11.820   4.757  -3.175
  385   2HG   ARG  49          1HG       ARG  49  10.214   4.350  -3.725
  386   1HD   ARG  49          2HD       ARG  49  10.120   6.609  -2.769
  387   2HD   ARG  49          1HD       ARG  49   9.225   5.497  -1.732
  388    HE   ARG  49           HE       ARG  49  11.073   5.503  -0.157
  389   1HH1  ARG  49          1HH2      ARG  49  13.237   6.011  -1.987
  390   2HH1  ARG  49          2HH2      ARG  49  13.760   7.625  -1.656
  391   1HH2  ARG  49          2HH1      ARG  49  10.637   8.266  -0.035
  392   2HH2  ARG  49          1HH1      ARG  49  12.139   9.014  -0.421
  393    H    SER  50           H        SER  50  10.293   1.495  -0.777
  394    HA   SER  50           HA       SER  50  11.055  -1.306  -0.370
  395   1HB   SER  50          2HB       SER  50  11.711   0.737   1.796
  396   2HB   SER  50          1HB       SER  50  11.960  -1.007   1.894
  397    HG   SER  50           HG       SER  50  13.182  -0.261  -0.325
  398    H    CYS  51           H        CYS  51   9.217  -2.353   0.408
  399    HA   CYS  51           HA       CYS  51   6.924  -0.787   1.275
  400   1HB   CYS  51          2HB       CYS  51   7.558  -3.633   0.697
  401   2HB   CYS  51          1HB       CYS  51   6.331  -3.428   1.894
  402    H    ASP  52           H        ASP  52   6.014  -0.836   3.393
  403    HA   ASP  52           HA       ASP  52   7.801  -1.792   5.616
  404   1HB   ASP  52          2HB       ASP  52   7.797   0.694   5.199
  405   2HB   ASP  52          1HB       ASP  52   6.084   0.675   5.658
  406    H    LEU  53           H        LEU  53   5.458  -2.816   4.294
  407    HA   LEU  53           HA       LEU  53   3.564  -4.161   4.850
  408   1HB   LEU  53          2HB       LEU  53   5.156  -4.596   6.914
  409   2HB   LEU  53          1HB       LEU  53   4.099  -3.535   7.798
  410    HG   LEU  53           HG       LEU  53   3.340  -5.704   8.250
  411   1HD1  LEU  53          3HD1      LEU  53   1.554  -4.635   6.097
  412   2HD1  LEU  53          2HD1      LEU  53   1.048  -5.863   7.226
  413   3HD1  LEU  53          1HD1      LEU  53   1.394  -4.241   7.790
  414   1HD2  LEU  53          1HD2      LEU  53   4.445  -6.912   6.308
  415   2HD2  LEU  53          3HD2      LEU  53   2.754  -7.359   6.453
  416   3HD2  LEU  53          2HD2      LEU  53   3.251  -6.209   5.232
  417    H    ALA  54           H        ALA  54   3.507  -1.748   7.436
  418    HA   ALA  54           HA       ALA  54   0.833  -1.132   7.588
  419   1HB   ALA  54          2HB       ALA  54   3.121   0.863   7.760
  420   2HB   ALA  54          1HB       ALA  54   1.492   1.141   8.360
  421   3HB   ALA  54          3HB       ALA  54   2.483  -0.124   9.067
  422    H    LEU  55           H        LEU  55   3.012   0.276   5.151
  423    HA   LEU  55           HA       LEU  55   1.401   2.191   4.004
  424   1HB   LEU  55          2HB       LEU  55   3.767   0.526   3.468
  425   2HB   LEU  55          1HB       LEU  55   2.920   0.804   2.032
  426    HG   LEU  55           HG       LEU  55   4.017   2.883   4.010
  427   1HD1  LEU  55          3HD1      LEU  55   4.955   2.054   1.207
  428   2HD1  LEU  55          2HD1      LEU  55   5.697   3.310   2.192
  429   3HD1  LEU  55          1HD1      LEU  55   5.776   1.634   2.703
  430   1HD2  LEU  55          1HD2      LEU  55   2.044   3.785   2.667
  431   2HD2  LEU  55          3HD2      LEU  55   3.541   4.583   2.235
  432   3HD2  LEU  55          2HD2      LEU  55   2.885   3.335   1.196
  433    H    LEU  56           H        LEU  56   1.835  -1.102   3.262
  434    HA   LEU  56           HA       LEU  56  -0.150  -1.460   1.233
  435   1HB   LEU  56          2HB       LEU  56   1.051  -3.429   3.112
  436   2HB   LEU  56          1HB       LEU  56   0.333  -3.852   1.594
  437    HG   LEU  56           HG       LEU  56   2.537  -3.902   0.964
  438   1HD1  LEU  56          1HD1      LEU  56   1.857  -1.009   0.423
  439   2HD1  LEU  56          3HD1      LEU  56   3.156  -1.870  -0.340
  440   3HD1  LEU  56          2HD1      LEU  56   1.511  -2.397  -0.602
  441   1HD2  LEU  56          2HD2      LEU  56   3.346  -1.548   2.748
  442   2HD2  LEU  56          1HD2      LEU  56   3.637  -3.258   3.009
  443   3HD2  LEU  56          3HD2      LEU  56   4.373  -2.429   1.672
  444    H    GLU  57           H        GLU  57  -0.195  -1.985   4.761
  445    HA   GLU  57           HA       GLU  57  -2.635  -3.289   4.877
  446   1HB   GLU  57          2HB       GLU  57  -1.736  -1.075   6.835
  447   2HB   GLU  57          1HB       GLU  57  -2.966  -2.278   7.161
  448   1HG   GLU  57          2HG       GLU  57  -1.234  -4.033   6.753
  449   2HG   GLU  57          1HG       GLU  57  -0.006  -2.803   6.725
  450    H    THR  58           H        THR  58  -1.950   0.196   4.852
  451    HA   THR  58           HA       THR  58  -4.741   1.019   4.691
  452    HB   THR  58           HB       THR  58  -3.137   2.522   5.851
  453    HG1  THR  58           HG1      THR  58  -4.588   3.283   3.676
  454   1HG2  THR  58          2HG2      THR  58  -1.753   2.847   3.145
  455   2HG2  THR  58          1HG2      THR  58  -1.336   3.709   4.632
  456   3HG2  THR  58          3HG2      THR  58  -1.111   1.994   4.523
  457    OH   TYR  59           OH       TYR  59   0.929   4.362  -1.490
  458    H    TYR  59           H        TYR  59  -2.720  -0.158   2.229
  459    HA   TYR  59           HA       TYR  59  -3.807   1.626   0.112
  460   1HB   TYR  59          2HB       TYR  59  -2.025  -0.765   0.178
  461   2HB   TYR  59          1HB       TYR  59  -2.877  -0.438  -1.342
  462    HD1  TYR  59           HD2      TYR  59  -2.912   2.128  -2.017
  463    HD2  TYR  59           HD1      TYR  59   0.019   0.411   0.528
  464    HE1  TYR  59           HE2      TYR  59  -1.378   3.998  -2.462
  465    HE2  TYR  59           HE1      TYR  59   1.512   2.252   0.089
  466    HH   TYR  59           HH       TYR  59   1.850   4.066  -1.507
  467    H    CYS  60           H        CYS  60  -4.789  -1.016   1.857
  468    HA   CYS  60           HA       CYS  60  -6.527  -2.396   0.194
  469   1HB   CYS  60          2HB       CYS  60  -5.718  -2.725   2.629
  470   2HB   CYS  60          1HB       CYS  60  -7.093  -1.771   3.086
  471    H    ALA  61           H        ALA  61  -8.481  -2.143  -0.471
  472    HA   ALA  61           HA       ALA  61  -9.688   0.384  -0.924
  473   1HB   ALA  61          2HB       ALA  61 -10.801  -2.433  -1.261
  474   2HB   ALA  61          1HB       ALA  61 -11.525  -0.990  -1.939
  475   3HB   ALA  61          3HB       ALA  61  -9.941  -1.519  -2.480
  476    H    THR  62           H        THR  62  -9.551  -0.269   2.006
  477    HA   THR  62           HA       THR  62 -12.340  -0.560   2.772
  478    HB   THR  62           HB       THR  62 -10.907  -1.539   4.385
  479    HG1  THR  62           HG1      THR  62 -12.081   0.684   5.179
  480   1HG2  THR  62          3HG2      THR  62  -8.725  -0.676   3.567
  481   2HG2  THR  62          2HG2      THR  62  -9.054   0.869   4.333
  482   3HG2  THR  62          1HG2      THR  62  -8.857  -0.572   5.305
  483    HA   PRO  63           HA       PRO  63 -12.975   3.785   2.931
  484   1HB   PRO  63          2HB       PRO  63 -11.453   5.592   1.937
  485   2HB   PRO  63          1HB       PRO  63 -10.981   4.835   3.489
  486   1HG   PRO  63          2HG       PRO  63  -9.912   4.173   0.690
  487   2HG   PRO  63          1HG       PRO  63  -8.947   4.558   2.123
  488   1HD   PRO  63          2HD       PRO  63  -9.664   1.939   1.410
  489   2HD   PRO  63          1HD       PRO  63  -9.319   2.417   3.088
  490    H    ALA  64           H        ALA  64 -13.832   2.000   1.474
  491    HA   ALA  64           HA       ALA  64 -13.426   1.709  -1.245
  492   1HB   ALA  64          3HB       ALA  64 -15.054   0.385   0.012
  493   2HB   ALA  64          2HB       ALA  64 -16.119   1.781   0.157
  494   3HB   ALA  64          1HB       ALA  64 -15.804   1.071  -1.410
  495    H    LYS  65           H        LYS  65 -14.197   2.636  -3.177
  496    HA   LYS  65           HA       LYS  65 -14.500   5.462  -3.064
  497   1HB   LYS  65          2HB       LYS  65 -13.677   3.424  -4.915
  498   2HB   LYS  65          1HB       LYS  65 -14.984   4.245  -5.677
  499   1HG   LYS  65          2HG       LYS  65 -12.347   5.372  -4.590
  500   2HG   LYS  65          1HG       LYS  65 -12.851   5.328  -6.261
  501   1HD   LYS  65          2HD       LYS  65 -13.721   7.397  -6.084
  502   2HD   LYS  65          1HD       LYS  65 -14.907   6.788  -4.950
  503   1HE   LYS  65          2HE       LYS  65 -13.399   7.203  -3.034
  504   2HE   LYS  65          1HE       LYS  65 -12.097   7.650  -4.116
  505   1HZ   LYS  65          1HZ       LYS  65 -14.311   9.279  -4.713
  506   2HZ   LYS  65          3HZ       LYS  65 -14.117   9.293  -3.040
  507   3HZ   LYS  65          2HZ       LYS  65 -12.820   9.757  -4.040
  508    H    SER  66           H        SER  66 -16.401   5.558  -1.845
  509    HA   SER  66           HA       SER  66 -18.594   5.996  -1.496
  510   1HB   SER  66          2HB       SER  66 -18.525   6.195  -4.524
  511   2HB   SER  66          1HB       SER  66 -19.803   6.866  -3.482
  512    HG   SER  66           HG       SER  66 -18.457   8.518  -3.348
  513    H    GLU  67           HN       GLU  67 -17.723   3.253  -2.427
  514    HA   GLU  67           HA       GLU  67 -20.366   1.928  -2.300
  515   1HB   GLU  67          2HB       GLU  67 -18.168   1.400  -4.386
  516   2HB   GLU  67          1HB       GLU  67 -19.502   0.309  -4.091
  517   1HG   GLU  67          2HG       GLU  67 -20.190   3.179  -4.766
  518   2HG   GLU  67          1HG       GLU  67 -19.669   2.133  -6.065
   
  Start of MODEL          17
 Raw file had  518 H/Q atoms
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1   7.545 -14.985  11.015
    2   2H    ALA   1          3H        ALA   1   7.068 -15.506  12.561
    3   3H    ALA   1          2H        ALA   1   7.224 -16.625  11.292
    4    HA   ALA   1           HA       ALA   1   5.129 -16.322  10.675
    5   1HB   ALA   1          1HB       ALA   1   5.054 -14.148  12.886
    6   2HB   ALA   1          3HB       ALA   1   3.652 -14.839  12.092
    7   3HB   ALA   1          2HB       ALA   1   4.663 -15.839  13.109
    8    OH   TYR   2           OH       TYR   2  -0.296 -10.128  11.448
    9    H    TYR   2           H        TYR   2   5.374 -12.883  11.508
   10    HA   TYR   2           HA       TYR   2   4.746 -12.111   8.828
   11   1HB   TYR   2          2HB       TYR   2   5.807 -10.568  11.246
   12   2HB   TYR   2          1HB       TYR   2   5.520  -9.764   9.719
   13    HD1  TYR   2           HD2      TYR   2   3.850 -11.574  12.512
   14    HD2  TYR   2           HD1      TYR   2   3.316  -9.403   8.874
   15    HE1  TYR   2           HE2      TYR   2   1.447 -11.363  12.973
   16    HE2  TYR   2           HE1      TYR   2   0.934  -9.200   9.346
   17    HH   TYR   2           HH       TYR   2  -0.475  -9.187  11.517
   18    NH1  ARG   3           NH1      ARG   3   6.737 -14.973   2.318
   19    NH2  ARG   3           NH2      ARG   3   5.214 -15.944   3.741
   20    H    ARG   3           H        ARG   3   6.149 -10.457   7.740
   21    HA   ARG   3           HA       ARG   3   9.026 -11.140   7.688
   22   1HB   ARG   3          2HB       ARG   3   7.245 -10.778   5.237
   23   2HB   ARG   3          1HB       ARG   3   8.941 -11.223   5.228
   24   1HG   ARG   3          2HG       ARG   3   8.387 -13.364   6.387
   25   2HG   ARG   3          1HG       ARG   3   6.685 -12.918   6.399
   26   1HD   ARG   3          2HD       ARG   3   6.736 -12.725   3.905
   27   2HD   ARG   3          1HD       ARG   3   8.403 -13.308   3.933
   28    HE   ARG   3           HE       ARG   3   7.161 -15.294   5.308
   29   1HH1  ARG   3          2HH1      ARG   3   7.568 -14.426   2.221
   30   2HH1  ARG   3          1HH1      ARG   3   6.285 -15.289   1.482
   31   1HH2  ARG   3          1HH2      ARG   3   4.916 -16.110   4.682
   32   2HH2  ARG   3          2HH2      ARG   3   4.673 -16.328   2.991
   33    HA   PRO   4           HA       PRO   4   8.627  -6.682   7.415
   34   1HB   PRO   4          2HB       PRO   4  11.192  -5.931   7.600
   35   2HB   PRO   4          1HB       PRO   4  10.494  -6.930   8.871
   36   1HG   PRO   4          2HG       PRO   4  12.047  -7.927   6.403
   37   2HG   PRO   4          1HG       PRO   4  12.449  -8.219   8.103
   38   1HD   PRO   4          2HD       PRO   4  10.893 -10.004   6.663
   39   2HD   PRO   4          1HD       PRO   4  10.645  -9.698   8.405
   40    H    SER   5           H        SER   5  10.212  -5.116   6.312
   41    HA   SER   5           HA       SER   5   9.361  -4.279   3.890
   42   1HB   SER   5          2HB       SER   5  10.700  -2.777   5.104
   43   2HB   SER   5          1HB       SER   5  12.012  -3.941   5.291
   44    HG   SER   5           HG       SER   5  12.748  -3.462   3.388
   45    H    GLU   6           H        GLU   6   9.533  -4.577   1.838
   46    HA   GLU   6           HA       GLU   6  11.741  -6.084   0.607
   47   1HB   GLU   6          2HB       GLU   6   9.515  -7.054  -0.763
   48   2HB   GLU   6          1HB       GLU   6  10.386  -7.949   0.459
   49   1HG   GLU   6          2HG       GLU   6   8.025  -8.057   0.961
   50   2HG   GLU   6          1HG       GLU   6   8.752  -7.070   2.197
   51    H    THR   7           H        THR   7  11.375  -5.903  -1.917
   52    HA   THR   7           HA       THR   7   9.967  -3.385  -2.653
   53    HB   THR   7           HB       THR   7  11.935  -2.485  -3.883
   54    HG1  THR   7           HG1      THR   7  12.631  -4.448  -4.670
   55   1HG2  THR   7          1HG2      THR   7  13.086  -3.797  -1.356
   56   2HG2  THR   7          3HG2      THR   7  13.738  -2.393  -2.194
   57   3HG2  THR   7          2HG2      THR   7  12.208  -2.274  -1.341
   58    H    LEU   8           H        LEU   8   9.397  -6.056  -2.903
   59    HA   LEU   8           HA       LEU   8   9.965  -7.109  -5.542
   60   1HB   LEU   8          2HB       LEU   8   8.115  -8.756  -4.845
   61   2HB   LEU   8          1HB       LEU   8   9.479  -8.688  -3.777
   62    HG   LEU   8           HG       LEU   8   7.856  -6.830  -2.496
   63   1HD1  LEU   8          2HD1      LEU   8   6.120  -6.975  -4.204
   64   2HD1  LEU   8          1HD1      LEU   8   5.922  -8.687  -3.857
   65   3HD1  LEU   8          3HD1      LEU   8   5.601  -7.481  -2.613
   66   1HD2  LEU   8          1HD2      LEU   8   8.701  -8.929  -1.444
   67   2HD2  LEU   8          3HD2      LEU   8   7.037  -8.542  -1.058
   68   3HD2  LEU   8          2HD2      LEU   8   7.394  -9.802  -2.234
   69    H    CYS   9           H        CYS   9   8.531  -7.114  -7.413
   70    HA   CYS   9           HA       CYS   9   5.989  -5.870  -7.279
   71   1HB   CYS   9          2HB       CYS   9   6.491  -3.862  -8.627
   72   2HB   CYS   9          1HB       CYS   9   7.244  -3.825  -7.065
   73    H    GLY  10           H        GLY  10   5.059  -5.376  -9.418
   74   1HA   GLY  10          2HA       GLY  10   4.717  -5.959 -11.751
   75   2HA   GLY  10          1HA       GLY  10   6.291  -6.779 -11.725
   76    H    GLY  11           H        GLY  11   2.912  -7.073 -10.900
   77   1HA   GLY  11          2HA       GLY  11   1.602  -9.067 -10.803
   78   2HA   GLY  11          1HA       GLY  11   3.066  -9.996 -11.135
   79    H    GLU  12           H        GLU  12   4.671  -9.059  -9.056
   80    HA   GLU  12           HA       GLU  12   3.626 -10.616  -6.834
   81   1HB   GLU  12          2HB       GLU  12   6.103 -10.345  -7.843
   82   2HB   GLU  12          1HB       GLU  12   6.212  -9.043  -6.682
   83   1HG   GLU  12          2HG       GLU  12   5.571 -10.616  -4.851
   84   2HG   GLU  12          1HG       GLU  12   5.414 -11.895  -6.033
   85    H    LEU  13           H        LEU  13   4.728  -7.184  -7.008
   86    HA   LEU  13           HA       LEU  13   4.086  -6.410  -4.402
   87   1HB   LEU  13          2HB       LEU  13   4.947  -4.566  -5.327
   88   2HB   LEU  13          1HB       LEU  13   4.449  -4.839  -6.941
   89    HG   LEU  13           HG       LEU  13   2.007  -4.054  -5.587
   90   1HD1  LEU  13          3HD1      LEU  13   3.413  -3.429  -3.632
   91   2HD1  LEU  13          2HD1      LEU  13   4.285  -2.324  -4.678
   92   3HD1  LEU  13          1HD1      LEU  13   2.584  -2.067  -4.357
   93   1HD2  LEU  13          3HD2      LEU  13   2.743  -3.467  -7.863
   94   2HD2  LEU  13          2HD2      LEU  13   2.233  -2.081  -6.931
   95   3HD2  LEU  13          1HD2      LEU  13   3.948  -2.402  -7.157
   96    H    VAL  14           H        VAL  14   1.773  -6.432  -7.134
   97    HA   VAL  14           HA       VAL  14  -0.443  -5.469  -5.669
   98    HB   VAL  14           HB       VAL  14  -0.536  -5.791  -8.112
   99   1HG1  VAL  14          1HG1      VAL  14  -0.492  -8.796  -7.570
  100   2HG1  VAL  14          3HG1      VAL  14  -0.753  -8.048  -9.134
  101   3HG1  VAL  14          2HG1      VAL  14   0.783  -7.862  -8.320
  102   1HG2  VAL  14          3HG2      VAL  14  -2.634  -7.512  -6.723
  103   2HG2  VAL  14          2HG2      VAL  14  -2.707  -5.777  -6.958
  104   3HG2  VAL  14          1HG2      VAL  14  -2.782  -6.852  -8.340
  105    H    ASP  15           H        ASP  15   1.089  -8.598  -5.424
  106    HA   ASP  15           HA       ASP  15  -1.171  -9.849  -4.089
  107   1HB   ASP  15          2HB       ASP  15   0.609 -11.265  -5.119
  108   2HB   ASP  15          1HB       ASP  15   1.773 -10.600  -3.978
  109    H    THR  16           H        THR  16   1.416  -7.794  -3.105
  110    HA   THR  16           HA       THR  16   1.619  -8.422  -0.419
  111    HB   THR  16           HB       THR  16   2.364  -6.065  -0.004
  112    HG1  THR  16           HG1      THR  16   2.012  -5.306  -2.604
  113   1HG2  THR  16          1HG2      THR  16   3.249  -7.204  -2.702
  114   2HG2  THR  16          3HG2      THR  16   4.125  -5.999  -1.742
  115   3HG2  THR  16          2HG2      THR  16   3.915  -7.627  -1.150
  116    H    LEU  17           H        LEU  17  -0.287  -5.852  -1.735
  117    HA   LEU  17           HA       LEU  17  -1.902  -5.293   0.520
  118   1HB   LEU  17          2HB       LEU  17  -3.000  -5.438  -2.189
  119   2HB   LEU  17          1HB       LEU  17  -3.496  -4.306  -0.955
  120    HG   LEU  17           HG       LEU  17  -0.707  -4.158  -2.273
  121   1HD1  LEU  17          3HD1      LEU  17  -2.563  -3.639  -3.770
  122   2HD1  LEU  17          2HD1      LEU  17  -3.131  -2.452  -2.579
  123   3HD1  LEU  17          1HD1      LEU  17  -1.569  -2.230  -3.357
  124   1HD2  LEU  17          1HD2      LEU  17  -2.330  -2.289  -0.588
  125   2HD2  LEU  17          3HD2      LEU  17  -0.964  -3.259  -0.044
  126   3HD2  LEU  17          2HD2      LEU  17  -0.717  -1.990  -1.244
  127    H    GLN  18           H        GLN  18  -2.215  -7.648  -2.118
  128    HA   GLN  18           HA       GLN  18  -4.778  -8.505  -1.302
  129   1HB   GLN  18          2HB       GLN  18  -3.404  -9.215  -3.472
  130   2HB   GLN  18          1HB       GLN  18  -2.574 -10.371  -2.448
  131   1HG   GLN  18          2HG       GLN  18  -4.688 -11.550  -1.952
  132   2HG   GLN  18          1HG       GLN  18  -5.593 -10.371  -2.885
  133   1HE2  GLN  18          2HE2      GLN  18  -3.177 -12.955  -4.966
  134   2HE2  GLN  18          1HE2      GLN  18  -2.696 -12.495  -3.415
  135    H    PHE  19           H        PHE  19  -1.600  -9.361  -0.016
  136    HA   PHE  19           HA       PHE  19  -2.851 -11.377   1.738
  137   1HB   PHE  19          2HB       PHE  19  -0.645 -11.738   2.741
  138   2HB   PHE  19          1HB       PHE  19  -0.350 -11.506   1.035
  139    HD1  PHE  19           HD2      PHE  19  -0.596  -9.270   4.088
  140    HD2  PHE  19           HD1      PHE  19   1.576 -10.287   0.567
  141    HE1  PHE  19           HE2      PHE  19   0.931  -7.481   4.546
  142    HE2  PHE  19           HE1      PHE  19   3.159  -8.453   1.088
  143    HZ   PHE  19           HZ       PHE  19   2.858  -7.073   3.040
  144    H    VAL  20           H        VAL  20  -1.676  -7.857   2.166
  145    HA   VAL  20           HA       VAL  20  -2.705  -8.046   4.862
  146    HB   VAL  20           HB       VAL  20  -0.760  -6.586   3.581
  147   1HG1  VAL  20          1HG1      VAL  20  -3.020  -4.667   3.896
  148   2HG1  VAL  20          3HG1      VAL  20  -1.322  -4.252   3.685
  149   3HG1  VAL  20          2HG1      VAL  20  -2.187  -5.070   2.412
  150   1HG2  VAL  20          1HG2      VAL  20  -2.238  -5.891   6.086
  151   2HG2  VAL  20          3HG2      VAL  20  -0.941  -7.073   5.910
  152   3HG2  VAL  20          2HG2      VAL  20  -0.607  -5.356   5.659
  153    H    CYS  21           H        CYS  21  -3.727  -6.004   2.000
  154    HA   CYS  21           HA       CYS  21  -6.008  -4.986   3.312
  155   1HB   CYS  21          2HB       CYS  21  -5.144  -4.098   1.257
  156   2HB   CYS  21          1HB       CYS  21  -5.524  -5.494   0.418
  157    H    GLY  22           H        GLY  22  -5.551  -7.722   1.241
  158   1HA   GLY  22          2HA       GLY  22  -6.607  -9.841   1.367
  159   2HA   GLY  22          1HA       GLY  22  -7.729  -9.195   2.549
  160    H    ASP  23           H        ASP  23  -8.883 -10.651   1.119
  161    HA   ASP  23           HA       ASP  23  -9.818  -9.994  -1.476
  162   1HB   ASP  23          2HB       ASP  23  -9.878 -12.267  -0.497
  163   2HB   ASP  23          1HB       ASP  23 -11.047 -11.732   0.703
  164    NH1  ARG  24           NH2      ARG  24 -10.304  -6.285   4.401
  165    NH2  ARG  24           NH1      ARG  24 -12.143  -4.987   4.865
  166    H    ARG  24           H        ARG  24 -10.113  -7.680  -0.908
  167    HA   ARG  24           HA       ARG  24 -12.980  -7.153  -0.634
  168   1HB   ARG  24          2HB       ARG  24 -12.728  -5.479   1.113
  169   2HB   ARG  24          1HB       ARG  24 -12.071  -6.971   1.730
  170   1HG   ARG  24          2HG       ARG  24  -9.914  -6.148   1.906
  171   2HG   ARG  24          1HG       ARG  24  -9.998  -5.272   0.416
  172   1HD   ARG  24          2HD       ARG  24 -10.133  -3.438   1.609
  173   2HD   ARG  24          1HD       ARG  24 -11.812  -3.820   1.920
  174    HE   ARG  24           HE       ARG  24  -9.876  -3.583   3.935
  175   1HH1  ARG  24          1HH2      ARG  24  -9.412  -6.364   3.926
  176   2HH1  ARG  24          2HH2      ARG  24 -10.621  -7.056   4.945
  177   1HH2  ARG  24          2HH1      ARG  24 -12.616  -4.114   4.742
  178   2HH2  ARG  24          1HH1      ARG  24 -12.573  -5.687   5.434
  179    H    GLY  25           H        GLY  25  -9.708  -6.413  -1.454
  180   1HA   GLY  25          2HA       GLY  25  -9.243  -5.419  -3.617
  181   2HA   GLY  25          1HA       GLY  25 -10.670  -4.421  -3.373
  182    H    PHE  26           H        PHE  26  -8.005  -3.439  -3.952
  183    HA   PHE  26           HA       PHE  26  -7.430  -1.642  -1.607
  184   1HB   PHE  26          2HB       PHE  26  -4.997  -2.048  -2.532
  185   2HB   PHE  26          1HB       PHE  26  -5.643  -2.796  -1.092
  186    HD1  PHE  26           HD2      PHE  26  -6.645  -5.028  -1.198
  187    HD2  PHE  26           HD1      PHE  26  -4.569  -3.400  -4.518
  188    HE1  PHE  26           HE2      PHE  26  -6.460  -7.212  -2.076
  189    HE2  PHE  26           HE1      PHE  26  -4.354  -5.599  -5.469
  190    HZ   PHE  26           HZ       PHE  26  -5.297  -7.589  -4.286
  191    OH   TYR  27           OH       TYR  27  -8.361   3.220   1.585
  192    H    TYR  27           H        TYR  27  -6.208   0.201  -2.310
  193    HA   TYR  27           HA       TYR  27  -6.299   0.636  -5.195
  194   1HB   TYR  27          2HB       TYR  27  -7.000   3.150  -4.440
  195   2HB   TYR  27          1HB       TYR  27  -8.223   1.902  -4.415
  196    HD1  TYR  27           HD2      TYR  27  -5.518   3.039  -1.903
  197    HD2  TYR  27           HD1      TYR  27  -9.621   2.071  -2.572
  198    HE1  TYR  27           HE2      TYR  27  -6.002   3.445   0.435
  199    HE2  TYR  27           HE1      TYR  27 -10.069   2.511  -0.218
  200    HH   TYR  27           HH       TYR  27  -8.567   2.335   1.944
  201    H    PHE  28           H        PHE  28  -4.675   2.039  -6.022
  202    HA   PHE  28           HA       PHE  28  -2.342   2.107  -4.349
  203   1HB   PHE  28          2HB       PHE  28  -1.337   3.170  -6.537
  204   2HB   PHE  28          1HB       PHE  28  -1.994   1.558  -6.776
  205    HD1  PHE  28           HD1      PHE  28  -2.579   5.186  -7.337
  206    HD2  PHE  28           HD2      PHE  28  -4.072   1.247  -8.027
  207    HE1  PHE  28           HE1      PHE  28  -4.146   6.066  -8.994
  208    HE2  PHE  28           HE2      PHE  28  -5.640   2.142  -9.678
  209    HZ   PHE  28           HZ       PHE  28  -5.680   4.547 -10.169
  210    H    SER  29           H        SER  29  -4.875   4.057  -4.998
  211    HA   SER  29           HA       SER  29  -5.152   6.403  -4.953
  212   1HB   SER  29          2HB       SER  29  -4.503   5.362  -2.186
  213   2HB   SER  29          1HB       SER  29  -5.283   6.928  -2.489
  214    HG   SER  29           HG       SER  29  -6.688   4.882  -2.363
  215    NH1  ARG  30           NH1      ARG  30   0.385   7.266  -9.661
  216    NH2  ARG  30           NH2      ARG  30   1.862   5.520  -9.890
  217    H    ARG  30           H        ARG  30  -3.195   6.838  -6.198
  218    HA   ARG  30           HA       ARG  30  -1.118   8.353  -4.653
  219   1HB   ARG  30          2HB       ARG  30  -1.074   7.393  -7.510
  220   2HB   ARG  30          1HB       ARG  30   0.286   8.122  -6.661
  221   1HG   ARG  30          2HG       ARG  30   0.148   6.194  -5.037
  222   2HG   ARG  30          1HG       ARG  30  -1.053   5.464  -6.044
  223   1HD   ARG  30          2HD       ARG  30   1.751   6.130  -6.992
  224   2HD   ARG  30          1HD       ARG  30   1.132   4.515  -6.655
  225    HE   ARG  30           HE       ARG  30  -0.539   4.908  -8.532
  226   1HH1  ARG  30          2HH1      ARG  30  -0.382   7.663  -9.153
  227   2HH1  ARG  30          1HH1      ARG  30   0.765   7.798 -10.418
  228   1HH2  ARG  30          1HH2      ARG  30   2.141   4.612  -9.577
  229   2HH2  ARG  30          2HH2      ARG  30   2.380   5.951 -10.628
  230    HA   PRO  31           HA       PRO  31  -3.717  11.457  -6.995
  231   1HB   PRO  31          2HB       PRO  31  -4.695  12.988  -5.037
  232   2HB   PRO  31          1HB       PRO  31  -5.299  11.332  -5.228
  233   1HG   PRO  31          2HG       PRO  31  -3.051  12.291  -3.349
  234   2HG   PRO  31          1HG       PRO  31  -4.489  11.374  -2.908
  235   1HD   PRO  31          2HD       PRO  31  -2.115  10.069  -3.469
  236   2HD   PRO  31          1HD       PRO  31  -3.697   9.370  -3.858
  237    H    ALA  32           H        ALA  32  -1.059  11.428  -5.506
  238    HA   ALA  32           HA       ALA  32  -0.281  14.297  -5.734
  239   1HB   ALA  32          3HB       ALA  32   1.261  11.897  -4.622
  240   2HB   ALA  32          2HB       ALA  32   1.839  13.538  -4.537
  241   3HB   ALA  32          1HB       ALA  32   0.398  13.075  -3.659
  242    H    SER  33           H        SER  33   2.192  14.331  -6.408
  243    HA   SER  33           HA       SER  33   2.814  12.775  -8.825
  244   1HB   SER  33          2HB       SER  33   3.263  15.810  -8.771
  245   2HB   SER  33          1HB       SER  33   3.107  14.772 -10.184
  246    HG   SER  33           HG       SER  33   0.859  14.461  -9.003
  247    NH1  ARG  34           NH1      ARG  34   8.965  14.389  -4.581
  248    NH2  ARG  34           NH2      ARG  34   8.334  13.380  -2.616
  249    H    ARG  34           H        ARG  34   5.281  14.281  -9.021
  250    HA   ARG  34           HA       ARG  34   6.193  14.331  -6.180
  251   1HB   ARG  34          2HB       ARG  34   7.342  12.646  -8.444
  252   2HB   ARG  34          1HB       ARG  34   8.365  13.079  -7.102
  253   1HG   ARG  34          2HG       ARG  34   5.647  11.817  -6.527
  254   2HG   ARG  34          1HG       ARG  34   6.979  10.812  -7.030
  255   1HD   ARG  34          2HD       ARG  34   6.761  11.001  -4.520
  256   2HD   ARG  34          1HD       ARG  34   8.336  11.472  -5.145
  257    HE   ARG  34           HE       ARG  34   6.265  13.569  -4.439
  258   1HH1  ARG  34          2HH1      ARG  34   8.779  14.560  -5.554
  259   2HH1  ARG  34          1HH1      ARG  34   9.777  14.819  -4.195
  260   1HH2  ARG  34          1HH2      ARG  34   7.655  12.794  -2.171
  261   2HH2  ARG  34          2HH2      ARG  34   9.102  13.743  -2.090
  262    H    VAL  35           H        VAL  35   5.889  16.113  -8.645
  263    HA   VAL  35           HA       VAL  35   8.342  17.324  -9.064
  264    HB   VAL  35           HB       VAL  35   5.436  18.277  -9.340
  265   1HG1  VAL  35          2HG1      VAL  35   7.009  20.079  -9.521
  266   2HG1  VAL  35          1HG1      VAL  35   7.895  19.186 -10.761
  267   3HG1  VAL  35          3HG1      VAL  35   6.236  19.731 -11.072
  268   1HG2  VAL  35          3HG2      VAL  35   7.196  16.895 -11.429
  269   2HG2  VAL  35          2HG2      VAL  35   5.846  16.127 -10.625
  270   3HG2  VAL  35          1HG2      VAL  35   5.564  17.475 -11.696
  271    H    SER  36           H        SER  36   6.118  17.541  -6.834
  272    HA   SER  36           HA       SER  36   7.667  18.960  -4.855
  273   1HB   SER  36          2HB       SER  36   6.759  20.831  -6.616
  274   2HB   SER  36          1HB       SER  36   5.322  20.766  -5.595
  275    HG   SER  36           HG       SER  36   6.521  22.108  -4.398
  276    NH1  ARG  37           NH2      ARG  37   1.272  18.717  -9.366
  277    NH2  ARG  37           NH1      ARG  37   2.041  20.628  -8.360
  278    H    ARG  37           H        ARG  37   5.237  17.221  -5.640
  279    HA   ARG  37           HA       ARG  37   3.555  17.547  -3.219
  280   1HB   ARG  37          2HB       ARG  37   3.351  15.658  -5.579
  281   2HB   ARG  37          1HB       ARG  37   2.312  15.518  -4.178
  282   1HG   ARG  37          2HG       ARG  37   1.018  16.718  -5.770
  283   2HG   ARG  37          1HG       ARG  37   1.532  17.903  -4.594
  284   1HD   ARG  37          2HD       ARG  37   3.261  18.766  -6.119
  285   2HD   ARG  37          1HD       ARG  37   2.952  17.448  -7.258
  286    HE   ARG  37           HE       ARG  37   0.554  19.008  -6.670
  287   1HH1  ARG  37          1HH2      ARG  37   0.931  17.774  -9.262
  288   2HH1  ARG  37          2HH2      ARG  37   1.363  19.085 -10.292
  289   1HH2  ARG  37          2HH1      ARG  37   2.254  21.102  -7.506
  290   2HH2  ARG  37          1HH1      ARG  37   2.191  21.106  -9.225
  291    NH1  ARG  38           NH2      ARG  38   3.075  20.248   0.725
  292    NH2  ARG  38           NH1      ARG  38   3.713  20.113   2.919
  293    H    ARG  38           H        ARG  38   3.468  16.136  -1.626
  294    HA   ARG  38           HA       ARG  38   5.764  14.370  -1.192
  295   1HB   ARG  38          2HB       ARG  38   3.576  15.153   0.763
  296   2HB   ARG  38          1HB       ARG  38   5.225  14.685   1.131
  297   1HG   ARG  38          2HG       ARG  38   6.173  16.730   0.429
  298   2HG   ARG  38          1HG       ARG  38   4.809  17.218  -0.548
  299   1HD   ARG  38          2HD       ARG  38   3.439  17.316   1.613
  300   2HD   ARG  38          1HD       ARG  38   4.965  17.154   2.476
  301    HE   ARG  38           HE       ARG  38   5.638  19.262   0.997
  302   1HH1  ARG  38          1HH2      ARG  38   3.235  19.954  -0.215
  303   2HH1  ARG  38          2HH2      ARG  38   2.332  20.889   0.911
  304   1HH2  ARG  38          2HH1      ARG  38   4.337  19.719   3.593
  305   2HH2  ARG  38          1HH1      ARG  38   3.011  20.750   3.232
  306    H    SER  39           H        SER  39   4.620  12.784   0.753
  307    HA   SER  39           HA       SER  39   3.463  10.836   1.196
  308   1HB   SER  39          2HB       SER  39   1.453  12.066   0.097
  309   2HB   SER  39          1HB       SER  39   1.854  11.218  -1.404
  310    HG   SER  39           HG       SER  39   0.555  10.278   0.699
  311    NH1  ARG  40           NH1      ARG  40   7.343   4.925   2.453
  312    NH2  ARG  40           NH2      ARG  40   8.090   3.013   1.455
  313    H    ARG  40           H        ARG  40   2.789   8.733  -0.198
  314    HA   ARG  40           HA       ARG  40   5.029   7.889  -1.863
  315   1HB   ARG  40          2HB       ARG  40   3.805   7.104   0.688
  316   2HB   ARG  40          1HB       ARG  40   3.831   5.799  -0.392
  317   1HG   ARG  40          2HG       ARG  40   6.358   7.486  -0.027
  318   2HG   ARG  40          1HG       ARG  40   5.801   6.565   1.364
  319   1HD   ARG  40          2HD       ARG  40   5.636   4.584  -0.268
  320   2HD   ARG  40          1HD       ARG  40   6.522   5.568  -1.422
  321    HE   ARG  40           HE       ARG  40   8.552   5.071  -0.195
  322   1HH1  ARG  40          2HH1      ARG  40   7.066   5.877   2.345
  323   2HH1  ARG  40          1HH1      ARG  40   7.324   4.521   3.368
  324   1HH2  ARG  40          1HH2      ARG  40   8.353   2.472   0.648
  325   2HH2  ARG  40          2HH2      ARG  40   8.147   2.488   2.307
  326    H    GLY  41           H        GLY  41   3.913   5.414  -2.588
  327   1HA   GLY  41          2HA       GLY  41   1.170   5.517  -3.395
  328   2HA   GLY  41          1HA       GLY  41   2.213   6.098  -4.699
  329    H    ILE  42           H        ILE  42   0.658   3.348  -4.482
  330    HA   ILE  42           HA       ILE  42   2.239   1.198  -4.008
  331    HB   ILE  42           HB       ILE  42   0.255   1.943  -6.132
  332   1HG1  ILE  42          2HG1      ILE  42  -0.523   1.809  -3.745
  333   2HG1  ILE  42          1HG1      ILE  42  -1.290   0.556  -4.750
  334   1HG2  ILE  42          3HG2      ILE  42   1.321  -0.767  -5.621
  335   2HG2  ILE  42          2HG2      ILE  42  -0.091  -0.357  -6.613
  336   3HG2  ILE  42          1HG2      ILE  42   1.511   0.207  -7.088
  337   1HD1  ILE  42          3HD1      ILE  42   0.296  -1.087  -3.904
  338   2HD1  ILE  42          2HD1      ILE  42   1.004   0.151  -2.877
  339   3HD1  ILE  42          1HD1      ILE  42  -0.660  -0.319  -2.644
  340    H    VAL  43           H        VAL  43   3.464  -0.083  -5.570
  341    HA   VAL  43           HA       VAL  43   5.305  -0.554  -6.791
  342    HB   VAL  43           HB       VAL  43   5.555   0.731  -8.993
  343   1HG1  VAL  43          2HG1      VAL  43   4.690  -1.498  -8.929
  344   2HG1  VAL  43          1HG1      VAL  43   3.071  -0.897  -8.549
  345   3HG1  VAL  43          3HG1      VAL  43   3.798  -0.571 -10.114
  346   1HG2  VAL  43          2HG2      VAL  43   2.734   1.646  -8.400
  347   2HG2  VAL  43          1HG2      VAL  43   4.143   2.689  -8.635
  348   3HG2  VAL  43          3HG2      VAL  43   3.524   1.732  -9.965
  349    H    GLU  44           H        GLU  44   5.088   3.069  -7.014
  350    HA   GLU  44           HA       GLU  44   7.871   3.309  -7.214
  351   1HB   GLU  44          2HB       GLU  44   5.596   5.081  -6.758
  352   2HB   GLU  44          1HB       GLU  44   6.886   5.580  -5.702
  353   1HG   GLU  44          2HG       GLU  44   8.434   5.252  -7.791
  354   2HG   GLU  44          1HG       GLU  44   7.000   4.996  -8.661
  355    H    GLU  45           H        GLU  45   5.754   3.059  -4.474
  356    HA   GLU  45           HA       GLU  45   7.825   3.441  -2.514
  357   1HB   GLU  45          2HB       GLU  45   6.091   2.553  -1.012
  358   2HB   GLU  45          1HB       GLU  45   5.436   3.747  -2.146
  359   1HG   GLU  45          2HG       GLU  45   4.881   1.711  -3.634
  360   2HG   GLU  45          1HG       GLU  45   5.342   0.771  -2.202
  361    H    CYS  46           H        CYS  46   6.244   0.502  -3.741
  362    HA   CYS  46           HA       CYS  46   8.260  -1.124  -2.296
  363   1HB   CYS  46          2HB       CYS  46   5.594  -1.559  -2.667
  364   2HB   CYS  46          1HB       CYS  46   6.208  -2.426  -4.049
  365    H    CYS  47           H        CYS  47   7.116  -0.839  -5.606
  366    HA   CYS  47           HA       CYS  47   9.004  -2.589  -6.738
  367   1HB   CYS  47          2HB       CYS  47   6.987  -1.276  -7.888
  368   2HB   CYS  47          1HB       CYS  47   8.202  -0.080  -8.264
  369    H    PHE  48           H        PHE  48   9.137   1.076  -6.140
  370    HA   PHE  48           HA       PHE  48  11.985   0.971  -6.734
  371   1HB   PHE  48          2HB       PHE  48   9.702   2.805  -6.664
  372   2HB   PHE  48          1HB       PHE  48  11.202   3.517  -6.336
  373    HD1  PHE  48           HD1      PHE  48  10.930   0.619  -8.674
  374    HD2  PHE  48           HD2      PHE  48  10.762   4.886  -8.422
  375    HE1  PHE  48           HE1      PHE  48  11.003   0.765 -11.092
  376    HE2  PHE  48           HE2      PHE  48  10.834   5.013 -10.856
  377    HZ   PHE  48           HZ       PHE  48  10.960   2.961 -12.209
  378    NH1  ARG  49           NH2      ARG  49   9.330   5.872  -5.572
  379    NH2  ARG  49           NH1      ARG  49   9.390   7.988  -4.779
  380    H    ARG  49           H        ARG  49   9.927   2.175  -3.825
  381    HA   ARG  49           HA       ARG  49  12.563   2.175  -2.350
  382   1HB   ARG  49          2HB       ARG  49   9.778   3.120  -1.389
  383   2HB   ARG  49          1HB       ARG  49  11.250   3.216  -0.448
  384   1HG   ARG  49          2HG       ARG  49  10.870   5.435  -1.278
  385   2HG   ARG  49          1HG       ARG  49  12.265   4.770  -2.108
  386   1HD   ARG  49          2HD       ARG  49  10.991   4.280  -4.071
  387   2HD   ARG  49          1HD       ARG  49   9.472   4.635  -3.255
  388    HE   ARG  49           HE       ARG  49  11.277   6.945  -3.412
  389   1HH1  ARG  49          1HH2      ARG  49   9.589   4.902  -5.531
  390   2HH1  ARG  49          2HH2      ARG  49   8.704   6.186  -6.297
  391   1HH2  ARG  49          2HH1      ARG  49   9.714   8.686  -4.144
  392   2HH2  ARG  49          1HH1      ARG  49   8.734   8.236  -5.510
  393    H    SER  50           H        SER  50  10.966   1.557   0.163
  394    HA   SER  50           HA       SER  50  10.776  -1.398  -0.128
  395   1HB   SER  50          2HB       SER  50  11.198  -1.150   2.497
  396   2HB   SER  50          1HB       SER  50  12.602  -0.991   1.439
  397    HG   SER  50           HG       SER  50  11.774   0.790   3.116
  398    H    CYS  51           H        CYS  51   8.735  -2.356   0.697
  399    HA   CYS  51           HA       CYS  51   6.858  -0.332   1.886
  400   1HB   CYS  51          2HB       CYS  51   5.136  -0.907   0.463
  401   2HB   CYS  51          1HB       CYS  51   6.514  -0.853  -0.581
  402    H    ASP  52           H        ASP  52   7.844  -1.549   3.795
  403    HA   ASP  52           HA       ASP  52   6.943  -4.191   4.485
  404   1HB   ASP  52          2HB       ASP  52   8.654  -2.479   5.766
  405   2HB   ASP  52          1HB       ASP  52   7.203  -2.081   6.655
  406    H    LEU  53           H        LEU  53   5.244  -4.614   6.206
  407    HA   LEU  53           HA       LEU  53   2.707  -3.681   5.296
  408   1HB   LEU  53          2HB       LEU  53   3.589  -5.094   7.807
  409   2HB   LEU  53          1HB       LEU  53   2.001  -4.365   7.804
  410    HG   LEU  53           HG       LEU  53   1.510  -5.550   5.652
  411   1HD1  LEU  53          3HD1      LEU  53   4.088  -7.023   6.259
  412   2HD1  LEU  53          2HD1      LEU  53   2.900  -7.598   5.139
  413   3HD1  LEU  53          1HD1      LEU  53   3.694  -6.072   4.827
  414   1HD2  LEU  53          1HD2      LEU  53   2.114  -7.341   8.054
  415   2HD2  LEU  53          3HD2      LEU  53   0.625  -6.442   7.782
  416   3HD2  LEU  53          2HD2      LEU  53   1.050  -7.775   6.732
  417    H    ALA  54           H        ALA  54   2.498  -1.666   5.172
  418    HA   ALA  54           HA       ALA  54   1.800  -0.008   7.443
  419   1HB   ALA  54          3HB       ALA  54   4.331   0.693   5.843
  420   2HB   ALA  54          2HB       ALA  54   3.585   1.735   7.054
  421   3HB   ALA  54          1HB       ALA  54   4.311   0.203   7.524
  422    H    LEU  55           H        LEU  55   3.169   0.372   4.142
  423    HA   LEU  55           HA       LEU  55   1.226   2.274   3.350
  424   1HB   LEU  55          2HB       LEU  55   3.533   0.673   2.328
  425   2HB   LEU  55          1HB       LEU  55   2.474   1.235   1.153
  426    HG   LEU  55           HG       LEU  55   3.658   3.006   3.382
  427   1HD1  LEU  55          2HD1      LEU  55   4.633   2.594   0.528
  428   2HD1  LEU  55          1HD1      LEU  55   5.300   3.727   1.700
  429   3HD1  LEU  55          3HD1      LEU  55   5.459   1.995   1.961
  430   1HD2  LEU  55          3HD2      LEU  55   1.666   4.002   2.145
  431   2HD2  LEU  55          2HD2      LEU  55   3.133   4.903   1.843
  432   3HD2  LEU  55          1HD2      LEU  55   2.523   3.779   0.639
  433    H    LEU  56           H        LEU  56   1.792  -1.039   2.568
  434    HA   LEU  56           HA       LEU  56  -0.393  -1.542   0.886
  435   1HB   LEU  56          2HB       LEU  56   1.041  -3.201   2.857
  436   2HB   LEU  56          1HB       LEU  56  -0.046  -3.923   1.713
  437    HG   LEU  56           HG       LEU  56   1.400  -3.752  -0.124
  438   1HD1  LEU  56          2HD1      LEU  56   1.751  -1.199  -0.078
  439   2HD1  LEU  56          1HD1      LEU  56   2.985  -1.453   1.150
  440   3HD1  LEU  56          3HD1      LEU  56   3.189  -2.116  -0.447
  441   1HD2  LEU  56          2HD2      LEU  56   2.524  -5.037   1.754
  442   2HD2  LEU  56          1HD2      LEU  56   3.692  -4.273   0.685
  443   3HD2  LEU  56          3HD2      LEU  56   3.328  -3.562   2.236
  444    H    GLU  57           H        GLU  57  -0.307  -1.695   4.392
  445    HA   GLU  57           HA       GLU  57  -2.873  -2.919   4.537
  446   1HB   GLU  57          2HB       GLU  57  -2.884  -1.990   6.949
  447   2HB   GLU  57          1HB       GLU  57  -1.607  -3.098   6.537
  448   1HG   GLU  57          2HG       GLU  57  -0.011  -1.247   6.335
  449   2HG   GLU  57          1HG       GLU  57  -1.291  -0.066   6.612
  450    H    THR  58           H        THR  58  -1.778   0.451   4.848
  451    HA   THR  58           HA       THR  58  -4.471   1.468   5.070
  452    HB   THR  58           HB       THR  58  -2.444   2.770   5.861
  453    HG1  THR  58           HG1      THR  58  -4.544   3.666   4.574
  454   1HG2  THR  58          3HG2      THR  58  -1.912   3.236   2.902
  455   2HG2  THR  58          2HG2      THR  58  -1.090   4.024   4.246
  456   3HG2  THR  58          1HG2      THR  58  -0.906   2.302   3.991
  457    OH   TYR  59           OH       TYR  59   0.996   4.378  -1.570
  458    H    TYR  59           H        TYR  59  -2.560   0.372   2.268
  459    HA   TYR  59           HA       TYR  59  -4.106   1.942   0.349
  460   1HB   TYR  59          2HB       TYR  59  -2.361  -0.474   0.159
  461   2HB   TYR  59          1HB       TYR  59  -3.300   0.023  -1.246
  462    HD1  TYR  59           HD1      TYR  59  -3.168   2.845  -1.419
  463    HD2  TYR  59           HD2      TYR  59  -0.117   0.263   0.015
  464    HE1  TYR  59           HE1      TYR  59  -1.446   4.516  -1.955
  465    HE2  TYR  59           HE2      TYR  59   1.556   1.922  -0.503
  466    HH   TYR  59           HH       TYR  59   1.864   3.981  -1.683
  467    H    CYS  60           H        CYS  60  -4.969  -0.754   2.250
  468    HA   CYS  60           HA       CYS  60  -6.651  -2.208   0.644
  469   1HB   CYS  60          2HB       CYS  60  -5.962  -2.447   3.116
  470   2HB   CYS  60          1HB       CYS  60  -7.306  -1.396   3.476
  471    H    ALA  61           H        ALA  61  -8.669  -2.072  -0.133
  472    HA   ALA  61           HA       ALA  61  -9.840   0.302  -0.942
  473   1HB   ALA  61          1HB       ALA  61 -11.259  -2.341  -0.470
  474   2HB   ALA  61          3HB       ALA  61 -11.928  -0.989  -1.360
  475   3HB   ALA  61          2HB       ALA  61 -10.498  -1.792  -1.953
  476    H    THR  62           H        THR  62 -10.331  -1.117   2.153
  477    HA   THR  62           HA       THR  62 -12.824   0.217   2.755
  478    HB   THR  62           HB       THR  62 -11.997  -1.676   4.156
  479    HG1  THR  62           HG1      THR  62 -11.781   0.519   5.897
  480   1HG2  THR  62          2HG2      THR  62  -9.754   0.230   4.992
  481   2HG2  THR  62          1HG2      THR  62 -10.049  -1.355   5.687
  482   3HG2  THR  62          3HG2      THR  62  -9.521  -1.198   4.022
  483    HA   PRO  63           HA       PRO  63 -11.257   4.357   2.930
  484   1HB   PRO  63          2HB       PRO  63 -12.964   5.636   4.623
  485   2HB   PRO  63          1HB       PRO  63 -13.503   5.014   3.054
  486   1HG   PRO  63          2HG       PRO  63 -13.677   3.635   5.793
  487   2HG   PRO  63          1HG       PRO  63 -14.999   3.893   4.651
  488   1HD   PRO  63          2HD       PRO  63 -13.698   1.518   4.667
  489   2HD   PRO  63          1HD       PRO  63 -14.156   2.241   3.115
  490    H    ALA  64           H        ALA  64  -9.466   3.218   3.950
  491    HA   ALA  64           HA       ALA  64  -8.828   4.069   6.726
  492   1HB   ALA  64          3HB       ALA  64  -7.725   1.799   5.008
  493   2HB   ALA  64          2HB       ALA  64  -7.193   2.138   6.637
  494   3HB   ALA  64          1HB       ALA  64  -8.838   1.596   6.351
  495    H    LYS  65           H        LYS  65  -8.488   6.214   4.996
  496    HA   LYS  65           HA       LYS  65  -6.027   6.189   3.649
  497   1HB   LYS  65          2HB       LYS  65  -8.058   8.154   4.699
  498   2HB   LYS  65          1HB       LYS  65  -6.656   8.643   3.876
  499   1HG   LYS  65          2HG       LYS  65  -7.460   7.112   1.892
  500   2HG   LYS  65          1HG       LYS  65  -8.979   6.990   2.751
  501   1HD   LYS  65          2HD       LYS  65  -7.624   9.578   1.828
  502   2HD   LYS  65          1HD       LYS  65  -8.959   8.847   0.984
  503   1HE   LYS  65          2HE       LYS  65  -9.117   9.860   3.878
  504   2HE   LYS  65          1HE       LYS  65  -9.572  10.809   2.482
  505   1HZ   LYS  65          1HZ       LYS  65 -10.884   8.370   2.221
  506   2HZ   LYS  65          3HZ       LYS  65 -11.089   8.834   3.831
  507   3HZ   LYS  65          2HZ       LYS  65 -11.572   9.874   2.576
  508    H    SER  66           H        SER  66  -4.227   5.686   5.090
  509    HA   SER  66           HA       SER  66  -4.084   7.411   7.531
  510   1HB   SER  66          2HB       SER  66  -4.154   4.817   7.774
  511   2HB   SER  66          1HB       SER  66  -2.505   4.846   7.125
  512    HG   SER  66           HG       SER  66  -1.859   5.661   9.011
  513    H    GLU  67           HN       GLU  67  -1.935   7.871   8.270
  514    HA   GLU  67           HA       GLU  67   0.368   8.009   6.554
  515   1HB   GLU  67          2HB       GLU  67  -1.170   9.976   5.707
  516   2HB   GLU  67          1HB       GLU  67  -1.019  10.648   7.315
  517   1HG   GLU  67          2HG       GLU  67   1.454  10.840   7.011
  518   2HG   GLU  67          1HG       GLU  67   1.307  10.159   5.400
   
  Start of MODEL          18
 Raw file had  518 H/Q atoms
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1   4.661 -14.201   9.987
    2   2H    ALA   1          3H        ALA   1   3.821 -14.275  11.456
    3   3H    ALA   1          2H        ALA   1   3.098 -13.553  10.094
    4    HA   ALA   1           HA       ALA   1   3.974 -11.585  10.603
    5   1HB   ALA   1          2HB       ALA   1   3.875 -12.381  13.043
    6   2HB   ALA   1          1HB       ALA   1   5.488 -13.066  12.846
    7   3HB   ALA   1          3HB       ALA   1   5.251 -11.335  12.757
    8    OH   TYR   2           OH       TYR   2   3.037 -12.258   5.731
    9    H    TYR   2           H        TYR   2   6.228 -10.430  10.655
   10    HA   TYR   2           HA       TYR   2   8.216 -12.145   9.209
   11   1HB   TYR   2          2HB       TYR   2   7.571  -9.184   8.572
   12   2HB   TYR   2          1HB       TYR   2   8.551 -10.299   7.614
   13    HD1  TYR   2           HD1      TYR   2   7.373 -12.565   6.917
   14    HD2  TYR   2           HD2      TYR   2   5.240  -9.059   8.069
   15    HE1  TYR   2           HE1      TYR   2   5.350 -13.429   5.827
   16    HE2  TYR   2           HE2      TYR   2   3.228  -9.939   6.974
   17    HH   TYR   2           HH       TYR   2   2.717 -11.627   5.074
   18    NH1  ARG   3           NH2      ARG   3  13.166 -14.384  13.295
   19    NH2  ARG   3           NH1      ARG   3  12.181 -14.210  15.360
   20    H    ARG   3           H        ARG   3  10.027  -9.780   9.084
   21    HA   ARG   3           HA       ARG   3  10.616  -8.736  11.623
   22   1HB   ARG   3          2HB       ARG   3  11.259 -11.547  11.523
   23   2HB   ARG   3          1HB       ARG   3  12.793 -10.714  11.363
   24   1HG   ARG   3          2HG       ARG   3  12.268  -9.336  13.375
   25   2HG   ARG   3          1HG       ARG   3  10.755 -10.198  13.568
   26   1HD   ARG   3          2HD       ARG   3  13.546 -11.452  13.676
   27   2HD   ARG   3          1HD       ARG   3  12.507 -11.137  15.058
   28    HE   ARG   3           HE       ARG   3  10.919 -12.693  13.364
   29   1HH1  ARG   3          1HH2      ARG   3  13.282 -13.982  12.387
   30   2HH1  ARG   3          2HH2      ARG   3  13.647 -15.234  13.514
   31   1HH2  ARG   3          2HH1      ARG   3  11.571 -13.686  15.955
   32   2HH2  ARG   3          1HH1      ARG   3  12.605 -15.043  15.716
   33    HA   PRO   4           HA       PRO   4  14.024  -7.831   8.431
   34   1HB   PRO   4          2HB       PRO   4  14.066  -9.201   6.034
   35   2HB   PRO   4          1HB       PRO   4  14.825  -9.859   7.477
   36   1HG   PRO   4          2HG       PRO   4  11.957 -10.372   6.513
   37   2HG   PRO   4          1HG       PRO   4  13.233 -11.569   6.769
   38   1HD   PRO   4          2HD       PRO   4  11.491 -11.072   8.762
   39   2HD   PRO   4          1HD       PRO   4  13.220 -11.228   9.139
   40    H    SER   5           H        SER   5  13.335  -7.664   5.584
   41    HA   SER   5           HA       SER   5  10.675  -6.531   5.330
   42   1HB   SER   5          2HB       SER   5  12.174  -4.750   6.519
   43   2HB   SER   5          1HB       SER   5  13.097  -4.688   5.003
   44    HG   SER   5           HG       SER   5  11.459  -3.541   4.186
   45    H    GLU   6           H        GLU   6  10.532  -5.751   2.977
   46    HA   GLU   6           HA       GLU   6  12.641  -6.754   1.190
   47   1HB   GLU   6          2HB       GLU   6  10.523  -8.074  -0.029
   48   2HB   GLU   6          1HB       GLU   6  11.564  -8.847   1.160
   49   1HG   GLU   6          2HG       GLU   6   8.966  -9.040   1.421
   50   2HG   GLU   6          1HG       GLU   6   9.826  -8.589   2.881
   51    H    THR   7           H        THR   7  11.412  -6.718  -1.133
   52    HA   THR   7           HA       THR   7   9.910  -4.215  -1.545
   53    HB   THR   7           HB       THR   7  11.603  -3.565  -3.370
   54    HG1  THR   7           HG1      THR   7  12.328  -5.992  -3.084
   55   1HG2  THR   7          1HG2      THR   7  11.936  -2.637  -1.017
   56   2HG2  THR   7          3HG2      THR   7  12.961  -4.013  -0.646
   57   3HG2  THR   7          2HG2      THR   7  13.453  -2.862  -1.880
   58    H    LEU   8           H        LEU   8   8.436  -4.588  -3.239
   59    HA   LEU   8           HA       LEU   8   8.928  -6.967  -4.978
   60   1HB   LEU   8          2HB       LEU   8   6.195  -6.340  -3.840
   61   2HB   LEU   8          1HB       LEU   8   6.664  -7.747  -4.743
   62    HG   LEU   8           HG       LEU   8   8.367  -7.922  -2.548
   63   1HD1  LEU   8          3HD1      LEU   8   5.693  -6.775  -1.682
   64   2HD1  LEU   8          2HD1      LEU   8   6.836  -7.514  -0.592
   65   3HD1  LEU   8          1HD1      LEU   8   7.259  -6.028  -1.420
   66   1HD2  LEU   8          1HD2      LEU   8   5.555  -9.049  -2.745
   67   2HD2  LEU   8          3HD2      LEU   8   7.000  -9.747  -3.479
   68   3HD2  LEU   8          2HD2      LEU   8   6.860  -9.655  -1.730
   69    H    CYS   9           H        CYS   9   7.603  -6.883  -6.978
   70    HA   CYS   9           HA       CYS   9   6.306  -4.243  -7.442
   71   1HB   CYS   9          2HB       CYS   9   8.720  -3.948  -7.983
   72   2HB   CYS   9          1HB       CYS   9   8.555  -5.157  -9.236
   73    H    GLY  10           H        GLY  10   5.526  -4.052  -9.707
   74   1HA   GLY  10          2HA       GLY  10   3.971  -4.792 -11.308
   75   2HA   GLY  10          1HA       GLY  10   5.043  -6.176 -11.472
   76    H    GLY  11           H        GLY  11   3.494  -7.768 -11.696
   77   1HA   GLY  11          2HA       GLY  11   1.034  -8.010 -10.318
   78   2HA   GLY  11          1HA       GLY  11   1.920  -9.380 -10.992
   79    H    GLU  12           H        GLU  12   4.155  -9.405  -9.538
   80    HA   GLU  12           HA       GLU  12   3.581 -10.852  -7.223
   81   1HB   GLU  12          2HB       GLU  12   5.818 -10.856  -8.182
   82   2HB   GLU  12          1HB       GLU  12   5.983  -9.129  -7.978
   83   1HG   GLU  12          2HG       GLU  12   5.773  -9.647  -5.388
   84   2HG   GLU  12          1HG       GLU  12   6.098 -11.295  -5.875
   85    H    LEU  13           H        LEU  13   4.559  -7.473  -7.399
   86    HA   LEU  13           HA       LEU  13   4.239  -6.813  -4.706
   87   1HB   LEU  13          2HB       LEU  13   5.218  -5.198  -5.931
   88   2HB   LEU  13          1HB       LEU  13   4.207  -5.156  -7.307
   89    HG   LEU  13           HG       LEU  13   2.453  -4.071  -5.726
   90   1HD1  LEU  13          1HD1      LEU  13   5.002  -4.016  -4.119
   91   2HD1  LEU  13          3HD1      LEU  13   3.548  -3.157  -3.640
   92   3HD1  LEU  13          2HD1      LEU  13   3.576  -4.898  -3.659
   93   1HD2  LEU  13          3HD2      LEU  13   5.133  -2.662  -6.175
   94   2HD2  LEU  13          2HD2      LEU  13   3.836  -2.754  -7.357
   95   3HD2  LEU  13          1HD2      LEU  13   3.603  -1.869  -5.859
   96    H    VAL  14           H        VAL  14   1.703  -7.133  -7.137
   97    HA   VAL  14           HA       VAL  14  -0.404  -5.945  -5.608
   98    HB   VAL  14           HB       VAL  14  -0.670  -8.384  -7.467
   99   1HG1  VAL  14          2HG1      VAL  14  -2.740  -7.778  -6.201
  100   2HG1  VAL  14          1HG1      VAL  14  -2.595  -6.138  -6.817
  101   3HG1  VAL  14          3HG1      VAL  14  -2.939  -7.466  -7.916
  102   1HG2  VAL  14          3HG2      VAL  14  -0.659  -5.412  -8.202
  103   2HG2  VAL  14          2HG2      VAL  14   0.601  -6.552  -8.618
  104   3HG2  VAL  14          1HG2      VAL  14  -0.987  -6.725  -9.326
  105    H    ASP  15           H        ASP  15   1.066  -9.127  -5.466
  106    HA   ASP  15           HA       ASP  15  -0.858 -10.359  -3.731
  107   1HB   ASP  15          2HB       ASP  15   1.162 -11.583  -4.942
  108   2HB   ASP  15          1HB       ASP  15   2.101 -10.994  -3.602
  109    H    THR  16           H        THR  16   2.028  -8.462  -3.082
  110    HA   THR  16           HA       THR  16   2.294  -8.803  -0.312
  111    HB   THR  16           HB       THR  16   3.720  -7.259  -1.993
  112    HG1  THR  16           HG1      THR  16   4.635  -6.460  -0.121
  113   1HG2  THR  16          3HG2      THR  16   1.978  -5.190  -0.545
  114   2HG2  THR  16          2HG2      THR  16   3.394  -4.838  -1.520
  115   3HG2  THR  16          1HG2      THR  16   1.921  -5.414  -2.254
  116    H    LEU  17           H        LEU  17  -0.038  -6.776  -2.065
  117    HA   LEU  17           HA       LEU  17  -1.162  -5.798   0.466
  118   1HB   LEU  17          2HB       LEU  17  -2.417  -5.832  -2.196
  119   2HB   LEU  17          1HB       LEU  17  -2.787  -4.710  -0.901
  120    HG   LEU  17           HG       LEU  17  -0.029  -4.770  -2.232
  121   1HD1  LEU  17          2HD1      LEU  17  -2.016  -4.135  -3.714
  122   2HD1  LEU  17          1HD1      LEU  17  -2.192  -2.750  -2.625
  123   3HD1  LEU  17          3HD1      LEU  17  -0.688  -3.015  -3.541
  124   1HD2  LEU  17          2HD2      LEU  17  -1.640  -2.796  -0.581
  125   2HD2  LEU  17          1HD2      LEU  17  -0.335  -3.775   0.054
  126   3HD2  LEU  17          3HD2      LEU  17  -0.007  -2.555  -1.165
  127    H    GLN  18           H        GLN  18  -2.097  -7.955  -2.196
  128    HA   GLN  18           HA       GLN  18  -4.566  -8.820  -1.395
  129   1HB   GLN  18          2HB       GLN  18  -2.963  -9.784  -3.276
  130   2HB   GLN  18          1HB       GLN  18  -2.386 -10.885  -2.048
  131   1HG   GLN  18          2HG       GLN  18  -5.305 -10.694  -2.969
  132   2HG   GLN  18          1HG       GLN  18  -4.151 -11.915  -3.462
  133   1HE2  GLN  18          2HE2      GLN  18  -5.980 -12.334   0.116
  134   2HE2  GLN  18          1HE2      GLN  18  -6.228 -10.898  -0.752
  135    H    PHE  19           H        PHE  19  -1.543 -10.169  -0.065
  136    HA   PHE  19           HA       PHE  19  -2.986 -11.671   1.927
  137   1HB   PHE  19          2HB       PHE  19  -0.881 -12.336   2.740
  138   2HB   PHE  19          1HB       PHE  19  -0.427 -11.837   1.133
  139    HD1  PHE  19           HD2      PHE  19  -0.511 -10.692   4.679
  140    HD2  PHE  19           HD1      PHE  19   1.154 -10.105   0.812
  141    HE1  PHE  19           HE2      PHE  19   1.110  -9.119   5.625
  142    HE2  PHE  19           HE1      PHE  19   2.781  -8.516   1.772
  143    HZ   PHE  19           HZ       PHE  19   2.799  -8.058   4.120
  144    H    VAL  20           H        VAL  20  -1.421  -8.262   2.202
  145    HA   VAL  20           HA       VAL  20  -2.579  -8.189   4.843
  146    HB   VAL  20           HB       VAL  20  -0.476  -6.991   3.329
  147   1HG1  VAL  20          2HG1      VAL  20  -2.369  -4.887   4.290
  148   2HG1  VAL  20          1HG1      VAL  20  -0.705  -4.614   3.799
  149   3HG1  VAL  20          3HG1      VAL  20  -1.899  -5.106   2.613
  150   1HG2  VAL  20          2HG2      VAL  20  -1.467  -6.388   6.098
  151   2HG2  VAL  20          1HG2      VAL  20  -0.392  -7.688   5.648
  152   3HG2  VAL  20          3HG2      VAL  20   0.098  -6.022   5.384
  153    H    CYS  21           H        CYS  21  -3.293  -6.190   1.961
  154    HA   CYS  21           HA       CYS  21  -5.266  -4.608   2.880
  155   1HB   CYS  21          2HB       CYS  21  -4.664  -4.273   0.768
  156   2HB   CYS  21          1HB       CYS  21  -4.771  -5.933   0.327
  157    H    GLY  22           H        GLY  22  -6.191  -7.694   1.376
  158   1HA   GLY  22          2HA       GLY  22  -7.826  -9.102   2.637
  159   2HA   GLY  22          1HA       GLY  22  -8.623  -7.632   3.120
  160    H    ASP  23           H        ASP  23 -10.526  -7.802   2.394
  161    HA   ASP  23           HA       ASP  23 -11.262  -8.900  -0.224
  162   1HB   ASP  23          2HB       ASP  23 -13.556  -8.982   0.781
  163   2HB   ASP  23          1HB       ASP  23 -12.363  -9.802   1.777
  164    NH1  ARG  24           NH1      ARG  24 -13.091  -5.271   3.067
  165    NH2  ARG  24           NH2      ARG  24 -14.229  -3.326   2.682
  166    H    ARG  24           H        ARG  24 -10.343  -6.498  -1.201
  167    HA   ARG  24           HA       ARG  24 -12.806  -5.287  -2.091
  168   1HB   ARG  24          2HB       ARG  24 -12.130  -2.978  -1.213
  169   2HB   ARG  24          1HB       ARG  24 -12.823  -4.091  -0.079
  170   1HG   ARG  24          2HG       ARG  24  -9.814  -4.340  -0.194
  171   2HG   ARG  24          1HG       ARG  24 -10.350  -2.754   0.270
  172   1HD   ARG  24          2HD       ARG  24 -11.171  -5.388   1.540
  173   2HD   ARG  24          1HD       ARG  24 -10.123  -4.169   2.279
  174    HE   ARG  24           HE       ARG  24 -12.096  -2.573   1.837
  175   1HH1  ARG  24          2HH1      ARG  24 -12.231  -5.781   3.030
  176   2HH1  ARG  24          1HH1      ARG  24 -13.835  -5.814   3.475
  177   1HH2  ARG  24          1HH2      ARG  24 -14.204  -2.398   2.295
  178   2HH2  ARG  24          2HH2      ARG  24 -15.060  -3.671   3.115
  179    H    GLY  25           H        GLY  25  -9.360  -5.236  -1.731
  180   1HA   GLY  25          2HA       GLY  25  -8.071  -5.374  -3.843
  181   2HA   GLY  25          1HA       GLY  25  -9.189  -4.133  -4.432
  182    H    PHE  26           H        PHE  26  -6.909  -2.942  -4.681
  183    HA   PHE  26           HA       PHE  26  -6.386  -1.238  -2.283
  184   1HB   PHE  26          2HB       PHE  26  -3.848  -1.811  -3.077
  185   2HB   PHE  26          1HB       PHE  26  -4.616  -2.409  -1.622
  186    HD1  PHE  26           HD2      PHE  26  -4.329  -3.185  -5.282
  187    HD2  PHE  26           HD1      PHE  26  -4.977  -4.630  -1.373
  188    HE1  PHE  26           HE2      PHE  26  -4.361  -5.444  -6.131
  189    HE2  PHE  26           HE1      PHE  26  -5.008  -6.903  -2.152
  190    HZ   PHE  26           HZ       PHE  26  -4.689  -7.375  -4.586
  191    OH   TYR  27           OH       TYR  27 -10.433   2.527  -1.881
  192    H    TYR  27           H        TYR  27  -4.875   0.440  -2.927
  193    HA   TYR  27           HA       TYR  27  -4.143   0.853  -5.638
  194   1HB   TYR  27          2HB       TYR  27  -5.727   3.057  -5.788
  195   2HB   TYR  27          1HB       TYR  27  -6.321   1.489  -6.275
  196    HD1  TYR  27           HD2      TYR  27  -6.000   2.622  -2.675
  197    HD2  TYR  27           HD1      TYR  27  -8.589   1.820  -5.967
  198    HE1  TYR  27           HE2      TYR  27  -7.946   2.804  -1.207
  199    HE2  TYR  27           HE1      TYR  27 -10.523   2.011  -4.481
  200    HH   TYR  27           HH       TYR  27 -11.228   2.131  -2.254
  201    H    PHE  28           H        PHE  28  -3.311   3.164  -5.917
  202    HA   PHE  28           HA       PHE  28  -1.181   3.934  -4.388
  203   1HB   PHE  28          2HB       PHE  28  -2.340   4.920  -6.570
  204   2HB   PHE  28          1HB       PHE  28  -2.735   6.234  -5.494
  205    HD1  PHE  28           HD2      PHE  28   0.114   5.528  -3.928
  206    HD2  PHE  28           HD1      PHE  28  -1.039   6.559  -7.885
  207    HE1  PHE  28           HE2      PHE  28   2.340   6.404  -4.344
  208    HE2  PHE  28           HE1      PHE  28   1.202   7.458  -8.290
  209    HZ   PHE  28           HZ       PHE  28   2.898   7.379  -6.525
  210    H    SER  29           H        SER  29  -4.178   4.066  -3.177
  211    HA   SER  29           HA       SER  29  -5.330   4.987  -1.580
  212   1HB   SER  29          2HB       SER  29  -4.075   4.789   0.677
  213   2HB   SER  29          1HB       SER  29  -3.939   3.388  -0.404
  214    HG   SER  29           HG       SER  29  -2.082   5.222  -1.096
  215    NH1  ARG  30           NH1      ARG  30   2.210   9.523  -1.438
  216    NH2  ARG  30           NH2      ARG  30   2.597   9.991  -3.663
  217    H    ARG  30           H        ARG  30  -3.551   7.042  -2.922
  218    HA   ARG  30           HA       ARG  30  -3.343   9.187  -1.000
  219   1HB   ARG  30          2HB       ARG  30  -2.819   8.840  -3.986
  220   2HB   ARG  30          1HB       ARG  30  -2.664  10.423  -3.295
  221   1HG   ARG  30          2HG       ARG  30  -0.932   9.726  -1.785
  222   2HG   ARG  30          1HG       ARG  30  -1.257   8.026  -2.038
  223   1HD   ARG  30          2HD       ARG  30  -0.518   8.252  -4.396
  224   2HD   ARG  30          1HD       ARG  30  -0.094   9.942  -4.114
  225    HE   ARG  30           HE       ARG  30   1.184   7.544  -2.887
  226   1HH1  ARG  30          2HH1      ARG  30   1.659   8.977  -0.805
  227   2HH1  ARG  30          1HH1      ARG  30   2.898  10.145  -1.071
  228   1HH2  ARG  30          1HH2      ARG  30   2.335   9.781  -4.609
  229   2HH2  ARG  30          2HH2      ARG  30   3.313  10.662  -3.483
  230    HA   PRO  31           HA       PRO  31  -7.171  11.132  -2.462
  231   1HB   PRO  31          2HB       PRO  31  -6.520  13.819  -2.447
  232   2HB   PRO  31          1HB       PRO  31  -6.599  12.886  -0.958
  233   1HG   PRO  31          2HG       PRO  31  -4.113  13.457  -2.650
  234   2HG   PRO  31          1HG       PRO  31  -4.347  13.788  -0.929
  235   1HD   PRO  31          2HD       PRO  31  -3.130  11.528  -1.764
  236   2HD   PRO  31          1HD       PRO  31  -4.190  11.393  -0.372
  237    H    ALA  32           H        ALA  32  -6.658  13.567  -4.179
  238    HA   ALA  32           HA       ALA  32  -6.972  12.281  -6.718
  239   1HB   ALA  32          1HB       ALA  32  -7.836  14.577  -6.281
  240   2HB   ALA  32          3HB       ALA  32  -6.190  15.175  -6.131
  241   3HB   ALA  32          2HB       ALA  32  -6.776  14.604  -7.678
  242    H    SER  33           H        SER  33  -5.630  12.928  -8.658
  243    HA   SER  33           HA       SER  33  -2.708  12.646  -8.096
  244   1HB   SER  33          2HB       SER  33  -4.067  11.506 -10.600
  245   2HB   SER  33          1HB       SER  33  -2.567  10.973  -9.842
  246    HG   SER  33           HG       SER  33  -4.237  10.650  -7.927
  247    NH1  ARG  34           NH2      ARG  34  -0.396  14.782  -7.859
  248    NH2  ARG  34           NH1      ARG  34  -0.174  16.316  -6.186
  249    H    ARG  34           H        ARG  34  -2.101  13.105 -10.859
  250    HA   ARG  34           HA       ARG  34  -3.539  15.633 -11.504
  251   1HB   ARG  34          2HB       ARG  34  -0.534  15.484 -10.831
  252   2HB   ARG  34          1HB       ARG  34  -1.230  16.800 -11.747
  253   1HG   ARG  34          2HG       ARG  34  -2.816  17.353  -9.959
  254   2HG   ARG  34          1HG       ARG  34  -2.302  16.018  -8.978
  255   1HD   ARG  34          2HD       ARG  34  -0.459  18.300  -9.780
  256   2HD   ARG  34          1HD       ARG  34  -1.396  18.302  -8.296
  257    HE   ARG  34           HE       ARG  34   1.108  17.016  -8.599
  258   1HH1  ARG  34          1HH2      ARG  34  -0.357  14.620  -8.846
  259   2HH1  ARG  34          2HH2      ARG  34  -0.629  14.032  -7.241
  260   1HH2  ARG  34          2HH1      ARG  34   0.036  17.260  -5.932
  261   2HH2  ARG  34          1HH1      ARG  34  -0.408  15.667  -5.463
  262    H    VAL  35           H        VAL  35  -3.083  12.906 -12.698
  263    HA   VAL  35           HA       VAL  35  -2.439  13.839 -15.382
  264    HB   VAL  35           HB       VAL  35  -1.249  11.725 -13.579
  265   1HG1  VAL  35          1HG1      VAL  35  -1.540  11.229 -16.515
  266   2HG1  VAL  35          3HG1      VAL  35  -0.498  10.333 -15.387
  267   3HG1  VAL  35          2HG1      VAL  35  -2.243  10.309 -15.178
  268   1HG2  VAL  35          3HG2      VAL  35  -0.033  13.770 -14.261
  269   2HG2  VAL  35          2HG2      VAL  35   0.789  12.335 -14.844
  270   3HG2  VAL  35          1HG2      VAL  35  -0.173  13.311 -15.948
  271    H    SER  36           H        SER  36  -4.839  13.211 -13.630
  272    HA   SER  36           HA       SER  36  -6.933  12.214 -13.791
  273   1HB   SER  36          2HB       SER  36  -6.257  12.857 -16.657
  274   2HB   SER  36          1HB       SER  36  -7.845  12.388 -16.033
  275    HG   SER  36           HG       SER  36  -7.815  14.580 -15.666
  276    NH1  ARG  37           NH1      ARG  37  -7.502   8.665 -20.294
  277    NH2  ARG  37           NH2      ARG  37  -6.037  10.409 -20.602
  278    H    ARG  37           H        ARG  37  -4.674  10.316 -14.409
  279    HA   ARG  37           HA       ARG  37  -6.252   8.104 -15.643
  280   1HB   ARG  37          2HB       ARG  37  -3.474   8.948 -15.933
  281   2HB   ARG  37          1HB       ARG  37  -3.500   7.269 -15.507
  282   1HG   ARG  37          2HG       ARG  37  -3.523   7.566 -17.920
  283   2HG   ARG  37          1HG       ARG  37  -5.069   6.876 -17.460
  284   1HD   ARG  37          2HD       ARG  37  -6.096   9.186 -17.555
  285   2HD   ARG  37          1HD       ARG  37  -4.528   9.845 -18.003
  286    HE   ARG  37           HE       ARG  37  -4.901   7.889 -19.910
  287   1HH1  ARG  37          2HH1      ARG  37  -7.658   7.765 -19.891
  288   2HH1  ARG  37          1HH1      ARG  37  -8.244   9.099 -20.806
  289   1HH2  ARG  37          1HH2      ARG  37  -5.116  10.765 -20.435
  290   2HH2  ARG  37          2HH2      ARG  37  -6.682  10.972 -21.117
  291    NH1  ARG  38           NH1      ARG  38  -8.716   0.804 -16.717
  292    NH2  ARG  38           NH2      ARG  38  -7.180  -0.087 -15.264
  293    H    ARG  38           H        ARG  38  -5.106   5.974 -15.170
  294    HA   ARG  38           HA       ARG  38  -5.752   5.171 -12.397
  295   1HB   ARG  38          2HB       ARG  38  -5.202   3.522 -14.892
  296   2HB   ARG  38          1HB       ARG  38  -5.976   2.958 -13.418
  297   1HG   ARG  38          2HG       ARG  38  -7.923   4.368 -13.768
  298   2HG   ARG  38          1HG       ARG  38  -7.161   5.231 -15.080
  299   1HD   ARG  38          2HD       ARG  38  -8.654   3.665 -16.050
  300   2HD   ARG  38          1HD       ARG  38  -7.022   3.113 -16.394
  301    HE   ARG  38           HE       ARG  38  -8.325   1.922 -13.995
  302   1HH1  ARG  38          2HH1      ARG  38  -9.320   1.570 -16.932
  303   2HH1  ARG  38          1HH1      ARG  38  -8.703   0.020 -17.334
  304   1HH2  ARG  38          1HH2      ARG  38  -6.635   0.006 -14.431
  305   2HH2  ARG  38          2HH2      ARG  38  -7.092  -0.935 -15.790
  306    H    SER  39           H        SER  39  -3.979   2.819 -13.274
  307    HA   SER  39           HA       SER  39  -1.796   2.002 -12.878
  308   1HB   SER  39          2HB       SER  39  -1.274   4.032 -14.470
  309   2HB   SER  39          1HB       SER  39  -0.776   4.878 -13.003
  310    HG   SER  39           HG       SER  39   0.961   3.730 -13.048
  311    NH1  ARG  40           NH1      ARG  40  -7.645   5.927  -8.847
  312    NH2  ARG  40           NH2      ARG  40  -7.332   7.126 -10.809
  313    H    ARG  40           H        ARG  40  -3.385   4.093 -10.733
  314    HA   ARG  40           HA       ARG  40  -1.527   4.475  -8.680
  315   1HB   ARG  40          2HB       ARG  40  -4.465   4.327  -9.157
  316   2HB   ARG  40          1HB       ARG  40  -3.911   4.837  -7.669
  317   1HG   ARG  40          2HG       ARG  40  -3.172   6.953  -8.432
  318   2HG   ARG  40          1HG       ARG  40  -2.519   6.278  -9.895
  319   1HD   ARG  40          2HD       ARG  40  -4.259   7.829 -10.476
  320   2HD   ARG  40          1HD       ARG  40  -4.790   6.226 -10.899
  321    HE   ARG  40           HE       ARG  40  -5.671   7.509  -8.336
  322   1HH1  ARG  40          2HH1      ARG  40  -7.258   5.615  -7.973
  323   2HH1  ARG  40          1HH1      ARG  40  -8.571   5.624  -9.075
  324   1HH2  ARG  40          1HH2      ARG  40  -6.713   7.711 -11.349
  325   2HH2  ARG  40          2HH2      ARG  40  -8.221   6.897 -11.203
  326    H    GLY  41           H        GLY  41  -0.980   3.398  -7.162
  327   1HA   GLY  41          2HA       GLY  41  -1.988   1.308  -5.653
  328   2HA   GLY  41          1HA       GLY  41  -1.123   0.514  -6.972
  329    H    ILE  42           H        ILE  42   0.349  -0.054  -4.877
  330    HA   ILE  42           HA       ILE  42   1.821   1.838  -3.454
  331    HB   ILE  42           HB       ILE  42   3.504  -0.544  -4.017
  332   1HG1  ILE  42          2HG1      ILE  42   1.274  -1.638  -4.584
  333   2HG1  ILE  42          1HG1      ILE  42   1.939  -2.213  -3.073
  334   1HG2  ILE  42          1HG2      ILE  42   2.065   0.633  -1.649
  335   2HG2  ILE  42          3HG2      ILE  42   3.191  -0.734  -1.586
  336   3HG2  ILE  42          2HG2      ILE  42   3.732   0.857  -2.089
  337   1HD1  ILE  42          3HD1      ILE  42   0.182   0.155  -3.103
  338   2HD1  ILE  42          2HD1      ILE  42  -0.501  -1.369  -2.874
  339   3HD1  ILE  42          1HD1      ILE  42   0.689  -0.755  -1.754
  340    H    VAL  43           H        VAL  43   2.826  -0.147  -5.787
  341    HA   VAL  43           HA       VAL  43   4.784  -0.213  -7.271
  342    HB   VAL  43           HB       VAL  43   4.323   1.497  -9.166
  343   1HG1  VAL  43          2HG1      VAL  43   2.212  -0.464  -8.195
  344   2HG1  VAL  43          1HG1      VAL  43   2.358   0.108  -9.856
  345   3HG1  VAL  43          3HG1      VAL  43   3.640  -0.864  -9.141
  346   1HG2  VAL  43          2HG2      VAL  43   2.852   3.147  -7.785
  347   2HG2  VAL  43          1HG2      VAL  43   2.057   2.498  -9.200
  348   3HG2  VAL  43          3HG2      VAL  43   1.705   1.848  -7.620
  349    H    GLU  44           H        GLU  44   4.568   3.408  -7.451
  350    HA   GLU  44           HA       GLU  44   7.358   3.626  -7.405
  351   1HB   GLU  44          2HB       GLU  44   5.159   5.494  -6.547
  352   2HB   GLU  44          1HB       GLU  44   6.838   6.008  -6.445
  353   1HG   GLU  44          2HG       GLU  44   7.185   5.534  -8.801
  354   2HG   GLU  44          1HG       GLU  44   5.660   4.697  -8.921
  355    H    GLU  45           H        GLU  45   5.147   3.073  -4.886
  356    HA   GLU  45           HA       GLU  45   7.015   3.528  -2.692
  357   1HB   GLU  45          2HB       GLU  45   4.170   2.572  -2.948
  358   2HB   GLU  45          1HB       GLU  45   5.011   2.535  -1.391
  359   1HG   GLU  45          2HG       GLU  45   5.460   4.878  -1.595
  360   2HG   GLU  45          1HG       GLU  45   4.871   4.958  -3.240
  361    H    CYS  46           H        CYS  46   5.264   0.408  -3.500
  362    HA   CYS  46           HA       CYS  46   7.534  -0.915  -2.094
  363   1HB   CYS  46          2HB       CYS  46   5.203  -1.741  -1.852
  364   2HB   CYS  46          1HB       CYS  46   5.217  -2.065  -3.568
  365    H    CYS  47           H        CYS  47   6.608  -0.282  -5.393
  366    HA   CYS  47           HA       CYS  47   8.393  -2.294  -6.507
  367   1HB   CYS  47          2HB       CYS  47   7.134   0.100  -7.957
  368   2HB   CYS  47          1HB       CYS  47   8.336  -0.913  -8.623
  369    H    PHE  48           H        PHE  48   8.485   1.506  -6.145
  370    HA   PHE  48           HA       PHE  48  11.321   1.375  -6.700
  371   1HB   PHE  48          2HB       PHE  48   9.080   3.276  -6.667
  372   2HB   PHE  48          1HB       PHE  48  10.612   3.911  -6.521
  373    HD1  PHE  48           HD2      PHE  48   8.225   1.944  -8.528
  374    HD2  PHE  48           HD1      PHE  48  11.977   3.958  -8.674
  375    HE1  PHE  48           HE2      PHE  48   8.198   1.780 -10.941
  376    HE2  PHE  48           HE1      PHE  48  11.953   3.799 -11.108
  377    HZ   PHE  48           HZ       PHE  48  10.073   2.704 -12.273
  378    NH1  ARG  49           NH1      ARG  49  11.095   8.648  -3.544
  379    NH2  ARG  49           NH2      ARG  49  10.918   8.998  -1.271
  380    H    ARG  49           H        ARG  49   9.191   2.444  -3.901
  381    HA   ARG  49           HA       ARG  49  11.670   3.040  -2.342
  382   1HB   ARG  49          2HB       ARG  49   8.767   3.023  -1.324
  383   2HB   ARG  49          1HB       ARG  49  10.139   3.735  -0.541
  384   1HG   ARG  49          2HG       ARG  49   9.233   4.760  -3.231
  385   2HG   ARG  49          1HG       ARG  49   8.438   5.263  -1.757
  386   1HD   ARG  49          2HD       ARG  49  10.854   5.939  -0.935
  387   2HD   ARG  49          1HD       ARG  49  11.326   5.742  -2.626
  388    HE   ARG  49           HE       ARG  49   8.934   7.346  -2.448
  389   1HH1  ARG  49          2HH1      ARG  49  10.811   8.057  -4.302
  390   2HH1  ARG  49          1HH1      ARG  49  11.691   9.430  -3.723
  391   1HH2  ARG  49          1HH2      ARG  49  10.535   8.668  -0.406
  392   2HH2  ARG  49          2HH2      ARG  49  11.487   9.819  -1.265
  393    H    SER  50           H        SER  50  10.255   1.986   0.126
  394    HA   SER  50           HA       SER  50  11.000  -0.856  -0.190
  395   1HB   SER  50          2HB       SER  50  10.991  -0.548   2.466
  396   2HB   SER  50          1HB       SER  50  12.319   0.190   1.552
  397    HG   SER  50           HG       SER  50  10.377   1.323   2.980
  398    H    CYS  51           H        CYS  51   9.641  -2.441   1.053
  399    HA   CYS  51           HA       CYS  51   6.779  -1.669   0.777
  400   1HB   CYS  51          2HB       CYS  51   8.211  -3.866  -0.130
  401   2HB   CYS  51          1HB       CYS  51   7.451  -4.467   1.304
  402    H    ASP  52           H        ASP  52   7.825  -0.547   3.018
  403    HA   ASP  52           HA       ASP  52   7.828  -2.046   5.406
  404   1HB   ASP  52          2HB       ASP  52   6.664   0.746   5.026
  405   2HB   ASP  52          1HB       ASP  52   7.143   0.028   6.554
  406    H    LEU  53           H        LEU  53   6.346  -3.501   5.586
  407    HA   LEU  53           HA       LEU  53   3.942  -4.233   4.864
  408   1HB   LEU  53          2HB       LEU  53   5.271  -4.984   6.931
  409   2HB   LEU  53          1HB       LEU  53   4.270  -3.900   7.850
  410    HG   LEU  53           HG       LEU  53   3.252  -5.958   8.071
  411   1HD1  LEU  53          2HD1      LEU  53   1.498  -4.333   7.473
  412   2HD1  LEU  53          1HD1      LEU  53   1.649  -4.791   5.782
  413   3HD1  LEU  53          3HD1      LEU  53   1.102  -5.953   6.984
  414   1HD2  LEU  53          2HD2      LEU  53   4.390  -7.224   6.175
  415   2HD2  LEU  53          1HD2      LEU  53   2.651  -7.472   6.121
  416   3HD2  LEU  53          3HD2      LEU  53   3.406  -6.333   5.025
  417    H    ALA  54           H        ALA  54   3.950  -1.992   7.503
  418    HA   ALA  54           HA       ALA  54   1.371  -1.190   7.836
  419   1HB   ALA  54          1HB       ALA  54   3.247  -0.193   9.108
  420   2HB   ALA  54          3HB       ALA  54   3.736   0.725   7.688
  421   3HB   ALA  54          2HB       ALA  54   2.211   1.076   8.482
  422    H    LEU  55           H        LEU  55   3.350   0.062   5.125
  423    HA   LEU  55           HA       LEU  55   1.569   1.950   4.111
  424   1HB   LEU  55          2HB       LEU  55   4.002   0.407   3.399
  425   2HB   LEU  55          1HB       LEU  55   3.058   0.775   2.056
  426    HG   LEU  55           HG       LEU  55   3.944   2.845   4.122
  427   1HD1  LEU  55          2HD1      LEU  55   5.330   2.033   1.488
  428   2HD1  LEU  55          1HD1      LEU  55   5.865   3.344   2.522
  429   3HD1  LEU  55          3HD1      LEU  55   5.953   1.688   3.084
  430   1HD2  LEU  55          1HD2      LEU  55   3.100   3.128   1.219
  431   2HD2  LEU  55          3HD2      LEU  55   2.110   3.564   2.599
  432   3HD2  LEU  55          2HD2      LEU  55   3.580   4.460   2.253
  433    H    LEU  56           H        LEU  56   2.273  -1.334   3.125
  434    HA   LEU  56           HA       LEU  56   0.190  -1.829   1.290
  435   1HB   LEU  56          2HB       LEU  56   1.324  -3.664   3.330
  436   2HB   LEU  56          1HB       LEU  56   0.539  -4.203   1.880
  437    HG   LEU  56           HG       LEU  56   2.647  -4.316   1.001
  438   1HD1  LEU  56          3HD1      LEU  56   2.380  -1.304   0.769
  439   2HD1  LEU  56          2HD1      LEU  56   3.515  -2.298  -0.119
  440   3HD1  LEU  56          1HD1      LEU  56   1.790  -2.510  -0.358
  441   1HD2  LEU  56          2HD2      LEU  56   3.769  -2.342   2.998
  442   2HD2  LEU  56          1HD2      LEU  56   3.916  -4.097   2.963
  443   3HD2  LEU  56          3HD2      LEU  56   4.679  -3.144   1.743
  444    H    GLU  57           H        GLU  57   0.167  -2.110   4.867
  445    HA   GLU  57           HA       GLU  57  -2.400  -3.196   5.066
  446   1HB   GLU  57          2HB       GLU  57  -1.159  -1.090   6.897
  447   2HB   GLU  57          1HB       GLU  57  -2.542  -2.095   7.263
  448   1HG   GLU  57          2HG       GLU  57  -0.143  -3.554   6.238
  449   2HG   GLU  57          1HG       GLU  57  -0.002  -2.871   7.830
  450    H    THR  58           H        THR  58  -1.523   0.209   5.140
  451    HA   THR  58           HA       THR  58  -4.264   1.134   4.874
  452    HB   THR  58           HB       THR  58  -2.607   2.486   6.119
  453    HG1  THR  58           HG1      THR  58  -3.637   3.561   3.728
  454   1HG2  THR  58          3HG2      THR  58  -1.150   2.761   3.447
  455   2HG2  THR  58          2HG2      THR  58  -0.713   3.612   4.922
  456   3HG2  THR  58          1HG2      THR  58  -0.552   1.876   4.823
  457    OH   TYR  59           OH       TYR  59   0.557   4.027  -2.533
  458    H    TYR  59           H        TYR  59  -2.502  -0.390   2.577
  459    HA   TYR  59           HA       TYR  59  -3.216   1.454   0.362
  460   1HB   TYR  59          2HB       TYR  59  -1.341  -0.693   0.795
  461   2HB   TYR  59          1HB       TYR  59  -2.273  -0.956  -0.691
  462    HD1  TYR  59           HD2      TYR  59  -0.232   1.574   1.149
  463    HD2  TYR  59           HD1      TYR  59  -2.162   0.483  -2.464
  464    HE1  TYR  59           HE2      TYR  59   0.852   3.438   0.008
  465    HE2  TYR  59           HE1      TYR  59  -1.079   2.298  -3.581
  466    HH   TYR  59           HH       TYR  59   1.314   4.345  -2.014
  467    H    CYS  60           H        CYS  60  -4.599  -1.136   1.890
  468    HA   CYS  60           HA       CYS  60  -6.110  -2.317  -0.165
  469   1HB   CYS  60          2HB       CYS  60  -5.889  -2.847   2.369
  470   2HB   CYS  60          1HB       CYS  60  -7.223  -1.767   2.572
  471    H    ALA  61           H        ALA  61  -8.408  -2.105  -0.454
  472    HA   ALA  61           HA       ALA  61  -9.115   0.735  -0.927
  473   1HB   ALA  61          2HB       ALA  61 -10.497  -1.858  -1.771
  474   2HB   ALA  61          1HB       ALA  61 -11.008  -0.258  -2.267
  475   3HB   ALA  61          3HB       ALA  61  -9.446  -0.889  -2.772
  476    H    THR  62           H        THR  62  -9.216  -0.975   1.646
  477    HA   THR  62           HA       THR  62 -10.607  -1.420   3.462
  478    HB   THR  62           HB       THR  62  -9.615   0.420   4.307
  479    HG1  THR  62           HG1      THR  62 -11.550   2.292   3.827
  480   1HG2  THR  62          1HG2      THR  62 -10.316   2.061   1.862
  481   2HG2  THR  62          3HG2      THR  62  -9.306   2.608   3.204
  482   3HG2  THR  62          2HG2      THR  62  -8.791   1.281   2.192
  483    HA   PRO  63           HA       PRO  63 -15.163  -0.484   2.724
  484   1HB   PRO  63          2HB       PRO  63 -16.004   0.944   4.838
  485   2HB   PRO  63          1HB       PRO  63 -15.834  -0.822   4.870
  486   1HG   PRO  63          2HG       PRO  63 -13.808   1.289   5.816
  487   2HG   PRO  63          1HG       PRO  63 -14.400  -0.094   6.745
  488   1HD   PRO  63          2HD       PRO  63 -12.041  -0.268   5.419
  489   2HD   PRO  63          1HD       PRO  63 -13.142  -1.650   5.383
  490    H    ALA  64           H        ALA  64 -13.542   0.819   1.282
  491    HA   ALA  64           HA       ALA  64 -14.456   3.674   1.445
  492   1HB   ALA  64          2HB       ALA  64 -12.004   3.512   1.972
  493   2HB   ALA  64          1HB       ALA  64 -11.736   2.668   0.453
  494   3HB   ALA  64          3HB       ALA  64 -12.259   4.332   0.442
  495    H    LYS  65           H        LYS  65 -15.476   1.280  -0.135
  496    HA   LYS  65           HA       LYS  65 -14.930   1.943  -2.846
  497   1HB   LYS  65          2HB       LYS  65 -15.522  -0.300  -1.710
  498   2HB   LYS  65          1HB       LYS  65 -17.177   0.309  -1.697
  499   1HG   LYS  65          2HG       LYS  65 -16.827   0.813  -4.172
  500   2HG   LYS  65          1HG       LYS  65 -15.303  -0.055  -4.020
  501   1HD   LYS  65          2HD       LYS  65 -16.839  -1.686  -4.793
  502   2HD   LYS  65          1HD       LYS  65 -16.652  -1.990  -3.064
  503   1HE   LYS  65          2HE       LYS  65 -18.731  -0.707  -2.572
  504   2HE   LYS  65          1HE       LYS  65 -18.907  -0.302  -4.265
  505   1HZ   LYS  65          2HZ       LYS  65 -18.735  -3.111  -4.115
  506   2HZ   LYS  65          1HZ       LYS  65 -19.788  -2.594  -2.892
  507   3HZ   LYS  65          3HZ       LYS  65 -20.078  -2.154  -4.506
  508    H    SER  66           H        SER  66 -15.586   4.318  -2.225
  509    HA   SER  66           HA       SER  66 -18.532   4.739  -2.501
  510   1HB   SER  66          2HB       SER  66 -16.830   6.331  -1.111
  511   2HB   SER  66          1HB       SER  66 -16.562   7.049  -2.721
  512    HG   SER  66           HG       SER  66 -18.593   7.746  -2.737
  513    H    GLU  67           HN       GLU  67 -19.144   6.256  -4.283
  514    HA   GLU  67           HA       GLU  67 -19.498   6.533  -6.538
  515   1HB   GLU  67          2HB       GLU  67 -16.470   6.667  -6.751
  516   2HB   GLU  67          1HB       GLU  67 -17.652   7.579  -7.671
  517   1HG   GLU  67          2HG       GLU  67 -16.893   7.994  -4.738
  518   2HG   GLU  67          1HG       GLU  67 -16.769   9.148  -6.039
   
  Start of MODEL          19
 Raw file had  518 H/Q atoms
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1   8.976  -1.187  15.516
    2   2H    ALA   1          3H        ALA   1   9.449   0.376  15.044
    3   3H    ALA   1          2H        ALA   1   7.950   0.129  15.816
    4    HA   ALA   1           HA       ALA   1   6.940  -0.289  13.888
    5   1HB   ALA   1          3HB       ALA   1   8.678   1.331  12.892
    6   2HB   ALA   1          2HB       ALA   1   9.743  -0.036  12.600
    7   3HB   ALA   1          1HB       ALA   1   8.219   0.094  11.747
    8    OH   TYR   2           OH       TYR   2   2.515  -2.338  14.735
    9    H    TYR   2           H        TYR   2   7.701  -1.860  11.662
   10    HA   TYR   2           HA       TYR   2   8.408  -4.478  12.931
   11   1HB   TYR   2          2HB       TYR   2   6.581  -4.150  10.497
   12   2HB   TYR   2          1HB       TYR   2   6.693  -5.534  11.566
   13    HD1  TYR   2           HD1      TYR   2   6.361  -4.648  14.252
   14    HD2  TYR   2           HD2      TYR   2   4.553  -3.018  10.752
   15    HE1  TYR   2           HE1      TYR   2   4.537  -3.725  15.602
   16    HE2  TYR   2           HE2      TYR   2   2.748  -2.100  12.111
   17    HH   TYR   2           HH       TYR   2   1.761  -2.154  14.167
   18    NH1  ARG   3           NH2      ARG   3  11.755 -11.449  11.596
   19    NH2  ARG   3           NH1      ARG   3  11.931 -11.902   9.361
   20    H    ARG   3           H        ARG   3   8.837  -6.008  10.771
   21    HA   ARG   3           HA       ARG   3  11.294  -4.871   9.682
   22   1HB   ARG   3          2HB       ARG   3   9.842  -7.515   9.142
   23   2HB   ARG   3          1HB       ARG   3  11.365  -7.124   8.380
   24   1HG   ARG   3          2HG       ARG   3  12.244  -6.680  10.826
   25   2HG   ARG   3          1HG       ARG   3  10.823  -7.555  11.347
   26   1HD   ARG   3          2HD       ARG   3  12.891  -8.684   9.391
   27   2HD   ARG   3          1HD       ARG   3  12.916  -8.987  11.114
   28    HE   ARG   3           HE       ARG   3  10.378  -9.688   9.761
   29   1HH1  ARG   3          1HH2      ARG   3  11.535 -10.784  12.309
   30   2HH1  ARG   3          2HH2      ARG   3  12.037 -12.365  11.868
   31   1HH2  ARG   3          2HH1      ARG   3  11.837 -11.566   8.421
   32   2HH2  ARG   3          1HH1      ARG   3  12.228 -12.848   9.503
   33    HA   PRO   4           HA       PRO   4   9.558  -3.082   6.106
   34   1HB   PRO   4          2HB       PRO   4  11.596  -2.954   4.368
   35   2HB   PRO   4          1HB       PRO   4  11.709  -2.148   5.937
   36   1HG   PRO   4          2HG       PRO   4  12.726  -4.951   5.186
   37   2HG   PRO   4          1HG       PRO   4  13.664  -3.642   5.912
   38   1HD   PRO   4          2HD       PRO   4  12.531  -5.569   7.483
   39   2HD   PRO   4          1HD       PRO   4  12.579  -3.877   8.041
   40    H    SER   5           H        SER   5   8.528  -5.498   6.226
   41    HA   SER   5           HA       SER   5   7.736  -7.402   5.096
   42   1HB   SER   5          2HB       SER   5   6.327  -5.344   4.456
   43   2HB   SER   5          1HB       SER   5   7.343  -5.159   3.044
   44    HG   SER   5           HG       SER   5   6.245  -7.718   3.349
   45    H    GLU   6           H        GLU   6   7.840  -6.856   2.042
   46    HA   GLU   6           HA       GLU   6  10.500  -7.918   1.333
   47   1HB   GLU   6          2HB       GLU   6   9.006  -9.305  -0.423
   48   2HB   GLU   6          1HB       GLU   6   9.273  -9.928   1.195
   49   1HG   GLU   6          2HG       GLU   6   6.894  -8.155   0.539
   50   2HG   GLU   6          1HG       GLU   6   6.843  -9.864   0.166
   51    H    THR   7           H        THR   7  11.227  -6.772  -0.392
   52    HA   THR   7           HA       THR   7   9.469  -4.648  -1.523
   53    HB   THR   7           HB       THR   7  11.543  -3.590  -2.331
   54    HG1  THR   7           HG1      THR   7  12.495  -5.552  -2.912
   55   1HG2  THR   7          3HG2      THR   7  11.033  -3.485   0.182
   56   2HG2  THR   7          2HG2      THR   7  12.033  -4.915   0.400
   57   3HG2  THR   7          1HG2      THR   7  12.762  -3.422  -0.167
   58    H    LEU   8           H        LEU   8   8.484  -6.603  -2.385
   59    HA   LEU   8           HA       LEU   8   9.553  -7.711  -4.877
   60   1HB   LEU   8          2HB       LEU   8   7.479  -8.883  -4.969
   61   2HB   LEU   8          1HB       LEU   8   7.874  -8.810  -3.283
   62    HG   LEU   8           HG       LEU   8   5.880  -7.060  -4.761
   63   1HD1  LEU   8          3HD1      LEU   8   5.139  -9.341  -4.286
   64   2HD1  LEU   8          2HD1      LEU   8   5.544  -9.141  -2.584
   65   3HD1  LEU   8          1HD1      LEU   8   4.253  -8.215  -3.299
   66   1HD2  LEU   8          2HD2      LEU   8   6.566  -6.965  -1.784
   67   2HD2  LEU   8          1HD2      LEU   8   6.899  -5.675  -2.943
   68   3HD2  LEU   8          3HD2      LEU   8   5.262  -6.092  -2.551
   69    H    CYS   9           H        CYS   9   7.768  -7.359  -6.900
   70    HA   CYS   9           HA       CYS   9   7.014  -4.486  -6.989
   71   1HB   CYS   9          2HB       CYS   9   9.316  -4.444  -7.757
   72   2HB   CYS   9          1HB       CYS   9   8.992  -5.678  -8.948
   73    H    GLY  10           H        GLY  10   6.081  -3.888  -8.976
   74   1HA   GLY  10          2HA       GLY  10   4.158  -3.995 -10.351
   75   2HA   GLY  10          1HA       GLY  10   5.060  -5.295 -11.104
   76    H    GLY  11           H        GLY  11   3.951  -7.096 -11.322
   77   1HA   GLY  11          2HA       GLY  11   1.360  -7.590 -10.344
   78   2HA   GLY  11          1HA       GLY  11   2.451  -8.869 -10.871
   79    H    GLU  12           H        GLU  12   4.414  -8.828  -9.116
   80    HA   GLU  12           HA       GLU  12   3.399 -10.239  -6.888
   81   1HB   GLU  12          2HB       GLU  12   5.972  -9.487  -7.933
   82   2HB   GLU  12          1HB       GLU  12   5.942  -8.904  -6.294
   83   1HG   GLU  12          2HG       GLU  12   5.339 -11.185  -5.487
   84   2HG   GLU  12          1HG       GLU  12   5.298 -11.744  -7.147
   85    H    LEU  13           H        LEU  13   4.545  -6.965  -7.164
   86    HA   LEU  13           HA       LEU  13   4.063  -6.107  -4.499
   87   1HB   LEU  13          2HB       LEU  13   5.419  -4.879  -5.855
   88   2HB   LEU  13          1HB       LEU  13   4.304  -4.719  -7.185
   89    HG   LEU  13           HG       LEU  13   3.746  -3.427  -4.500
   90   1HD1  LEU  13          1HD1      LEU  13   5.297  -2.320  -6.886
   91   2HD1  LEU  13          3HD1      LEU  13   4.827  -1.412  -5.468
   92   3HD1  LEU  13          2HD1      LEU  13   5.974  -2.734  -5.306
   93   1HD2  LEU  13          1HD2      LEU  13   3.075  -2.828  -7.372
   94   2HD2  LEU  13          3HD2      LEU  13   1.976  -3.562  -6.218
   95   3HD2  LEU  13          2HD2      LEU  13   2.522  -1.914  -5.960
   96    H    VAL  14           H        VAL  14   1.743  -6.085  -7.259
   97    HA   VAL  14           HA       VAL  14  -0.277  -4.875  -5.512
   98    HB   VAL  14           HB       VAL  14  -0.606  -4.712  -7.965
   99   1HG1  VAL  14          2HG1      VAL  14  -0.803  -7.736  -8.065
  100   2HG1  VAL  14          1HG1      VAL  14  -1.171  -6.633  -9.383
  101   3HG1  VAL  14          3HG1      VAL  14   0.450  -6.706  -8.744
  102   1HG2  VAL  14          2HG2      VAL  14  -2.587  -4.762  -6.580
  103   2HG2  VAL  14          1HG2      VAL  14  -2.958  -5.518  -8.122
  104   3HG2  VAL  14          3HG2      VAL  14  -2.692  -6.513  -6.701
  105    H    ASP  15           H        ASP  15   0.707  -8.220  -6.380
  106    HA   ASP  15           HA       ASP  15  -1.332  -9.574  -4.942
  107   1HB   ASP  15          2HB       ASP  15   1.606 -10.379  -5.260
  108   2HB   ASP  15          1HB       ASP  15   0.388 -11.444  -4.649
  109    H    THR  16           H        THR  16   1.575  -7.961  -3.904
  110    HA   THR  16           HA       THR  16   1.840  -8.794  -1.240
  111    HB   THR  16           HB       THR  16   3.030  -6.810  -2.852
  112    HG1  THR  16           HG1      THR  16   4.133  -6.483  -0.670
  113   1HG2  THR  16          2HG2      THR  16   1.983  -5.475  -0.345
  114   2HG2  THR  16          1HG2      THR  16   3.185  -4.820  -1.464
  115   3HG2  THR  16          3HG2      THR  16   1.554  -5.024  -1.989
  116    H    LEU  17           H        LEU  17  -0.134  -6.090  -2.412
  117    HA   LEU  17           HA       LEU  17  -1.290  -5.520   0.175
  118   1HB   LEU  17          2HB       LEU  17  -2.479  -5.176  -2.475
  119   2HB   LEU  17          1HB       LEU  17  -2.903  -4.222  -1.068
  120    HG   LEU  17           HG       LEU  17  -0.080  -4.176  -2.224
  121   1HD1  LEU  17          2HD1      LEU  17  -1.617  -3.153  -3.795
  122   2HD1  LEU  17          1HD1      LEU  17  -2.119  -2.034  -2.510
  123   3HD1  LEU  17          3HD1      LEU  17  -0.440  -2.111  -3.031
  124   1HD2  LEU  17          2HD2      LEU  17  -1.582  -2.395  -0.253
  125   2HD2  LEU  17          1HD2      LEU  17  -0.401  -3.606   0.203
  126   3HD2  LEU  17          3HD2      LEU  17   0.091  -2.215  -0.733
  127    H    GLN  18           H        GLN  18  -1.769  -7.944  -2.133
  128    HA   GLN  18           HA       GLN  18  -4.505  -8.466  -1.331
  129   1HB   GLN  18          2HB       GLN  18  -2.936  -9.226  -3.515
  130   2HB   GLN  18          1HB       GLN  18  -2.621 -10.629  -2.534
  131   1HG   GLN  18          2HG       GLN  18  -5.318  -9.719  -3.631
  132   2HG   GLN  18          1HG       GLN  18  -4.394 -11.143  -4.069
  133   1HE2  GLN  18          2HE2      GLN  18  -6.629 -11.215  -0.692
  134   2HE2  GLN  18          1HE2      GLN  18  -6.341  -9.726  -1.487
  135    H    PHE  19           H        PHE  19  -1.284  -9.299  -0.231
  136    HA   PHE  19           HA       PHE  19  -2.339 -11.327   1.600
  137   1HB   PHE  19          2HB       PHE  19  -0.136 -11.467   2.604
  138   2HB   PHE  19          1HB       PHE  19   0.170 -11.220   0.905
  139    HD1  PHE  19           HD2      PHE  19  -0.270  -8.960   3.913
  140    HD2  PHE  19           HD1      PHE  19   2.073  -9.937   0.501
  141    HE1  PHE  19           HE2      PHE  19   1.236  -7.129   4.432
  142    HE2  PHE  19           HE1      PHE  19   3.590  -8.105   1.062
  143    HZ   PHE  19           HZ       PHE  19   3.215  -6.710   3.011
  144    H    VAL  20           H        VAL  20  -1.496  -7.753   1.875
  145    HA   VAL  20           HA       VAL  20  -2.656  -7.928   4.564
  146    HB   VAL  20           HB       VAL  20  -0.625  -6.419   3.196
  147   1HG1  VAL  20          2HG1      VAL  20  -2.719  -4.596   4.378
  148   2HG1  VAL  20          1HG1      VAL  20  -1.086  -4.143   3.920
  149   3HG1  VAL  20          3HG1      VAL  20  -2.241  -4.589   2.693
  150   1HG2  VAL  20          3HG2      VAL  20  -0.642  -7.431   5.478
  151   2HG2  VAL  20          2HG2      VAL  20  -0.147  -5.770   5.389
  152   3HG2  VAL  20          1HG2      VAL  20  -1.753  -6.169   6.002
  153    H    CYS  21           H        CYS  21  -3.270  -5.855   1.731
  154    HA   CYS  21           HA       CYS  21  -5.883  -5.184   2.875
  155   1HB   CYS  21          2HB       CYS  21  -4.105  -4.300   0.729
  156   2HB   CYS  21          1HB       CYS  21  -5.826  -3.962   0.649
  157    H    GLY  22           H        GLY  22  -5.222  -7.795   1.859
  158   1HA   GLY  22          2HA       GLY  22  -6.938  -8.286  -0.433
  159   2HA   GLY  22          1HA       GLY  22  -6.311  -9.543   0.679
  160    H    ASP  23           H        ASP  23  -8.512 -10.415   0.504
  161    HA   ASP  23           HA       ASP  23 -10.693 -10.731   1.176
  162   1HB   ASP  23          2HB       ASP  23  -9.492  -9.542   3.713
  163   2HB   ASP  23          1HB       ASP  23 -10.958 -10.498   3.635
  164    NH1  ARG  24           NH2      ARG  24 -12.841  -4.632   5.014
  165    NH2  ARG  24           NH1      ARG  24 -10.962  -4.959   6.294
  166    H    ARG  24           H        ARG  24  -9.950  -7.710   0.323
  167    HA   ARG  24           HA       ARG  24 -12.655  -6.785   0.537
  168   1HB   ARG  24          2HB       ARG  24 -12.274  -4.916   2.019
  169   2HB   ARG  24          1HB       ARG  24 -11.674  -6.309   2.871
  170   1HG   ARG  24          2HG       ARG  24  -9.323  -5.595   1.747
  171   2HG   ARG  24          1HG       ARG  24 -10.073  -4.028   1.638
  172   1HD   ARG  24          2HD       ARG  24  -9.594  -5.721   4.118
  173   2HD   ARG  24          1HD       ARG  24  -8.793  -4.217   3.691
  174    HE   ARG  24           HE       ARG  24 -10.894  -3.005   4.119
  175   1HH1  ARG  24          1HH2      ARG  24 -13.227  -4.260   4.170
  176   2HH1  ARG  24          2HH2      ARG  24 -13.453  -5.075   5.670
  177   1HH2  ARG  24          2HH1      ARG  24  -9.966  -4.834   6.341
  178   2HH2  ARG  24          1HH1      ARG  24 -11.446  -5.402   7.049
  179    H    GLY  25           H        GLY  25  -9.209  -6.165  -0.030
  180   1HA   GLY  25          2HA       GLY  25  -8.602  -5.746  -2.377
  181   2HA   GLY  25          1HA       GLY  25  -9.996  -4.694  -2.467
  182    H    PHE  26           H        PHE  26  -7.325  -4.037  -3.124
  183    HA   PHE  26           HA       PHE  26  -6.619  -1.906  -1.178
  184   1HB   PHE  26          2HB       PHE  26  -4.204  -2.353  -2.177
  185   2HB   PHE  26          1HB       PHE  26  -4.799  -3.268  -0.832
  186    HD1  PHE  26           HD2      PHE  26  -4.353  -3.234  -4.465
  187    HD2  PHE  26           HD1      PHE  26  -5.555  -5.555  -1.130
  188    HE1  PHE  26           HE2      PHE  26  -4.395  -5.218  -5.856
  189    HE2  PHE  26           HE1      PHE  26  -5.612  -7.536  -2.508
  190    HZ   PHE  26           HZ       PHE  26  -5.015  -7.411  -4.903
  191    OH   TYR  27           OH       TYR  27 -12.095   1.895  -5.345
  192    H    TYR  27           H        TYR  27  -5.878  -0.053  -1.871
  193    HA   TYR  27           HA       TYR  27  -5.984   0.571  -4.789
  194   1HB   TYR  27          2HB       TYR  27  -6.809   2.133  -2.325
  195   2HB   TYR  27          1HB       TYR  27  -6.338   3.028  -3.727
  196    HD1  TYR  27           HD1      TYR  27  -7.638   1.420  -5.928
  197    HD2  TYR  27           HD2      TYR  27  -9.049   2.580  -2.080
  198    HE1  TYR  27           HE1      TYR  27  -9.945   1.345  -6.748
  199    HE2  TYR  27           HE2      TYR  27 -11.350   2.498  -2.903
  200    HH   TYR  27           HH       TYR  27 -12.319   2.820  -5.481
  201    H    PHE  28           H        PHE  28  -4.753   2.603  -5.217
  202    HA   PHE  28           HA       PHE  28  -2.217   2.898  -3.684
  203   1HB   PHE  28          2HB       PHE  28  -0.941   2.774  -5.889
  204   2HB   PHE  28          1HB       PHE  28  -1.724   1.254  -5.485
  205    HD1  PHE  28           HD1      PHE  28  -2.161   4.340  -7.560
  206    HD2  PHE  28           HD2      PHE  28  -3.354   0.299  -6.938
  207    HE1  PHE  28           HE1      PHE  28  -3.409   4.377  -9.695
  208    HE2  PHE  28           HE2      PHE  28  -4.592   0.340  -9.061
  209    HZ   PHE  28           HZ       PHE  28  -4.625   2.366 -10.440
  210    H    SER  29           H        SER  29  -4.854   4.236  -4.356
  211    HA   SER  29           HA       SER  29  -3.995   6.703  -5.660
  212   1HB   SER  29          2HB       SER  29  -6.717   6.820  -5.686
  213   2HB   SER  29          1HB       SER  29  -5.821   5.819  -6.842
  214    HG   SER  29           HG       SER  29  -7.488   4.973  -4.995
  215    NH1  ARG  30           NH1      ARG  30  -2.879   9.283  -5.090
  216    NH2  ARG  30           NH2      ARG  30  -0.728  10.071  -5.202
  217    H    ARG  30           H        ARG  30  -3.258   6.599  -2.989
  218    HA   ARG  30           HA       ARG  30  -4.854   7.749  -1.087
  219   1HB   ARG  30          2HB       ARG  30  -2.515   8.831  -0.341
  220   2HB   ARG  30          1HB       ARG  30  -2.760   7.106  -0.298
  221   1HG   ARG  30          2HG       ARG  30  -0.639   7.357  -1.262
  222   2HG   ARG  30          1HG       ARG  30  -1.574   7.142  -2.706
  223   1HD   ARG  30          2HD       ARG  30  -0.493   9.744  -1.573
  224   2HD   ARG  30          1HD       ARG  30   0.058   8.841  -2.965
  225    HE   ARG  30           HE       ARG  30  -2.413  10.512  -2.836
  226   1HH1  ARG  30          2HH1      ARG  30  -3.640   9.092  -4.458
  227   2HH1  ARG  30          1HH1      ARG  30  -2.985   9.124  -6.067
  228   1HH2  ARG  30          1HH2      ARG  30   0.060  10.400  -4.671
  229   2HH2  ARG  30          2HH2      ARG  30  -0.650  10.016  -6.193
  230    HA   PRO  31           HA       PRO  31  -5.290  12.142  -1.981
  231   1HB   PRO  31          2HB       PRO  31  -5.458  13.229   0.512
  232   2HB   PRO  31          1HB       PRO  31  -6.640  12.050  -0.036
  233   1HG   PRO  31          2HG       PRO  31  -4.115  11.483   1.595
  234   2HG   PRO  31          1HG       PRO  31  -5.779  11.079   2.016
  235   1HD   PRO  31          2HD       PRO  31  -4.169   9.273   0.770
  236   2HD   PRO  31          1HD       PRO  31  -5.888   9.305   0.358
  237    H    ALA  32           H        ALA  32  -3.876  13.876   0.090
  238    HA   ALA  32           HA       ALA  32  -1.114  13.692  -1.043
  239   1HB   ALA  32          3HB       ALA  32  -2.455  15.593  -1.992
  240   2HB   ALA  32          2HB       ALA  32  -2.740  16.195  -0.367
  241   3HB   ALA  32          1HB       ALA  32  -1.117  16.202  -1.038
  242    H    SER  33           H        SER  33  -0.195  15.910   0.703
  243    HA   SER  33           HA       SER  33  -0.733  15.008   3.433
  244   1HB   SER  33          2HB       SER  33   2.116  14.852   2.266
  245   2HB   SER  33          1HB       SER  33   1.620  14.319   3.869
  246    HG   SER  33           HG       SER  33  -0.004  13.023   2.357
  247    NH1  ARG  34           NH1      ARG  34   5.183  17.017   8.574
  248    NH2  ARG  34           NH2      ARG  34   4.121  17.772  10.473
  249    H    ARG  34           H        ARG  34   1.753  16.387   4.279
  250    HA   ARG  34           HA       ARG  34   0.906  19.136   3.510
  251   1HB   ARG  34          2HB       ARG  34   1.868  19.838   5.785
  252   2HB   ARG  34          1HB       ARG  34   0.484  18.772   5.895
  253   1HG   ARG  34          2HG       ARG  34   2.019  16.813   6.244
  254   2HG   ARG  34          1HG       ARG  34   3.408  17.877   6.083
  255   1HD   ARG  34          2HD       ARG  34   2.754  19.114   8.122
  256   2HD   ARG  34          1HD       ARG  34   1.249  18.218   8.225
  257    HE   ARG  34           HE       ARG  34   2.544  16.190   8.779
  258   1HH1  ARG  34          2HH1      ARG  34   5.074  16.666   7.644
  259   2HH1  ARG  34          1HH1      ARG  34   6.104  17.141   8.938
  260   1HH2  ARG  34          1HH2      ARG  34   3.242  17.958  10.915
  261   2HH2  ARG  34          2HH2      ARG  34   4.961  17.962  10.983
  262    H    VAL  35           H        VAL  35   3.338  17.183   3.112
  263    HA   VAL  35           HA       VAL  35   5.543  18.999   3.190
  264    HB   VAL  35           HB       VAL  35   5.866  16.611   1.484
  265   1HG1  VAL  35          3HG1      VAL  35   7.684  17.831   2.652
  266   2HG1  VAL  35          2HG1      VAL  35   6.958  17.413   4.200
  267   3HG1  VAL  35          1HG1      VAL  35   7.632  16.145   3.181
  268   1HG2  VAL  35          2HG2      VAL  35   4.826  16.023   4.283
  269   2HG2  VAL  35          1HG2      VAL  35   4.067  15.561   2.758
  270   3HG2  VAL  35          3HG2      VAL  35   5.596  14.871   3.209
  271    H    SER  36           H        SER  36   3.197  19.582   1.387
  272    HA   SER  36           HA       SER  36   2.744  20.537  -0.640
  273   1HB   SER  36          2HB       SER  36   5.667  21.235  -0.276
  274   2HB   SER  36          1HB       SER  36   4.618  21.977  -1.496
  275    HG   SER  36           HG       SER  36   3.473  21.883   1.003
  276    NH1  ARG  37           NH1      ARG  37   8.590  18.348  -0.227
  277    NH2  ARG  37           NH2      ARG  37  10.651  18.465  -1.238
  278    H    ARG  37           H        ARG  37   4.500  18.010  -0.697
  279    HA   ARG  37           HA       ARG  37   4.437  17.714  -3.671
  280   1HB   ARG  37          2HB       ARG  37   6.715  17.173  -1.725
  281   2HB   ARG  37          1HB       ARG  37   6.568  16.123  -3.119
  282   1HG   ARG  37          2HG       ARG  37   6.757  17.948  -4.677
  283   2HG   ARG  37          1HG       ARG  37   6.511  19.162  -3.444
  284   1HD   ARG  37          2HD       ARG  37   8.934  17.304  -3.339
  285   2HD   ARG  37          1HD       ARG  37   8.960  18.746  -4.345
  286    HE   ARG  37           HE       ARG  37   8.572  20.104  -2.298
  287   1HH1  ARG  37          2HH1      ARG  37   7.608  18.556  -0.301
  288   2HH1  ARG  37          1HH1      ARG  37   8.910  17.925   0.617
  289   1HH2  ARG  37          1HH2      ARG  37  11.162  18.723  -2.059
  290   2HH2  ARG  37          2HH2      ARG  37  11.154  18.084  -0.462
  291    NH1  ARG  38           NH1      ARG  38  -1.481  17.282  -5.818
  292    NH2  ARG  38           NH2      ARG  38   0.289  18.599  -6.457
  293    H    ARG  38           H        ARG  38   4.340  15.352  -4.270
  294    HA   ARG  38           HA       ARG  38   3.051  13.711  -2.155
  295   1HB   ARG  38          2HB       ARG  38   1.877  13.927  -4.967
  296   2HB   ARG  38          1HB       ARG  38   1.163  13.184  -3.574
  297   1HG   ARG  38          2HG       ARG  38  -0.055  15.167  -3.502
  298   2HG   ARG  38          1HG       ARG  38   1.277  15.578  -2.462
  299   1HD   ARG  38          2HD       ARG  38   1.088  17.488  -3.846
  300   2HD   ARG  38          1HD       ARG  38   2.411  16.623  -4.592
  301    HE   ARG  38           HE       ARG  38   0.735  15.771  -6.312
  302   1HH1  ARG  38          2HH1      ARG  38  -1.788  16.401  -5.450
  303   2HH1  ARG  38          1HH1      ARG  38  -2.167  17.976  -6.039
  304   1HH2  ARG  38          1HH2      ARG  38   1.279  18.701  -6.573
  305   2HH2  ARG  38          2HH2      ARG  38  -0.290  19.376  -6.708
  306    H    SER  39           H        SER  39   2.534  11.534  -3.213
  307    HA   SER  39           HA       SER  39   4.541  10.444  -5.073
  308   1HB   SER  39          2HB       SER  39   5.563  10.237  -2.690
  309   2HB   SER  39          1HB       SER  39   4.137   9.303  -2.214
  310    HG   SER  39           HG       SER  39   5.007   7.648  -3.144
  311    NH1  ARG  40           NH1      ARG  40  -0.131   3.379 -10.206
  312    NH2  ARG  40           NH2      ARG  40  -0.871   5.079 -11.571
  313    H    ARG  40           H        ARG  40   3.591   8.038  -5.567
  314    HA   ARG  40           HA       ARG  40   0.705   8.228  -5.647
  315   1HB   ARG  40          2HB       ARG  40   2.547   7.542  -7.459
  316   2HB   ARG  40          1HB       ARG  40   2.432   5.981  -6.678
  317   1HG   ARG  40          2HG       ARG  40  -0.053   6.184  -6.904
  318   2HG   ARG  40          1HG       ARG  40   0.291   7.671  -7.803
  319   1HD   ARG  40          2HD       ARG  40   1.348   6.543  -9.605
  320   2HD   ARG  40          1HD       ARG  40   1.551   5.052  -8.706
  321    HE   ARG  40           HE       ARG  40  -1.269   5.723  -8.960
  322   1HH1  ARG  40          2HH1      ARG  40   0.135   3.119  -9.271
  323   2HH1  ARG  40          1HH1      ARG  40  -0.118   2.693 -10.934
  324   1HH2  ARG  40          1HH2      ARG  40  -1.125   6.048 -11.641
  325   2HH2  ARG  40          2HH2      ARG  40  -0.924   4.512 -12.396
  326    H    GLY  41           H        GLY  41   0.883   5.181  -5.708
  327   1HA   GLY  41          2HA       GLY  41   0.908   4.714  -2.784
  328   2HA   GLY  41          1HA       GLY  41  -0.465   4.138  -3.736
  329    H    ILE  42           H        ILE  42   1.769   2.812  -2.198
  330    HA   ILE  42           HA       ILE  42   3.477   1.245  -2.439
  331    HB   ILE  42           HB       ILE  42   2.530  -0.863  -3.869
  332   1HG1  ILE  42          2HG1      ILE  42   0.570   0.780  -4.595
  333   2HG1  ILE  42          1HG1      ILE  42   0.301  -0.927  -4.386
  334   1HG2  ILE  42          3HG2      ILE  42   3.050  -0.977  -1.605
  335   2HG2  ILE  42          2HG2      ILE  42   1.556  -0.156  -1.171
  336   3HG2  ILE  42          1HG2      ILE  42   1.526  -1.739  -1.971
  337   1HD1  ILE  42          2HD1      ILE  42  -0.006   1.264  -2.355
  338   2HD1  ILE  42          1HD1      ILE  42  -1.339   0.440  -3.178
  339   3HD1  ILE  42          3HD1      ILE  42  -0.330  -0.414  -2.012
  340    H    VAL  43           H        VAL  43   2.174   0.145  -5.494
  341    HA   VAL  43           HA       VAL  43   3.842  -0.504  -7.100
  342    HB   VAL  43           HB       VAL  43   2.969   2.279  -7.869
  343   1HG1  VAL  43          2HG1      VAL  43   3.170  -0.454  -9.102
  344   2HG1  VAL  43          1HG1      VAL  43   2.707   1.028  -9.960
  345   3HG1  VAL  43          3HG1      VAL  43   4.334   0.869  -9.273
  346   1HG2  VAL  43          1HG2      VAL  43   1.191  -0.263  -7.754
  347   2HG2  VAL  43          3HG2      VAL  43   0.953   1.135  -6.729
  348   3HG2  VAL  43          2HG2      VAL  43   0.708   1.262  -8.450
  349    H    GLU  44           H        GLU  44   4.613   3.073  -6.956
  350    HA   GLU  44           HA       GLU  44   7.363   2.364  -7.644
  351   1HB   GLU  44          2HB       GLU  44   7.691   4.835  -7.438
  352   2HB   GLU  44          1HB       GLU  44   6.321   4.446  -8.464
  353   1HG   GLU  44          2HG       GLU  44   5.132   4.500  -5.973
  354   2HG   GLU  44          1HG       GLU  44   6.471   5.589  -5.740
  355    H    GLU  45           H        GLU  45   5.592   3.269  -4.750
  356    HA   GLU  45           HA       GLU  45   7.843   3.561  -3.006
  357   1HB   GLU  45          2HB       GLU  45   4.924   2.849  -2.410
  358   2HB   GLU  45          1HB       GLU  45   6.097   3.401  -1.229
  359   1HG   GLU  45          2HG       GLU  45   6.310   5.460  -2.170
  360   2HG   GLU  45          1HG       GLU  45   5.607   5.078  -3.721
  361    H    CYS  46           H        CYS  46   5.553   0.781  -3.638
  362    HA   CYS  46           HA       CYS  46   7.341  -0.862  -1.990
  363   1HB   CYS  46          2HB       CYS  46   5.030  -1.205  -1.858
  364   2HB   CYS  46          1HB       CYS  46   4.769  -1.354  -3.558
  365    H    CYS  47           H        CYS  47   6.975  -0.151  -5.406
  366    HA   CYS  47           HA       CYS  47   8.671  -2.454  -6.116
  367   1HB   CYS  47          2HB       CYS  47   7.071  -1.563  -7.856
  368   2HB   CYS  47          1HB       CYS  47   8.016  -0.102  -7.926
  369    H    PHE  48           H        PHE  48   9.062   1.305  -6.451
  370    HA   PHE  48           HA       PHE  48  11.843   0.987  -6.670
  371   1HB   PHE  48          2HB       PHE  48  10.162   3.525  -6.336
  372   2HB   PHE  48          1HB       PHE  48  11.685   3.197  -7.012
  373    HD1  PHE  48           HD1      PHE  48  10.463   0.540  -8.543
  374    HD2  PHE  48           HD2      PHE  48   9.706   4.744  -8.487
  375    HE1  PHE  48           HE1      PHE  48   9.542   0.407 -10.785
  376    HE2  PHE  48           HE2      PHE  48   8.785   4.592 -10.743
  377    HZ   PHE  48           HZ       PHE  48   8.698   2.428 -11.905
  378    NH1  ARG  49           NH2      ARG  49  12.260   5.609   1.107
  379    NH2  ARG  49           NH1      ARG  49  12.111   7.703   0.191
  380    H    ARG  49           H        ARG  49   9.643   2.120  -3.940
  381    HA   ARG  49           HA       ARG  49  12.165   2.558  -2.420
  382   1HB   ARG  49          2HB       ARG  49   9.293   2.910  -1.384
  383   2HB   ARG  49          1HB       ARG  49  10.749   3.481  -0.675
  384   1HG   ARG  49          2HG       ARG  49  10.383   4.393  -3.505
  385   2HG   ARG  49          1HG       ARG  49   9.254   5.063  -2.358
  386   1HD   ARG  49          2HD       ARG  49  12.288   5.083  -1.926
  387   2HD   ARG  49          1HD       ARG  49  11.390   6.428  -2.624
  388    HE   ARG  49           HE       ARG  49   9.949   5.956  -0.349
  389   1HH1  ARG  49          1HH2      ARG  49  11.949   4.658   1.076
  390   2HH1  ARG  49          2HH2      ARG  49  12.931   5.877   1.795
  391   1HH2  ARG  49          2HH1      ARG  49  11.669   8.267  -0.507
  392   2HH2  ARG  49          1HH1      ARG  49  12.783   8.120   0.802
  393    H    SER  50           H        SER  50  11.696   1.746   0.041
  394    HA   SER  50           HA       SER  50  11.916  -1.119  -0.141
  395   1HB   SER  50          2HB       SER  50  12.388  -0.663   2.413
  396   2HB   SER  50          1HB       SER  50  13.518  -0.010   1.221
  397    HG   SER  50           HG       SER  50  11.685   1.247   2.812
  398    H    CYS  51           H        CYS  51   9.522  -1.065  -0.846
  399    HA   CYS  51           HA       CYS  51   7.169  -0.924   0.174
  400   1HB   CYS  51          2HB       CYS  51   7.968  -2.801  -1.437
  401   2HB   CYS  51          1HB       CYS  51   8.139  -3.779  -0.016
  402    H    ASP  52           H        ASP  52   7.142  -0.193   2.357
  403    HA   ASP  52           HA       ASP  52   7.614  -2.228   4.428
  404   1HB   ASP  52          2HB       ASP  52   7.238  -0.244   5.963
  405   2HB   ASP  52          1HB       ASP  52   8.488   0.080   4.763
  406    H    LEU  53           H        LEU  53   6.011  -3.089   5.580
  407    HA   LEU  53           HA       LEU  53   3.484  -3.678   4.562
  408   1HB   LEU  53          2HB       LEU  53   4.731  -4.667   6.596
  409   2HB   LEU  53          1HB       LEU  53   4.059  -3.363   7.527
  410    HG   LEU  53           HG       LEU  53   2.539  -4.910   8.014
  411   1HD1  LEU  53          2HD1      LEU  53   1.105  -3.218   6.821
  412   2HD1  LEU  53          1HD1      LEU  53   1.210  -4.189   5.360
  413   3HD1  LEU  53          3HD1      LEU  53   0.439  -4.806   6.822
  414   1HD2  LEU  53          2HD2      LEU  53   3.593  -6.748   6.680
  415   2HD2  LEU  53          1HD2      LEU  53   1.858  -6.814   6.465
  416   3HD2  LEU  53          3HD2      LEU  53   2.877  -6.102   5.218
  417    H    ALA  54           H        ALA  54   4.182  -1.345   7.001
  418    HA   ALA  54           HA       ALA  54   1.830  -0.106   7.642
  419   1HB   ALA  54          2HB       ALA  54   4.416   1.384   7.013
  420   2HB   ALA  54          1HB       ALA  54   3.075   2.021   7.945
  421   3HB   ALA  54          3HB       ALA  54   3.998   0.657   8.561
  422    H    LEU  55           H        LEU  55   3.616   0.540   4.542
  423    HA   LEU  55           HA       LEU  55   1.743   2.522   3.751
  424   1HB   LEU  55          2HB       LEU  55   4.070   0.956   2.750
  425   2HB   LEU  55          1HB       LEU  55   3.033   1.489   1.540
  426    HG   LEU  55           HG       LEU  55   4.748   3.011   3.570
  427   1HD1  LEU  55          3HD1      LEU  55   5.819   2.250   1.464
  428   2HD1  LEU  55          2HD1      LEU  55   4.630   3.127   0.516
  429   3HD1  LEU  55          1HD1      LEU  55   5.773   3.996   1.520
  430   1HD2  LEU  55          1HD2      LEU  55   2.760   4.423   1.743
  431   2HD2  LEU  55          3HD2      LEU  55   2.655   4.330   3.488
  432   3HD2  LEU  55          2HD2      LEU  55   3.992   5.171   2.732
  433    H    LEU  56           H        LEU  56   2.343  -0.787   2.796
  434    HA   LEU  56           HA       LEU  56   0.231  -1.303   1.077
  435   1HB   LEU  56          2HB       LEU  56   1.585  -2.944   3.119
  436   2HB   LEU  56          1HB       LEU  56   0.446  -3.671   2.041
  437    HG   LEU  56           HG       LEU  56   1.847  -3.321   0.080
  438   1HD1  LEU  56          2HD1      LEU  56   2.605  -0.955   0.609
  439   2HD1  LEU  56          1HD1      LEU  56   3.700  -1.613   1.797
  440   3HD1  LEU  56          3HD1      LEU  56   3.927  -1.996   0.118
  441   1HD2  LEU  56          2HD2      LEU  56   2.591  -5.093   1.677
  442   2HD2  LEU  56          1HD2      LEU  56   3.952  -4.422   0.796
  443   3HD2  LEU  56          3HD2      LEU  56   3.667  -3.940   2.452
  444    H    GLU  57           H        GLU  57   0.100  -1.456   4.573
  445    HA   GLU  57           HA       GLU  57  -2.525  -2.603   4.546
  446   1HB   GLU  57          2HB       GLU  57  -2.565  -1.909   7.045
  447   2HB   GLU  57          1HB       GLU  57  -1.217  -2.926   6.607
  448   1HG   GLU  57          2HG       GLU  57   0.254  -0.959   6.477
  449   2HG   GLU  57          1HG       GLU  57  -1.081   0.122   6.826
  450    H    THR  58           H        THR  58  -1.304   0.683   4.819
  451    HA   THR  58           HA       THR  58  -4.023   1.748   5.179
  452    HB   THR  58           HB       THR  58  -1.928   2.917   6.076
  453    HG1  THR  58           HG1      THR  58  -3.242   4.529   5.933
  454   1HG2  THR  58          1HG2      THR  58  -1.366   3.576   3.151
  455   2HG2  THR  58          3HG2      THR  58  -0.548   4.279   4.544
  456   3HG2  THR  58          2HG2      THR  58  -0.402   2.580   4.223
  457    OH   TYR  59           OH       TYR  59   1.152   5.718  -0.687
  458    H    TYR  59           H        TYR  59  -1.881   0.732   2.590
  459    HA   TYR  59           HA       TYR  59  -3.442   2.098   0.509
  460   1HB   TYR  59          2HB       TYR  59  -1.157   0.110   0.483
  461   2HB   TYR  59          1HB       TYR  59  -2.048   0.476  -0.987
  462    HD1  TYR  59           HD1      TYR  59  -2.615   3.302  -0.838
  463    HD2  TYR  59           HD2      TYR  59   0.937   1.304   0.386
  464    HE1  TYR  59           HE1      TYR  59  -1.381   5.351  -1.110
  465    HE2  TYR  59           HE2      TYR  59   2.191   3.397   0.087
  466    HH   TYR  59           HH       TYR  59   1.924   5.602  -1.273
  467    H    CYS  60           H        CYS  60  -5.214   0.824   2.012
  468    HA   CYS  60           HA       CYS  60  -5.971  -1.672   0.748
  469   1HB   CYS  60          2HB       CYS  60  -6.360  -0.191   3.211
  470   2HB   CYS  60          1HB       CYS  60  -7.878  -0.672   2.580
  471    H    ALA  61           H        ALA  61  -8.519  -1.596   0.473
  472    HA   ALA  61           HA       ALA  61  -9.467   0.856  -0.880
  473   1HB   ALA  61          2HB       ALA  61  -9.282  -1.806  -2.387
  474   2HB   ALA  61          1HB       ALA  61 -10.080  -0.366  -2.961
  475   3HB   ALA  61          3HB       ALA  61  -8.357  -0.348  -2.733
  476    H    THR  62           H        THR  62 -10.166  -2.479   0.035
  477    HA   THR  62           HA       THR  62 -12.140  -3.555   0.408
  478    HB   THR  62           HB       THR  62 -12.012  -2.972   2.487
  479    HG1  THR  62           HG1      THR  62 -13.561  -0.622   2.147
  480   1HG2  THR  62          2HG2      THR  62 -10.188  -1.468   2.236
  481   2HG2  THR  62          1HG2      THR  62 -11.247  -0.118   1.891
  482   3HG2  THR  62          3HG2      THR  62 -11.245  -0.839   3.485
  483    HA   PRO  63           HA       PRO  63 -15.917  -1.576  -1.370
  484   1HB   PRO  63          2HB       PRO  63 -17.880  -1.941   0.405
  485   2HB   PRO  63          1HB       PRO  63 -17.263  -3.263  -0.609
  486   1HG   PRO  63          2HG       PRO  63 -16.454  -2.569   2.278
  487   2HG   PRO  63          1HG       PRO  63 -16.984  -4.142   1.670
  488   1HD   PRO  63          2HD       PRO  63 -14.332  -3.563   1.861
  489   2HD   PRO  63          1HD       PRO  63 -14.919  -4.499   0.473
  490    H    ALA  64           H        ALA  64 -14.030  -0.032  -0.088
  491    HA   ALA  64           HA       ALA  64 -15.542   1.876   1.631
  492   1HB   ALA  64          2HB       ALA  64 -12.607   1.959   0.711
  493   2HB   ALA  64          1HB       ALA  64 -13.331   3.050   1.875
  494   3HB   ALA  64          3HB       ALA  64 -13.147   1.356   2.274
  495    H    LYS  65           H        LYS  65 -15.598   1.320  -1.376
  496    HA   LYS  65           HA       LYS  65 -15.110   3.769  -2.706
  497   1HB   LYS  65          2HB       LYS  65 -14.964   1.434  -3.584
  498   2HB   LYS  65          1HB       LYS  65 -16.705   1.266  -3.354
  499   1HG   LYS  65          2HG       LYS  65 -17.114   3.112  -4.831
  500   2HG   LYS  65          1HG       LYS  65 -15.381   3.276  -5.128
  501   1HD   LYS  65          2HD       LYS  65 -17.020   0.755  -5.625
  502   2HD   LYS  65          1HD       LYS  65 -16.710   1.939  -6.878
  503   1HE   LYS  65          2HE       LYS  65 -14.287   1.519  -6.788
  504   2HE   LYS  65          1HE       LYS  65 -14.449   0.485  -5.379
  505   1HZ   LYS  65          3HZ       LYS  65 -16.173  -0.450  -7.378
  506   2HZ   LYS  65          2HZ       LYS  65 -14.645  -0.254  -8.080
  507   3HZ   LYS  65          1HZ       LYS  65 -14.820  -1.253  -6.716
  508    H    SER  66           H        SER  66 -16.298   5.210  -1.235
  509    HA   SER  66           HA       SER  66 -19.165   4.971  -0.943
  510   1HB   SER  66          2HB       SER  66 -18.845   7.425  -0.137
  511   2HB   SER  66          1HB       SER  66 -17.807   6.256   0.705
  512    HG   SER  66           HG       SER  66 -17.162   7.691  -1.649
  513    H    GLU  67           HN       GLU  67 -19.659   4.522  -3.114
  514    HA   GLU  67           HA       GLU  67 -19.655   6.772  -5.060
  515   1HB   GLU  67          2HB       GLU  67 -18.585   4.469  -5.656
  516   2HB   GLU  67          1HB       GLU  67 -20.191   3.787  -5.515
  517   1HG   GLU  67          2HG       GLU  67 -20.976   5.290  -7.357
  518   2HG   GLU  67          1HG       GLU  67 -19.344   5.905  -7.547
   
  Start of MODEL          20
 Raw file had  518 H/Q atoms
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1  10.712 -10.635  13.371
    2   2H    ALA   1          2H        ALA   1  12.074 -10.340  14.349
    3   3H    ALA   1          1H        ALA   1  10.962 -11.551  14.780
    4    HA   ALA   1           HA       ALA   1   9.767 -10.128  15.952
    5   1HB   ALA   1          2HB       ALA   1  11.685  -7.953  14.876
    6   2HB   ALA   1          1HB       ALA   1  10.584  -7.776  16.229
    7   3HB   ALA   1          3HB       ALA   1  11.932  -8.885  16.339
    8    OH   TYR   2           OH       TYR   2   5.433  -2.885   9.229
    9    H    TYR   2           H        TYR   2  10.528  -7.770  13.395
   10    HA   TYR   2           HA       TYR   2   7.705  -7.274  12.912
   11   1HB   TYR   2          2HB       TYR   2   9.746  -5.620  12.593
   12   2HB   TYR   2          1HB       TYR   2  10.055  -6.488  11.103
   13    HD1  TYR   2           HD1      TYR   2   7.520  -4.454  12.895
   14    HD2  TYR   2           HD2      TYR   2   8.737  -6.005   9.097
   15    HE1  TYR   2           HE1      TYR   2   5.874  -3.028  11.761
   16    HE2  TYR   2           HE2      TYR   2   7.092  -4.589   7.996
   17    HH   TYR   2           HH       TYR   2   5.806  -2.545   8.409
   18    NH1  ARG   3           NH2      ARG   3   1.788 -10.021  12.364
   19    NH2  ARG   3           NH1      ARG   3   3.241 -11.649  13.085
   20    H    ARG   3           H        ARG   3   6.996  -7.454  10.471
   21    HA   ARG   3           HA       ARG   3   7.228 -10.282   9.763
   22   1HB   ARG   3          2HB       ARG   3   5.581  -7.917   8.849
   23   2HB   ARG   3          1HB       ARG   3   5.926  -9.075   7.604
   24   1HG   ARG   3          2HG       ARG   3   3.793  -9.579   8.653
   25   2HG   ARG   3          1HG       ARG   3   4.919 -10.892   8.905
   26   1HD   ARG   3          2HD       ARG   3   5.334  -9.993  11.273
   27   2HD   ARG   3          1HD       ARG   3   4.082  -8.786  10.972
   28    HE   ARG   3           HE       ARG   3   3.135 -11.455  10.335
   29   1HH1  ARG   3          1HH2      ARG   3   1.503  -9.418  11.615
   30   2HH1  ARG   3          2HH2      ARG   3   1.285  -9.983  13.228
   31   1HH2  ARG   3          2HH1      ARG   3   4.022 -12.233  12.868
   32   2HH2  ARG   3          1HH1      ARG   3   2.830 -11.721  13.994
   33    HA   PRO   4           HA       PRO   4  10.594  -9.741   6.937
   34   1HB   PRO   4          2HB       PRO   4  10.313 -11.781   5.205
   35   2HB   PRO   4          1HB       PRO   4  10.603 -12.111   6.922
   36   1HG   PRO   4          2HG       PRO   4   7.913 -11.978   5.440
   37   2HG   PRO   4          1HG       PRO   4   8.508 -13.298   6.450
   38   1HD   PRO   4          2HD       PRO   4   6.853 -11.374   7.497
   39   2HD   PRO   4          1HD       PRO   4   8.171 -12.043   8.488
   40    H    SER   5           H        SER   5   8.654  -7.849   6.437
   41    HA   SER   5           HA       SER   5   7.416  -7.716   3.970
   42   1HB   SER   5          2HB       SER   5   7.939  -5.162   4.185
   43   2HB   SER   5          1HB       SER   5   7.108  -5.911   5.564
   44    HG   SER   5           HG       SER   5   9.901  -5.680   5.195
   45    H    GLU   6           H        GLU   6   8.301  -8.521   2.318
   46    HA   GLU   6           HA       GLU   6  11.002  -8.103   1.382
   47   1HB   GLU   6          2HB       GLU   6  10.021  -9.365  -0.689
   48   2HB   GLU   6          1HB       GLU   6   9.959 -10.251   0.822
   49   1HG   GLU   6          2HG       GLU   6   7.577  -8.640  -0.216
   50   2HG   GLU   6          1HG       GLU   6   7.857 -10.298  -0.689
   51    H    THR   7           H        THR   7  10.971  -7.432  -1.232
   52    HA   THR   7           HA       THR   7   9.801  -4.705  -1.142
   53    HB   THR   7           HB       THR   7  11.300  -4.329  -3.122
   54    HG1  THR   7           HG1      THR   7  12.340  -6.064  -3.909
   55   1HG2  THR   7          3HG2      THR   7  12.182  -4.004  -0.742
   56   2HG2  THR   7          2HG2      THR   7  12.697  -5.678  -0.709
   57   3HG2  THR   7          1HG2      THR   7  13.464  -4.531  -1.808
   58    H    LEU   8           H        LEU   8  10.282  -7.080  -3.703
   59    HA   LEU   8           HA       LEU   8   8.761  -7.963  -5.293
   60   1HB   LEU   8          2HB       LEU   8   6.555  -6.341  -4.082
   61   2HB   LEU   8          1HB       LEU   8   6.392  -7.767  -5.066
   62    HG   LEU   8           HG       LEU   8   7.792  -8.337  -2.493
   63   1HD1  LEU   8          3HD1      LEU   8   4.942  -7.336  -2.635
   64   2HD1  LEU   8          2HD1      LEU   8   5.673  -7.973  -1.165
   65   3HD1  LEU   8          1HD1      LEU   8   6.231  -6.449  -1.842
   66   1HD2  LEU   8          1HD2      LEU   8   5.148  -9.287  -3.702
   67   2HD2  LEU   8          3HD2      LEU   8   6.703 -10.037  -4.034
   68   3HD2  LEU   8          2HD2      LEU   8   6.040 -10.070  -2.403
   69    H    CYS   9           H        CYS   9   7.828  -7.180  -7.300
   70    HA   CYS   9           HA       CYS   9   7.146  -4.341  -7.518
   71   1HB   CYS   9          2HB       CYS   9   9.572  -4.138  -7.534
   72   2HB   CYS   9          1HB       CYS   9   9.660  -5.209  -8.920
   73    H    GLY  10           H        GLY  10   6.070  -3.767  -9.224
   74   1HA   GLY  10          2HA       GLY  10   4.751  -3.926 -11.180
   75   2HA   GLY  10          1HA       GLY  10   6.097  -4.839 -11.848
   76    H    GLY  11           H        GLY  11   3.035  -5.115 -10.166
   77   1HA   GLY  11          2HA       GLY  11   1.457  -6.922 -10.408
   78   2HA   GLY  11          1HA       GLY  11   2.676  -7.821 -11.335
   79    H    GLU  12           H        GLU  12   4.742  -8.160  -9.925
   80    HA   GLU  12           HA       GLU  12   4.189 -10.050  -7.902
   81   1HB   GLU  12          2HB       GLU  12   6.347  -9.708  -9.140
   82   2HB   GLU  12          1HB       GLU  12   6.603  -8.226  -8.268
   83   1HG   GLU  12          2HG       GLU  12   6.739  -9.566  -6.128
   84   2HG   GLU  12          1HG       GLU  12   6.522 -11.031  -7.074
   85    H    LEU  13           H        LEU  13   4.906  -6.671  -7.717
   86    HA   LEU  13           HA       LEU  13   4.730  -6.341  -4.867
   87   1HB   LEU  13          2HB       LEU  13   5.771  -4.541  -5.752
   88   2HB   LEU  13          1HB       LEU  13   4.973  -4.668  -7.295
   89    HG   LEU  13           HG       LEU  13   3.494  -3.416  -4.881
   90   1HD1  LEU  13          2HD1      LEU  13   5.745  -2.273  -5.574
   91   2HD1  LEU  13          1HD1      LEU  13   5.118  -2.082  -7.185
   92   3HD1  LEU  13          3HD1      LEU  13   4.330  -1.267  -5.841
   93   1HD2  LEU  13          3HD2      LEU  13   3.359  -3.172  -7.886
   94   2HD2  LEU  13          2HD2      LEU  13   2.256  -4.140  -6.920
   95   3HD2  LEU  13          1HD2      LEU  13   2.303  -2.394  -6.706
   96    H    VAL  14           H        VAL  14   2.263  -6.606  -7.281
   97    HA   VAL  14           HA       VAL  14   0.155  -5.377  -5.751
   98    HB   VAL  14           HB       VAL  14   0.022  -7.623  -7.853
   99   1HG1  VAL  14          1HG1      VAL  14  -2.095  -7.440  -6.554
  100   2HG1  VAL  14          3HG1      VAL  14  -2.164  -5.735  -6.982
  101   3HG1  VAL  14          2HG1      VAL  14  -2.304  -6.962  -8.228
  102   1HG2  VAL  14          3HG2      VAL  14  -0.252  -4.569  -8.127
  103   2HG2  VAL  14          2HG2      VAL  14   1.123  -5.505  -8.669
  104   3HG2  VAL  14          1HG2      VAL  14  -0.432  -5.723  -9.445
  105    H    ASP  15           H        ASP  15   1.835  -8.413  -5.625
  106    HA   ASP  15           HA       ASP  15  -0.175  -9.793  -4.101
  107   1HB   ASP  15          2HB       ASP  15   2.255 -10.537  -5.296
  108   2HB   ASP  15          1HB       ASP  15   2.594 -10.686  -3.579
  109    H    THR  16           H        THR  16   2.199  -7.399  -3.272
  110    HA   THR  16           HA       THR  16   2.519  -8.053  -0.524
  111    HB   THR  16           HB       THR  16   3.910  -6.102  -1.626
  112    HG1  THR  16           HG1      THR  16   4.124  -5.716   0.385
  113   1HG2  THR  16          2HG2      THR  16   1.853  -4.774  -2.563
  114   2HG2  THR  16          1HG2      THR  16   1.507  -4.416  -0.894
  115   3HG2  THR  16          3HG2      THR  16   3.030  -3.917  -1.615
  116    H    LEU  17           H        LEU  17   0.298  -5.927  -2.118
  117    HA   LEU  17           HA       LEU  17  -1.275  -5.274   0.191
  118   1HB   LEU  17          2HB       LEU  17  -2.143  -5.477  -2.612
  119   2HB   LEU  17          1HB       LEU  17  -2.921  -4.459  -1.419
  120    HG   LEU  17           HG       LEU  17  -0.023  -3.989  -2.302
  121   1HD1  LEU  17          1HD1      LEU  17  -1.667  -3.588  -4.103
  122   2HD1  LEU  17          3HD1      LEU  17  -2.446  -2.398  -3.042
  123   3HD1  LEU  17          2HD1      LEU  17  -0.752  -2.217  -3.526
  124   1HD2  LEU  17          2HD2      LEU  17  -2.099  -2.314  -0.916
  125   2HD2  LEU  17          1HD2      LEU  17  -0.754  -3.101  -0.103
  126   3HD2  LEU  17          3HD2      LEU  17  -0.455  -1.831  -1.290
  127    H    GLN  18           H        GLN  18  -1.478  -7.611  -2.438
  128    HA   GLN  18           HA       GLN  18  -3.943  -8.708  -1.731
  129   1HB   GLN  18          2HB       GLN  18  -2.350  -9.393  -3.750
  130   2HB   GLN  18          1HB       GLN  18  -1.474 -10.382  -2.588
  131   1HG   GLN  18          2HG       GLN  18  -3.412 -11.807  -2.201
  132   2HG   GLN  18          1HG       GLN  18  -4.444 -10.774  -3.170
  133   1HE2  GLN  18          2HE2      GLN  18  -1.654 -13.033  -5.203
  134   2HE2  GLN  18          1HE2      GLN  18  -1.237 -12.438  -3.688
  135    H    PHE  19           H        PHE  19  -0.775  -9.155  -0.161
  136    HA   PHE  19           HA       PHE  19  -2.051 -11.142   1.619
  137   1HB   PHE  19          2HB       PHE  19   0.087 -11.440   2.684
  138   2HB   PHE  19          1HB       PHE  19   0.475 -11.175   1.009
  139    HD1  PHE  19           HD1      PHE  19   0.030  -9.046   4.117
  140    HD2  PHE  19           HD2      PHE  19   2.306  -9.852   0.606
  141    HE1  PHE  19           HE1      PHE  19   1.538  -7.247   4.706
  142    HE2  PHE  19           HE2      PHE  19   3.850  -8.023   1.233
  143    HZ   PHE  19           HZ       PHE  19   3.501  -6.757   3.230
  144    H    VAL  20           H        VAL  20  -1.004  -7.561   1.951
  145    HA   VAL  20           HA       VAL  20  -2.156  -7.707   4.590
  146    HB   VAL  20           HB       VAL  20  -0.122  -6.320   3.429
  147   1HG1  VAL  20          1HG1      VAL  20  -2.325  -4.254   3.544
  148   2HG1  VAL  20          3HG1      VAL  20  -0.599  -3.974   3.404
  149   3HG1  VAL  20          2HG1      VAL  20  -1.465  -4.779   2.109
  150   1HG2  VAL  20          2HG2      VAL  20  -1.778  -5.531   5.777
  151   2HG2  VAL  20          1HG2      VAL  20  -0.449  -6.702   5.755
  152   3HG2  VAL  20          3HG2      VAL  20  -0.137  -4.990   5.426
  153    H    CYS  21           H        CYS  21  -3.155  -5.871   1.640
  154    HA   CYS  21           HA       CYS  21  -5.184  -4.430   2.722
  155   1HB   CYS  21          2HB       CYS  21  -4.647  -4.204   0.518
  156   2HB   CYS  21          1HB       CYS  21  -4.885  -5.822   0.171
  157    H    GLY  22           H        GLY  22  -5.958  -7.613   1.312
  158   1HA   GLY  22          2HA       GLY  22  -7.188  -9.309   2.547
  159   2HA   GLY  22          1HA       GLY  22  -7.922  -8.050   3.511
  160    H    ASP  23           H        ASP  23  -9.569  -9.746   2.863
  161    HA   ASP  23           HA       ASP  23 -10.832  -9.869   0.373
  162   1HB   ASP  23          2HB       ASP  23 -11.343 -11.422   2.214
  163   2HB   ASP  23          1HB       ASP  23 -12.050 -10.110   3.149
  164    NH1  ARG  24           NH1      ARG  24 -12.628  -5.971   3.907
  165    NH2  ARG  24           NH2      ARG  24 -12.248  -4.271   5.415
  166    H    ARG  24           H        ARG  24 -10.709  -7.818  -0.419
  167    HA   ARG  24           HA       ARG  24 -13.132  -6.391  -0.651
  168   1HB   ARG  24          2HB       ARG  24 -12.030  -4.155   0.290
  169   2HB   ARG  24          1HB       ARG  24 -12.909  -5.206   1.374
  170   1HG   ARG  24          2HG       ARG  24 -10.691  -6.278   2.082
  171   2HG   ARG  24          1HG       ARG  24  -9.861  -5.315   0.898
  172   1HD   ARG  24          2HD       ARG  24  -9.766  -4.562   3.231
  173   2HD   ARG  24          1HD       ARG  24 -10.227  -3.375   1.995
  174    HE   ARG  24           HE       ARG  24 -12.368  -3.217   2.967
  175   1HH1  ARG  24          2HH1      ARG  24 -12.600  -6.304   2.954
  176   2HH1  ARG  24          1HH1      ARG  24 -12.963  -6.616   4.589
  177   1HH2  ARG  24          1HH2      ARG  24 -11.925  -3.330   5.570
  178   2HH2  ARG  24          2HH2      ARG  24 -12.557  -4.785   6.212
  179    H    GLY  25           H        GLY  25  -9.645  -6.214  -0.627
  180   1HA   GLY  25          2HA       GLY  25  -8.304  -6.099  -2.611
  181   2HA   GLY  25          1HA       GLY  25  -9.680  -5.386  -3.468
  182    H    PHE  26           H        PHE  26  -7.047  -4.329  -3.383
  183    HA   PHE  26           HA       PHE  26  -7.196  -1.899  -1.655
  184   1HB   PHE  26          2HB       PHE  26  -4.770  -1.680  -2.836
  185   2HB   PHE  26          1HB       PHE  26  -5.002  -2.619  -1.385
  186    HD1  PHE  26           HD2      PHE  26  -5.563  -5.035  -1.591
  187    HD2  PHE  26           HD1      PHE  26  -4.128  -2.795  -4.883
  188    HE1  PHE  26           HE2      PHE  26  -4.973  -7.077  -2.631
  189    HE2  PHE  26           HE1      PHE  26  -3.537  -4.829  -5.987
  190    HZ   PHE  26           HZ       PHE  26  -3.919  -7.052  -4.909
  191    OH   TYR  27           OH       TYR  27 -13.443   1.276  -2.745
  192    H    TYR  27           H        TYR  27  -6.418   0.105  -2.699
  193    HA   TYR  27           HA       TYR  27  -7.769   0.219  -5.383
  194   1HB   TYR  27          2HB       TYR  27  -7.437   2.346  -3.224
  195   2HB   TYR  27          1HB       TYR  27  -7.876   2.762  -4.859
  196    HD1  TYR  27           HD2      TYR  27  -9.756   0.043  -5.059
  197    HD2  TYR  27           HD1      TYR  27  -9.479   3.376  -2.400
  198    HE1  TYR  27           HE2      TYR  27 -12.094  -0.220  -4.462
  199    HE2  TYR  27           HE1      TYR  27 -11.832   3.086  -1.813
  200    HH   TYR  27           HH       TYR  27 -13.917   0.949  -3.515
  201    H    PHE  28           H        PHE  28  -4.815   0.193  -4.279
  202    HA   PHE  28           HA       PHE  28  -2.730   1.117  -4.996
  203   1HB   PHE  28          2HB       PHE  28  -2.379   0.363  -7.438
  204   2HB   PHE  28          1HB       PHE  28  -2.968  -0.881  -6.350
  205    HD1  PHE  28           HD1      PHE  28  -3.991   1.543  -8.966
  206    HD2  PHE  28           HD2      PHE  28  -5.177  -1.827  -6.628
  207    HE1  PHE  28           HE1      PHE  28  -5.985   1.270 -10.355
  208    HE2  PHE  28           HE2      PHE  28  -7.162  -2.093  -8.012
  209    HZ   PHE  28           HZ       PHE  28  -7.582  -0.557  -9.884
  210    H    SER  29           H        SER  29  -4.927   3.097  -5.179
  211    HA   SER  29           HA       SER  29  -3.581   5.377  -6.052
  212   1HB   SER  29          2HB       SER  29  -4.892   5.888  -8.106
  213   2HB   SER  29          1HB       SER  29  -3.895   4.474  -8.401
  214    HG   SER  29           HG       SER  29  -6.015   3.397  -7.449
  215    NH1  ARG  30           NH2      ARG  30  -5.651   4.651   2.894
  216    NH2  ARG  30           NH1      ARG  30  -7.500   5.964   3.043
  217    H    ARG  30           H        ARG  30  -4.713   4.794  -3.896
  218    HA   ARG  30           HA       ARG  30  -7.402   5.075  -3.414
  219   1HB   ARG  30          2HB       ARG  30  -4.979   5.538  -1.730
  220   2HB   ARG  30          1HB       ARG  30  -6.440   6.295  -1.142
  221   1HG   ARG  30          2HG       ARG  30  -7.596   4.005  -1.389
  222   2HG   ARG  30          1HG       ARG  30  -6.026   3.330  -1.776
  223   1HD   ARG  30          2HD       ARG  30  -6.537   2.983   0.626
  224   2HD   ARG  30          1HD       ARG  30  -5.140   4.040   0.410
  225    HE   ARG  30           HE       ARG  30  -7.550   5.603   0.566
  226   1HH1  ARG  30          1HH2      ARG  30  -5.042   4.043   2.378
  227   2HH1  ARG  30          2HH2      ARG  30  -5.366   4.754   3.854
  228   1HH2  ARG  30          2HH1      ARG  30  -8.296   6.393   2.620
  229   2HH2  ARG  30          1HH1      ARG  30  -7.346   6.124   4.020
  230    HA   PRO  31           HA       PRO  31  -7.317   9.860  -3.392
  231   1HB   PRO  31          2HB       PRO  31  -5.190  11.205  -4.286
  232   2HB   PRO  31          1HB       PRO  31  -5.222  10.578  -2.641
  233   1HG   PRO  31          2HG       PRO  31  -3.984   9.164  -5.064
  234   2HG   PRO  31          1HG       PRO  31  -3.199   9.628  -3.548
  235   1HD   PRO  31          2HD       PRO  31  -4.253   7.133  -3.889
  236   2HD   PRO  31          1HD       PRO  31  -4.415   7.931  -2.307
  237    H    ALA  32           H        ALA  32  -5.325  10.203  -5.837
  238    HA   ALA  32           HA       ALA  32  -7.497   9.989  -7.883
  239   1HB   ALA  32          1HB       ALA  32  -6.201  12.101  -7.874
  240   2HB   ALA  32          3HB       ALA  32  -4.721  11.172  -8.207
  241   3HB   ALA  32          2HB       ALA  32  -6.029  11.203  -9.381
  242    H    SER  33           H        SER  33  -7.010   9.130  -9.923
  243    HA   SER  33           HA       SER  33  -4.922   6.991 -10.172
  244   1HB   SER  33          2HB       SER  33  -7.802   6.086 -10.632
  245   2HB   SER  33          1HB       SER  33  -6.408   5.167 -10.068
  246    HG   SER  33           HG       SER  33  -6.951   5.717  -8.076
  247    NH1  ARG  34           NH2      ARG  34  -8.373   1.644 -17.304
  248    NH2  ARG  34           NH1      ARG  34  -6.121   2.037 -17.100
  249    H    ARG  34           H        ARG  34  -7.061   6.149 -12.287
  250    HA   ARG  34           HA       ARG  34  -5.795   7.834 -14.407
  251   1HB   ARG  34          2HB       ARG  34  -6.758   6.346 -16.076
  252   2HB   ARG  34          1HB       ARG  34  -6.159   5.300 -14.817
  253   1HG   ARG  34          2HG       ARG  34  -8.478   4.945 -13.969
  254   2HG   ARG  34          1HG       ARG  34  -9.091   6.140 -15.079
  255   1HD   ARG  34          2HD       ARG  34  -9.552   3.970 -16.078
  256   2HD   ARG  34          1HD       ARG  34  -8.295   4.731 -17.037
  257    HE   ARG  34           HE       ARG  34  -7.206   3.030 -14.928
  258   1HH1  ARG  34          1HH2      ARG  34  -9.281   1.876 -16.958
  259   2HH1  ARG  34          2HH2      ARG  34  -8.280   0.967 -18.036
  260   1HH2  ARG  34          2HH1      ARG  34  -5.390   2.548 -16.646
  261   2HH2  ARG  34          1HH1      ARG  34  -5.871   1.370 -17.803
  262    H    VAL  35           H        VAL  35  -7.859   8.552 -12.326
  263    HA   VAL  35           HA       VAL  35 -10.313   9.300 -13.380
  264    HB   VAL  35           HB       VAL  35  -8.809  10.515 -11.023
  265   1HG1  VAL  35          1HG1      VAL  35 -11.655   9.740 -11.473
  266   2HG1  VAL  35          3HG1      VAL  35 -10.988  10.429  -9.984
  267   3HG1  VAL  35          2HG1      VAL  35 -10.989  11.381 -11.472
  268   1HG2  VAL  35          3HG2      VAL  35 -10.235   7.794 -11.013
  269   2HG2  VAL  35          2HG2      VAL  35  -8.517   7.998 -10.807
  270   3HG2  VAL  35          1HG2      VAL  35  -9.596   8.612  -9.598
  271    H    SER  36           H        SER  36  -7.832  10.313 -14.764
  272    HA   SER  36           HA       SER  36  -7.177  12.212 -16.027
  273   1HB   SER  36          2HB       SER  36  -9.643  11.811 -16.451
  274   2HB   SER  36          1HB       SER  36  -9.958  13.306 -15.547
  275    HG   SER  36           HG       SER  36  -9.348  14.293 -17.364
  276    NH1  ARG  37           NH1      ARG  37  -7.783  18.236 -11.998
  277    NH2  ARG  37           NH2      ARG  37  -8.366  17.262 -13.985
  278    H    ARG  37           H        ARG  37  -6.693  12.049 -13.585
  279    HA   ARG  37           HA       ARG  37  -6.117  14.814 -12.629
  280   1HB   ARG  37          2HB       ARG  37  -8.129  13.267 -11.390
  281   2HB   ARG  37          1HB       ARG  37  -6.730  12.744 -10.505
  282   1HG   ARG  37          2HG       ARG  37  -7.446  14.533  -9.174
  283   2HG   ARG  37          1HG       ARG  37  -6.279  15.362 -10.186
  284   1HD   ARG  37          2HD       ARG  37  -9.302  15.266 -10.606
  285   2HD   ARG  37          1HD       ARG  37  -8.387  16.677 -10.144
  286    HE   ARG  37           HE       ARG  37  -7.935  15.228 -12.748
  287   1HH1  ARG  37          2HH1      ARG  37  -7.545  18.107 -11.040
  288   2HH1  ARG  37          1HH1      ARG  37  -7.787  19.162 -12.374
  289   1HH2  ARG  37          1HH2      ARG  37  -8.571  16.407 -14.480
  290   2HH2  ARG  37          2HH2      ARG  37  -8.393  18.118 -14.496
  291    NH1  ARG  38           NH2      ARG  38  -2.625  17.252  -6.796
  292    NH2  ARG  38           NH1      ARG  38  -4.491  16.090  -6.118
  293    H    ARG  38           H        ARG  38  -4.678  13.759 -10.317
  294    HA   ARG  38           HA       ARG  38  -2.315  12.806 -11.809
  295   1HB   ARG  38          2HB       ARG  38  -2.582  12.949  -8.765
  296   2HB   ARG  38          1HB       ARG  38  -1.102  12.848  -9.668
  297   1HG   ARG  38          2HG       ARG  38  -1.003  15.117  -9.321
  298   2HG   ARG  38          1HG       ARG  38  -1.882  15.093 -10.827
  299   1HD   ARG  38          2HD       ARG  38  -3.000  16.620  -9.300
  300   2HD   ARG  38          1HD       ARG  38  -4.058  15.253  -9.536
  301    HE   ARG  38           HE       ARG  38  -2.824  14.379  -7.327
  302   1HH1  ARG  38          1HH2      ARG  38  -1.805  17.248  -7.371
  303   2HH1  ARG  38          2HH2      ARG  38  -2.802  18.050  -6.217
  304   1HH2  ARG  38          2HH1      ARG  38  -5.040  15.257  -6.200
  305   2HH2  ARG  38          1HH1      ARG  38  -4.791  16.801  -5.482
  306    H    SER  39           H        SER  39  -1.138  10.883 -10.446
  307    HA   SER  39           HA       SER  39  -3.152   8.803  -9.842
  308   1HB   SER  39          2HB       SER  39  -1.696   7.310 -11.490
  309   2HB   SER  39          1HB       SER  39  -2.934   8.403 -12.142
  310    HG   SER  39           HG       SER  39  -1.316   9.333 -13.123
  311    NH1  ARG  40           NH2      ARG  40   1.673   6.485  -1.148
  312    NH2  ARG  40           NH1      ARG  40   0.401   8.133  -0.246
  313    H    ARG  40           H        ARG  40  -2.514   8.357  -7.654
  314    HA   ARG  40           HA       ARG  40   0.330   7.769  -7.268
  315   1HB   ARG  40          2HB       ARG  40  -0.566   9.321  -5.645
  316   2HB   ARG  40          1HB       ARG  40  -2.097   8.459  -5.539
  317   1HG   ARG  40          2HG       ARG  40  -1.064   6.597  -4.533
  318   2HG   ARG  40          1HG       ARG  40   0.551   7.279  -4.787
  319   1HD   ARG  40          2HD       ARG  40   0.144   8.983  -3.128
  320   2HD   ARG  40          1HD       ARG  40  -1.556   8.505  -2.980
  321    HE   ARG  40           HE       ARG  40  -0.540   6.173  -2.317
  322   1HH1  ARG  40          1HH2      ARG  40   1.819   5.785  -1.861
  323   2HH1  ARG  40          2HH2      ARG  40   2.402   6.503  -0.457
  324   1HH2  ARG  40          2HH1      ARG  40  -0.423   8.692  -0.299
  325   2HH2  ARG  40          1HH1      ARG  40   1.036   8.258   0.518
  326    H    GLY  41           H        GLY  41   0.563   5.741  -5.879
  327   1HA   GLY  41          2HA       GLY  41  -1.293   3.649  -5.741
  328   2HA   GLY  41          1HA       GLY  41  -0.309   3.423  -7.213
  329    H    ILE  42           H        ILE  42   0.378   1.465  -5.390
  330    HA   ILE  42           HA       ILE  42   2.051   2.238  -3.272
  331    HB   ILE  42           HB       ILE  42   2.987  -0.280  -4.516
  332   1HG1  ILE  42          2HG1      ILE  42   0.648  -0.362  -5.439
  333   2HG1  ILE  42          1HG1      ILE  42   1.024  -1.573  -4.238
  334   1HG2  ILE  42          3HG2      ILE  42   1.767   0.477  -1.926
  335   2HG2  ILE  42          2HG2      ILE  42   2.494  -1.061  -2.445
  336   3HG2  ILE  42          1HG2      ILE  42   3.473   0.411  -2.366
  337   1HD1  ILE  42          3HD1      ILE  42  -0.169   1.103  -3.497
  338   2HD1  ILE  42          2HD1      ILE  42  -1.142  -0.332  -3.784
  339   3HD1  ILE  42          1HD1      ILE  42   0.047  -0.292  -2.486
  340    H    VAL  43           H        VAL  43   2.646   0.672  -6.099
  341    HA   VAL  43           HA       VAL  43   4.692   0.265  -7.275
  342    HB   VAL  43           HB       VAL  43   4.591   3.038  -8.380
  343   1HG1  VAL  43          1HG1      VAL  43   3.910   0.245  -9.322
  344   2HG1  VAL  43          3HG1      VAL  43   4.160   1.647 -10.363
  345   3HG1  VAL  43          2HG1      VAL  43   5.498   0.997  -9.408
  346   1HG2  VAL  43          2HG2      VAL  43   2.009   1.423  -8.297
  347   2HG2  VAL  43          1HG2      VAL  43   2.280   2.927  -7.413
  348   3HG2  VAL  43          3HG2      VAL  43   2.286   2.932  -9.169
  349    H    GLU  44           H        GLU  44   5.581   3.748  -7.037
  350    HA   GLU  44           HA       GLU  44   8.230   3.113  -6.704
  351   1HB   GLU  44          2HB       GLU  44   6.657   5.557  -5.844
  352   2HB   GLU  44          1HB       GLU  44   8.404   5.510  -5.765
  353   1HG   GLU  44          2HG       GLU  44   8.645   5.286  -8.103
  354   2HG   GLU  44          1HG       GLU  44   7.028   4.665  -8.342
  355    H    GLU  45           H        GLU  45   5.852   2.796  -4.362
  356    HA   GLU  45           HA       GLU  45   7.569   2.903  -2.004
  357   1HB   GLU  45          2HB       GLU  45   4.622   2.188  -2.357
  358   2HB   GLU  45          1HB       GLU  45   5.467   2.377  -0.825
  359   1HG   GLU  45          2HG       GLU  45   6.018   4.676  -1.360
  360   2HG   GLU  45          1HG       GLU  45   5.450   4.513  -3.005
  361    H    CYS  46           H        CYS  46   5.659   0.312  -3.679
  362    HA   CYS  46           HA       CYS  46   7.225  -1.612  -1.945
  363   1HB   CYS  46          2HB       CYS  46   4.844  -2.045  -2.128
  364   2HB   CYS  46          1HB       CYS  46   4.823  -2.038  -3.836
  365    H    CYS  47           H        CYS  47   6.904  -0.565  -5.228
  366    HA   CYS  47           HA       CYS  47   8.735  -2.507  -6.261
  367   1HB   CYS  47          2HB       CYS  47   7.499  -0.061  -7.487
  368   2HB   CYS  47          1HB       CYS  47   8.996  -0.596  -8.156
  369    H    PHE  48           H        PHE  48   9.118   1.086  -5.484
  370    HA   PHE  48           HA       PHE  48  12.004   0.871  -5.822
  371   1HB   PHE  48          2HB       PHE  48   9.897   2.830  -5.978
  372   2HB   PHE  48          1HB       PHE  48  11.219   3.456  -5.173
  373    HD1  PHE  48           HD2      PHE  48  10.753   1.106  -8.074
  374    HD2  PHE  48           HD1      PHE  48  12.282   4.890  -6.837
  375    HE1  PHE  48           HE2      PHE  48  11.525   1.537 -10.343
  376    HE2  PHE  48           HE1      PHE  48  13.054   5.318  -9.112
  377    HZ   PHE  48           HZ       PHE  48  12.689   3.644 -10.882
  378    NH1  ARG  49           NH1      ARG  49  13.769   6.227  -2.009
  379    NH2  ARG  49           NH2      ARG  49  14.482   4.692  -0.476
  380    H    ARG  49           H        ARG  49   9.665   1.729  -3.119
  381    HA   ARG  49           HA       ARG  49  12.071   2.070  -1.380
  382   1HB   ARG  49          2HB       ARG  49   9.075   2.110  -0.691
  383   2HB   ARG  49          1HB       ARG  49  10.349   2.487   0.414
  384   1HG   ARG  49          2HG       ARG  49   9.932   4.044  -2.170
  385   2HG   ARG  49          1HG       ARG  49   9.158   4.472  -0.667
  386   1HD   ARG  49          2HD       ARG  49  11.098   5.862  -0.723
  387   2HD   ARG  49          1HD       ARG  49  11.535   4.581   0.391
  388    HE   ARG  49           HE       ARG  49  12.434   3.764  -2.188
  389   1HH1  ARG  49          2HH1      ARG  49  13.052   6.516  -2.643
  390   2HH1  ARG  49          1HH1      ARG  49  14.590   6.789  -1.924
  391   1HH2  ARG  49          1HH2      ARG  49  14.281   3.850   0.024
  392   2HH2  ARG  49          2HH2      ARG  49  15.351   5.160  -0.308
  393    H    SER  50           H        SER  50  10.568   0.644   0.852
  394    HA   SER  50           HA       SER  50  11.422  -2.082  -0.027
  395   1HB   SER  50          2HB       SER  50  12.662  -0.938   1.921
  396   2HB   SER  50          1HB       SER  50  11.149  -1.101   2.839
  397    HG   SER  50           HG       SER  50  11.168  -3.326   2.324
  398    H    CYS  51           H        CYS  51   8.669  -0.868  -0.360
  399    HA   CYS  51           HA       CYS  51   6.388  -1.480   0.128
  400   1HB   CYS  51          2HB       CYS  51   7.711  -3.589  -1.071
  401   2HB   CYS  51          1HB       CYS  51   7.439  -4.320   0.480
  402    H    ASP  52           H        ASP  52   7.523  -0.402   2.044
  403    HA   ASP  52           HA       ASP  52   8.167  -1.374   4.499
  404   1HB   ASP  52          2HB       ASP  52   6.759   1.166   3.689
  405   2HB   ASP  52          1HB       ASP  52   7.624   0.927   5.201
  406    H    LEU  53           H        LEU  53   5.461  -2.345   3.460
  407    HA   LEU  53           HA       LEU  53   3.557  -3.356   4.325
  408   1HB   LEU  53          2HB       LEU  53   5.406  -3.680   6.282
  409   2HB   LEU  53          1HB       LEU  53   4.277  -2.683   7.170
  410    HG   LEU  53           HG       LEU  53   3.678  -4.834   7.640
  411   1HD1  LEU  53          2HD1      LEU  53   1.713  -3.950   5.499
  412   2HD1  LEU  53          1HD1      LEU  53   1.427  -5.191   6.701
  413   3HD1  LEU  53          3HD1      LEU  53   1.694  -3.542   7.210
  414   1HD2  LEU  53          3HD2      LEU  53   4.799  -6.078   5.751
  415   2HD2  LEU  53          2HD2      LEU  53   3.127  -6.582   5.869
  416   3HD2  LEU  53          1HD2      LEU  53   3.606  -5.421   4.644
  417    H    ALA  54           H        ALA  54   4.089  -0.897   6.719
  418    HA   ALA  54           HA       ALA  54   1.660   0.083   7.349
  419   1HB   ALA  54          2HB       ALA  54   3.741   1.191   8.102
  420   2HB   ALA  54          1HB       ALA  54   3.961   1.900   6.508
  421   3HB   ALA  54          3HB       ALA  54   2.597   2.382   7.508
  422    H    LEU  55           H        LEU  55   3.213   1.006   4.279
  423    HA   LEU  55           HA       LEU  55   1.199   2.696   3.354
  424   1HB   LEU  55          2HB       LEU  55   3.675   1.218   2.498
  425   2HB   LEU  55          1HB       LEU  55   2.701   1.755   1.232
  426    HG   LEU  55           HG       LEU  55   3.745   3.480   3.571
  427   1HD1  LEU  55          1HD1      LEU  55   5.597   2.746   2.031
  428   2HD1  LEU  55          3HD1      LEU  55   4.681   3.411   0.680
  429   3HD1  LEU  55          2HD1      LEU  55   5.328   4.472   1.905
  430   1HD2  LEU  55          1HD2      LEU  55   2.357   4.342   0.992
  431   2HD2  LEU  55          3HD2      LEU  55   1.673   4.477   2.599
  432   3HD2  LEU  55          2HD2      LEU  55   3.077   5.428   2.170
  433    H    LEU  56           H        LEU  56   2.051  -0.540   2.384
  434    HA   LEU  56           HA       LEU  56  -0.122  -1.286   0.792
  435   1HB   LEU  56          2HB       LEU  56   1.308  -2.972   2.847
  436   2HB   LEU  56          1HB       LEU  56   0.527  -3.609   1.428
  437    HG   LEU  56           HG       LEU  56   2.585  -3.594   0.575
  438   1HD1  LEU  56          2HD1      LEU  56   1.993  -0.715   0.061
  439   2HD1  LEU  56          1HD1      LEU  56   3.243  -1.674  -0.706
  440   3HD1  LEU  56          3HD1      LEU  56   1.558  -2.125  -0.905
  441   1HD2  LEU  56          2HD2      LEU  56   3.617  -1.407   2.365
  442   2HD2  LEU  56          1HD2      LEU  56   3.909  -3.147   2.398
  443   3HD2  LEU  56          3HD2      LEU  56   4.507  -2.201   1.075
  444    H    GLU  57           H        GLU  57   0.167  -1.452   4.320
  445    HA   GLU  57           HA       GLU  57  -2.258  -2.670   4.845
  446   1HB   GLU  57          2HB       GLU  57  -1.175  -0.305   6.473
  447   2HB   GLU  57          1HB       GLU  57  -2.327  -1.493   7.031
  448   1HG   GLU  57          2HG       GLU  57  -0.558  -3.268   6.606
  449   2HG   GLU  57          1HG       GLU  57   0.574  -1.948   6.343
  450    H    THR  58           H        THR  58  -1.567   0.788   4.518
  451    HA   THR  58           HA       THR  58  -4.373   1.600   4.583
  452    HB   THR  58           HB       THR  58  -2.652   3.138   5.513
  453    HG1  THR  58           HG1      THR  58  -2.903   4.881   3.670
  454   1HG2  THR  58          2HG2      THR  58  -1.444   3.289   2.714
  455   2HG2  THR  58          1HG2      THR  58  -0.948   4.265   4.101
  456   3HG2  THR  58          3HG2      THR  58  -0.745   2.543   4.131
  457    OH   TYR  59           OH       TYR  59   0.302   4.665  -2.756
  458    H    TYR  59           H        TYR  59  -2.442   0.310   2.048
  459    HA   TYR  59           HA       TYR  59  -3.773   1.844  -0.076
  460   1HB   TYR  59          2HB       TYR  59  -1.825  -0.385   0.040
  461   2HB   TYR  59          1HB       TYR  59  -2.865  -0.393  -1.391
  462    HD1  TYR  59           HD1      TYR  59  -3.220   1.807  -2.615
  463    HD2  TYR  59           HD2      TYR  59  -0.057   1.250   0.161
  464    HE1  TYR  59           HE1      TYR  59  -2.056   3.749  -3.573
  465    HE2  TYR  59           HE2      TYR  59   1.110   3.183  -0.790
  466    HH   TYR  59           HH       TYR  59   1.171   4.336  -3.080
  467    H    CYS  60           H        CYS  60  -4.670  -0.957   1.736
  468    HA   CYS  60           HA       CYS  60  -6.452  -2.229   0.038
  469   1HB   CYS  60          2HB       CYS  60  -5.816  -2.665   2.530
  470   2HB   CYS  60          1HB       CYS  60  -7.241  -1.760   2.845
  471    H    ALA  61           H        ALA  61  -8.843  -2.121   0.016
  472    HA   ALA  61           HA       ALA  61  -9.804   0.679  -0.160
  473   1HB   ALA  61          3HB       ALA  61 -11.176  -1.957  -0.829
  474   2HB   ALA  61          2HB       ALA  61 -11.823  -0.370  -1.183
  475   3HB   ALA  61          1HB       ALA  61 -10.356  -0.926  -1.980
  476    H    THR  62           H        THR  62  -9.378  -1.151   2.415
  477    HA   THR  62           HA       THR  62 -12.024  -1.233   3.545
  478    HB   THR  62           HB       THR  62 -10.067  -2.764   4.372
  479    HG1  THR  62           HG1      THR  62 -11.454  -1.012   6.103
  480   1HG2  THR  62          1HG2      THR  62  -8.297  -0.975   4.406
  481   2HG2  THR  62          3HG2      THR  62  -9.126  -0.223   5.754
  482   3HG2  THR  62          2HG2      THR  62  -8.452  -1.837   5.919
  483    HA   PRO  63           HA       PRO  63 -11.804   2.901   5.157
  484   1HB   PRO  63          2HB       PRO  63 -10.260   4.745   4.266
  485   2HB   PRO  63          1HB       PRO  63  -9.622   3.482   5.367
  486   1HG   PRO  63          2HG       PRO  63  -9.324   3.568   2.305
  487   2HG   PRO  63          1HG       PRO  63  -8.054   3.355   3.522
  488   1HD   PRO  63          2HD       PRO  63  -9.380   1.270   2.327
  489   2HD   PRO  63          1HD       PRO  63  -8.603   1.128   3.917
  490    H    ALA  64           H        ALA  64 -12.646   1.542   2.613
  491    HA   ALA  64           HA       ALA  64 -13.220   3.331   0.519
  492   1HB   ALA  64          1HB       ALA  64 -15.202   1.300   1.674
  493   2HB   ALA  64          3HB       ALA  64 -15.310   2.024   0.082
  494   3HB   ALA  64          2HB       ALA  64 -13.990   0.930   0.448
  495    H    LYS  65           H        LYS  65 -14.719   5.106   0.225
  496    HA   LYS  65           HA       LYS  65 -15.527   6.448   2.462
  497   1HB   LYS  65          2HB       LYS  65 -16.485   7.768   0.691
  498   2HB   LYS  65          1HB       LYS  65 -14.813   7.444   0.395
  499   1HG   LYS  65          2HG       LYS  65 -15.431   5.831  -1.379
  500   2HG   LYS  65          1HG       LYS  65 -17.114   5.839  -0.891
  501   1HD   LYS  65          2HD       LYS  65 -17.057   8.385  -1.393
  502   2HD   LYS  65          1HD       LYS  65 -15.504   8.083  -2.170
  503   1HE   LYS  65          2HE       LYS  65 -16.592   6.490  -3.748
  504   2HE   LYS  65          1HE       LYS  65 -18.119   6.657  -2.892
  505   1HZ   LYS  65          2HZ       LYS  65 -17.214   9.215  -3.563
  506   2HZ   LYS  65          1HZ       LYS  65 -17.132   8.266  -4.971
  507   3HZ   LYS  65          3HZ       LYS  65 -18.603   8.413  -4.114
  508    H    SER  66           H        SER  66 -16.764   4.776   3.584
  509    HA   SER  66           HA       SER  66 -19.482   4.254   2.508
  510   1HB   SER  66          2HB       SER  66 -18.082   3.226   5.042
  511   2HB   SER  66          1HB       SER  66 -19.665   2.679   4.460
  512    HG   SER  66           HG       SER  66 -18.730   1.740   2.757
  513    H    GLU  67           HN       GLU  67 -21.343   5.069   3.482
  514    HA   GLU  67           HA       GLU  67 -21.229   6.680   5.890
  515   1HB   GLU  67          2HB       GLU  67 -22.365   8.597   4.588
  516   2HB   GLU  67          1HB       GLU  67 -20.658   8.416   4.235
  517   1HG   GLU  67          2HG       GLU  67 -21.320   7.038   2.176
  518   2HG   GLU  67          1HG       GLU  67 -22.996   7.428   2.542
   
   
  No H/Q in entry =         518