*HEADER    NEUROTOXIN                              07-DEC-94   1SHI      
*COMPND    NEUROTOXIN I (SHI) (NMR, 20 STRUCTURES)                       
*SOURCE    SEA ANEMONE (SUN ANEMONE) (STICHODACTYLA HELIANTHUS)          
*EXPDTA    NMR                                                           
*AUTHOR    P.K.PALLAGHY,T.R.DYKE,R.S.NORTON                              
*REVDAT   1   12-OCT-04 1SHI    0   


 !1 ALA
 assign (resid  1 and name   HA) (resid  2 and name   HN) 0 -1.78 2.69
 assign (resid  1 and name   HA) (resid  2 and name   HA) 0 -3.99 5.45
 assign (resid  1 and name  HB#) (resid 21 and name  HG#) 0 -1.33 8.29
 !2 ALA
 assign (resid  2 and name   HN) (resid  2 and name   HA) 0 -2.77 200.00
 assign (resid  2 and name   HN) (resid 21 and name  HG#) 0 -1.33 8.30
 assign (resid  2 and name   HA) (resid 19 and name   HN) 0 -4.00 200.00
 assign (resid  2 and name   HA) (resid  3 and name   HN) 0 -1.33 2.58
 assign (resid  2 and name  HB#) (resid 17 and name  HB#) 0 -0.82 6.31
 !3 CYS
 assign (resid  3 and name   HN) (resid  4 and name   HA) 0 -4.00 5.33
 assign (resid  3 and name   HN) (resid 17 and name   HA) 0 -4.00 5.90
 assign (resid  3 and name   HN) (resid 17 and name  HB#) 0 -2.75 6.77
 assign (resid  3 and name   HN) (resid 17 and name HD1#) 0 -2.90 8.10
 assign (resid  3 and name   HN) (resid 17 and name HD2#) 0 -2.90 8.10
 assign (resid  3 and name   HN) (resid 17 and name  HD#) 0 -1.78 7.73
 assign (resid  3 and name   HN) (resid 19 and name   HN) 0 -2.83 3.89
 assign (resid  3 and name   HN) (resid 19 and name  HA#) 0 -3.12 6.63
 assign (resid  3 and name   HN) (resid 20 and name   HN) 0 -4.00 200.00
 assign (resid  3 and name  HB1) (resid 21 and name   HB) 0 -4.00 6.12
 assign (resid  3 and name  HB1) (resid 37 and name  HE#) 0 -1.78 6.75
 assign (resid  3 and name  HB2) (resid 37 and name  HE#) 0 -1.78 6.75
 assign (resid  3 and name  HB2) (resid 21 and name   HB) 0 -4.00 6.12
 assign (resid  3 and name  HB#) (resid 21 and name   HB) 0 -1.78 5.86
 assign (resid  3 and name  HB#) (resid 21 and name  HG#) 0 -1.78 7.45
 !4 LYS
 assign (resid  4 and name   HN) (resid  4 and name  HB#) 0 -1.36 4.07
 assign (resid  4 and name   CB) (resid  4 and name   HN) 0 -1.17 200.00 
 assign (resid  4 and name  HG#) (resid  4 and name   HA) 0 -1.12 4.02 
 assign (resid  4 and name   CG) (resid  4 and name   HA) 0 -0.93 200.00 
 assign (resid  4 and name   HN) (resid  5 and name   HN) 0 -3.57 5.06
 assign (resid  4 and name   HA) (resid  5 and name   HN) 0 -2.04 2.68
 assign (resid  4 and name  HG#) (resid  5 and name   HN) 0 -1.37 4.67
 assign (resid  4 and name   CG) (resid  5 and name   HN) 0 -1.18 4.86
 assign (resid  4 and name  HB#) (resid  5 and name   HN) 0 -2.35 5.24
 assign (resid  4 and name   CB) (resid  5 and name   HN) 0 -2.16 200.00 
 assign (resid  4 and name   CD) (resid  5 and name   HN) 0 -2.91 7.69
 assign (resid  4 and name  HD#) (resid  5 and name   HN) 0 -3.10 7.50
 assign (resid  4 and name  HE#) (resid  5 and name   HN) 0 -1.78 7.67
 assign (resid  4 and name  HE2) (resid  5 and name   HN) 0 -4.00 200.00 
 assign (resid  4 and name   HN) (resid 17 and name  HD#) 0 -2.13 7.37
 assign (resid  4 and name   HN) (resid 37 and name   CG) 0 -1.78 9.08
 assign (resid  4 and name   HN) (resid 37 and name   CZ) 0 -1.78 7.21
 assign (resid  4 and name   HN) (resid 37 and name  HE#) 0 -1.78 7.21
 assign (resid  4 and name   HN) (resid 37 and name  HD#) 0 -1.78 9.08
 assign (resid  4 and name   HA) (resid 15 and name  HB#) 0 -2.34 6.18
 assign (resid  4 and name   HA) (resid 17 and name   HN) 0 -3.87 5.20
 assign (resid  4 and name   HA) (resid 17 and name  HD#) 0 -2.40 7.90
 assign (resid  4 and name   CB) (resid 17 and name  HD#) 0 -0.87 8.35
 assign (resid  4 and name  HB#) (resid 17 and name HD1#) 0 -1.06 9.73
 assign (resid  4 and name  HB#) (resid 17 and name HD2#) 0 -1.06 9.73
 assign (resid  4 and name  HB#) (resid 17 and name  HD#) 0 -1.78 7.21
 assign (resid  4 and name   CG) (resid 16 and name  HD#) 0 -1.78 8.72
 assign (resid  4 and name   CG) (resid 16 and name  HD2) 0 -2.91 200.00
 assign (resid  4 and name   CG) (resid 17 and name  HD#) 0 -0.00 9.00 
 assign (resid  4 and name   CG) (resid 18 and name   HN) 0 -2.78 7.32
 assign (resid  4 and name  HG#) (resid 16 and name  HD2) 0 -3.10 9.40
 assign (resid  4 and name  HG#) (resid 16 and name  HD1) 0 -0.88 9.40
 assign (resid  4 and name  HG#) (resid 17 and name HD1#) 0 -0.14 8.18
 assign (resid  4 and name  HG#) (resid 17 and name HD2#) 0 -0.14 8.18
 assign (resid  4 and name  HG#) (resid 18 and name   HN) 0 -2.97 7.13
 assign (resid  4 and name  HG#) (resid 16 and name  HD#) 0 -1.78 7.58
 assign (resid  4 and name  HG#) (resid 17 and name  HD#) 0 -1.78 5.64
 assign (resid  4 and name  HE1) (resid 17 and name  HD#) 0 -2.90 200.00
 assign (resid  4 and name  HE2) (resid 17 and name  HD#) 0 -2.90 200.00
 !5 CYS
 assign (resid  5 and name   HN) (resid  5 and name  HB#) 0 -2.68 3.52
 assign (resid  5 and name   HN) (resid  5 and name  HB1) 0 -2.23 200.00
 assign (resid  5 and name   HN) (resid  5 and name  HB2) 0 -2.23 200.00
 assign (resid  5 and name   HA) (resid  5 and name  HB#) 0 -2.30 200.00
 assign (resid  5 and name   HN) (resid  6 and name   HN) 0 -4.00 5.71
 assign (resid  5 and name   HN) (resid  8 and name   HN) 0 -4.00 5.99
 assign (resid  5 and name   HN) (resid  8 and name  HB#) 0 -2.85 7.25
 assign (resid  5 and name   HN) (resid 15 and name  HB#) 0 -2.79 6.92
 assign (resid  5 and name   HN) (resid 17 and name   HN) 0 -4.00 6.58
 assign (resid  5 and name   HN) (resid 17 and name   HA) 0 -3.51 5.20
 assign (resid  5 and name   HN) (resid 17 and name  HB#) 0 -3.12 7.68
 assign (resid  5 and name   HN) (resid 17 and name  HD#) 0 -1.32 9.22
 assign (resid  5 and name   HN) (resid 18 and name   HN) 0 -3.53 5.18
 assign (resid  5 and name   HN) (resid 18 and name HG2#) 0 -2.90 7.50
 assign (resid  5 and name   HN) (resid 19 and name   HN) 0 -3.57 5.16
 assign (resid  5 and name   HA) (resid  6 and name   HN) 0 -2.43 3.19
 assign (resid  5 and name   HA) (resid 34 and name  HB#) 0 -2.31 5.73
 assign (resid  5 and name  HB1) (resid  8 and name  HG1) 0 -1.78 7.98
 assign (resid  5 and name  HB1) (resid  8 and name  HG2) 0 -1.78 7.98
 assign (resid  5 and name  HB2) (resid  8 and name  HG1) 0 -1.78 7.98
 assign (resid  5 and name  HB2) (resid  8 and name  HG2) 0 -1.78 7.98
 assign (resid  5 and name  HB#) (resid  7 and name   HN) 0 -2.18 4.63
 assign (resid  5 and name  HB#) (resid  8 and name   HA) 0 -3.12 7.62
 assign (resid  5 and name  HB#) (resid  8 and name  HG#) 0 -2.62 6.42
 !6 ASP
 assign (resid  6 and name   HN) (resid  6 and name   HA) 0 -2.62 200.00
 assign (resid  6 and name   HN) (resid  7 and name   HN) 0 -2.48 3.28
 assign (resid  6 and name  HB#) (resid  7 and name   HN) 0 -2.37 200.00 
 assign (resid  6 and name   HN) (resid  8 and name   HN) 0 -4.00 6.42
 assign (resid  6 and name   HN) (resid 33 and name   HA) 0 -3.88 5.52
 assign (resid  6 and name   HN) (resid 35 and name   HN) 0 -4.00 7.36
 assign (resid  6 and name  HB1) (resid 35 and name   HN) 0 -4.00 6.22
 assign (resid  6 and name  HB2) (resid 35 and name   HN) 0 -4.00 6.22
 assign (resid  6 and name  HB#) (resid 35 and name   HN) 0 -1.78 6.06
 !7 ASP
 assign (resid  7 and name   HN) (resid  8 and name   HN) 0 -2.62 3.40
 assign (resid  7 and name  HB#) (resid  8 and name   HN) 0 -3.12 200.00
 assign (resid  7 and name   HN) (resid  8 and name   HA) 0 -4.00 5.89
 assign (resid  7 and name   HN) (resid  9 and name   HN) 0 -4.00 6.47
 assign (resid  7 and name   HN) (resid 33 and name   HA) 0 -4.00 5.76
 !8 GLU
 assign (resid  8 and name   HN) (resid  8 and name   HA) 0 -2.62 200.00
 assign (resid  8 and name   HN) (resid  9 and name   HN) 0 -2.37 3.12
 assign (resid  8 and name   HN) (resid 15 and name  HB#) 0 -2.90 7.86
 assign (resid  8 and name   HA) (resid  9 and name   HN) 0 -2.71 3.56
 assign (resid  8 and name  HB#) (resid  9 and name   HN) 0 -2.52 200.00 
 assign (resid  8 and name  HB1) (resid 16 and name  HD2) 0 -1.78 6.21
 assign (resid  8 and name  HB1) (resid 16 and name  HD1) 0 -1.78 6.21
 assign (resid  8 and name  HB2) (resid 16 and name  HD2) 0 -1.78 6.21
 assign (resid  8 and name  HB2) (resid 16 and name  HD1) 0 -1.78 6.21
 assign (resid  8 and name  HB#) (resid 16 and name  HD#) 0 -2.05 4.66
 assign (resid  8 and name  HG#) (resid  9 and name   HN) 0 -2.86 6.82
 assign (resid  8 and name  HG#) (resid 16 and name  HD#) 0 -2.13 7.15
 !9 GLY
 assign (resid  9 and name   HN) (resid  9 and name  HA1) 0 -2.39 200.00
 assign (resid  9 and name   HN) (resid  9 and name  HA2) 0 -2.39 200.00
 assign (resid  9 and name   HN) (resid 10 and name  HD2) 0 -3.59 6.02
 assign (resid  9 and name   HN) (resid 10 and name  HD1) 0 -3.59 6.02
 assign (resid  9 and name   HN) (resid 10 and name  HD#) 0 -3.70 5.80
 assign (resid  9 and name   HN) (resid 15 and name  HB#) 0 -2.90 7.97
 !10 PRO
 assign (resid 10 and name  HB#) (resid 11 and name   HN) 0 -3.12 200.00
 assign (resid 10 and name  HD2) (resid 11 and name   HN) 0 -2.83 5.09
 assign (resid 10 and name  HD2) (resid 11 and name  HB1) 0 -2.25 8.86
 assign (resid 10 and name  HD2) (resid 11 and name  HB2) 0 -2.25 8.86
 assign (resid 10 and name  HD1) (resid 11 and name   HN) 0 -2.83 5.09
 assign (resid 10 and name  HD1) (resid 11 and name  HB1) 0 -2.25 8.86
 assign (resid 10 and name  HD1) (resid 11 and name  HB2) 0 -2.25 8.86
 assign (resid 10 and name  HD#) (resid 11 and name   HN) 0 -3.00 4.73
 assign (resid 10 and name  HD#) (resid 11 and name  HB#) 0 -3.00 7.72
 !11 ASP
 assign (resid 11 and name  HB1) (resid 14 and name   HN) 0 -3.04 200.00 
 assign (resid 11 and name  HB2) (resid 14 and name   HN) 0 -3.04 200.00 
 assign (resid 11 and name  HB#) (resid 14 and name   HN) 0 -3.44 5.02
 assign (resid 11 and name  HB#) (resid 12 and name   HN) 0 -3.12 200.00 
 !12 ILE
 assign (resid 12 and name   HA) (resid 12 and name   HB) 0 -1.78 2.63
 assign (resid 12 and name HG2#) (resid 13 and name   CD) 0 -1.81 9.06
 assign (resid 12 and name HG2#) (resid 13 and name  HD#) 0 -2.00 8.87
 !13 ARG
 assign (resid 13 and name   HN) (resid 13 and name   HA) 0 -2.32 200.00
 assign (resid 13 and name   HN) (resid 13 and name   CD) 0 -2.91 7.46
 assign (resid 13 and name   HA) (resid 13 and name   CD) 0 -2.84 200.00 
 assign (resid 13 and name   HN) (resid 13 and name  HD#) 0 -3.10 7.27
 assign (resid 13 and name   HN) (resid 13 and name   HE) 0 -4.00 6.03
 assign (resid 13 and name   HN) (resid 14 and name   HN) 0 -2.21 3.07
 assign (resid 13 and name   HN) (resid 14 and name HG2#) 0 -2.90 7.88
 assign (resid 13 and name   HA) (resid 13 and name  HD#) 0 -3.03 6.31
 assign (resid 13 and name   HA) (resid 14 and name   HN) 0 -2.82 200.00
 assign (resid 13 and name  HB#) (resid 14 and name   HN) 0 -1.92 4.05
 assign (resid 13 and name   CG) (resid 14 and name   HN) 0 -1.78 6.42
 assign (resid 13 and name  HG#) (resid 14 and name   HN) 0 -2.51 6.23
 assign (resid 13 and name   CD) (resid 14 and name HG2#) 0 -1.81 9.86
 assign (resid 13 and name  HD#) (resid 14 and name HG2#) 0 -2.00 9.67
 assign (resid 13 and name  HD#) (resid 13 and name   HE) 0 -1.71 200.00
 !15 ALA
 assign (resid 15 and name   HN) (resid 17 and name  HD#) 0 -1.32 9.90
 assign (resid 15 and name   HN) (resid 16 and name   HA) 0 -4.00 200.00 
 assign (resid 15 and name  HB#) (resid 16 and name  HD#) 0 -2.19 200.00 
 !16 PRO
 assign (resid 16 and name   HA) (resid 17 and name  HD#) 0 -1.32 8.99
 assign (resid 16 and name  HB1) (resid 17 and name   HN) 0 -3.18 4.65
 assign (resid 16 and name  HB2) (resid 17 and name   HN) 0 -3.18 4.65
 assign (resid 16 and name  HB#) (resid 17 and name   HN) 0 -3.27 4.33
 assign (resid 16 and name  HB#) (resid 18 and name HG2#) 0 -1.20 6.80
 assign (resid 16 and name  HG#) (resid 17 and name   HN) 0 -1.78 5.18
 assign (resid 16 and name  HD2) (resid 17 and name   HN) 0 -2.87 5.14
 assign (resid 16 and name  HD1) (resid 17 and name   HN) 0 -2.87 5.14
 assign (resid 16 and name  HD#) (resid 17 and name   HN) 0 -3.26 4.49
 assign (resid 16 and name  HD#) (resid 17 and name  HD#) 0 -1.78 10.07
 assign (resid 16 and name  HD#) (resid 18 and name HG2#) 0 -2.02 9.20
 !17 LEU
 assign (resid 17 and name   HN) (resid 17 and name   HA) 0 -1.78 2.67
 assign (resid 17 and name   HN) (resid 17 and name  HD#) 0 -1.78 6.74
 assign (resid 17 and name   HN) (resid 17 and name  HB#) 0 -2.39 200.00
 assign (resid 17 and name   HN) (resid 18 and name   HN) 0 -3.01 4.07
 assign (resid 17 and name   HA) (resid 18 and name   HN) 0 -1.78 2.96
 assign (resid 17 and name   HA) (resid 19 and name   HN) 0 -3.00 4.04
 assign (resid 17 and name  HB1) (resid 18 and name   HN) 0 -3.26 5.35
 assign (resid 17 and name  HB2) (resid 18 and name   HN) 0 -3.26 5.35
 assign (resid 17 and name  HB#) (resid 18 and name   HN) 0 -3.22 4.92
 assign (resid 17 and name  HD#) (resid 18 and name   HN) 0 -2.90 8.74
 !18 THR
 assign (resid 18 and name   HN) (resid 19 and name   HN) 0 -2.54 3.43
 assign (resid 18 and name   HA) (resid 19 and name   HN) 0 -2.89 200.00 
 assign (resid 18 and name   HB) (resid 45 and name  HD#) 0 -2.50 6.01
 assign (resid 18 and name   HB) (resid 45 and name   HE) 0 -3.97 6.31
 assign (resid 18 and name HG2#) (resid 19 and name   HN) 0 -2.90 6.94
 assign (resid 18 and name HG2#) (resid 45 and name  HD#) 0 -1.78 8.36
 assign (resid 18 and name HG2#) (resid 45 and name  HD1) 0 -2.90 200.00
 assign (resid 18 and name HG2#) (resid 45 and name  HD2) 0 -2.90 200.00
 assign (resid 18 and name HG2#) (resid 45 and name   HE) 0 -2.90 200.00
 !19 GLY
 assign (resid 19 and name   HN) (resid 20 and name   HN) 0 -4.00 5.70
 assign (resid 19 and name  HA1) (resid 45 and name  HG#) 0 -0.88 7.33
 assign (resid 19 and name  HA2) (resid 45 and name  HG#) 0 -0.88 7.33
 assign (resid 19 and name  HA#) (resid 45 and name   CG) 0 -1.78 6.65
 !20 THR
 assign (resid 20 and name   HN) (resid 20 and name HG2#) 0 -2.90 200.00
 assign (resid 20 and name   HN) (resid 21 and name   HN) 0 -4.00 200.00
 assign (resid 20 and name   HN) (resid 30 and name  HE3) 0 -4.00 6.56
 assign (resid 20 and name   HN) (resid 30 and name  HZ3) 0 -3.04 5.12
 assign (resid 20 and name   HN) (resid 44 and name   HN) 0 -2.74 3.58
 assign (resid 20 and name   HN) (resid 44 and name   HA) 0 -4.00 5.87
 assign (resid 20 and name   HN) (resid 45 and name   HA) 0 -4.00 200.00 
 assign (resid 20 and name   HN) (resid 45 and name   CG) 0 -2.52 6.40
 assign (resid 20 and name   HN) (resid 45 and name  HG#) 0 -2.71 6.21
 assign (resid 20 and name   HB) (resid 21 and name   HN) 0 -4.00 200.00
 assign (resid 20 and name   HB) (resid 30 and name  HE3) 0 -3.42 5.25
 assign (resid 20 and name   HB) (resid 30 and name  HZ3) 0 -1.78 2.66
 assign (resid 20 and name   HB) (resid 30 and name  HZ2) 0 -4.00 6.39
 assign (resid 20 and name   HB) (resid 45 and name   HA) 0 -3.94 4.97
 assign (resid 20 and name HG2#) (resid 21 and name   HN) 0 -1.59 5.40
 assign (resid 20 and name HG2#) (resid 22 and name   HN) 0 -2.90 8.84
 assign (resid 20 and name HG2#) (resid 30 and name  HZ2) 0 -2.90 8.25
 !21 VAL
 assign (resid 21 and name   HN) (resid 21 and name   HA) 0 -2.56 200.00
 assign (resid 21 and name   HN) (resid 21 and name   HB) 0 -1.78 2.65
 assign (resid 21 and name   HN) (resid 22 and name   HN) 0 -4.00 5.39
 assign (resid 21 and name   HN) (resid 37 and name  HE#) 0 -1.80 9.28
 assign (resid 21 and name   HN) (resid 37 and name   CZ) 0 -1.78 9.28
 assign (resid 21 and name   HA) (resid 22 and name   HN) 0 -1.78 2.49
 assign (resid 21 and name   HA) (resid 37 and name   CG) 0 -1.78 8.69
 assign (resid 21 and name   HA) (resid 37 and name  HD#) 0 -1.80 8.69
 assign (resid 21 and name   HA) (resid 37 and name  HE#) 0 -1.80 7.93
 assign (resid 21 and name   HA) (resid 37 and name   CZ) 0 -1.78 7.93
 assign (resid 21 and name   HA) (resid 44 and name   HN) 0 -3.03 4.18
 assign (resid 21 and name   HB) (resid 37 and name  HE#) 0 -1.80 7.64
 assign (resid 21 and name   HB) (resid 37 and name   CZ) 0 -1.78 7.64
 assign (resid 21 and name HG1#) (resid 22 and name   HN) 0 -1.78 6.60
 assign (resid 21 and name HG1#) (resid 37 and name  HD#) 0 -1.78 8.79
 assign (resid 21 and name HG1#) (resid 37 and name  HE#) 0 -1.78 7.36
 assign (resid 21 and name HG2#) (resid 22 and name   HN) 0 -1.78 6.60
 assign (resid 21 and name HG2#) (resid 37 and name  HD#) 0 -1.78 8.79
 assign (resid 21 and name HG2#) (resid 37 and name  HE#) 0 -1.78 7.36
 assign (resid 21 and name  HG#) (resid 22 and name   HN) 0 -1.83 5.61
 assign (resid 21 and name  HG#) (resid 23 and name   HN) 0 -1.33 9.11
 assign (resid 21 and name  HG#) (resid 37 and name  HD#) 0 -1.78 8.38
 assign (resid 21 and name  HG#) (resid 37 and name  HE#) 0 -1.78 6.88
 assign (resid 21 and name  HG#) (resid 41 and name  HB#) 0 -1.78 7.34
 assign (resid 21 and name  HG#) (resid 43 and name  HB#) 0 -1.78 9.81
 !22 ASP
 assign (resid 22 and name   HN) (resid 23 and name   HN) 0 -4.00 200.00
 assign (resid 22 and name   HN) (resid 37 and name  HE#) 0 -1.80 8.87
 assign (resid 22 and name   HN) (resid 37 and name   CZ) 0 -1.80 8.87
 assign (resid 22 and name   HN) (resid 41 and name  HB#) 0 -2.42 6.45
 assign (resid 22 and name   HN) (resid 42 and name  HB#) 0 -3.12 6.75
 assign (resid 22 and name  HB#) (resid 25 and name   HN) 0 -2.63 5.71
 assign (resid 22 and name  HB#) (resid 41 and name  HB#) 0 -2.02 9.17
 !23 LEU
 assign (resid 23 and name   HN) (resid 23 and name   HA) 0 -2.34 200.00
 assign (resid 23 and name   HN) (resid 24 and name   HN) 0 -4.00 5.63
 assign (resid 23 and name   HN) (resid 41 and name  HB#) 0 -2.90 7.28
 assign (resid 23 and name   HA) (resid 24 and name   HN) 0 -1.78 2.44
 assign (resid 23 and name   HA) (resid 24 and name  HA#) 0 -2.80 5.91
 assign (resid 23 and name   HA) (resid 41 and name  HB#) 0 -1.80 4.96
 assign (resid 23 and name  HD#) (resid 37 and name  HE#) 0 -1.78 11.53
 assign (resid 23 and name  HD#) (resid 37 and name   CZ) 0 -1.78 11.53
 !24 GLY
 assign (resid 24 and name   HN) (resid 25 and name   HN) 0 -3.12 4.17
 assign (resid 24 and name  HA1) (resid 25 and name   HN) 0 -2.29 200.00
 assign (resid 24 and name  HA2) (resid 25 and name   HN) 0 -2.29 200.00
 !25 SER
 assign (resid 25 and name   HN) (resid 26 and name   HN) 0 -3.76 4.84
 assign (resid 25 and name  HB1) (resid 26 and name   HN) 0 -2.74 5.15
 assign (resid 25 and name  HB2) (resid 26 and name   HN) 0 -2.74 5.15
 assign (resid 25 and name  HB#) (resid 26 and name   HN) 0 -2.97 4.39
 !26 CYS
 assign (resid 26 and name  HB#) (resid 30 and name  HB#) 0 -1.68 5.30
 assign (resid 26 and name  HB#) (resid 31 and name   HN) 0 -3.12 7.87
 assign (resid 26 and name  HB#) (resid 45 and name   HN) 0 -3.12 7.35
 !27 ASN
 assign (resid 27 and name   HN) (resid 27 and name   HA) 0 -2.76 200.00
 assign (resid 27 and name   HN) (resid 27 and name  HB#) 0 -1.78 3.51
 assign (resid 27 and name   HN) (resid 27 and name HD21) 0 -3.96 6.68
 assign (resid 27 and name   HN) (resid 27 and name HD22) 0 -3.96 6.68
 assign (resid 27 and name   HN) (resid 27 and name HD2#) 0 -1.78 6.34
 assign (resid 27 and name   HN) (resid 28 and name   HN) 0 -4.00 5.64
 assign (resid 27 and name   HN) (resid 30 and name   HN) 0 -4.00 6.43
 assign (resid 27 and name   HN) (resid 30 and name  HB#) 0 -2.35 5.45
 assign (resid 27 and name   HN) (resid 30 and name  HD1) 0 -4.00 200.00
 assign (resid 27 and name  HB1) (resid 30 and name  HD1) 0 -2.84 200.00
 assign (resid 27 and name  HB2) (resid 30 and name  HD1) 0 -2.84 200.00
 assign (resid 27 and name   HA) (resid 28 and name   HN) 0 -1.78 2.84
 assign (resid 27 and name  HB1) (resid 28 and name   HN) 0 -2.16 4.56
 assign (resid 27 and name  HB1) (resid 30 and name  HE1) 0 -3.26 5.32
 assign (resid 27 and name  HB2) (resid 28 and name   HN) 0 -2.16 4.56
 assign (resid 27 and name  HB2) (resid 30 and name  HE1) 0 -3.26 5.32
 assign (resid 27 and name  HB#) (resid 27 and name HD2#) 0 -2.97 200.00
 assign (resid 27 and name  HB#) (resid 28 and name   HN) 0 -2.72 3.74
 assign (resid 27 and name  HB#) (resid 30 and name   HN) 0 -3.12 6.68
 assign (resid 27 and name  HB#) (resid 30 and name  HD1) 0 -2.26 5.08
 assign (resid 27 and name  HB#) (resid 30 and name  HE1) 0 -3.40 4.79
 assign (resid 27 and name HD2#) (resid 30 and name  HD1) 0 -3.13 7.18
 !28 ALA
 assign (resid 28 and name   HN) (resid 28 and name   HA) 0 -2.61 200.00
 assign (resid 28 and name   HN) (resid 29 and name   HN) 0 -4.00 5.71
 assign (resid 28 and name   HN) (resid 30 and name  HD1) 0 -3.95 5.53
 assign (resid 28 and name   HA) (resid 29 and name   HN) 0 -1.78 2.62
 assign (resid 28 and name   HA) (resid 30 and name   HN) 0 -2.89 3.98
 assign (resid 28 and name   HA) (resid 30 and name  HD1) 0 -4.00 5.91
 assign (resid 28 and name  HB#) (resid 29 and name  HA#) 0 -1.92 7.46
 assign (resid 28 and name  HB#) (resid 30 and name  HD1) 0 -2.90 7.00
 !29 GLY
 assign (resid 29 and name   HN) (resid 29 and name  HA1) 0 -2.33 200.00
 assign (resid 29 and name   HN) (resid 29 and name  HA2) 0 -2.33 200.00
 assign (resid 29 and name   HN) (resid 29 and name  HA#) 0 -2.35 200.00
 assign (resid 29 and name   HN) (resid 30 and name   HN) 0 -2.36 3.00
 assign (resid 29 and name   HN) (resid 30 and name  HB#) 0 -3.12 8.00
 assign (resid 29 and name   HN) (resid 30 and name  HD1) 0 -4.00 5.70
 assign (resid 29 and name   HN) (resid 30 and name  HE1) 0 -4.00 200.00
 assign (resid 29 and name  HA1) (resid 47 and name  HD#) 0 -0.88 7.46
 assign (resid 29 and name  HA2) (resid 47 and name  HD#) 0 -0.88 7.46
 assign (resid 29 and name  HA#) (resid 47 and name   CD) 0 -1.78 6.78
 !30 TRP
 assign (resid 30 and name   HN) (resid 30 and name  HD1) 0 -2.47 3.20
 assign (resid 30 and name   HN) (resid 30 and name  HE1) 0 -4.00 6.24
 assign (resid 30 and name   HN) (resid 31 and name   HN) 0 -4.00 5.73
 assign (resid 30 and name  HB1) (resid 31 and name   HN) 0 -2.20 4.39
 assign (resid 30 and name  HB2) (resid 31 and name   HN) 0 -2.20 4.39
 assign (resid 30 and name  HB#) (resid 31 and name   HN) 0 -2.38 3.99
 assign (resid 30 and name  HB#) (resid 44 and name   HA) 0 -3.12 7.14
 assign (resid 30 and name  HB#) (resid 45 and name   HN) 0 -2.88 6.65
 assign (resid 30 and name  HB#) (resid 46 and name   HA) 0 -2.64 6.25
 assign (resid 30 and name  HD1) (resid 31 and name   HN) 0 -4.00 6.94
 assign (resid 30 and name  HE3) (resid 31 and name   HN) 0 -3.58 5.34
 assign (resid 30 and name  HE3) (resid 44 and name   HN) 0 -4.00 200.00
 assign (resid 30 and name  HE3) (resid 44 and name   HA) 0 -3.77 5.21
 assign (resid 30 and name  HE3) (resid 45 and name   HN) 0 -2.89 3.88
 assign (resid 30 and name  HE3) (resid 45 and name   HA) 0 -2.51 3.32
 assign (resid 30 and name  HE3) (resid 46 and name   HN) 0 -2.56 3.62
 assign (resid 30 and name  HE3) (resid 46 and name   HA) 0 -2.75 3.78
 assign (resid 30 and name  HE3) (resid 46 and name  HB#) 0 -3.12 6.01
 assign (resid 30 and name  HE1) (resid 46 and name   HN) 0 -4.00 7.13
 assign (resid 30 and name  HE1) (resid 46 and name   HA) 0 -4.00 6.17
 assign (resid 30 and name  HE1) (resid 46 and name  HB1) 0 -4.00 6.91
 assign (resid 30 and name  HE1) (resid 46 and name  HB2) 0 -4.00 6.91
 assign (resid 30 and name  HE1) (resid 46 and name  HB#) 0 -1.78 6.67
 assign (resid 30 and name  HE1) (resid 46 and name  HG1) 0 -3.54 6.55
 assign (resid 30 and name  HE1) (resid 46 and name  HG2) 0 -3.54 6.55
 assign (resid 30 and name  HE1) (resid 46 and name  HG#) 0 -1.78 6.28
 assign (resid 30 and name  HE1) (resid 46 and name   CE) 0 -2.35 6.60
 assign (resid 30 and name  HE1) (resid 46 and name  HE#) 0 -2.54 6.41
 assign (resid 30 and name  HE1) (resid 47 and name   HN) 0 -4.00 7.16
 assign (resid 30 and name  HZ3) (resid 44 and name   HN) 0 -4.00 200.00
 assign (resid 30 and name  HZ3) (resid 44 and name   HA) 0 -4.00 6.84
 assign (resid 30 and name  HZ3) (resid 45 and name   HN) 0 -4.00 5.95
 assign (resid 30 and name  HZ3) (resid 45 and name   HA) 0 -2.39 3.52
 assign (resid 30 and name  HZ3) (resid 45 and name  HD#) 0 -3.12 7.14
 assign (resid 30 and name  HZ3) (resid 46 and name   HN) 0 -2.40 3.17
 assign (resid 30 and name  HZ3) (resid 46 and name   HA) 0 -3.45 4.86
 assign (resid 30 and name  HZ2) (resid 46 and name   HN) 0 -4.00 5.89
 assign (resid 30 and name  HZ2) (resid 46 and name  HB#) 0 -2.68 6.38
 assign (resid 30 and name  HZ2) (resid 46 and name  HG1) 0 -3.54 6.64
 assign (resid 30 and name  HZ2) (resid 46 and name  HG2) 0 -3.54 6.64
 assign (resid 30 and name  HZ2) (resid 46 and name  HG#) 0 -3.67 200.00
 assign (resid 30 and name  HZ2) (resid 46 and name   CD) 0 -1.78 6.21
 assign (resid 30 and name  HZ2) (resid 46 and name  HD#) 0 -1.79 6.02
 !31 GLU
 assign (resid 31 and name   HN) (resid 31 and name  HB#) 0 -2.33 200.00
 assign (resid 31 and name   HN) (resid 31 and name  HG#) 0 -2.00 5.08
 assign (resid 31 and name   HN) (resid 32 and name   HN) 0 -4.00 200.00
 assign (resid 31 and name   HN) (resid 44 and name   HA) 0 -3.85 5.16
 assign (resid 31 and name   HN) (resid 45 and name   HN) 0 -2.48 3.20
 assign (resid 31 and name   HN) (resid 46 and name   HA) 0 -3.30 4.78
 assign (resid 31 and name   HN) (resid 47 and name   HN) 0 -3.26 4.54
 assign (resid 31 and name   HN) (resid 47 and name  HG1) 0 -3.44 6.43
 assign (resid 31 and name   HN) (resid 47 and name  HG2) 0 -3.44 6.43
 assign (resid 31 and name   HN) (resid 47 and name  HG#) 0 -3.63 5.79
 assign (resid 31 and name  HB#) (resid 32 and name   HN) 0 -2.29 200.00
 assign (resid 31 and name  HG#) (resid 32 and name   HN) 0 -3.12 6.78
 assign (resid 31 and name  HG#) (resid 45 and name   HN) 0 -2.74 6.26
 assign (resid 31 and name  HG#) (resid 47 and name   HA) 0 -2.30 5.35
 assign (resid 31 and name  HG#) (resid 47 and name  HG#) 0 -1.82 7.39
 !32 LYS
 assign (resid 32 and name   HN) (resid 32 and name   HA) 0 -2.44 200.00
 assign (resid 32 and name   HN) (resid 32 and name  HB#) 0 -1.78 3.79
 assign (resid 32 and name   HN) (resid 33 and name   HN) 0 -3.64 5.35
 assign (resid 32 and name   HN) (resid 44 and name   HA) 0 -4.00 5.84
 assign (resid 32 and name   HA) (resid 33 and name   HN) 0 -1.78 2.42
 assign (resid 32 and name   HA) (resid 33 and name   HA) 0 -3.87 5.11
 assign (resid 32 and name   HA) (resid 34 and name   HN) 0 -3.12 4.57
 assign (resid 32 and name   HA) (resid 42 and name  HB#) 0 -3.12 6.64
 assign (resid 32 and name   HA) (resid 44 and name   HA) 0 -2.09 2.78
 assign (resid 32 and name   HA) (resid 44 and name  HB#) 0 -3.12 7.14
 assign (resid 32 and name  HB#) (resid 34 and name   HN) 0 -2.66 6.42
 assign (resid 32 and name  HG1) (resid 33 and name   HA) 0 -3.50 5.58
 assign (resid 32 and name  HG1) (resid 44 and name   HA) 0 -4.00 7.01
 assign (resid 32 and name  HG2) (resid 33 and name   HA) 0 -3.50 5.58
 assign (resid 32 and name  HG2) (resid 44 and name   HA) 0 -4.00 7.01
 assign (resid 32 and name  HG#) (resid 33 and name   HN) 0 -2.53 6.22
 assign (resid 32 and name  HG#) (resid 33 and name   HA) 0 -1.78 5.33
 assign (resid 32 and name  HG#) (resid 34 and name   HN) 0 -2.42 6.19
 assign (resid 32 and name  HG#) (resid 42 and name  HB#) 0 -1.90 7.65
 assign (resid 32 and name  HG#) (resid 44 and name   HA) 0 -1.78 6.51
 assign (resid 32 and name  HD1) (resid 42 and name  HB1) 0 -1.78 8.71
 assign (resid 32 and name  HD1) (resid 42 and name  HB2) 0 -1.78 8.71
 assign (resid 32 and name  HD2) (resid 42 and name  HB1) 0 -1.78 8.71
 assign (resid 32 and name  HD2) (resid 42 and name  HB2) 0 -1.78 8.71
 assign (resid 32 and name  HD#) (resid 42 and name  HB#) 0 -2.35 7.17
 assign (resid 32 and name  HE1) (resid 35 and name   HA) 0 -2.85 5.31
 assign (resid 32 and name  HE2) (resid 35 and name   HA) 0 -2.85 5.31
 assign (resid 32 and name  HE#) (resid 35 and name   HA) 0 -2.92 200.00
 !33 CYS
 assign (resid 33 and name   HN) (resid 33 and name   HA) 0 -2.79 200.00
 assign (resid 33 and name   HN) (resid 34 and name   HN) 0 -2.01 2.71
 assign (resid 33 and name   HN) (resid 43 and name  HB#) 0 -2.76 6.03
 assign (resid 33 and name   HA) (resid 34 and name   HN) 0 -2.94 200.00
 assign (resid 33 and name   HA) (resid 44 and name   HA) 0 -4.00 6.33
 assign (resid 33 and name   HA) (resid 45 and name  HB#) 0 -3.12 6.53
 assign (resid 33 and name  HB#) (resid 34 and name   HN) 0 -2.98 6.09
 assign (resid 33 and name  HB#) (resid 44 and name   HA) 0 -2.55 5.36
 !34 ALA
 assign (resid 34 and name   HN) (resid 35 and name   HN) 0 -4.00 5.48
 assign (resid 34 and name   HN) (resid 43 and name   HN) 0 -4.00 6.01
 assign (resid 34 and name   HN) (resid 43 and name  HB1) 0 -3.09 200.00
 assign (resid 34 and name   HN) (resid 43 and name  HB2) 0 -3.09 200.00
 assign (resid 34 and name   HN) (resid 43 and name  HB#) 0 -3.47 5.12
 assign (resid 34 and name   HN) (resid 44 and name   HA) 0 -4.00 5.46
 assign (resid 34 and name  HB#) (resid 35 and name   HN) 0 -2.47 200.00
 assign (resid 34 and name  HB#) (resid 37 and name  HB#) 0 -1.98 7.78
 assign (resid 34 and name  HB#) (resid 37 and name   CG) 0 -0.59 8.97
 assign (resid 34 and name  HB#) (resid 37 and name  HD#) 0 -1.89 7.67
 assign (resid 34 and name  HB#) (resid 43 and name  HB#) 0 -1.78 5.17
 !35 SER
 assign (resid 35 and name   HN) (resid 35 and name   HA) 0 -2.56 200.00
 assign (resid 35 and name   HN) (resid 35 and name  HB2) 0 -1.24 3.80
 assign (resid 35 and name   HN) (resid 36 and name   HN) 0 -2.67 4.24
 !36 TYR
 assign (resid 36 and name   HN) (resid 36 and name  HB#) 0 -1.78 3.67
 assign (resid 36 and name   HA) (resid 36 and name  HD#) 0 -1.78 5.86
 assign (resid 36 and name  HB1) (resid 36 and name  HE#) 0 -1.78 7.58
 assign (resid 36 and name  HB2) (resid 36 and name  HE#) 0 -1.78 7.58
 assign (resid 36 and name  HB#) (resid 36 and name  HD#) 0 -1.78 5.31
 assign (resid 36 and name  HB#) (resid 36 and name  HE#) 0 -1.78 7.40
 assign (resid 36 and name  HB#) (resid 36 and name  HD#) 0 -1.78 5.31
 assign (resid 36 and name   CG) (resid 39 and name   HN) 0 -1.78 8.69
 assign (resid 36 and name   CG) (resid 39 and name   HA) 0 -1.78 8.86
 assign (resid 36 and name  HD#) (resid 39 and name   HN) 0 -1.78 8.69
 assign (resid 36 and name  HD#) (resid 39 and name   HA) 0 -1.78 6.66
 assign (resid 36 and name  HE#) (resid 37 and name   HN) 0 -1.78 200.00
 assign (resid 36 and name  HE#) (resid 39 and name   HN) 0 -1.78 7.53
 assign (resid 36 and name  HE#) (resid 39 and name   HA) 0 -1.78 6.04
 assign (resid 36 and name  HE#) (resid 39 and name   HB) 0 -1.78 8.36
 assign (resid 36 and name  HE#) (resid 39 and name HG1#) 0 -1.78 9.32
 assign (resid 36 and name  HE#) (resid 39 and name HD1#) 0 -1.78 9.78
 assign (resid 36 and name   CZ) (resid 39 and name   HN) 0 -1.78 7.53
 assign (resid 36 and name   CZ) (resid 39 and name   HA) 0 -1.78 6.04
 assign (resid 36 and name   CZ) (resid 39 and name   HB) 0 -1.78 8.36
 assign (resid 36 and name   CZ) (resid 39 and name HG1#) 0 -1.78 9.32
 assign (resid 36 and name   CZ) (resid 39 and name HD1#) 0 -1.78 9.78
 !37 TYR
 assign (resid 37 and name   HN) (resid 38 and name   HN) 0 -2.76 3.80
 assign (resid 37 and name   HN) (resid 38 and name HG2#) 0 -2.90 200.00
 assign (resid 37 and name   HN) (resid 42 and name   HA) 0 -4.00 200.00
 assign (resid 37 and name  HB1) (resid 38 and name   HN) 0 -2.02 4.39
 assign (resid 37 and name  HB1) (resid 43 and name  HB1) 0 -1.78 6.50
 assign (resid 37 and name  HB1) (resid 43 and name  HB2) 0 -1.78 6.50
 assign (resid 37 and name  HB2) (resid 38 and name   HN) 0 -2.02 4.39
 assign (resid 37 and name  HB2) (resid 43 and name  HB1) 0 -1.78 6.50
 assign (resid 37 and name  HB2) (resid 43 and name  HB2) 0 -1.78 6.50
 assign (resid 37 and name  HB#) (resid 37 and name  HD#) 0 -1.78 5.55
 assign (resid 37 and name  HB#) (resid 38 and name   HN) 0 -2.49 3.56
 assign (resid 37 and name  HB#) (resid 38 and name HG2#) 0 -1.78 8.44
 assign (resid 37 and name  HB1) (resid 38 and name HG2#) 0 -2.90 200.00
 assign (resid 37 and name  HB2) (resid 38 and name HG2#) 0 -2.90 200.00
 assign (resid 37 and name  HB#) (resid 42 and name  HB#) 0 -2.45 7.85
 assign (resid 37 and name  HB#) (resid 43 and name   HN) 0 -2.35 5.20
 assign (resid 37 and name  HB#) (resid 43 and name  HB#) 0 -2.19 5.14
 assign (resid 37 and name   CG) (resid 42 and name   HN) 0 -1.78 7.70
 assign (resid 37 and name   CG) (resid 42 and name   HA) 0 -1.78 6.97
 assign (resid 37 and name   CG) (resid 42 and name  HB#) 0 -1.78 9.20
 assign (resid 37 and name   CG) (resid 43 and name   HN) 0 -1.78 7.48
 assign (resid 37 and name   CG) (resid 43 and name  HB#) 0 -1.78 6.69
 assign (resid 37 and name  HD#) (resid 38 and name HG2#) 0 -1.78 7.68
 assign (resid 37 and name  HD#) (resid 41 and name  HB#) 0 -1.78 6.51
 assign (resid 37 and name  HD#) (resid 42 and name   HN) 0 -1.78 5.50
 assign (resid 37 and name  HD#) (resid 42 and name   HA) 0 -1.78 4.77
 assign (resid 37 and name  HD#) (resid 42 and name  HB#) 0 -1.78 7.00
 assign (resid 37 and name  HD#) (resid 43 and name   HN) 0 -1.78 5.28
 assign (resid 37 and name  HD#) (resid 43 and name  HB#) 0 -1.78 4.49
 assign (resid 37 and name  HE#) (resid 38 and name HG2#) 0 -1.78 5.00
 assign (resid 37 and name  HE#) (resid 41 and name  HB#) 0 -1.78 5.41
 assign (resid 37 and name  HE#) (resid 42 and name   HA) 0 -1.78 7.16
 assign (resid 37 and name  HE#) (resid 43 and name   HN) 0 -1.78 7.51
 assign (resid 37 and name  HE#) (resid 43 and name  HB#) 0 -1.78 5.66
 assign (resid 37 and name   CZ) (resid 42 and name   HA) 0 -1.78 9.36
 assign (resid 37 and name   CZ) (resid 43 and name   HN) 0 -1.78 9.71
 assign (resid 37 and name   CZ) (resid 43 and name  HB#) 0 -1.78 7.86
 !38 THR
 assign (resid 38 and name   HN) (resid 38 and name   HA) 0 -2.71 200.00
 assign (resid 38 and name   HN) (resid 38 and name HG2#) 0 -2.16 200.00
 assign (resid 38 and name   HN) (resid 39 and name   HN) 0 -3.56 4.64
 assign (resid 38 and name   HN) (resid 42 and name   HN) 0 -4.00 6.03
 assign (resid 38 and name   HN) (resid 42 and name   HA) 0 -4.00 5.75
 assign (resid 38 and name   HN) (resid 43 and name   HN) 0 -4.00 6.76
 assign (resid 38 and name   HN) (resid 43 and name  HB#) 0 -1.78 7.68
 assign (resid 38 and name   HN) (resid 43 and name  HB1) 0 -4.00 200.00
 assign (resid 38 and name   HN) (resid 43 and name  HB2) 0 -4.00 200.00
 assign (resid 38 and name   HB) (resid 40 and name   HN) 0 -3.28 4.24
 assign (resid 38 and name HG2#) (resid 39 and name   HN) 0 -2.90 200.00
 assign (resid 38 and name HG2#) (resid 39 and name   HA) 0 -2.90 200.00
 assign (resid 38 and name HG2#) (resid 39 and name   HB) 0 -2.90 200.00
 assign (resid 38 and name HG2#) (resid 40 and name   HN) 0 -2.85 200.00
 assign (resid 38 and name HG2#) (resid 40 and name   HB) 0 -2.90 200.00
 !39 ILE
 assign (resid 39 and name   HN) (resid 39 and name   HA) 0 -2.43 200.00
 assign (resid 39 and name   HN) (resid 39 and name HG2#) 0 -1.78 4.57
 assign (resid 39 and name   HN) (resid 39 and name HG1#) 0 -2.09 3.76
 assign (resid 39 and name   HN) (resid 40 and name   HN) 0 -2.43 3.15
 assign (resid 39 and name   HN) (resid 40 and name HD1#) 0 -2.90 200.00
 assign (resid 39 and name   HN) (resid 41 and name   HN) 0 -3.72 5.23
 assign (resid 39 and name   HA) (resid 40 and name   HN) 0 -3.00 200.00
 assign (resid 39 and name   HB) (resid 40 and name   HN) 0 -3.39 4.49
 assign (resid 39 and name HG1#) (resid 40 and name   HN) 0 -3.10 6.39
 !40 ILE
 assign (resid 40 and name   HN) (resid 40 and name   HB) 0 -2.99 4.05
 assign (resid 40 and name   HN) (resid 40 and name HG1#) 0 -1.85 5.24
 assign (resid 40 and name   HN) (resid 41 and name   HN) 0 -2.06 2.70
 assign (resid 40 and name   HB) (resid 41 and name   HN) 0 -3.43 4.83
 assign (resid 40 and name HG2#) (resid 41 and name   HN) 0 -2.79 4.83
 !41 ALA
 assign (resid 41 and name  HB#) (resid 42 and name   HA) 0 -2.90 7.22
 !42 ASP
 assign (resid 42 and name   HN) (resid 42 and name   HA) 0 -2.86 200.00
 assign (resid 42 and name   HA) (resid 42 and name  HB1) 0 -2.28 200.00
 assign (resid 42 and name   HA) (resid 42 and name  HB2) 0 -2.28 200.00
 assign (resid 42 and name   HA) (resid 42 and name  HB#) 0 -2.43 200.00
 assign (resid 42 and name   HA) (resid 43 and name   HN) 0 -2.40 3.39
 assign (resid 42 and name   HA) (resid 43 and name  HB1) 0 -3.41 5.60
 assign (resid 42 and name   HA) (resid 43 and name  HB2) 0 -3.41 5.60
 assign (resid 42 and name   HA) (resid 43 and name  HB#) 0 -3.52 5.42
 assign (resid 42 and name  HB#) (resid 43 and name   HN) 0 -1.89 4.16
 assign (resid 42 and name  HB#) (resid 44 and name   HA) 0 -3.12 7.29
 !43 CYS
 assign (resid 43 and name   HN) (resid 43 and name  HB#) 0 -1.78 3.90
 assign (resid 43 and name   HN) (resid 44 and name   HA) 0 -4.00 6.17
 !45 ARG
 assign (resid 45 and name   HN) (resid 45 and name   HA) 0 -2.97 200.00
 assign (resid 45 and name   HN) (resid 46 and name   HN) 0 -3.93 5.24
 assign (resid 45 and name   HN) (resid 46 and name   HA) 0 -4.00 5.60
 assign (resid 45 and name   HA) (resid 45 and name  HD1) 0 -4.00 200.00
 assign (resid 45 and name   HA) (resid 45 and name  HD2) 0 -4.00 200.00
 assign (resid 45 and name   HA) (resid 46 and name  HB1) 0 -4.00 200.00
 assign (resid 45 and name   HA) (resid 46 and name  HB2) 0 -4.00 200.00
 assign (resid 45 and name   HA) (resid 45 and name  HG#) 0 -0.88 3.84
 assign (resid 45 and name   HA) (resid 45 and name  HG2) 0 -1.78 2.94
 assign (resid 45 and name   HA) (resid 46 and name  HB#) 0 -1.78 7.54
 assign (resid 45 and name  HB#) (resid 45 and name   HE) 0 -1.90 4.56
 assign (resid 45 and name  HD#) (resid 46 and name   HN) 0 -2.46 5.09
 !46 LYS
 assign (resid 46 and name   HA) (resid 46 and name  HG1) 0 -2.52 200.00
 assign (resid 46 and name   HA) (resid 46 and name  HG2) 0 -2.52 200.00
 assign (resid 46 and name   HA) (resid 46 and name  HG#) 0 -2.52 200.00
 assign (resid 46 and name   HN) (resid 46 and name  HB#) 0 -1.78 3.71
 assign (resid 46 and name   HA) (resid 46 and name  HD#) 0 -2.09 5.80
 assign (resid 46 and name   HA) (resid 47 and name   HA) 0 -3.91 5.68
 assign (resid 46 and name   HA) (resid 47 and name  HG#) 0 -3.12 7.32
 assign (resid 46 and name   HA) (resid 48 and name   HN) 0 -4.00 200.00
 assign (resid 46 and name   HB1) (resid 46 and name HE#) 0 -1.35 200.00
 assign (resid 46 and name   HB2) (resid 46 and name HE#) 0 -1.35 200.00
 assign (resid 46 and name   HB#) (resid 46 and name  CE) 0 -2.52 200.00
 !47 LYS
 assign (resid 47 and name   HA) (resid 47 and name  HG1) 0 -2.21 4.12
 assign (resid 47 and name   HA) (resid 47 and name  HG2) 0 -2.21 4.12
 assign (resid 47 and name   HA) (resid 47 and name  HG#) 0 -2.26 3.63
 assign (resid 47 and name   HA) (resid 47 and name   CE) 0 -2.91 7.40
 assign (resid 47 and name   HA) (resid 47 and name  HE#) 0 -3.10 7.21
 assign (resid 47 and name  HG1) (resid 47 and name  HE#) 0 -2.10 200.00 
 assign (resid 47 and name  HG2) (resid 47 and name  HE#) 0 -2.10 200.00 
 assign (resid 47 and name   HA) (resid 48 and name   HN) 0 -1.78 2.52
 assign (resid 47 and name  HG1) (resid 48 and name   HN) 0 -3.29 6.17
 assign (resid 47 and name  HG2) (resid 48 and name   HN) 0 -3.29 6.17
 assign (resid 47 and name  HG#) (resid 48 and name   HN) 0 -3.56 5.37
 !48 LYS
 assign (resid 48 and name   HN) (resid 48 and name   HA) 0 -2.43 200.00
 assign (resid 48 and name   HN) (resid 48 and name   H1) 0 -2.77 6.27
 assign (resid 48 and name   HA) (resid 48 and name   H1) 0 -1.78 4.43
 assign (resid 48 and name   HA) (resid 48 and name   H2) 0 -2.38 5.39
 assign (resid 48 and name   H1) (resid 48 and name   H2) 0 -1.78 2.90
 !1 ALA
 assign (resid  1 and name  HB#) (resid 21 and name   HN) 0 -1.78 6.10
 assign (resid  1 and name  HB#) (resid 21 and name  HG#) 0 -1.78 8.76
 assign (resid  1 and name  HB#) (resid 37 and name  HE#) 0 -1.78 8.30
 assign (resid  1 and name  HB#) (resid 37 and name   CZ) 0 -1.78 8.30
 assign (resid  1 and name  HB#) (resid 38 and name HG2#) 0 -1.78 7.20
 !2 ALA
 assign (resid  2 and name   HN) (resid 20 and name HG2#) 0 -1.78 6.10
 assign (resid  2 and name   HA) (resid 20 and name HG2#) 0 -1.78 6.10
 assign (resid  2 and name   HA) (resid 21 and name   HN) 0 -1.78 5.00
 assign (resid  2 and name  HB#) (resid 17 and name   HA) 0 -1.78 6.10
 assign (resid  2 and name  HB#) (resid 17 and name HD1#) 0 -1.78 7.20
 assign (resid  2 and name  HB#) (resid 17 and name HD2#) 0 -1.78 7.20
 !3 CYS
 assign (resid  3 and name   HN) (resid 17 and name  HB#) 0 -1.78 5.88
 assign (resid  3 and name   HN) (resid 21 and name  HG#) 0 -1.78 7.66
 assign (resid  3 and name  HB1) (resid 21 and name HG1#) 0 -1.78 7.85
 assign (resid  3 and name  HB1) (resid 21 and name HG2#) 0 -1.78 7.85
 assign (resid  3 and name  HB2) (resid 21 and name HG1#) 0 -1.78 7.85
 assign (resid  3 and name  HB2) (resid 21 and name HG2#) 0 -1.78 7.85
 assign (resid  3 and name  HB#) (resid  4 and name   HN) 0 -1.78 5.88
 assign (resid  3 and name  HB#) (resid 21 and name   HN) 0 -1.78 5.88
 assign (resid  3 and name  HB#) (resid 21 and name   HA) 0 -1.78 5.88
 assign (resid  3 and name  HB#) (resid 21 and name  HG#) 0 -1.78 6.33
 !4 LYS
 assign (resid  4 and name   HN) (resid 17 and name  HB#) 0 -1.78 5.88
 assign (resid  4 and name   HA) (resid 17 and name   HA) 0 -1.78 5.00
 assign (resid  4 and name   HA) (resid 18 and name   HN) 0 -1.78 5.00
 assign (resid  4 and name   HA) (resid 18 and name HG2#) 0 -1.78 6.10
 assign (resid  4 and name   HA) (resid 19 and name   HN) 0 -1.78 5.00
 assign (resid  4 and name   CB) (resid  8 and name   HN) 0 -1.78 6.09
 assign (resid  4 and name  HB#) (resid  4 and name  HE#) 0 -1.78 6.78
 assign (resid  4 and name  HB#) (resid  8 and name   HN) 0 -1.78 5.90
 assign (resid  4 and name   CG) (resid  8 and name   HN) 0 -1.78 6.09
 assign (resid  4 and name   CG) (resid 17 and name   HN) 0 -1.78 6.09
 assign (resid  4 and name   CG) (resid 17 and name   HA) 0 -1.78 6.09
 assign (resid  4 and name  HG#) (resid  8 and name   HN) 0 -1.78 5.90
 assign (resid  4 and name  HG#) (resid 17 and name   HN) 0 -1.78 5.90
 assign (resid  4 and name  HG#) (resid 17 and name   HA) 0 -1.78 5.90
 assign (resid  4 and name   CD) (resid 16 and name  HD#) 0 -1.78 6.97
 assign (resid  4 and name  HD#) (resid 16 and name  HD#) 0 -1.78 6.78
 !5 CYS
 assign (resid  5 and name   HN) (resid  8 and name  HG1) 0 -1.78 5.00
 assign (resid  5 and name   HN) (resid  8 and name  HG2) 0 -1.78 5.00
 assign (resid  5 and name  HB1) (resid  8 and name   HN) 0 -1.78 5.00
 assign (resid  5 and name  HB2) (resid  8 and name   HN) 0 -1.78 5.00
 assign (resid  5 and name  HB#) (resid  6 and name   HN) 0 -1.78 5.88
 assign (resid  5 and name  HB#) (resid  7 and name   HN) 0 -1.78 5.88
 assign (resid  5 and name  HB#) (resid  8 and name  HG#) 0 -1.78 6.75
 !6 ASP
 assign (resid  6 and name   HN) (resid 33 and name  HB#) 0 -1.78 5.88
 assign (resid  6 and name   HN) (resid 34 and name  HB#) 0 -1.78 6.10
 assign (resid  6 and name  HB#) (resid 34 and name  HB#) 0 -1.78 6.98
 !7 ASP
 assign (resid  7 and name   HN) (resid  8 and name  HB#) 0 -1.78 5.88
 assign (resid  7 and name   HN) (resid  8 and name  HG1) 0 -1.78 5.00
 assign (resid  7 and name   HN) (resid  8 and name  HG2) 0 -1.78 5.00
 !8 GLU
 assign (resid  8 and name   HN) (resid  8 and name  HG#) 0 -1.78 5.88
 assign (resid  8 and name  HB#) (resid 15 and name  HB#) 0 -1.78 6.98
 assign (resid  8 and name  HG#) (resid 18 and name HG2#) 0 -1.78 6.98
 !9 GLY
 assign (resid  9 and name  HA#) (resid 11 and name   HN) 0 -1.78 5.88
 !10 PRO
 assign (resid 10 and name  HG#) (resid 11 and name   HN) 0 -1.78 5.37
 !11 ASP
 assign (resid 11 and name   HN) (resid 12 and name   HN) 0 -1.78 5.00
 assign (resid 11 and name  HB1) (resid 13 and name   HN) 0 -1.78 5.00
 assign (resid 11 and name  HB2) (resid 13 and name   HN) 0 -1.78 5.00
 !12 ILE
 assign (resid 12 and name   HN) (resid 12 and name HG1#) 0 -1.78 5.90
 assign (resid 12 and name HG2#) (resid 13 and name   HN) 0 -1.78 6.10
 assign (resid 12 and name HG2#) (resid 13 and name   CG) 0 -1.78 7.19
 assign (resid 12 and name HG2#) (resid 13 and name  HG#) 0 -1.78 7.00
 assign (resid 12 and name HG2#) (resid 14 and name   HN) 0 -1.78 6.10
 assign (resid 12 and name HG1#) (resid 13 and name   HN) 0 -1.78 5.90
 !13 ARG
 assign (resid 13 and name   HN) (resid 14 and name   HA) 0 -1.78 5.00
 assign (resid 13 and name  HB#) (resid 13 and name   HE) 0 -1.78 5.88
 assign (resid 13 and name  HB#) (resid 14 and name HG2#) 0 -1.78 6.98
 !15 ALA
 assign (resid 15 and name  HB#) (resid 17 and name   HN) 0 -1.78 6.10
 !16 PRO
 assign (resid 16 and name   HA) (resid 17 and name   HA) 0 -1.78 5.00
 assign (resid 16 and name  HB#) (resid 17 and name   HA) 0 -1.78 5.88
 assign (resid 16 and name  HB#) (resid 18 and name HG2#) 0 -1.78 6.98
 assign (resid 16 and name  HG1) (resid 18 and name HG2#) 0 -1.78 6.10
 assign (resid 16 and name  HG2) (resid 18 and name HG2#) 0 -1.78 6.10
 assign (resid 16 and name  HG#) (resid 17 and name   HN) 0 -1.78 5.37
 assign (resid 16 and name  HD#) (resid 18 and name HG2#) 0 -1.78 6.98
 !17 LEU
 assign (resid 17 and name   HN) (resid 17 and name  HD#) 0 -1.78 7.67
 assign (resid 17 and name   HN) (resid 18 and name HG2#) 0 -1.78 6.10
 assign (resid 17 and name   HN) (resid 19 and name   HN) 0 -1.78 5.00
 assign (resid 17 and name   HA) (resid 18 and name HG2#) 0 -1.78 6.10
 assign (resid 17 and name  HB1) (resid 19 and name   HN) 0 -1.78 5.00
 assign (resid 17 and name  HB2) (resid 19 and name   HN) 0 -1.78 5.00
 assign (resid 17 and name HD1#) (resid 19 and name   HN) 0 -1.78 6.10
 assign (resid 17 and name HD2#) (resid 19 and name   HN) 0 -1.78 6.10
 !18 THR
 assign (resid 18 and name   HB) (resid 45 and name  HD#) 0 -1.78 5.88
 !19 GLY
 assign (resid 19 and name  HA#) (resid 44 and name   HN) 0 -1.78 5.88
 !20 THR
 assign (resid 20 and name   HN) (resid 44 and name  HB1) 0 -1.78 5.00
 assign (resid 20 and name   HN) (resid 44 and name  HB2) 0 -1.78 5.00
 assign (resid 20 and name   HB) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 20 and name   HB) (resid 44 and name  HB#) 0 -1.78 5.88
 assign (resid 20 and name HG2#) (resid 21 and name  HG#) 0 -1.78 8.76
 assign (resid 20 and name HG2#) (resid 46 and name   HN) 0 -1.78 6.10
 !21 VAL
 assign (resid 21 and name   HA) (resid 22 and name  HB#) 0 -1.78 5.88
 assign (resid 21 and name  HG#) (resid 22 and name  HB#) 0 -1.78 8.54
 assign (resid 21 and name  HG#) (resid 23 and name  HB#) 0 -1.78 8.54
 assign (resid 21 and name  HG#) (resid 23 and name  HD#) 0 -1.78 10.33
 assign (resid 21 and name  HG#) (resid 40 and name HG2#) 0 -1.78 8.76
 assign (resid 21 and name  HG#) (resid 41 and name  HB#) 0 -1.78 8.76
 assign (resid 21 and name  HG#) (resid 42 and name   HN) 0 -1.78 7.66
 !22 ASP
 assign (resid 22 and name   HN) (resid 42 and name   HN) 0 -1.78 5.00
 assign (resid 22 and name  HB1) (resid 23 and name   HN) 0 -1.78 5.00
 assign (resid 22 and name  HB2) (resid 23 and name   HN) 0 -1.78 5.00
 !23 LEU
 assign (resid 23 and name   HN) (resid 23 and name  HD#) 0 -1.78 7.67
 assign (resid 23 and name  HD#) (resid 24 and name   HN) 0 -1.78 7.67
 assign (resid 23 and name  HD#) (resid 37 and name   CG) 0 -1.78 9.87
 assign (resid 23 and name  HD#) (resid 37 and name  HD#) 0 -1.78 9.87
 !24 GLY
 assign (resid 24 and name   HN) (resid 41 and name  HB#) 0 -1.78 6.10
 !26 CYS
 assign (resid 26 and name   HN) (resid 42 and name  HB1) 0 -1.78 5.00
 assign (resid 26 and name   HN) (resid 42 and name  HB2) 0 -1.78 5.00
 !27 ASN
 assign (resid 27 and name  HB#) (resid 28 and name  HB#) 0 -1.78 6.98
 assign (resid 27 and name  HB#) (resid 30 and name  HD1) 0 -1.78 5.88
 !28 ALA
 assign (resid 28 and name   HN) (resid 30 and name   HN) 0 -1.78 5.00
 assign (resid 28 and name  HB#) (resid 30 and name   HN) 0 -1.78 6.10
 !29 GLY
 assign (resid 29 and name   HN) (resid 47 and name   CD) 0 -1.78 6.09
 assign (resid 29 and name   HN) (resid 47 and name  HD#) 0 -1.78 5.90
 assign (resid 29 and name  HA1) (resid 30 and name  HD1) 0 -1.78 5.00
 assign (resid 29 and name  HA2) (resid 30 and name  HD1) 0 -1.78 5.00
 !30 TRP
 assign (resid 30 and name   HN) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid 30 and name   HA) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 30 and name   HA) (resid 46 and name   HA) 0 -1.78 5.00
 assign (resid 30 and name   HA) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 30 and name  HE3) (resid 44 and name  HB#) 0 -1.78 5.88
 assign (resid 30 and name  HZ3) (resid 44 and name  HB#) 0 -1.78 5.88
 assign (resid 30 and name  HZ2) (resid 46 and name   CE) 0 -1.78 6.09
 assign (resid 30 and name  HZ2) (resid 46 and name  HE#) 0 -1.78 5.90
 !31 GLU
 assign (resid 31 and name   HN) (resid 31 and name  HG#) 0 -1.78 5.88
 assign (resid 31 and name   HN) (resid 44 and name  HB#) 0 -1.78 5.88
 assign (resid 31 and name   HN) (resid 47 and name   HA) 0 -1.78 5.00
 assign (resid 31 and name  HG#) (resid 32 and name   HN) 0 -1.78 5.88
 assign (resid 31 and name  HG#) (resid 45 and name   HN) 0 -1.78 5.88
 assign (resid 31 and name  HG#) (resid 47 and name   HA) 0 -1.78 5.88
 !32 LYS
 assign (resid 32 and name   HN) (resid 32 and name  HG1) 0 -1.78 5.00
 assign (resid 32 and name   HN) (resid 32 and name  HG2) 0 -1.78 5.00
 assign (resid 32 and name   HN) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 32 and name   HA) (resid 33 and name  HB#) 0 -1.78 5.88
 assign (resid 32 and name   HA) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 32 and name  HB1) (resid 44 and name   HA) 0 -1.78 5.00
 assign (resid 32 and name  HB2) (resid 44 and name   HA) 0 -1.78 5.00
 assign (resid 32 and name  HB#) (resid 33 and name   HN) 0 -1.78 5.88
 assign (resid 32 and name  HG#) (resid 33 and name   HN) 0 -1.78 5.88
 assign (resid 32 and name  HG#) (resid 34 and name   HN) 0 -1.78 5.88
 assign (resid 32 and name  HG#) (resid 35 and name   HA) 0 -1.78 5.88
 assign (resid 32 and name  HD#) (resid 34 and name   HN) 0 -1.78 5.88
 assign (resid 32 and name  HE#) (resid 34 and name   HN) 0 -1.78 5.88
 !33 CYS
 assign (resid 33 and name   HN) (resid 34 and name  HB#) 0 -1.78 6.10
 assign (resid 33 and name   HN) (resid 43 and name   HN) 0 -1.78 5.00
 assign (resid 33 and name   HN) (resid 44 and name   HN) 0 -1.78 5.00
 assign (resid 33 and name   HN) (resid 44 and name   HA) 0 -1.78 5.00
 assign (resid 33 and name   HN) (resid 44 and name  HB#) 0 -1.78 5.88
 assign (resid 33 and name   HA) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 33 and name  HB#) (resid 34 and name   HN) 0 -1.78 5.88
 assign (resid 33 and name  HB#) (resid 45 and name   HN) 0 -1.78 5.88
 assign (resid 33 and name  HB#) (resid 45 and name   HE) 0 -1.78 5.88
 !34 ALA
 assign (resid 34 and name  HB#) (resid 36 and name   HN) 0 -1.78 6.10
 assign (resid 34 and name  HB#) (resid 37 and name  HE#) 0 -1.78 8.30
 assign (resid 34 and name  HB#) (resid 37 and name   CZ) 0 -1.78 8.30
 assign (resid 34 and name  HB#) (resid 42 and name   HA) 0 -1.78 6.10
 assign (resid 34 and name  HB#) (resid 43 and name   HN) 0 -1.78 6.10
 !35 SER
 assign (resid 35 and name   CB) (resid 36 and name  HB#) 0 -1.78 6.97
 assign (resid 35 and name  HB#) (resid 36 and name  HB#) 0 -1.78 6.78
 !36 TYR
 assign (resid 36 and name   HN) (resid 37 and name   HN) 0 -1.78 5.00
 assign (resid 36 and name  HB1) (resid 37 and name   HN) 0 -1.78 5.00
 assign (resid 36 and name  HB2) (resid 37 and name   HN) 0 -1.78 5.00
 assign (resid 36 and name   CG) (resid 37 and name   HN) 0 -1.78 7.20
 assign (resid 36 and name   CG) (resid 38 and name   HA) 0 -1.78 7.20
 assign (resid 36 and name   CG) (resid 41 and name  HB#) 0 -1.78 8.30
 assign (resid 36 and name  HD#) (resid 37 and name   HN) 0 -1.78 7.20
 assign (resid 36 and name  HD#) (resid 38 and name   HA) 0 -1.78 7.20
 assign (resid 36 and name  HD#) (resid 41 and name  HB#) 0 -1.78 8.30
 assign (resid 36 and name  HE#) (resid 41 and name  HB#) 0 -1.78 8.30
 assign (resid 36 and name   CZ) (resid 41 and name  HB#) 0 -1.78 8.30
 !37 TYR
 assign (resid 37 and name   HN) (resid 37 and name  HD#) 0 -1.78 7.20
 assign (resid 37 and name  HB#) (resid 42 and name   HA) 0 -1.78 5.88
 assign (resid 37 and name  HB#) (resid 43 and name   HN) 0 -1.78 5.88
 assign (resid 37 and name   CG) (resid 38 and name   HN) 0 -1.78 7.20
 assign (resid 37 and name   CG) (resid 38 and name   HA) 0 -1.78 7.20
 assign (resid 37 and name  HD#) (resid 38 and name   HN) 0 -1.78 7.20
 assign (resid 37 and name  HD#) (resid 38 and name   HA) 0 -1.78 7.20
 assign (resid 37 and name  HE#) (resid 38 and name   HN) 0 -1.78 7.20
 assign (resid 37 and name  HE#) (resid 41 and name   HN) 0 -1.78 7.20
 assign (resid 37 and name   CZ) (resid 38 and name   HN) 0 -1.78 7.20
 assign (resid 37 and name   CZ) (resid 41 and name   HN) 0 -1.78 7.20
 !38 THR
 assign (resid 38 and name   HN) (resid 41 and name  HB#) 0 -1.78 6.10
 assign (resid 38 and name   HA) (resid 39 and name HG1#) 0 -1.78 5.90
 assign (resid 38 and name   HB) (resid 39 and name   HN) 0 -1.78 5.00
 assign (resid 38 and name HG2#) (resid 39 and name HG2#) 0 -1.78 7.20
 assign (resid 38 and name HG2#) (resid 41 and name   HN) 0 -1.78 6.10
 assign (resid 38 and name HG2#) (resid 41 and name  HB#) 0 -1.78 7.20
 !39 ILE
 assign (resid 39 and name   HN) (resid 39 and name HD1#) 0 -1.78 6.10
 assign (resid 39 and name   HN) (resid 40 and name HG2#) 0 -1.78 6.10
 assign (resid 39 and name   HA) (resid 41 and name   HN) 0 -1.78 5.00
 assign (resid 39 and name HG2#) (resid 40 and name   HN) 0 -1.78 6.10
 assign (resid 39 and name HG2#) (resid 41 and name   HN) 0 -1.78 6.10
 !40 ILE
 assign (resid 40 and name   HN) (resid 40 and name HG1#) 0 -1.78 5.90
 assign (resid 40 and name   HN) (resid 40 and name HD1#) 0 -1.78 6.10
 assign (resid 40 and name   HN) (resid 41 and name  HB#) 0 -1.78 6.10
 assign (resid 40 and name HG1#) (resid 41 and name   HN) 0 -1.78 5.90
 !41 ALA
 assign (resid 41 and name   HN) (resid 42 and name   HN) 0 -1.78 5.00
 !42 ASP
 assign (resid 42 and name   HN) (resid 43 and name   HN) 0 -1.78 5.00
 assign (resid 42 and name  HB#) (resid 43 and name  HB#) 0 -1.78 6.75
 !43 CYS
 assign (resid 43 and name  HB#) (resid 44 and name   HN) 0 -1.78 5.88
 !44 CYS
 assign (resid 44 and name   HN) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 44 and name   HA) (resid 45 and name  HB#) 0 -1.78 5.88
 assign (resid 44 and name  HB1) (resid 45 and name   HN) 0 -1.78 5.00
 assign (resid 44 and name  HB2) (resid 45 and name   HN) 0 -1.78 5.00
 !45 ARG
 assign (resid 45 and name   HA) (resid 45 and name   HE) 0 -1.78 5.00
 assign (resid 45 and name   CG) (resid 46 and name   HN) 0 -1.78 6.09
 assign (resid 45 and name  HG#) (resid 46 and name   HN) 0 -1.78 5.90
 assign (resid 45 and name  HD1) (resid 48 and name   H2) 0 -1.78 6.80
 assign (resid 45 and name  HD2) (resid 48 and name   H2) 0 -1.78 6.80
 !46 LYS
 assign (resid 46 and name   HN) (resid 46 and name  HG#) 0 -1.78 5.88
 assign (resid 46 and name  HB#) (resid 46 and name  HE#) 0 -1.78 6.78
 assign (resid 46 and name  HG1) (resid 47 and name   HN) 0 -1.78 5.00
 assign (resid 46 and name  HG2) (resid 47 and name   HN) 0 -1.78 5.00
 !47 LYS
 assign (resid 47 and name   HN) (resid 47 and name  HG1) 0 -1.78 5.00
 assign (resid 47 and name   HN) (resid 47 and name  HG2) 0 -1.78 5.00
 assign (resid 47 and name   HN) (resid 47 and name   CD) 0 -1.78 6.09
 assign (resid 47 and name   HN) (resid 47 and name  HD#) 0 -1.78 5.90
 assign (resid 47 and name   HN) (resid 48 and name   HN) 0 -1.78 5.00
 assign (resid 47 and name   HA) (resid 47 and name  HD#) 0 -1.78 5.90
 assign (resid 47 and name  HB#) (resid 47 and name  HE#) 0 -1.78 6.78
 assign (resid 47 and name  HB#) (resid 48 and name   HN) 0 -1.78 5.88
 !48 LYS
 assign (resid 48 and name   HN) (resid 48 and name  HG#) 0 -1.78 5.88
! HYDROGEN BONDS 
 assign (resid 31 and name   HN) (resid 45 and name    O) 0 -1.80 2.20
 assign (resid 31 and name    N) (resid 45 and name    O) 0 -2.70 3.20
 assign (resid 31 and name    O) (resid 45 and name   HN) 0 -1.80 2.20
 assign (resid 31 and name    O) (resid 45 and name    N) 0 -2.70 3.20
 assign (resid 20 and name    O) (resid 44 and name   HN) 0 -1.80 2.20
 assign (resid 20 and name    O) (resid 44 and name    N) 0 -2.70 3.20
! DISULPHIDE BONDS
   assign (resid  3 and name sg) (resid 43 and name sg)  2.02 0.1 0.1
   assign (resid  3 and name cb) (resid 43 and name sg)  3.20 0.1 0.1
   assign (resid  3 and name sg) (resid 43 and name cb)  3.20 0.1 0.1
   assign (resid  5 and name sg) (resid 33 and name sg)  2.02 0.1 0.1
   assign (resid  5 and name cb) (resid 33 and name sg)  3.20 0.1 0.1
   assign (resid  5 and name cb) (resid 33 and name sg)  3.20 0.1 0.1
   assign (resid 26 and name sg) (resid 44 and name sg)  2.02 0.1 0.1
   assign (resid 26 and name cb) (resid 44 and name sg)  3.20 0.1 0.1
   assign (resid 26 and name sg) (resid 44 and name cb)  3.20 0.1 0.1
! DIHEDRAL ANGLES
        dihedral

        reset
!Phi angles
                assign (resid  13 and name c) (resid  14 and name  n)
                  (resid 14 and name ca) (resid 14 and name c)  1 -120.0 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 -120.0 30.0 2
                assign (resid 30 and name c) (resid 31 and name  n)
                  (resid  31 and name ca) (resid 31 and name c)  1 -120.0 30.0 2
                assign (resid 39 and name c) (resid 40 and name  n)
                  (resid 40 and name ca) (resid 40 and name c)  1 -120.0 30.0 2
                assign (resid 44 and name c) (resid 45 and name  n)
                  (resid 45 and name ca) (resid 45 and name c)  1 -120.0 30.0 2
                assign (resid 21 and name c) (resid 22 and name  n)
                  (resid 22 and name ca) (resid 22 and name c)  1 -120.0 20.0 2
                assign (resid 29 and name c) (resid 30 and name  n)
                  (resid 30 and name ca) (resid 30 and name c)  1 -120.0 20.0 2
                assign (resid 32 and name c) (resid 33 and name n)
                  (resid 33 and name ca) (resid 33 and name c)  1 -120.0 20.0 2
                assign (resid 33 and name c) (resid 34 and name n)
                  (resid 34 and name ca) (resid 34 and name c)  1 -120.0 20.0 2
                assign (resid 41 and name c) (resid 42 and name  n)
                  (resid 42 and name ca) (resid 42 and name c)  1 -120.0 20.0 2
                assign (resid 43 and name c) (resid 44 and name  n)
                  (resid 44 and name ca) (resid 44 and name c)  1 -120.0 20.0 2
                assign (resid 12 and name c) (resid 13 and name  n)
                  (resid 13 and name ca) (resid 13 and name c)  1 -60.0 30.0 2
                assign (resid 27 and name c) (resid 28 and name  n)
                  (resid 28 and name ca) (resid 28 and name c)  1 -60.0 30.0 2
!Chi angles
                assign (resid 20 and name n) (resid 20 and name  ca)
                  (resid 20 and name cb) (resid 20 and name og1)  1 -60.0 30.0 2
                assign (resid 21 and name n) (resid 21 and name  ca)
                  (resid 21 and name cb) (resid 21 and name cg1)  1 180.0 20.0 2
        end

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ALA   1          2H        ALA   1   3.348  -2.641  -2.641
    2   2H    ALA   1          1H        ALA   1   4.418  -3.359  -3.359
    3   3H    ALA   1          3H        ALA   1   4.829  -3.279  -3.279
    4    HA   ALA   1           HA       ALA   1   5.204  -0.995  -0.995
    5   1HB   ALA   1          1HB       ALA   1   6.235  -2.545  -2.545
    6   2HB   ALA   1          3HB       ALA   1   6.502  -0.801  -0.801
    7   3HB   ALA   1          2HB       ALA   1   7.121  -1.789  -1.789
    8    H    ALA   2           H        ALA   2   3.188   0.139   0.139
    9    HA   ALA   2           HA       ALA   2   1.485   0.471   0.471
   10   1HB   ALA   2          2HB       ALA   2   2.184   2.025   2.025
   11   2HB   ALA   2          1HB       ALA   2   1.801   3.080   3.080
   12   3HB   ALA   2          3HB       ALA   2   0.627   1.882   1.882
   13    H    CYS   3           H        CYS   3   1.603   1.435   1.435
   14    HA   CYS   3           HA       CYS   3   3.899   3.235   3.235
   15   1HB   CYS   3          2HB       CYS   3   4.516   2.014   2.014
   16   2HB   CYS   3          1HB       CYS   3   4.489   0.864   0.864
   17    H    LYS   4           H        LYS   4   0.714   3.015   3.015
   18    HA   LYS   4           HA       LYS   4  -1.038   4.119   4.119
   19   1HB   LYS   4          2HB       LYS   4   1.288   5.755   5.755
   20   2HB   LYS   4          1HB       LYS   4   0.428   5.805   5.805
   21   1HG   LYS   4          2HG       LYS   4  -1.680   6.059   6.059
   22   2HG   LYS   4          1HG       LYS   4  -0.448   6.743   6.743
   23   1HD   LYS   4          2HD       LYS   4  -1.520   8.482   8.482
   24   2HD   LYS   4          1HD       LYS   4   0.206   8.336   8.336
   25   1HE   LYS   4          2HE       LYS   4  -1.275   6.489   6.489
   26   2HE   LYS   4          1HE       LYS   4  -1.909   8.122   8.122
   27   1HZ   LYS   4          1HZ       LYS   4   0.616   8.710   8.710
   28   2HZ   LYS   4          3HZ       LYS   4   0.776   7.086   7.086
   29   3HZ   LYS   4          2HZ       LYS   4  -0.191   8.138   8.138
   30    H    CYS   5           H        CYS   5  -1.849   4.610   4.610
   31    HA   CYS   5           HA       CYS   5  -1.331   2.212   2.212
   32   1HB   CYS   5          2HB       CYS   5  -3.610   3.157   3.157
   33   2HB   CYS   5          1HB       CYS   5  -3.060   4.631   4.631
   34    H    ASP   6           H        ASP   6  -0.671   2.315   2.315
   35    HA   ASP   6           HA       ASP   6   1.708   3.758   3.758
   36   1HB   ASP   6          2HB       ASP   6   0.605   1.760   1.760
   37   2HB   ASP   6          1HB       ASP   6  -0.074   3.051   3.051
   38    H    ASP   7           H        ASP   7  -1.613   4.753   4.753
   39    HA   ASP   7           HA       ASP   7  -0.801   7.517   7.517
   40   1HB   ASP   7          2HB       ASP   7  -2.007   7.768   7.768
   41   2HB   ASP   7          1HB       ASP   7  -0.502   6.852   6.852
   42    H    GLU   8           H        GLU   8  -2.197   7.105   7.105
   43    HA   GLU   8           HA       GLU   8  -5.082   6.838   6.838
   44   1HB   GLU   8          2HB       GLU   8  -3.332   6.591   6.591
   45   2HB   GLU   8          1HB       GLU   8  -4.727   7.608   7.608
   46   1HG   GLU   8          2HG       GLU   8  -5.511   5.289   5.289
   47   2HG   GLU   8          1HG       GLU   8  -4.683   4.805   4.805
   48    H    GLY   9           H        GLY   9  -2.805   9.331   9.331
   49   1HA   GLY   9          2HA       GLY   9  -4.505  11.408  11.408
   50   2HA   GLY   9          1HA       GLY   9  -4.493  11.435  11.435
   51    HA   PRO  10           HA       PRO  10  -0.745  13.721  13.721
   52   1HB   PRO  10          2HB       PRO  10  -1.557  16.223  16.223
   53   2HB   PRO  10          1HB       PRO  10  -1.926  15.520  15.520
   54   1HG   PRO  10          2HG       PRO  10  -3.710  15.940  15.940
   55   2HG   PRO  10          1HG       PRO  10  -4.108  15.859  15.859
   56   1HD   PRO  10          2HD       PRO  10  -4.479  13.791  13.791
   57   2HD   PRO  10          1HD       PRO  10  -4.600  13.629  13.629
   58    H    ASP  11           H        ASP  11  -1.959  15.791  15.791
   59    HA   ASP  11           HA       ASP  11  -0.956  16.309  16.309
   60   1HB   ASP  11          2HB       ASP  11  -1.042  13.292  13.292
   61   2HB   ASP  11          1HB       ASP  11  -1.095  14.484  14.484
   62    H    ILE  12           H        ILE  12   0.814  14.588  14.588
   63    HA   ILE  12           HA       ILE  12   3.073  13.637  13.637
   64    HB   ILE  12           HB       ILE  12   3.396  15.775  15.775
   65   1HG1  ILE  12          2HG1      ILE  12   5.311  16.405  16.405
   66   2HG1  ILE  12          1HG1      ILE  12   5.257  14.665  14.665
   67   1HG2  ILE  12          3HG2      ILE  12   1.924  16.852  16.852
   68   2HG2  ILE  12          2HG2      ILE  12   3.502  17.206  17.206
   69   3HG2  ILE  12          1HG2      ILE  12   3.088  17.830  17.830
   70   1HD1  ILE  12          1HD1      ILE  12   5.207  16.258  16.258
   71   2HD1  ILE  12          3HD1      ILE  12   6.681  16.468  16.468
   72   3HD1  ILE  12          2HD1      ILE  12   6.196  14.857  14.857
   73    H    ARG  13           H        ARG  13   2.366  15.927  15.927
   74    HA   ARG  13           HA       ARG  13   4.235  14.445  14.445
   75   1HB   ARG  13          2HB       ARG  13   3.761  16.225  16.225
   76   2HB   ARG  13          1HB       ARG  13   4.201  16.922  16.922
   77   1HG   ARG  13          2HG       ARG  13   2.109  17.765  17.765
   78   2HG   ARG  13          1HG       ARG  13   1.312  16.385  16.385
   79   1HD   ARG  13          2HD       ARG  13   1.420  17.299  17.299
   80   2HD   ARG  13          1HD       ARG  13   2.905  18.186  18.186
   81    HE   ARG  13           HE       ARG  13   1.393  19.713  19.713
   82   1HH1  ARG  13          1HH2      ARG  13   0.927  18.749  18.749
   83   2HH1  ARG  13          2HH2      ARG  13  -0.676  19.388  19.388
   84   1HH2  ARG  13          2HH1      ARG  13  -0.967  20.154  20.154
   85   2HH2  ARG  13          1HH1      ARG  13  -1.748  20.184  20.184
   86    H    THR  14           H        THR  14   0.878  14.547  14.547
   87    HA   THR  14           HA       THR  14   0.307  12.945  12.945
   88    HB   THR  14           HB       THR  14  -0.901  15.125  15.125
   89    HG1  THR  14           HG1      THR  14  -1.924  13.431  13.431
   90   1HG2  THR  14          2HG2      THR  14  -1.311  14.270  14.270
   91   2HG2  THR  14          1HG2      THR  14  -2.862  14.582  14.582
   92   3HG2  THR  14          3HG2      THR  14  -1.631  15.844  15.844
   93    H    ALA  15           H        ALA  15  -1.793  11.537  11.537
   94    HA   ALA  15           HA       ALA  15  -2.534  10.632  10.632
   95   1HB   ALA  15          1HB       ALA  15   0.147   9.641   9.641
   96   2HB   ALA  15          3HB       ALA  15  -0.947   8.460   8.460
   97   3HB   ALA  15          2HB       ALA  15  -0.496   9.908   9.908
   98    HA   PRO  16           HA       PRO  16  -4.852   8.082   8.082
   99   1HB   PRO  16          2HB       PRO  16  -6.254   6.716   6.716
  100   2HB   PRO  16          1HB       PRO  16  -6.575   8.405   8.405
  101   1HG   PRO  16          2HG       PRO  16  -5.268   7.284   7.284
  102   2HG   PRO  16          1HG       PRO  16  -6.133   8.813   8.813
  103   1HD   PRO  16          2HD       PRO  16  -3.309   8.460   8.460
  104   2HD   PRO  16          1HD       PRO  16  -4.183   9.948   9.948
  105    H    LEU  17           H        LEU  17  -2.191   7.055   7.055
  106    HA   LEU  17           HA       LEU  17  -1.081   5.007   5.007
  107   1HB   LEU  17          2HB       LEU  17  -2.416   5.125   5.125
  108   2HB   LEU  17          1HB       LEU  17  -1.966   3.497   3.497
  109    HG   LEU  17           HG       LEU  17   0.342   4.367   4.367
  110   1HD1  LEU  17          2HD1      LEU  17  -0.897   6.842   6.842
  111   2HD1  LEU  17          1HD1      LEU  17   0.018   6.705   6.705
  112   3HD1  LEU  17          3HD1      LEU  17   0.844   6.566   6.566
  113   1HD2  LEU  17          2HD2      LEU  17  -0.709   3.495   3.495
  114   2HD2  LEU  17          1HD2      LEU  17   0.997   3.886   3.886
  115   3HD2  LEU  17          3HD2      LEU  17  -0.099   5.073   5.073
  116    H    THR  18           H        THR  18  -2.946   4.879   4.879
  117    HA   THR  18           HA       THR  18  -4.745   2.588   2.588
  118    HB   THR  18           HB       THR  18  -5.257   3.063   3.063
  119    HG1  THR  18           HG1      THR  18  -3.639   4.393   4.393
  120   1HG2  THR  18          2HG2      THR  18  -6.230   4.082   4.082
  121   2HG2  THR  18          1HG2      THR  18  -6.108   5.473   5.473
  122   3HG2  THR  18          3HG2      THR  18  -7.064   4.070   4.070
  123    H    GLY  19           H        GLY  19  -1.706   2.386   2.386
  124   1HA   GLY  19          2HA       GLY  19  -1.633   0.265   0.265
  125   2HA   GLY  19          1HA       GLY  19  -0.267   1.353   1.353
  126    H    THR  20           H        THR  20  -0.644  -1.664  -1.664
  127    HA   THR  20           HA       THR  20   0.508  -1.739  -1.739
  128    HB   THR  20           HB       THR  20  -1.278  -3.890  -3.890
  129    HG1  THR  20           HG1      THR  20  -2.738  -2.410  -2.410
  130   1HG2  THR  20          1HG2      THR  20   0.530  -3.961  -3.961
  131   2HG2  THR  20          3HG2      THR  20  -0.992  -3.606  -3.606
  132   3HG2  THR  20          2HG2      THR  20  -0.848  -5.046  -5.046
  133    H    VAL  21           H        VAL  21   2.423  -2.847  -2.847
  134    HA   VAL  21           HA       VAL  21   3.323  -4.221  -4.221
  135    HB   VAL  21           HB       VAL  21   4.856  -3.091  -3.091
  136   1HG1  VAL  21          3HG1      VAL  21   5.846  -5.215  -5.215
  137   2HG1  VAL  21          2HG1      VAL  21   5.950  -4.432  -4.432
  138   3HG1  VAL  21          1HG1      VAL  21   6.881  -3.804  -3.804
  139   1HG2  VAL  21          3HG2      VAL  21   3.874  -1.593  -1.593
  140   2HG2  VAL  21          2HG2      VAL  21   5.592  -1.421  -1.421
  141   3HG2  VAL  21          1HG2      VAL  21   5.073  -2.348  -2.348
  142    H    ASP  22           H        ASP  22   3.174  -6.406  -6.406
  143    HA   ASP  22           HA       ASP  22   3.379  -7.769  -7.769
  144   1HB   ASP  22          2HB       ASP  22   1.220  -7.951  -7.951
  145   2HB   ASP  22          1HB       ASP  22   2.171  -8.993  -8.993
  146    H    LEU  23           H        LEU  23   5.296  -8.797  -8.797
  147    HA   LEU  23           HA       LEU  23   7.193  -9.186  -9.186
  148   1HB   LEU  23          2HB       LEU  23   7.044  -9.668  -9.668
  149   2HB   LEU  23          1HB       LEU  23   7.785 -11.046 -11.046
  150    HG   LEU  23           HG       LEU  23   9.542  -9.474  -9.474
  151   1HD1  LEU  23          3HD1      LEU  23   9.100 -10.470 -10.470
  152   2HD1  LEU  23          2HD1      LEU  23   9.228  -8.746  -8.746
  153   3HD1  LEU  23          1HD1      LEU  23  10.553  -9.582  -9.582
  154   1HD2  LEU  23          2HD2      LEU  23   7.598  -7.505  -7.505
  155   2HD2  LEU  23          1HD2      LEU  23   8.509  -7.399  -7.399
  156   3HD2  LEU  23          3HD2      LEU  23   9.325  -7.152  -7.152
  157    H    GLY  24           H        GLY  24   6.565 -10.471 -10.471
  158   1HA   GLY  24          2HA       GLY  24   6.773 -13.102 -13.102
  159   2HA   GLY  24          1HA       GLY  24   5.231 -13.060 -13.060
  160    H    SER  25           H        SER  25   3.393 -12.158 -12.158
  161    HA   SER  25           HA       SER  25   3.561 -10.991 -10.991
  162   1HB   SER  25          2HB       SER  25   3.966 -13.650 -13.650
  163   2HB   SER  25          1HB       SER  25   2.204 -13.639 -13.639
  164    HG   SER  25           HG       SER  25   2.279 -12.215 -12.215
  165    H    CYS  26           H        CYS  26   1.398 -10.475 -10.475
  166    HA   CYS  26           HA       CYS  26  -0.453  -9.755  -9.755
  167   1HB   CYS  26          2HB       CYS  26  -0.704  -9.969  -9.969
  168   2HB   CYS  26          1HB       CYS  26  -2.044  -9.436  -9.436
  169    H    ASN  27           H        ASN  27  -2.718 -10.575 -10.575
  170    HA   ASN  27           HA       ASN  27  -3.011 -13.433 -13.433
  171   1HB   ASN  27          2HB       ASN  27  -2.986 -12.285 -12.285
  172   2HB   ASN  27          1HB       ASN  27  -4.138 -13.576 -13.576
  173   1HD2  ASN  27          2HD2      ASN  27  -1.637 -16.015 -16.015
  174   2HD2  ASN  27          1HD2      ASN  27  -3.261 -15.567 -15.567
  175    H    ALA  28           H        ALA  28  -5.379 -14.136 -14.136
  176    HA   ALA  28           HA       ALA  28  -7.169 -12.492 -12.492
  177   1HB   ALA  28          1HB       ALA  28  -7.291 -14.984 -14.984
  178   2HB   ALA  28          3HB       ALA  28  -8.716 -14.017 -14.017
  179   3HB   ALA  28          2HB       ALA  28  -8.337 -14.411 -14.411
  180    H    GLY  29           H        GLY  29  -9.131 -11.380 -11.380
  181   1HA   GLY  29          2HA       GLY  29 -10.237  -9.960  -9.960
  182   2HA   GLY  29          1HA       GLY  29  -9.180 -10.576 -10.576
  183    H    TRP  30           H        TRP  30  -7.370  -9.582  -9.582
  184    HA   TRP  30           HA       TRP  30  -6.999  -6.851  -6.851
  185   1HB   TRP  30          2HB       TRP  30  -4.916  -8.920  -8.920
  186   2HB   TRP  30          1HB       TRP  30  -4.522  -7.202  -7.202
  187    HD1  TRP  30           HD1      TRP  30  -5.901 -10.007 -10.007
  188    HE1  TRP  30           HE1      TRP  30  -5.383  -9.409  -9.409
  189    HE3  TRP  30           HE3      TRP  30  -3.896  -5.351  -5.351
  190    HZ2  TRP  30           HZ2      TRP  30  -4.267  -7.243  -7.243
  191    HZ3  TRP  30           HZ3      TRP  30  -3.115  -4.045  -4.045
  192    HH2  TRP  30           HH2      TRP  30  -3.298  -4.984  -4.984
  193    H    GLU  31           H        GLU  31  -5.711  -5.450  -5.450
  194    HA   GLU  31           HA       GLU  31  -6.239  -6.240  -6.240
  195   1HB   GLU  31          2HB       GLU  31  -7.289  -3.749  -3.749
  196   2HB   GLU  31          1HB       GLU  31  -7.174  -3.903  -3.903
  197   1HG   GLU  31          2HG       GLU  31  -8.562  -6.031  -6.031
  198   2HG   GLU  31          1HG       GLU  31  -9.417  -4.552  -4.552
  199    H    LYS  32           H        LYS  32  -4.128  -6.192  -6.192
  200    HA   LYS  32           HA       LYS  32  -1.962  -4.761  -4.761
  201   1HB   LYS  32          2HB       LYS  32  -2.355  -6.336  -6.336
  202   2HB   LYS  32          1HB       LYS  32  -2.231  -4.767  -4.767
  203   1HG   LYS  32          2HG       LYS  32  -0.008  -4.660  -4.660
  204   2HG   LYS  32          1HG       LYS  32  -0.207  -5.081  -5.081
  205   1HD   LYS  32          2HD       LYS  32   0.375  -7.228  -7.228
  206   2HD   LYS  32          1HD       LYS  32  -0.732  -7.358  -7.358
  207   1HE   LYS  32          2HE       LYS  32   1.730  -5.737  -5.737
  208   2HE   LYS  32          1HE       LYS  32   1.937  -7.485  -7.485
  209   1HZ   LYS  32          1HZ       LYS  32  -0.117  -6.274  -6.274
  210   2HZ   LYS  32          3HZ       LYS  32   1.475  -6.514  -6.514
  211   3HZ   LYS  32          2HZ       LYS  32   0.530  -7.844  -7.844
  212    H    CYS  33           H        CYS  33  -1.687  -2.624  -2.624
  213    HA   CYS  33           HA       CYS  33  -3.313  -0.684  -0.684
  214   1HB   CYS  33          2HB       CYS  33  -2.712  -0.861  -0.861
  215   2HB   CYS  33          1HB       CYS  33  -1.673   0.439   0.439
  216    H    ALA  34           H        ALA  34  -0.124  -1.905  -1.905
  217    HA   ALA  34           HA       ALA  34   0.822   0.203   0.203
  218   1HB   ALA  34          3HB       ALA  34   1.530   0.539   0.539
  219   2HB   ALA  34          2HB       ALA  34   2.648  -0.785  -0.785
  220   3HB   ALA  34          1HB       ALA  34   2.746   0.705   0.705
  221    H    SER  35           H        SER  35   1.753  -0.759  -0.759
  222    HA   SER  35           HA       SER  35   1.906  -3.482  -3.482
  223   1HB   SER  35          2HB       SER  35   3.721  -2.940  -2.940
  224   2HB   SER  35          1HB       SER  35   2.319  -1.881  -1.881
  225    HG   SER  35           HG       SER  35   4.895  -1.371  -1.371
  226    H    TYR  36           H        TYR  36   4.062  -1.537  -1.537
  227    HA   TYR  36           HA       TYR  36   5.350  -3.977  -3.977
  228   1HB   TYR  36          2HB       TYR  36   6.609  -2.960  -2.960
  229   2HB   TYR  36          1HB       TYR  36   7.242  -1.841  -1.841
  230    HD1  TYR  36           HD2      TYR  36   6.341  -5.466  -5.466
  231    HD2  TYR  36           HD1      TYR  36   9.446  -2.505  -2.505
  232    HE1  TYR  36           HE2      TYR  36   7.943  -7.197  -7.197
  233    HE2  TYR  36           HE1      TYR  36  11.048  -4.236  -4.236
  234    HH   TYR  36           HH       TYR  36  11.205  -6.349  -6.349
  235    H    TYR  37           H        TYR  37   7.585  -2.223  -2.223
  236    HA   TYR  37           HA       TYR  37   6.485  -0.073  -0.073
  237   1HB   TYR  37          2HB       TYR  37   5.172  -1.764  -1.764
  238   2HB   TYR  37          1HB       TYR  37   6.602  -2.765  -2.765
  239    HD1  TYR  37           HD1      TYR  37   6.231   0.934   0.934
  240    HD2  TYR  37           HD2      TYR  37   6.890  -2.820  -2.820
  241    HE1  TYR  37           HE1      TYR  37   6.709   2.134   2.134
  242    HE2  TYR  37           HE2      TYR  37   7.368  -1.621  -1.621
  243    HH   TYR  37           HH       TYR  37   7.622   0.355   0.355
  244    H    THR  38           H        THR  38   8.437  -2.487  -2.487
  245    HA   THR  38           HA       THR  38  10.788  -0.676  -0.676
  246    HB   THR  38           HB       THR  38  10.044  -1.013  -1.013
  247    HG1  THR  38           HG1      THR  38  12.059  -1.071  -1.071
  248   1HG2  THR  38          2HG2      THR  38   9.555  -3.628  -3.628
  249   2HG2  THR  38          1HG2      THR  38  10.893  -3.774  -3.774
  250   3HG2  THR  38          3HG2      THR  38   9.381  -3.021  -3.021
  251    H    ILE  39           H        ILE  39  12.925  -2.121  -2.121
  252    HA   ILE  39           HA       ILE  39  12.966  -3.926  -3.926
  253    HB   ILE  39           HB       ILE  39  15.037  -3.151  -3.151
  254   1HG1  ILE  39          2HG1      ILE  39  16.030  -2.329  -2.329
  255   2HG1  ILE  39          1HG1      ILE  39  14.330  -2.358  -2.358
  256   1HG2  ILE  39          3HG2      ILE  39  15.038  -5.293  -5.293
  257   2HG2  ILE  39          2HG2      ILE  39  16.492  -4.301  -4.301
  258   3HG2  ILE  39          1HG2      ILE  39  15.926  -5.197  -5.197
  259   1HD1  ILE  39          3HD1      ILE  39  15.339  -0.961  -0.961
  260   2HD1  ILE  39          2HD1      ILE  39  15.125  -0.145  -0.145
  261   3HD1  ILE  39          1HD1      ILE  39  13.733  -0.841  -0.841
  262    H    ILE  40           H        ILE  40  12.166  -4.324  -4.324
  263    HA   ILE  40           HA       ILE  40  12.400  -7.277  -7.277
  264    HB   ILE  40           HB       ILE  40  14.287  -6.340  -6.340
  265   1HG1  ILE  40          2HG1      ILE  40  12.352  -8.129  -8.129
  266   2HG1  ILE  40          1HG1      ILE  40  13.350  -8.691  -8.691
  267   1HG2  ILE  40          3HG2      ILE  40  12.086  -4.986  -4.986
  268   2HG2  ILE  40          2HG2      ILE  40  12.750  -6.087  -6.087
  269   3HG2  ILE  40          1HG2      ILE  40  13.790  -4.885  -4.885
  270   1HD1  ILE  40          3HD1      ILE  40  15.034  -7.248  -7.248
  271   2HD1  ILE  40          2HD1      ILE  40  14.091  -8.401  -8.401
  272   3HD1  ILE  40          1HD1      ILE  40  15.086  -8.965  -8.965
  273    H    ALA  41           H        ALA  41  10.102  -5.491  -5.491
  274    HA   ALA  41           HA       ALA  41   8.205  -6.947  -6.947
  275   1HB   ALA  41          1HB       ALA  41   9.474  -4.920  -4.920
  276   2HB   ALA  41          3HB       ALA  41   7.918  -4.231  -4.231
  277   3HB   ALA  41          2HB       ALA  41   7.980  -5.748  -5.748
  278    H    ASP  42           H        ASP  42   5.978  -6.095  -6.095
  279    HA   ASP  42           HA       ASP  42   5.824  -4.360  -4.360
  280   1HB   ASP  42          2HB       ASP  42   4.930  -6.980  -6.980
  281   2HB   ASP  42          1HB       ASP  42   3.472  -6.011  -6.011
  282    H    CYS  43           H        CYS  43   2.887  -4.255  -4.255
  283    HA   CYS  43           HA       CYS  43   2.292  -3.068  -3.068
  284   1HB   CYS  43          2HB       CYS  43   3.104  -1.369  -1.369
  285   2HB   CYS  43          1HB       CYS  43   1.725  -0.820  -0.820
  286    H    CYS  44           H        CYS  44   0.418  -4.312  -4.312
  287    HA   CYS  44           HA       CYS  44  -1.444  -4.046  -4.046
  288   1HB   CYS  44          2HB       CYS  44  -0.824  -6.137  -6.137
  289   2HB   CYS  44          1HB       CYS  44  -2.549  -5.773  -5.773
  290    H    ARG  45           H        ARG  45  -3.837  -3.908  -3.908
  291    HA   ARG  45           HA       ARG  45  -4.100  -2.042  -2.042
  292   1HB   ARG  45          2HB       ARG  45  -4.439  -1.337  -1.337
  293   2HB   ARG  45          1HB       ARG  45  -6.086  -1.748  -1.748
  294   1HG   ARG  45          2HG       ARG  45  -5.112  -0.286  -0.286
  295   2HG   ARG  45          1HG       ARG  45  -4.461   0.557   0.557
  296   1HD   ARG  45          2HD       ARG  45  -7.373  -0.228  -0.228
  297   2HD   ARG  45          1HD       ARG  45  -6.740   1.365   1.365
  298    HE   ARG  45           HE       ARG  45  -6.290   0.344   0.344
  299   1HH1  ARG  45          2HH1      ARG  45  -6.165   3.170   3.170
  300   2HH1  ARG  45          1HH1      ARG  45  -7.397   3.991   3.991
  301   1HH2  ARG  45          1HH2      ARG  45  -8.591   1.107   1.107
  302   2HH2  ARG  45          2HH2      ARG  45  -8.770   2.824   2.824
  303    H    LYS  46           H        LYS  46  -5.062  -3.369  -3.369
  304    HA   LYS  46           HA       LYS  46  -6.744  -5.572  -5.572
  305   1HB   LYS  46          2HB       LYS  46  -5.715  -4.540  -4.540
  306   2HB   LYS  46          1HB       LYS  46  -7.328  -3.840  -3.840
  307   1HG   LYS  46          2HG       LYS  46  -8.363  -6.013  -6.013
  308   2HG   LYS  46          1HG       LYS  46  -6.831  -6.785  -6.785
  309   1HD   LYS  46          2HD       LYS  46  -5.935  -5.918  -5.918
  310   2HD   LYS  46          1HD       LYS  46  -7.595  -5.478  -5.478
  311   1HE   LYS  46          2HE       LYS  46  -8.202  -7.911  -7.911
  312   2HE   LYS  46          1HE       LYS  46  -6.469  -8.234  -8.234
  313   1HZ   LYS  46          2HZ       LYS  46  -7.217  -6.711  -6.711
  314   2HZ   LYS  46          1HZ       LYS  46  -8.229  -8.072  -8.072
  315   3HZ   LYS  46          3HZ       LYS  46  -6.545  -8.271  -8.271
  316    H    LYS  47           H        LYS  47  -8.216  -5.009  -5.009
  317    HA   LYS  47           HA       LYS  47 -10.133  -4.004  -4.004
  318   1HB   LYS  47          2HB       LYS  47 -10.903  -4.653  -4.653
  319   2HB   LYS  47          1HB       LYS  47 -12.074  -4.048  -4.048
  320   1HG   LYS  47          2HG       LYS  47 -11.686  -5.927  -5.927
  321   2HG   LYS  47          1HG       LYS  47 -10.334  -6.481  -6.481
  322   1HD   LYS  47          2HD       LYS  47 -12.059  -7.859  -7.859
  323   2HD   LYS  47          1HD       LYS  47 -12.125  -6.536  -6.536
  324   1HE   LYS  47          2HE       LYS  47 -14.368  -7.204  -7.204
  325   2HE   LYS  47          1HE       LYS  47 -13.959  -5.499  -5.499
  326   1HZ   LYS  47          3HZ       LYS  47 -13.255  -7.445  -7.445
  327   2HZ   LYS  47          2HZ       LYS  47 -14.825  -6.800  -6.800
  328   3HZ   LYS  47          1HZ       LYS  47 -13.490  -5.770  -5.770
  329    H    LYS  48           H        LYS  48  -9.277  -1.868  -1.868
  330    HA   LYS  48           HA       LYS  48  -9.068   0.452   0.452
  331   1HB   LYS  48          2HB       LYS  48 -11.841  -0.304  -0.304
  332   2HB   LYS  48          1HB       LYS  48 -11.291   1.365   1.365
  333   1HG   LYS  48          2HG       LYS  48 -10.569   1.148   1.148
  334   2HG   LYS  48          1HG       LYS  48 -11.595  -0.287  -0.287
  335   1HD   LYS  48          2HD       LYS  48 -13.260   1.501   1.501
  336   2HD   LYS  48          1HD       LYS  48 -12.353   2.568   2.568
  337   1HE   LYS  48          2HE       LYS  48 -13.006   0.191   0.191
  338   2HE   LYS  48          1HE       LYS  48 -14.476   0.790   0.790
  339   1HZ   LYS  48          1HZ       LYS  48 -12.621   2.434   2.434
  340   2HZ   LYS  48          3HZ       LYS  48 -14.088   1.787   1.787
  341   3HZ   LYS  48          2HZ       LYS  48 -14.087   2.951   2.951
  342   1H    NH2  49          1HT       LYS  48 -11.108   0.244   0.244
  343   2H    NH2  49          2HT       LYS  48  -9.879   0.545   0.545

  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1   2.882  -3.440  -3.440
    2   2H    ALA   1          2H        ALA   1   4.316  -4.349  -4.349
    3   3H    ALA   1          1H        ALA   1   3.737  -3.613  -3.613
    4    HA   ALA   1           HA       ALA   1   4.967  -1.842  -1.842
    5   1HB   ALA   1          3HB       ALA   1   5.759  -3.712  -3.712
    6   2HB   ALA   1          2HB       ALA   1   5.785  -2.075  -2.075
    7   3HB   ALA   1          1HB       ALA   1   6.726  -2.463  -2.463
    8    H    ALA   2           H        ALA   2   3.053  -0.508  -0.508
    9    HA   ALA   2           HA       ALA   2   1.240   0.029   0.029
   10   1HB   ALA   2          3HB       ALA   2   1.631   1.162   1.162
   11   2HB   ALA   2          2HB       ALA   2   2.463   2.381   2.381
   12   3HB   ALA   2          1HB       ALA   2   0.764   2.024   2.024
   13    H    CYS   3           H        CYS   3   1.195   1.868   1.868
   14    HA   CYS   3           HA       CYS   3   3.533   3.221   3.221
   15   1HB   CYS   3          2HB       CYS   3   4.213   1.901   1.901
   16   2HB   CYS   3          1HB       CYS   3   4.273   0.868   0.868
   17    H    LYS   4           H        LYS   4   3.006   4.642   4.642
   18    HA   LYS   4           HA       LYS   4   0.207   5.050   5.050
   19   1HB   LYS   4          2HB       LYS   4   2.769   6.300   6.300
   20   2HB   LYS   4          1HB       LYS   4   1.413   6.518   6.518
   21   1HG   LYS   4          2HG       LYS   4   0.365   7.944   7.944
   22   2HG   LYS   4          1HG       LYS   4   0.648   6.896   6.896
   23   1HD   LYS   4          2HD       LYS   4   1.903   8.820   8.820
   24   2HD   LYS   4          1HD       LYS   4   3.107   7.721   7.721
   25   1HE   LYS   4          2HE       LYS   4   1.895   9.153   9.153
   26   2HE   LYS   4          1HE       LYS   4   2.391  10.318  10.318
   27   1HZ   LYS   4          2HZ       LYS   4   4.280   8.190   8.190
   28   2HZ   LYS   4          1HZ       LYS   4   4.044   9.349   9.349
   29   3HZ   LYS   4          3HZ       LYS   4   4.560   9.834   9.834
   30    H    CYS   5           H        CYS   5  -0.180   5.487   5.487
   31    HA   CYS   5           HA       CYS   5   0.684   3.016   3.016
   32   1HB   CYS   5          2HB       CYS   5  -2.149   3.976   3.976
   33   2HB   CYS   5          1HB       CYS   5  -1.723   2.877   2.877
   34    H    ASP   6           H        ASP   6   0.491   3.211   3.211
   35    HA   ASP   6           HA       ASP   6   1.472   5.535   5.535
   36   1HB   ASP   6          2HB       ASP   6   0.981   3.211   3.211
   37   2HB   ASP   6          1HB       ASP   6  -0.576   3.921   3.921
   38    H    ASP   7           H        ASP   7  -1.891   4.812   4.812
   39    HA   ASP   7           HA       ASP   7  -2.524   7.677   7.677
   40   1HB   ASP   7          2HB       ASP   7  -4.510   7.201   7.201
   41   2HB   ASP   7          1HB       ASP   7  -3.033   6.696   6.696
   42    H    GLU   8           H        GLU   8  -2.673   7.428   7.428
   43    HA   GLU   8           HA       GLU   8  -4.570   5.617   5.617
   44   1HB   GLU   8          2HB       GLU   8  -3.657   8.239   8.239
   45   2HB   GLU   8          1HB       GLU   8  -4.121   6.761   6.761
   46   1HG   GLU   8          2HG       GLU   8  -2.056   5.953   5.953
   47   2HG   GLU   8          1HG       GLU   8  -1.528   7.524   7.524
   48    H    GLY   9           H        GLY   9  -4.743   8.976   8.976
   49   1HA   GLY   9          2HA       GLY   9  -7.321   9.139   9.139
   50   2HA   GLY   9          1HA       GLY   9  -7.524   9.236   9.236
   51    HA   PRO  10           HA       PRO  10  -6.777  13.552  13.552
   52   1HB   PRO  10          2HB       PRO  10  -8.779  14.572  14.572
   53   2HB   PRO  10          1HB       PRO  10  -9.047  13.930  13.930
   54   1HG   PRO  10          2HG       PRO  10  -9.739  12.741  12.741
   55   2HG   PRO  10          1HG       PRO  10 -10.498  12.501  12.501
   56   1HD   PRO  10          2HD       PRO  10  -8.696  10.723  10.723
   57   2HD   PRO  10          1HD       PRO  10  -9.238  10.636  10.636
   58    H    ASP  11           H        ASP  11  -7.965  13.032  13.032
   59    HA   ASP  11           HA       ASP  11  -6.996  13.588  13.588
   60   1HB   ASP  11          2HB       ASP  11  -4.399  13.390  13.390
   61   2HB   ASP  11          1HB       ASP  11  -4.573  13.321  13.321
   62    H    ILE  12           H        ILE  12  -5.194  15.281  15.281
   63    HA   ILE  12           HA       ILE  12  -5.211  17.715  17.715
   64    HB   ILE  12           HB       ILE  12  -7.243  17.648  17.648
   65   1HG1  ILE  12          2HG1      ILE  12  -6.283  19.719  19.719
   66   2HG1  ILE  12          1HG1      ILE  12  -7.033  20.014  20.014
   67   1HG2  ILE  12          2HG2      ILE  12  -6.000  16.677  16.677
   68   2HG2  ILE  12          1HG2      ILE  12  -5.088  18.182  18.182
   69   3HG2  ILE  12          3HG2      ILE  12  -6.828  18.178  18.178
   70   1HD1  ILE  12          3HD1      ILE  12  -4.482  19.428  19.428
   71   2HD1  ILE  12          2HD1      ILE  12  -4.190  20.197  20.197
   72   3HD1  ILE  12          1HD1      ILE  12  -5.065  21.065  21.065
   73    H    ARG  13           H        ARG  13  -4.145  16.205  16.205
   74    HA   ARG  13           HA       ARG  13  -1.863  18.062  18.062
   75   1HB   ARG  13          2HB       ARG  13  -3.225  17.034  17.034
   76   2HB   ARG  13          1HB       ARG  13  -2.219  15.609  15.609
   77   1HG   ARG  13          2HG       ARG  13  -0.888  16.748  16.748
   78   2HG   ARG  13          1HG       ARG  13  -0.267  17.417  17.417
   79   1HD   ARG  13          2HD       ARG  13  -0.810  19.151  19.151
   80   2HD   ARG  13          1HD       ARG  13  -1.649  19.383  19.383
   81    HE   ARG  13           HE       ARG  13  -3.696  18.848  18.848
   82   1HH1  ARG  13          1HH2      ARG  13  -1.452  19.636  19.636
   83   2HH1  ARG  13          2HH2      ARG  13  -2.133  18.713  18.713
   84   1HH2  ARG  13          2HH1      ARG  13  -4.371  17.011  17.011
   85   2HH2  ARG  13          1HH1      ARG  13  -3.785  17.226  17.226
   86    H    THR  14           H        THR  14  -1.995  14.488  14.488
   87    HA   THR  14           HA       THR  14   0.205  14.383  14.383
   88    HB   THR  14           HB       THR  14   0.831  12.367  12.367
   89    HG1  THR  14           HG1      THR  14   1.048  13.872  13.872
   90   1HG2  THR  14          2HG2      THR  14   2.084  14.457  14.457
   91   2HG2  THR  14          1HG2      THR  14   2.232  14.919  14.919
   92   3HG2  THR  14          3HG2      THR  14   2.862  13.366  13.366
   93    H    ALA  15           H        ALA  15  -0.921  11.727  11.727
   94    HA   ALA  15           HA       ALA  15  -2.895  10.750  10.750
   95   1HB   ALA  15          1HB       ALA  15  -0.067   9.973   9.973
   96   2HB   ALA  15          3HB       ALA  15  -1.202   8.623   8.623
   97   3HB   ALA  15          2HB       ALA  15  -1.409   9.907   9.907
   98    HA   PRO  16           HA       PRO  16  -3.725   8.394   8.394
   99   1HB   PRO  16          2HB       PRO  16  -5.682   6.814   6.814
  100   2HB   PRO  16          1HB       PRO  16  -5.918   8.525   8.525
  101   1HG   PRO  16          2HG       PRO  16  -5.623   7.219   7.219
  102   2HG   PRO  16          1HG       PRO  16  -6.428   8.736   8.736
  103   1HD   PRO  16          2HD       PRO  16  -3.854   8.451   8.451
  104   2HD   PRO  16          1HD       PRO  16  -4.570   9.951   9.951
  105    H    LEU  17           H        LEU  17  -1.731   7.334   7.334
  106    HA   LEU  17           HA       LEU  17  -0.662   5.314   5.314
  107   1HB   LEU  17          2HB       LEU  17  -1.034   5.526   5.526
  108   2HB   LEU  17          1HB       LEU  17  -0.679   3.897   3.897
  109    HG   LEU  17           HG       LEU  17   1.282   4.795   4.795
  110   1HD1  LEU  17          1HD1      LEU  17   0.148   7.337   7.337
  111   2HD1  LEU  17          3HD1      LEU  17   1.906   7.197   7.197
  112   3HD1  LEU  17          2HD1      LEU  17   0.984   7.030   7.030
  113   1HD2  LEU  17          2HD2      LEU  17   1.050   4.266   4.266
  114   2HD2  LEU  17          1HD2      LEU  17   2.574   4.485   4.485
  115   3HD2  LEU  17          3HD2      LEU  17   1.836   5.845   5.845
  116    H    THR  18           H        THR  18  -2.763   4.823   4.823
  117    HA   THR  18           HA       THR  18  -4.488   2.776   2.776
  118    HB   THR  18           HB       THR  18  -5.725   2.855   2.855
  119    HG1  THR  18           HG1      THR  18  -4.273   2.911   2.911
  120   1HG2  THR  18          3HG2      THR  18  -4.848   5.361   5.361
  121   2HG2  THR  18          2HG2      THR  18  -5.622   5.558   5.558
  122   3HG2  THR  18          1HG2      THR  18  -6.477   4.738   4.738
  123    H    GLY  19           H        GLY  19  -1.440   2.558   2.558
  124   1HA   GLY  19          2HA       GLY  19  -1.765   0.041   0.041
  125   2HA   GLY  19          1HA       GLY  19  -0.281   0.993   0.993
  126    H    THR  20           H        THR  20  -1.342  -1.877  -1.877
  127    HA   THR  20           HA       THR  20  -0.008  -1.752  -1.752
  128    HB   THR  20           HB       THR  20  -1.913  -3.893  -3.893
  129    HG1  THR  20           HG1      THR  20  -2.337  -1.503  -1.503
  130   1HG2  THR  20          1HG2      THR  20  -0.765  -3.165  -3.165
  131   2HG2  THR  20          3HG2      THR  20  -2.078  -4.319  -4.319
  132   3HG2  THR  20          2HG2      THR  20  -0.486  -4.649  -4.649
  133    H    VAL  21           H        VAL  21   2.120  -2.119  -2.119
  134    HA   VAL  21           HA       VAL  21   3.035  -3.841  -3.841
  135    HB   VAL  21           HB       VAL  21   4.234  -3.252  -3.252
  136   1HG1  VAL  21          3HG1      VAL  21   5.180  -4.952  -4.952
  137   2HG1  VAL  21          2HG1      VAL  21   6.369  -3.954  -3.954
  138   3HG1  VAL  21          1HG1      VAL  21   5.435  -5.154  -5.154
  139   1HG2  VAL  21          3HG2      VAL  21   3.921  -1.354  -1.354
  140   2HG2  VAL  21          2HG2      VAL  21   5.617  -1.685  -1.685
  141   3HG2  VAL  21          1HG2      VAL  21   4.910  -2.230  -2.230
  142    H    ASP  22           H        ASP  22   3.173  -6.044  -6.044
  143    HA   ASP  22           HA       ASP  22   2.439  -7.723  -7.723
  144   1HB   ASP  22          2HB       ASP  22   1.129  -7.489  -7.489
  145   2HB   ASP  22          1HB       ASP  22   1.678  -9.141  -9.141
  146    H    LEU  23           H        LEU  23   4.816  -7.919  -7.919
  147    HA   LEU  23           HA       LEU  23   6.671  -8.803  -8.803
  148   1HB   LEU  23          2HB       LEU  23   6.315  -9.150  -9.150
  149   2HB   LEU  23          1HB       LEU  23   7.330 -10.377 -10.377
  150    HG   LEU  23           HG       LEU  23   8.814  -8.720  -8.720
  151   1HD1  LEU  23          3HD1      LEU  23   6.759  -6.711  -6.711
  152   2HD1  LEU  23          2HD1      LEU  23   8.351  -6.281  -6.281
  153   3HD1  LEU  23          1HD1      LEU  23   7.175  -7.065  -7.065
  154   1HD2  LEU  23          2HD2      LEU  23   8.009  -8.401  -8.401
  155   2HD2  LEU  23          1HD2      LEU  23   9.514  -9.024  -9.024
  156   3HD2  LEU  23          3HD2      LEU  23   9.202  -7.287  -7.287
  157    H    GLY  24           H        GLY  24   7.030 -10.676 -10.676
  158   1HA   GLY  24          2HA       GLY  24   6.889 -13.122 -13.122
  159   2HA   GLY  24          1HA       GLY  24   5.369 -13.059 -13.059
  160    H    SER  25           H        SER  25   3.695 -11.510 -11.510
  161    HA   SER  25           HA       SER  25   3.657 -10.937 -10.937
  162   1HB   SER  25          2HB       SER  25   4.110 -13.040 -13.040
  163   2HB   SER  25          1HB       SER  25   3.387 -13.865 -13.865
  164    HG   SER  25           HG       SER  25   1.576 -13.920 -13.920
  165    H    CYS  26           H        CYS  26   1.627 -10.139 -10.139
  166    HA   CYS  26           HA       CYS  26  -0.269  -9.477  -9.477
  167   1HB   CYS  26          2HB       CYS  26  -0.437  -9.914  -9.914
  168   2HB   CYS  26          1HB       CYS  26  -1.931  -9.650  -9.650
  169    H    ASN  27           H        ASN  27  -1.942 -10.523 -10.523
  170    HA   ASN  27           HA       ASN  27  -2.283 -13.421 -13.421
  171   1HB   ASN  27          2HB       ASN  27  -1.960 -11.976 -11.976
  172   2HB   ASN  27          1HB       ASN  27  -3.540 -12.761 -12.761
  173   1HD2  ASN  27          2HD2      ASN  27  -1.905 -15.726 -15.726
  174   2HD2  ASN  27          1HD2      ASN  27  -3.078 -14.555 -14.555
  175    H    ALA  28           H        ALA  28  -4.635 -14.151 -14.151
  176    HA   ALA  28           HA       ALA  28  -6.489 -12.880 -12.880
  177   1HB   ALA  28          2HB       ALA  28  -6.471 -15.300 -15.300
  178   2HB   ALA  28          1HB       ALA  28  -7.422 -14.538 -14.538
  179   3HB   ALA  28          3HB       ALA  28  -8.007 -14.523 -14.523
  180    H    GLY  29           H        GLY  29  -7.826 -11.157 -11.157
  181   1HA   GLY  29          2HA       GLY  29  -9.370  -9.914  -9.914
  182   2HA   GLY  29          1HA       GLY  29  -8.317 -10.299 -10.299
  183    H    TRP  30           H        TRP  30  -6.014  -9.704  -9.704
  184    HA   TRP  30           HA       TRP  30  -6.149  -6.730  -6.730
  185   1HB   TRP  30          2HB       TRP  30  -3.718  -8.536  -8.536
  186   2HB   TRP  30          1HB       TRP  30  -3.695  -6.777  -6.777
  187    HD1  TRP  30           HD1      TRP  30  -4.912  -9.895  -9.895
  188    HE1  TRP  30           HE1      TRP  30  -5.350  -9.266  -9.266
  189    HE3  TRP  30           HE3      TRP  30  -4.232  -4.840  -4.840
  190    HZ2  TRP  30           HZ2      TRP  30  -5.404  -6.927  -6.927
  191    HZ3  TRP  30           HZ3      TRP  30  -4.481  -3.437  -3.437
  192    HH2  TRP  30           HH2      TRP  30  -5.065  -4.472  -4.472
  193    H    GLU  31           H        GLU  31  -4.786  -5.557  -5.557
  194    HA   GLU  31           HA       GLU  31  -4.239  -7.097  -7.097
  195   1HB   GLU  31          2HB       GLU  31  -6.497  -6.400  -6.400
  196   2HB   GLU  31          1HB       GLU  31  -6.177  -4.782  -4.782
  197   1HG   GLU  31          2HG       GLU  31  -6.236  -4.901  -4.901
  198   2HG   GLU  31          1HG       GLU  31  -4.715  -4.284  -4.284
  199    H    LYS  32           H        LYS  32  -2.251  -6.482  -6.482
  200    HA   LYS  32           HA       LYS  32  -0.583  -4.577  -4.577
  201   1HB   LYS  32          2HB       LYS  32   0.307  -6.062  -6.062
  202   2HB   LYS  32          1HB       LYS  32  -0.818  -5.478  -5.478
  203   1HG   LYS  32          2HG       LYS  32   0.275  -3.193  -3.193
  204   2HG   LYS  32          1HG       LYS  32   1.515  -3.984  -3.984
  205   1HD   LYS  32          2HD       LYS  32   2.515  -4.186  -4.186
  206   2HD   LYS  32          1HD       LYS  32   1.535  -5.651  -5.651
  207   1HE   LYS  32          2HE       LYS  32   0.163  -4.837  -4.837
  208   2HE   LYS  32          1HE       LYS  32   0.103  -3.235  -3.235
  209   1HZ   LYS  32          1HZ       LYS  32   2.697  -3.748  -3.748
  210   2HZ   LYS  32          3HZ       LYS  32   1.562  -4.018  -4.018
  211   3HZ   LYS  32          2HZ       LYS  32   1.611  -2.516  -2.516
  212    H    CYS  33           H        CYS  33  -0.085  -2.345  -2.345
  213    HA   CYS  33           HA       CYS  33  -2.153  -0.942  -0.942
  214   1HB   CYS  33          2HB       CYS  33  -2.544   0.706   0.706
  215   2HB   CYS  33          1HB       CYS  33  -2.702  -0.865  -0.865
  216    H    ALA  34           H        ALA  34   1.053  -1.521  -1.521
  217    HA   ALA  34           HA       ALA  34   1.743   1.056   1.056
  218   1HB   ALA  34          1HB       ALA  34   2.303   0.822   0.822
  219   2HB   ALA  34          3HB       ALA  34   3.697  -0.054  -0.054
  220   3HB   ALA  34          2HB       ALA  34   3.415   1.620   1.620
  221    H    SER  35           H        SER  35   2.658   0.508   0.508
  222    HA   SER  35           HA       SER  35   3.396  -2.019  -2.019
  223   1HB   SER  35          2HB       SER  35   4.042   0.735   0.735
  224   2HB   SER  35          1HB       SER  35   5.283  -0.433  -0.433
  225    HG   SER  35           HG       SER  35   3.501  -0.137  -0.137
  226    H    TYR  36           H        TYR  36   4.516  -3.261  -3.261
  227    HA   TYR  36           HA       TYR  36   6.383  -4.055  -4.055
  228   1HB   TYR  36          2HB       TYR  36   7.366  -3.533  -3.533
  229   2HB   TYR  36          1HB       TYR  36   8.089  -2.132  -2.132
  230    HD1  TYR  36           HD2      TYR  36   7.436  -5.578  -5.578
  231    HD2  TYR  36           HD1      TYR  36  10.374  -2.626  -2.626
  232    HE1  TYR  36           HE2      TYR  36   9.223  -7.022  -7.022
  233    HE2  TYR  36           HE1      TYR  36  12.160  -4.071  -4.071
  234    HH   TYR  36           HH       TYR  36  11.408  -7.289  -7.289
  235    H    TYR  37           H        TYR  37   5.281  -2.689  -2.689
  236    HA   TYR  37           HA       TYR  37   5.847  -0.137  -0.137
  237   1HB   TYR  37          2HB       TYR  37   4.461  -1.514  -1.514
  238   2HB   TYR  37          1HB       TYR  37   5.763  -2.672  -2.672
  239    HD1  TYR  37           HD1      TYR  37   5.976   1.048   1.048
  240    HD2  TYR  37           HD2      TYR  37   6.058  -2.583  -2.583
  241    HE1  TYR  37           HE1      TYR  37   6.697   2.324   2.324
  242    HE2  TYR  37           HE2      TYR  37   6.780  -1.309  -1.309
  243    HH   TYR  37           HH       TYR  37   7.815   1.971   1.971
  244    H    THR  38           H        THR  38   7.690  -2.399  -2.399
  245    HA   THR  38           HA       THR  38  10.077  -0.690  -0.690
  246    HB   THR  38           HB       THR  38   9.361  -1.210  -1.210
  247    HG1  THR  38           HG1      THR  38  11.363  -1.483  -1.483
  248   1HG2  THR  38          3HG2      THR  38   8.943  -3.784  -3.784
  249   2HG2  THR  38          2HG2      THR  38  10.222  -3.951  -3.951
  250   3HG2  THR  38          1HG2      THR  38   8.666  -3.258  -3.258
  251    H    ILE  39           H        ILE  39  11.383  -3.539  -3.539
  252    HA   ILE  39           HA       ILE  39  11.722  -4.472  -4.472
  253    HB   ILE  39           HB       ILE  39  13.706  -4.292  -4.292
  254   1HG1  ILE  39          2HG1      ILE  39  13.376  -2.335  -2.335
  255   2HG1  ILE  39          1HG1      ILE  39  15.003  -3.013  -3.013
  256   1HG2  ILE  39          1HG2      ILE  39  13.746  -5.986  -5.986
  257   2HG2  ILE  39          3HG2      ILE  39  15.245  -5.436  -5.436
  258   3HG2  ILE  39          2HG2      ILE  39  14.128  -6.459  -6.459
  259   1HD1  ILE  39          1HD1      ILE  39  13.404  -4.443  -4.443
  260   2HD1  ILE  39          3HD1      ILE  39  13.106  -2.724  -2.724
  261   3HD1  ILE  39          2HD1      ILE  39  14.751  -3.356  -3.356
  262    H    ILE  40           H        ILE  40  10.345  -5.193  -5.193
  263    HA   ILE  40           HA       ILE  40  10.339  -8.093  -8.093
  264    HB   ILE  40           HB       ILE  40  11.131  -6.844  -6.844
  265   1HG1  ILE  40          2HG1      ILE  40  12.872  -7.318  -7.318
  266   2HG1  ILE  40          1HG1      ILE  40  13.123  -8.187  -8.187
  267   1HG2  ILE  40          1HG2      ILE  40   9.895  -9.484  -9.484
  268   2HG2  ILE  40          3HG2      ILE  40  11.211  -9.457  -9.457
  269   3HG2  ILE  40          2HG2      ILE  40   9.759  -8.495  -8.495
  270   1HD1  ILE  40          2HD1      ILE  40  12.032 -10.183 -10.183
  271   2HD1  ILE  40          1HD1      ILE  40  11.783  -9.318  -9.318
  272   3HD1  ILE  40          3HD1      ILE  40  13.419  -9.693  -9.693
  273    H    ALA  41           H        ALA  41   8.557  -5.495  -5.495
  274    HA   ALA  41           HA       ALA  41   6.221  -6.953  -6.953
  275   1HB   ALA  41          2HB       ALA  41   7.060  -4.168  -4.168
  276   2HB   ALA  41          1HB       ALA  41   5.517  -4.921  -4.921
  277   3HB   ALA  41          3HB       ALA  41   7.021  -5.607  -5.607
  278    H    ASP  42           H        ASP  42   4.172  -5.545  -5.545
  279    HA   ASP  42           HA       ASP  42   4.472  -3.951  -3.951
  280   1HB   ASP  42          2HB       ASP  42   3.306  -6.610  -6.610
  281   2HB   ASP  42          1HB       ASP  42   2.124  -5.437  -5.437
  282    H    CYS  43           H        CYS  43   3.692  -3.626  -3.626
  283    HA   CYS  43           HA       CYS  43   2.014  -2.559  -2.559
  284   1HB   CYS  43          2HB       CYS  43   2.270  -1.016  -1.016
  285   2HB   CYS  43          1HB       CYS  43   1.088  -0.523  -0.523
  286    H    CYS  44           H        CYS  44   0.482  -4.279  -4.279
  287    HA   CYS  44           HA       CYS  44  -1.596  -4.350  -4.350
  288   1HB   CYS  44          2HB       CYS  44  -0.330  -6.346  -6.346
  289   2HB   CYS  44          1HB       CYS  44  -1.912  -6.217  -6.217
  290    H    ARG  45           H        ARG  45  -3.344  -3.075  -3.075
  291    HA   ARG  45           HA       ARG  45  -4.047  -2.268  -2.268
  292   1HB   ARG  45          2HB       ARG  45  -3.976  -0.490  -0.490
  293   2HB   ARG  45          1HB       ARG  45  -5.110  -1.373  -1.373
  294   1HG   ARG  45          2HG       ARG  45  -6.733  -1.297  -1.297
  295   2HG   ARG  45          1HG       ARG  45  -5.637  -0.120  -0.120
  296   1HD   ARG  45          2HD       ARG  45  -7.013   1.335   1.335
  297   2HD   ARG  45          1HD       ARG  45  -5.851   0.994   0.994
  298    HE   ARG  45           HE       ARG  45  -7.709  -0.963  -0.963
  299   1HH1  ARG  45          2HH1      ARG  45  -9.246   1.367   1.367
  300   2HH1  ARG  45          1HH1      ARG  45 -10.119   2.039   2.039
  301   1HH2  ARG  45          1HH2      ARG  45  -8.267   0.355   0.355
  302   2HH2  ARG  45          2HH2      ARG  45  -9.564   1.466   1.466
  303    H    LYS  46           H        LYS  46  -5.985  -2.880  -2.880
  304    HA   LYS  46           HA       LYS  46  -7.169  -5.347  -5.347
  305   1HB   LYS  46          2HB       LYS  46  -7.634  -3.235  -3.235
  306   2HB   LYS  46          1HB       LYS  46  -9.178  -3.776  -3.776
  307   1HG   LYS  46          2HG       LYS  46  -8.063  -6.177  -6.177
  308   2HG   LYS  46          1HG       LYS  46  -7.177  -5.282  -5.282
  309   1HD   LYS  46          2HD       LYS  46  -9.100  -4.783  -4.783
  310   2HD   LYS  46          1HD       LYS  46 -10.154  -4.956  -4.956
  311   1HE   LYS  46          2HE       LYS  46  -8.871  -7.463  -7.463
  312   2HE   LYS  46          1HE       LYS  46  -9.473  -6.931  -6.931
  313   1HZ   LYS  46          2HZ       LYS  46 -11.204  -6.684  -6.684
  314   2HZ   LYS  46          1HZ       LYS  46 -11.020  -8.206  -8.206
  315   3HZ   LYS  46          3HZ       LYS  46 -11.627  -6.904  -6.904
  316    H    LYS  47           H        LYS  47  -7.964  -5.678  -5.678
  317    HA   LYS  47           HA       LYS  47  -9.078  -3.895  -3.895
  318   1HB   LYS  47          2HB       LYS  47  -9.568  -6.795  -6.795
  319   2HB   LYS  47          1HB       LYS  47 -10.649  -5.969  -5.969
  320   1HG   LYS  47          2HG       LYS  47  -8.482  -5.085  -5.085
  321   2HG   LYS  47          1HG       LYS  47  -7.669  -6.368  -6.368
  322   1HD   LYS  47          2HD       LYS  47  -8.404  -7.938  -7.938
  323   2HD   LYS  47          1HD       LYS  47 -10.067  -7.373  -7.373
  324   1HE   LYS  47          2HE       LYS  47  -8.056  -5.863  -5.863
  325   2HE   LYS  47          1HE       LYS  47  -8.957  -7.222  -7.222
  326   1HZ   LYS  47          1HZ       LYS  47 -10.353  -5.040  -5.040
  327   2HZ   LYS  47          3HZ       LYS  47  -9.929  -4.876  -4.876
  328   3HZ   LYS  47          2HZ       LYS  47 -10.964  -6.132  -6.132
  329    H    LYS  48           H        LYS  48 -10.473  -2.302  -2.302
  330    HA   LYS  48           HA       LYS  48 -13.221  -2.997  -2.997
  331   1HB   LYS  48          2HB       LYS  48 -11.687  -3.216  -3.216
  332   2HB   LYS  48          1HB       LYS  48 -12.194  -1.530  -1.530
  333   1HG   LYS  48          2HG       LYS  48 -14.232  -2.176  -2.176
  334   2HG   LYS  48          1HG       LYS  48 -14.454  -3.086  -3.086
  335   1HD   LYS  48          2HD       LYS  48 -12.798  -4.772  -4.772
  336   2HD   LYS  48          1HD       LYS  48 -13.635  -4.039  -4.039
  337   1HE   LYS  48          2HE       LYS  48 -14.911  -5.974  -5.974
  338   2HE   LYS  48          1HE       LYS  48 -15.814  -4.546  -4.546
  339   1HZ   LYS  48          3HZ       LYS  48 -13.904  -5.545  -5.545
  340   2HZ   LYS  48          2HZ       LYS  48 -15.213  -6.581  -6.581
  341   3HZ   LYS  48          1HZ       LYS  48 -15.492  -4.995  -4.995
  342   1H    NH2  49          1HT       LYS  48 -10.662  -0.513  -0.513
  343   2H    NH2  49          2HT       LYS  48 -11.648   0.773   0.773

  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1   3.782  -3.222  -3.222
    2   2H    ALA   1          2H        ALA   1   5.361  -3.731  -3.731
    3   3H    ALA   1          1H        ALA   1   4.480  -2.817  -2.817
    4    HA   ALA   1           HA       ALA   1   5.586  -1.073  -1.073
    5   1HB   ALA   1          1HB       ALA   1   6.323  -3.109  -3.109
    6   2HB   ALA   1          3HB       ALA   1   6.212  -1.493  -1.493
    7   3HB   ALA   1          2HB       ALA   1   7.289  -1.793  -1.793
    8    H    ALA   2           H        ALA   2   3.007  -0.776  -0.776
    9    HA   ALA   2           HA       ALA   2   1.348  -0.588  -0.588
   10   1HB   ALA   2          2HB       ALA   2   1.389   0.521   0.521
   11   2HB   ALA   2          1HB       ALA   2   1.105   1.866   1.866
   12   3HB   ALA   2          3HB       ALA   2   0.027   0.470   0.470
   13    H    CYS   3           H        CYS   3   1.506   0.447   0.447
   14    HA   CYS   3           HA       CYS   3   3.267   2.863   2.863
   15   1HB   CYS   3          2HB       CYS   3   4.000   2.172   2.172
   16   2HB   CYS   3          1HB       CYS   3   4.226   0.803   0.803
   17    H    LYS   4           H        LYS   4   2.677   4.250   4.250
   18    HA   LYS   4           HA       LYS   4  -0.224   4.679   4.679
   19   1HB   LYS   4          2HB       LYS   4   1.313   6.605   6.605
   20   2HB   LYS   4          1HB       LYS   4   1.983   6.120   6.120
   21   1HG   LYS   4          2HG       LYS   4  -0.361   6.298   6.298
   22   2HG   LYS   4          1HG       LYS   4  -0.845   7.037   7.037
   23   1HD   LYS   4          2HD       LYS   4  -0.326   8.882   8.882
   24   2HD   LYS   4          1HD       LYS   4   1.120   8.673   8.673
   25   1HE   LYS   4          2HE       LYS   4   2.272   7.541   7.541
   26   2HE   LYS   4          1HE       LYS   4   0.797   7.413   7.413
   27   1HZ   LYS   4          3HZ       LYS   4   0.795   9.962   9.962
   28   2HZ   LYS   4          2HZ       LYS   4   2.436   9.796   9.796
   29   3HZ   LYS   4          1HZ       LYS   4   1.868   9.219   9.219
   30    H    CYS   5           H        CYS   5  -1.590   4.515   4.515
   31    HA   CYS   5           HA       CYS   5  -1.100   2.349   2.349
   32   1HB   CYS   5          2HB       CYS   5  -3.128   4.478   4.478
   33   2HB   CYS   5          1HB       CYS   5  -2.937   3.849   3.849
   34    H    ASP   6           H        ASP   6  -1.462   2.980   2.980
   35    HA   ASP   6           HA       ASP   6   1.043   4.343   4.343
   36   1HB   ASP   6          2HB       ASP   6   0.563   3.589   3.589
   37   2HB   ASP   6          1HB       ASP   6   0.312   2.252   2.252
   38    H    ASP   7           H        ASP   7  -2.342   5.089   5.089
   39    HA   ASP   7           HA       ASP   7  -1.729   7.801   7.801
   40   1HB   ASP   7          2HB       ASP   7  -3.630   7.815   7.815
   41   2HB   ASP   7          1HB       ASP   7  -2.688   6.372   6.372
   42    H    GLU   8           H        GLU   8  -1.930   7.505   7.505
   43    HA   GLU   8           HA       GLU   8  -4.778   8.052   8.052
   44   1HB   GLU   8          2HB       GLU   8  -2.568   6.654   6.654
   45   2HB   GLU   8          1HB       GLU   8  -3.399   7.809   7.809
   46   1HG   GLU   8          2HG       GLU   8  -4.935   5.848   5.848
   47   2HG   GLU   8          1HG       GLU   8  -4.349   5.408   5.408
   48    H    GLY   9           H        GLY   9  -3.144  10.058  10.058
   49   1HA   GLY   9          2HA       GLY   9  -3.626  12.426  12.426
   50   2HA   GLY   9          1HA       GLY   9  -2.518  11.899  11.899
   51    HA   PRO  10           HA       PRO  10  -0.208  13.478  13.478
   52   1HB   PRO  10          2HB       PRO  10  -0.213  16.180  16.180
   53   2HB   PRO  10          1HB       PRO  10  -1.444  15.349  15.349
   54   1HG   PRO  10          2HG       PRO  10  -1.647  16.484  16.484
   55   2HG   PRO  10          1HG       PRO  10  -2.909  16.241  16.241
   56   1HD   PRO  10          2HD       PRO  10  -2.428  14.605  14.605
   57   2HD   PRO  10          1HD       PRO  10  -3.489  14.215  14.215
   58    H    ASP  11           H        ASP  11  -0.168  15.034  15.034
   59    HA   ASP  11           HA       ASP  11   2.809  14.965  14.965
   60   1HB   ASP  11          2HB       ASP  11   1.114  16.970  16.970
   61   2HB   ASP  11          1HB       ASP  11   1.451  16.191  16.191
   62    H    ILE  12           H        ILE  12   2.806  15.068  15.068
   63    HA   ILE  12           HA       ILE  12   1.898  12.307  12.307
   64    HB   ILE  12           HB       ILE  12   4.023  11.670  11.670
   65   1HG1  ILE  12          2HG1      ILE  12   4.517  13.937  13.937
   66   2HG1  ILE  12          1HG1      ILE  12   5.906  13.194  13.194
   67   1HG2  ILE  12          2HG2      ILE  12   4.426  13.136  13.136
   68   2HG2  ILE  12          1HG2      ILE  12   5.514  11.910  11.910
   69   3HG2  ILE  12          3HG2      ILE  12   3.870  11.473  11.473
   70   1HD1  ILE  12          3HD1      ILE  12   4.642  14.576  14.576
   71   2HD1  ILE  12          2HD1      ILE  12   4.491  15.658  15.658
   72   3HD1  ILE  12          1HD1      ILE  12   6.084  15.105  15.105
   73    H    ARG  13           H        ARG  13   1.415  15.327  15.327
   74    HA   ARG  13           HA       ARG  13   1.887  15.211  15.211
   75   1HB   ARG  13          2HB       ARG  13   0.478  17.350  17.350
   76   2HB   ARG  13          1HB       ARG  13   1.072  17.498  17.498
   77   1HG   ARG  13          2HG       ARG  13   3.304  17.567  17.567
   78   2HG   ARG  13          1HG       ARG  13   2.988  16.713  16.713
   79   1HD   ARG  13          2HD       ARG  13   2.736  18.662  18.662
   80   2HD   ARG  13          1HD       ARG  13   1.476  19.162  19.162
   81    HE   ARG  13           HE       ARG  13   4.388  19.608  19.608
   82   1HH1  ARG  13          2HH1      ARG  13   1.264  20.058  20.058
   83   2HH1  ARG  13          1HH1      ARG  13   1.443  21.749  21.749
   84   1HH2  ARG  13          1HH2      ARG  13   4.549  21.989  21.989
   85   2HH2  ARG  13          2HH2      ARG  13   3.303  22.842  22.842
   86    H    THR  14           H        THR  14  -0.403  14.036  14.036
   87    HA   THR  14           HA       THR  14  -2.504  14.162  14.162
   88    HB   THR  14           HB       THR  14  -3.976  13.739  13.739
   89    HG1  THR  14           HG1      THR  14  -1.828  14.091  14.091
   90   1HG2  THR  14          2HG2      THR  14  -3.895  15.627  15.627
   91   2HG2  THR  14          1HG2      THR  14  -3.204  16.572  16.572
   92   3HG2  THR  14          3HG2      THR  14  -4.808  15.859  15.859
   93    H    ALA  15           H        ALA  15  -0.894  12.272  12.272
   94    HA   ALA  15           HA       ALA  15  -2.366   9.943   9.943
   95   1HB   ALA  15          3HB       ALA  15   0.614  10.361  10.361
   96   2HB   ALA  15          2HB       ALA  15  -0.071   8.749   8.749
   97   3HB   ALA  15          1HB       ALA  15  -0.347   9.982   9.982
   98    HA   PRO  16           HA       PRO  16  -2.388   9.021   9.021
   99   1HB   PRO  16          2HB       PRO  16  -4.725   7.607   7.607
  100   2HB   PRO  16          1HB       PRO  16  -4.660   9.373   9.373
  101   1HG   PRO  16          2HG       PRO  16  -5.327   7.645   7.645
  102   2HG   PRO  16          1HG       PRO  16  -5.830   9.306   9.306
  103   1HD   PRO  16          2HD       PRO  16  -3.805   8.509   8.509
  104   2HD   PRO  16          1HD       PRO  16  -4.125  10.167  10.167
  105    H    LEU  17           H        LEU  17  -1.471   7.292   7.292
  106    HA   LEU  17           HA       LEU  17  -0.562   5.170   5.170
  107   1HB   LEU  17          2HB       LEU  17  -0.683   5.468   5.468
  108   2HB   LEU  17          1HB       LEU  17  -0.257   3.902   3.902
  109    HG   LEU  17           HG       LEU  17   1.741   5.332   5.332
  110   1HD1  LEU  17          2HD1      LEU  17   1.564   3.612   3.612
  111   2HD1  LEU  17          1HD1      LEU  17   1.344   4.989   4.989
  112   3HD1  LEU  17          3HD1      LEU  17   2.837   4.823   4.823
  113   1HD2  LEU  17          2HD2      LEU  17   0.469   7.082   7.082
  114   2HD2  LEU  17          1HD2      LEU  17   0.725   7.518   7.518
  115   3HD2  LEU  17          3HD2      LEU  17   2.107   7.283   7.283
  116    H    THR  18           H        THR  18  -2.691   4.699   4.699
  117    HA   THR  18           HA       THR  18  -4.503   3.015   3.015
  118    HB   THR  18           HB       THR  18  -6.062   3.190   3.190
  119    HG1  THR  18           HG1      THR  18  -5.209   3.456   3.456
  120   1HG2  THR  18          1HG2      THR  18  -5.429   5.196   5.196
  121   2HG2  THR  18          3HG2      THR  18  -5.046   5.982   5.982
  122   3HG2  THR  18          2HG2      THR  18  -6.670   5.358   5.358
  123    H    GLY  19           H        GLY  19  -1.725   2.444   2.444
  124   1HA   GLY  19          2HA       GLY  19  -2.619  -0.020  -0.020
  125   2HA   GLY  19          1HA       GLY  19  -1.042   0.746   0.746
  126    H    THR  20           H        THR  20  -0.670  -1.770  -1.770
  127    HA   THR  20           HA       THR  20   0.269  -1.874  -1.874
  128    HB   THR  20           HB       THR  20  -1.582  -3.965  -3.965
  129    HG1  THR  20           HG1      THR  20  -2.768  -2.302  -2.302
  130   1HG2  THR  20          1HG2      THR  20  -0.144  -3.866  -3.866
  131   2HG2  THR  20          3HG2      THR  20  -1.327  -5.083  -5.083
  132   3HG2  THR  20          2HG2      THR  20   0.216  -4.974  -4.974
  133    H    VAL  21           H        VAL  21   2.179  -3.018  -3.018
  134    HA   VAL  21           HA       VAL  21   3.147  -4.299  -4.299
  135    HB   VAL  21           HB       VAL  21   4.600  -3.031  -3.031
  136   1HG1  VAL  21          2HG1      VAL  21   5.585  -4.896  -4.896
  137   2HG1  VAL  21          1HG1      VAL  21   6.654  -3.660  -3.660
  138   3HG1  VAL  21          3HG1      VAL  21   5.967  -4.894  -4.894
  139   1HG2  VAL  21          2HG2      VAL  21   3.633  -1.752  -1.752
  140   2HG2  VAL  21          1HG2      VAL  21   5.286  -1.416  -1.416
  141   3HG2  VAL  21          3HG2      VAL  21   4.991  -2.479  -2.479
  142    H    ASP  22           H        ASP  22   2.792  -6.475  -6.475
  143    HA   ASP  22           HA       ASP  22   3.106  -7.835  -7.835
  144   1HB   ASP  22          2HB       ASP  22   1.902  -8.751  -8.751
  145   2HB   ASP  22          1HB       ASP  22   2.058  -9.780  -9.780
  146    H    LEU  23           H        LEU  23   5.048  -8.771  -8.771
  147    HA   LEU  23           HA       LEU  23   7.172  -8.954  -8.954
  148   1HB   LEU  23          2HB       LEU  23   6.603  -9.947  -9.947
  149   2HB   LEU  23          1HB       LEU  23   7.642 -11.035 -11.035
  150    HG   LEU  23           HG       LEU  23   9.042  -9.417  -9.417
  151   1HD1  LEU  23          1HD1      LEU  23   8.906  -9.687  -9.687
  152   2HD1  LEU  23          3HD1      LEU  23   9.472  -8.067  -8.067
  153   3HD1  LEU  23          2HD1      LEU  23  10.329  -9.480  -9.480
  154   1HD2  LEU  23          2HD2      LEU  23   6.889  -7.627  -7.627
  155   2HD2  LEU  23          1HD2      LEU  23   8.147  -7.390  -7.390
  156   3HD2  LEU  23          3HD2      LEU  23   8.456  -6.970  -6.970
  157    H    GLY  24           H        GLY  24   7.655 -10.415 -10.415
  158   1HA   GLY  24          2HA       GLY  24   7.688 -12.694 -12.694
  159   2HA   GLY  24          1HA       GLY  24   6.177 -13.005 -13.005
  160    H    SER  25           H        SER  25   4.238 -11.810 -11.810
  161    HA   SER  25           HA       SER  25   4.269 -10.443 -10.443
  162   1HB   SER  25          2HB       SER  25   4.437 -13.257 -13.257
  163   2HB   SER  25          1HB       SER  25   2.770 -12.847 -12.847
  164    HG   SER  25           HG       SER  25   4.865 -11.328 -11.328
  165    H    CYS  26           H        CYS  26   1.927 -10.229 -10.229
  166    HA   CYS  26           HA       CYS  26   0.235  -9.466  -9.466
  167   1HB   CYS  26          2HB       CYS  26  -0.185  -9.712  -9.712
  168   2HB   CYS  26          1HB       CYS  26  -1.518  -9.293  -9.293
  169    H    ASN  27           H        ASN  27  -2.281 -10.345 -10.345
  170    HA   ASN  27           HA       ASN  27  -2.182 -13.314 -13.314
  171   1HB   ASN  27          2HB       ASN  27  -3.415 -11.747 -11.747
  172   2HB   ASN  27          1HB       ASN  27  -3.484 -13.498 -13.498
  173   1HD2  ASN  27          2HD2      ASN  27   0.124 -13.826 -13.826
  174   2HD2  ASN  27          1HD2      ASN  27  -1.025 -14.372 -14.372
  175    H    ALA  28           H        ALA  28  -4.735 -13.964 -13.964
  176    HA   ALA  28           HA       ALA  28  -6.180 -12.702 -12.702
  177   1HB   ALA  28          1HB       ALA  28  -6.238 -15.233 -15.233
  178   2HB   ALA  28          3HB       ALA  28  -7.849 -14.520 -14.520
  179   3HB   ALA  28          2HB       ALA  28  -7.068 -14.765 -14.765
  180    H    GLY  29           H        GLY  29  -8.055 -11.450 -11.450
  181   1HA   GLY  29          2HA       GLY  29  -9.900 -10.510 -10.510
  182   2HA   GLY  29          1HA       GLY  29  -9.031 -10.889 -10.889
  183    H    TRP  30           H        TRP  30  -6.598  -9.752  -9.752
  184    HA   TRP  30           HA       TRP  30  -7.044  -6.961  -6.961
  185   1HB   TRP  30          2HB       TRP  30  -4.572  -8.603  -8.603
  186   2HB   TRP  30          1HB       TRP  30  -4.492  -6.846  -6.846
  187    HD1  TRP  30           HD1      TRP  30  -5.814  -9.853  -9.853
  188    HE1  TRP  30           HE1      TRP  30  -5.543  -9.301  -9.301
  189    HE3  TRP  30           HE3      TRP  30  -3.999  -5.091  -5.091
  190    HZ2  TRP  30           HZ2      TRP  30  -4.671  -7.128  -7.128
  191    HZ3  TRP  30           HZ3      TRP  30  -3.457  -3.805  -3.805
  192    HH2  TRP  30           HH2      TRP  30  -3.790  -4.815  -4.815
  193    H    GLU  31           H        GLU  31  -6.407  -5.190  -5.190
  194    HA   GLU  31           HA       GLU  31  -6.603  -5.938  -5.938
  195   1HB   GLU  31          2HB       GLU  31  -7.486  -3.468  -3.468
  196   2HB   GLU  31          1HB       GLU  31  -7.375  -3.512  -3.512
  197   1HG   GLU  31          2HG       GLU  31  -8.786  -5.832  -5.832
  198   2HG   GLU  31          1HG       GLU  31  -9.572  -4.310  -4.310
  199    H    LYS  32           H        LYS  32  -4.477  -6.030  -6.030
  200    HA   LYS  32           HA       LYS  32  -2.236  -4.727  -4.727
  201   1HB   LYS  32          2HB       LYS  32  -2.527  -6.335  -6.335
  202   2HB   LYS  32          1HB       LYS  32  -2.680  -4.846  -4.846
  203   1HG   LYS  32          2HG       LYS  32  -0.501  -4.143  -4.143
  204   2HG   LYS  32          1HG       LYS  32  -0.396  -5.203  -5.203
  205   1HD   LYS  32          2HD       LYS  32   0.743  -6.611  -6.611
  206   2HD   LYS  32          1HD       LYS  32  -0.833  -6.989  -6.989
  207   1HE   LYS  32          2HE       LYS  32   0.058  -4.556  -4.556
  208   2HE   LYS  32          1HE       LYS  32   1.396  -5.701  -5.701
  209   1HZ   LYS  32          2HZ       LYS  32  -0.244  -7.345  -7.345
  210   2HZ   LYS  32          1HZ       LYS  32  -1.361  -6.073  -6.073
  211   3HZ   LYS  32          3HZ       LYS  32   0.080  -6.040  -6.040
  212    H    CYS  33           H        CYS  33  -1.732  -2.614  -2.614
  213    HA   CYS  33           HA       CYS  33  -3.294  -0.584  -0.584
  214   1HB   CYS  33          2HB       CYS  33  -2.682  -0.792  -0.792
  215   2HB   CYS  33          1HB       CYS  33  -1.598   0.464   0.464
  216    H    ALA  34           H        ALA  34  -0.156  -1.955  -1.955
  217    HA   ALA  34           HA       ALA  34   0.885   0.069   0.069
  218   1HB   ALA  34          3HB       ALA  34   1.600   0.498   0.498
  219   2HB   ALA  34          2HB       ALA  34   2.604  -0.938  -0.938
  220   3HB   ALA  34          1HB       ALA  34   2.864   0.465   0.465
  221    H    SER  35           H        SER  35   1.801  -0.966  -0.966
  222    HA   SER  35           HA       SER  35   1.851  -3.706  -3.706
  223   1HB   SER  35          2HB       SER  35   4.031  -3.046  -3.046
  224   2HB   SER  35          1HB       SER  35   2.404  -2.604  -2.604
  225    HG   SER  35           HG       SER  35   3.775  -0.926  -0.926
  226    H    TYR  36           H        TYR  36   4.060  -1.790  -1.790
  227    HA   TYR  36           HA       TYR  36   5.262  -4.254  -4.254
  228   1HB   TYR  36          2HB       TYR  36   6.584  -3.308  -3.308
  229   2HB   TYR  36          1HB       TYR  36   7.204  -2.159  -2.159
  230    HD1  TYR  36           HD1      TYR  36   6.251  -5.756  -5.756
  231    HD2  TYR  36           HD2      TYR  36   9.405  -2.841  -2.841
  232    HE1  TYR  36           HE1      TYR  36   7.819  -7.477  -7.477
  233    HE2  TYR  36           HE2      TYR  36  10.974  -4.563  -4.563
  234    HH   TYR  36           HH       TYR  36  10.338  -7.072  -7.072
  235    H    TYR  37           H        TYR  37   7.521  -2.402  -2.402
  236    HA   TYR  37           HA       TYR  37   6.296  -0.326  -0.326
  237   1HB   TYR  37          2HB       TYR  37   5.199  -2.138  -2.138
  238   2HB   TYR  37          1HB       TYR  37   6.729  -2.997  -2.997
  239    HD1  TYR  37           HD1      TYR  37   6.296   0.670   0.670
  240    HD2  TYR  37           HD2      TYR  37   6.835  -3.055  -3.055
  241    HE1  TYR  37           HE1      TYR  37   6.740   1.904   1.904
  242    HE2  TYR  37           HE2      TYR  37   7.279  -1.822  -1.822
  243    HH   TYR  37           HH       TYR  37   8.229   0.769   0.769
  244    H    THR  38           H        THR  38   8.652  -2.769  -2.769
  245    HA   THR  38           HA       THR  38  10.783  -0.697  -0.697
  246    HB   THR  38           HB       THR  38  10.088  -0.964  -0.964
  247    HG1  THR  38           HG1      THR  38  12.229  -1.495  -1.495
  248   1HG2  THR  38          2HG2      THR  38  10.130  -3.732  -3.732
  249   2HG2  THR  38          1HG2      THR  38  11.255  -3.476  -3.476
  250   3HG2  THR  38          3HG2      THR  38   9.564  -3.002  -3.002
  251    H    ILE  39           H        ILE  39  12.395  -3.183  -3.183
  252    HA   ILE  39           HA       ILE  39  12.653  -4.631  -4.631
  253    HB   ILE  39           HB       ILE  39  14.808  -3.660  -3.660
  254   1HG1  ILE  39          2HG1      ILE  39  14.158  -2.046  -2.046
  255   2HG1  ILE  39          1HG1      ILE  39  15.707  -2.738  -2.738
  256   1HG2  ILE  39          1HG2      ILE  39  14.894  -5.779  -5.779
  257   2HG2  ILE  39          3HG2      ILE  39  16.338  -4.902  -4.902
  258   3HG2  ILE  39          2HG2      ILE  39  15.459  -5.897  -5.897
  259   1HD1  ILE  39          1HD1      ILE  39  14.085  -4.491  -4.491
  260   2HD1  ILE  39          3HD1      ILE  39  13.011  -3.092  -3.092
  261   3HD1  ILE  39          2HD1      ILE  39  14.591  -2.987  -2.987
  262    H    ILE  40           H        ILE  40  11.706  -4.894  -4.894
  263    HA   ILE  40           HA       ILE  40  12.256  -7.815  -7.815
  264    HB   ILE  40           HB       ILE  40  12.827  -5.865  -5.865
  265   1HG1  ILE  40          2HG1      ILE  40  14.645  -6.222  -6.222
  266   2HG1  ILE  40          1HG1      ILE  40  15.049  -6.978  -6.978
  267   1HG2  ILE  40          1HG2      ILE  40  12.130  -8.754  -8.754
  268   2HG2  ILE  40          3HG2      ILE  40  13.501  -8.260  -8.260
  269   3HG2  ILE  40          2HG2      ILE  40  11.919  -7.524  -7.524
  270   1HD1  ILE  40          2HD1      ILE  40  13.682  -8.985  -8.985
  271   2HD1  ILE  40          1HD1      ILE  40  14.600  -8.216  -8.216
  272   3HD1  ILE  40          3HD1      ILE  40  15.437  -8.855  -8.855
  273    H    ALA  41           H        ALA  41   9.976  -5.586  -5.586
  274    HA   ALA  41           HA       ALA  41   7.965  -7.296  -7.296
  275   1HB   ALA  41          2HB       ALA  41   9.000  -4.936  -4.936
  276   2HB   ALA  41          1HB       ALA  41   7.278  -4.759  -4.759
  277   3HB   ALA  41          3HB       ALA  41   7.856  -6.139  -6.139
  278    H    ASP  42           H        ASP  42   5.742  -5.887  -5.887
  279    HA   ASP  42           HA       ASP  42   5.752  -4.519  -4.519
  280   1HB   ASP  42          2HB       ASP  42   3.583  -6.422  -6.422
  281   2HB   ASP  42          1HB       ASP  42   3.792  -5.721  -5.721
  282    H    CYS  43           H        CYS  43   2.804  -4.263  -4.263
  283    HA   CYS  43           HA       CYS  43   2.204  -2.854  -2.854
  284   1HB   CYS  43          2HB       CYS  43   3.216  -1.380  -1.380
  285   2HB   CYS  43          1HB       CYS  43   1.786  -0.701  -0.701
  286    H    CYS  44           H        CYS  44   0.299  -4.091  -4.091
  287    HA   CYS  44           HA       CYS  44  -1.507  -3.804  -3.804
  288   1HB   CYS  44          2HB       CYS  44  -1.177  -5.790  -5.790
  289   2HB   CYS  44          1HB       CYS  44  -2.831  -5.490  -5.490
  290    H    ARG  45           H        ARG  45  -3.954  -3.758  -3.758
  291    HA   ARG  45           HA       ARG  45  -4.205  -1.857  -1.857
  292   1HB   ARG  45          2HB       ARG  45  -4.133  -0.472  -0.472
  293   2HB   ARG  45          1HB       ARG  45  -5.387  -1.461  -1.461
  294   1HG   ARG  45          2HG       ARG  45  -6.266  -0.585  -0.585
  295   2HG   ARG  45          1HG       ARG  45  -5.756   0.806   0.806
  296   1HD   ARG  45          2HD       ARG  45  -7.560  -1.327  -1.327
  297   2HD   ARG  45          1HD       ARG  45  -8.206   0.052   0.052
  298    HE   ARG  45           HE       ARG  45  -6.370   0.831   0.831
  299   1HH1  ARG  45          1HH2      ARG  45  -8.994   2.113   2.113
  300   2HH1  ARG  45          2HH2      ARG  45  -9.985   2.019   2.019
  301   1HH2  ARG  45          2HH1      ARG  45  -7.901  -0.223  -0.223
  302   2HH2  ARG  45          1HH1      ARG  45  -9.366   0.696   0.696
  303    H    LYS  46           H        LYS  46  -5.247  -3.445  -3.445
  304    HA   LYS  46           HA       LYS  46  -7.117  -5.349  -5.349
  305   1HB   LYS  46          2HB       LYS  46  -6.215  -4.452  -4.452
  306   2HB   LYS  46          1HB       LYS  46  -7.835  -3.757  -3.757
  307   1HG   LYS  46          2HG       LYS  46  -8.262  -6.333  -6.333
  308   2HG   LYS  46          1HG       LYS  46  -7.011  -6.549  -6.549
  309   1HD   LYS  46          2HD       LYS  46  -9.454  -4.866  -4.866
  310   2HD   LYS  46          1HD       LYS  46  -9.478  -6.614  -6.614
  311   1HE   LYS  46          2HE       LYS  46  -8.781  -5.955  -5.955
  312   2HE   LYS  46          1HE       LYS  46  -7.213  -6.106  -6.106
  313   1HZ   LYS  46          3HZ       LYS  46  -8.236  -3.563  -3.563
  314   2HZ   LYS  46          2HZ       LYS  46  -8.375  -3.822  -3.822
  315   3HZ   LYS  46          1HZ       LYS  46  -6.863  -3.966  -3.966
  316    H    LYS  47           H        LYS  47  -9.454  -5.360  -5.360
  317    HA   LYS  47           HA       LYS  47 -10.560  -3.177  -3.177
  318   1HB   LYS  47          2HB       LYS  47 -12.004  -5.388  -5.388
  319   2HB   LYS  47          1HB       LYS  47 -12.702  -4.367  -4.367
  320   1HG   LYS  47          2HG       LYS  47 -11.545  -5.416  -5.416
  321   2HG   LYS  47          1HG       LYS  47 -10.175  -5.811  -5.811
  322   1HD   LYS  47          2HD       LYS  47 -11.072  -7.799  -7.799
  323   2HD   LYS  47          1HD       LYS  47 -12.691  -7.118  -7.118
  324   1HE   LYS  47          2HE       LYS  47 -12.900  -8.606  -8.606
  325   2HE   LYS  47          1HE       LYS  47 -12.696  -7.034  -7.034
  326   1HZ   LYS  47          1HZ       LYS  47 -10.412  -8.826  -8.826
  327   2HZ   LYS  47          3HZ       LYS  47 -11.277  -8.902  -8.902
  328   3HZ   LYS  47          2HZ       LYS  47 -10.452  -7.478  -7.478
  329    H    LYS  48           H        LYS  48 -10.420  -1.232  -1.232
  330    HA   LYS  48           HA       LYS  48 -12.476  -0.854  -0.854
  331   1HB   LYS  48          2HB       LYS  48 -10.661   0.234   0.234
  332   2HB   LYS  48          1HB       LYS  48 -10.855  -1.519  -1.519
  333   1HG   LYS  48          2HG       LYS  48  -8.948  -1.866  -1.866
  334   2HG   LYS  48          1HG       LYS  48  -8.895  -0.172  -0.172
  335   1HD   LYS  48          2HD       LYS  48  -8.761  -0.163  -0.163
  336   2HD   LYS  48          1HD       LYS  48  -7.658  -1.432  -1.432
  337   1HE   LYS  48          2HE       LYS  48  -6.415   0.076   0.076
  338   2HE   LYS  48          1HE       LYS  48  -7.666   1.316   1.316
  339   1HZ   LYS  48          2HZ       LYS  48  -6.138   0.316   0.316
  340   2HZ   LYS  48          1HZ       LYS  48  -5.713   1.706   1.706
  341   3HZ   LYS  48          3HZ       LYS  48  -7.189   1.650   1.650
  342   1H    NH2  49          1HT       LYS  48 -13.080   0.576   0.576
  343   2H    NH2  49          2HT       LYS  48 -12.360   2.109   2.109

  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1   4.254  -3.694  -3.694
    2   2H    ALA   1          2H        ALA   1   5.184  -4.536  -4.536
    3   3H    ALA   1          1H        ALA   1   5.918  -3.909  -3.909
    4    HA   ALA   1           HA       ALA   1   5.843  -1.742  -1.742
    5   1HB   ALA   1          2HB       ALA   1   6.111  -3.460  -3.460
    6   2HB   ALA   1          1HB       ALA   1   6.674  -1.797  -1.797
    7   3HB   ALA   1          3HB       ALA   1   7.409  -3.071  -3.071
    8    H    ALA   2           H        ALA   2   4.539  -0.091  -0.091
    9    HA   ALA   2           HA       ALA   2   1.949  -0.895  -0.895
   10   1HB   ALA   2          3HB       ALA   2   2.820   1.648   1.648
   11   2HB   ALA   2          2HB       ALA   2   1.235   1.422   1.422
   12   3HB   ALA   2          1HB       ALA   2   1.724   0.417   0.417
   13    H    CYS   3           H        CYS   3   1.087   1.033   1.033
   14    HA   CYS   3           HA       CYS   3   2.996   2.553   2.553
   15   1HB   CYS   3          2HB       CYS   3   3.784   0.445   0.445
   16   2HB   CYS   3          1HB       CYS   3   2.137  -0.109  -0.109
   17    H    LYS   4           H        LYS   4   1.921   3.944   3.944
   18    HA   LYS   4           HA       LYS   4  -1.015   3.958   3.958
   19   1HB   LYS   4          2HB       LYS   4  -0.870   6.151   6.151
   20   2HB   LYS   4          1HB       LYS   4   0.275   6.065   6.065
   21   1HG   LYS   4          2HG       LYS   4   1.674   5.053   5.053
   22   2HG   LYS   4          1HG       LYS   4   0.799   6.456   6.456
   23   1HD   LYS   4          2HD       LYS   4   2.473   7.695   7.695
   24   2HD   LYS   4          1HD       LYS   4   1.745   7.337   7.337
   25   1HE   LYS   4          2HE       LYS   4   3.399   5.892   5.892
   26   2HE   LYS   4          1HE       LYS   4   3.462   5.183   5.183
   27   1HZ   LYS   4          3HZ       LYS   4   4.428   7.919   7.919
   28   2HZ   LYS   4          2HZ       LYS   4   5.395   6.685   6.685
   29   3HZ   LYS   4          1HZ       LYS   4   4.996   6.670   6.670
   30    H    CYS   5           H        CYS   5  -1.969   4.896   4.896
   31    HA   CYS   5           HA       CYS   5  -1.242   2.758   2.758
   32   1HB   CYS   5          2HB       CYS   5  -3.822   4.022   4.022
   33   2HB   CYS   5          1HB       CYS   5  -3.641   3.562   3.562
   34    H    ASP   6           H        ASP   6  -0.880   3.354   3.354
   35    HA   ASP   6           HA       ASP   6   0.199   5.939   5.939
   36   1HB   ASP   6          2HB       ASP   6   0.473   3.693   3.693
   37   2HB   ASP   6          1HB       ASP   6  -0.945   4.249   4.249
   38    H    ASP   7           H        ASP   7  -3.068   4.752   4.752
   39    HA   ASP   7           HA       ASP   7  -4.233   6.632   6.632
   40   1HB   ASP   7          2HB       ASP   7  -5.349   5.285   5.285
   41   2HB   ASP   7          1HB       ASP   7  -6.327   6.254   6.254
   42    H    GLU   8           H        GLU   8  -3.292   6.922   6.922
   43    HA   GLU   8           HA       GLU   8  -4.459   9.630   9.630
   44   1HB   GLU   8          2HB       GLU   8  -2.819   8.056   8.056
   45   2HB   GLU   8          1HB       GLU   8  -3.647   9.581   9.581
   46   1HG   GLU   8          2HG       GLU   8  -5.555   7.833   7.833
   47   2HG   GLU   8          1HG       GLU   8  -4.721   6.918   6.918
   48    H    GLY   9           H        GLY   9  -1.249   8.087   8.087
   49   1HA   GLY   9          2HA       GLY   9   0.847   8.986   8.986
   50   2HA   GLY   9          1HA       GLY   9  -0.019  10.313  10.313
   51    HA   PRO  10           HA       PRO  10   1.974  12.204  12.204
   52   1HB   PRO  10          2HB       PRO  10   2.845  14.403  14.403
   53   2HB   PRO  10          1HB       PRO  10   3.745  12.882  12.882
   54   1HG   PRO  10          2HG       PRO  10   2.185  14.036  14.036
   55   2HG   PRO  10          1HG       PRO  10   3.561  12.925  12.925
   56   1HD   PRO  10          2HD       PRO  10   0.833  12.230  12.230
   57   2HD   PRO  10          1HD       PRO  10   2.185  11.100  11.100
   58    H    ASP  11           H        ASP  11  -0.531  12.362  12.362
   59    HA   ASP  11           HA       ASP  11  -1.923  14.726  14.726
   60   1HB   ASP  11          2HB       ASP  11  -2.407  12.685  12.685
   61   2HB   ASP  11          1HB       ASP  11  -3.422  14.123  14.123
   62    H    ILE  12           H        ILE  12  -1.127  16.712  16.712
   63    HA   ILE  12           HA       ILE  12  -0.352  18.464  18.464
   64    HB   ILE  12           HB       ILE  12  -1.855  16.804  16.804
   65   1HG1  ILE  12          2HG1      ILE  12  -3.107  18.003  18.003
   66   2HG1  ILE  12          1HG1      ILE  12  -3.484  18.624  18.624
   67   1HG2  ILE  12          3HG2      ILE  12   0.014  18.985  18.985
   68   2HG2  ILE  12          2HG2      ILE  12  -1.606  19.325  19.325
   69   3HG2  ILE  12          1HG2      ILE  12  -0.750  17.880  17.880
   70   1HD1  ILE  12          3HD1      ILE  12  -1.356  20.191  20.191
   71   2HD1  ILE  12          2HD1      ILE  12  -2.052  19.929  19.929
   72   3HD1  ILE  12          1HD1      ILE  12  -3.030  20.645  20.645
   73    H    ARG  13           H        ARG  13  -0.068  16.262  16.262
   74    HA   ARG  13           HA       ARG  13   2.843  16.741  16.741
   75   1HB   ARG  13          2HB       ARG  13   0.846  16.299  16.299
   76   2HB   ARG  13          1HB       ARG  13   1.943  14.920  14.920
   77   1HG   ARG  13          2HG       ARG  13   3.868  16.460  16.460
   78   2HG   ARG  13          1HG       ARG  13   2.769  17.838  17.838
   79   1HD   ARG  13          2HD       ARG  13   2.776  15.696  15.696
   80   2HD   ARG  13          1HD       ARG  13   3.389  17.339  17.339
   81    HE   ARG  13           HE       ARG  13   0.508  16.718  16.718
   82   1HH1  ARG  13          1HH2      ARG  13   2.245  19.440  19.440
   83   2HH1  ARG  13          2HH2      ARG  13   1.569  20.182  20.182
   84   1HH2  ARG  13          2HH1      ARG  13  -0.024  17.296  17.296
   85   2HH2  ARG  13          1HH1      ARG  13   0.284  18.969  18.969
   86    H    THR  14           H        THR  14   0.967  13.760  13.760
   87    HA   THR  14           HA       THR  14   2.690  12.343  12.343
   88    HB   THR  14           HB       THR  14   3.916  11.702  11.702
   89    HG1  THR  14           HG1      THR  14   3.427   9.653   9.653
   90   1HG2  THR  14          3HG2      THR  14   1.468  12.505  12.505
   91   2HG2  THR  14          2HG2      THR  14   2.299  11.137  11.137
   92   3HG2  THR  14          1HG2      THR  14   3.155  12.658  12.658
   93    H    ALA  15           H        ALA  15   0.680  10.746  10.746
   94    HA   ALA  15           HA       ALA  15  -1.772  10.700  10.700
   95   1HB   ALA  15          2HB       ALA  15   0.252   8.591   8.591
   96   2HB   ALA  15          1HB       ALA  15  -1.467   8.203   8.203
   97   3HB   ALA  15          3HB       ALA  15  -0.837   9.485   9.485
   98    HA   PRO  16           HA       PRO  16  -2.930   8.560   8.560
   99   1HB   PRO  16          2HB       PRO  16  -5.258   7.414   7.414
  100   2HB   PRO  16          1HB       PRO  16  -5.079   9.151   9.151
  101   1HG   PRO  16          2HG       PRO  16  -5.272   7.687   7.687
  102   2HG   PRO  16          1HG       PRO  16  -5.675   9.369   9.369
  103   1HD   PRO  16          2HD       PRO  16  -3.320   8.426   8.426
  104   2HD   PRO  16          1HD       PRO  16  -3.634  10.085  10.085
  105    H    LEU  17           H        LEU  17  -1.325   6.974   6.974
  106    HA   LEU  17           HA       LEU  17  -0.759   4.744   4.744
  107   1HB   LEU  17          2HB       LEU  17  -1.213   4.957   4.957
  108   2HB   LEU  17          1HB       LEU  17  -0.831   3.385   3.385
  109    HG   LEU  17           HG       LEU  17   1.207   4.611   4.611
  110   1HD1  LEU  17          1HD1      LEU  17   1.018   3.047   3.047
  111   2HD1  LEU  17          3HD1      LEU  17   1.247   4.537   4.537
  112   3HD1  LEU  17          2HD1      LEU  17   2.483   4.003   4.003
  113   1HD2  LEU  17          3HD2      LEU  17  -0.029   6.844   6.844
  114   2HD2  LEU  17          2HD2      LEU  17   1.723   6.731   6.731
  115   3HD2  LEU  17          1HD2      LEU  17   0.969   6.490   6.490
  116    H    THR  18           H        THR  18  -2.973   4.751   4.751
  117    HA   THR  18           HA       THR  18  -5.081   3.179   3.179
  118    HB   THR  18           HB       THR  18  -6.030   3.287   3.287
  119    HG1  THR  18           HG1      THR  18  -4.968   4.510   4.510
  120   1HG2  THR  18          3HG2      THR  18  -5.707   5.462   5.462
  121   2HG2  THR  18          2HG2      THR  18  -6.410   5.889   5.889
  122   3HG2  THR  18          1HG2      THR  18  -7.173   4.655   4.655
  123    H    GLY  19           H        GLY  19  -2.190   2.247   2.247
  124   1HA   GLY  19          2HA       GLY  19  -3.214  -0.336  -0.336
  125   2HA   GLY  19          1HA       GLY  19  -1.774   0.428   0.428
  126    H    THR  20           H        THR  20  -1.606  -2.143  -2.143
  127    HA   THR  20           HA       THR  20   0.117  -1.640  -1.640
  128    HB   THR  20           HB       THR  20  -1.480  -4.175  -4.175
  129    HG1  THR  20           HG1      THR  20  -2.433  -1.900  -1.900
  130   1HG2  THR  20          1HG2      THR  20   0.416  -3.647  -3.647
  131   2HG2  THR  20          3HG2      THR  20  -0.733  -2.542  -2.542
  132   3HG2  THR  20          2HG2      THR  20  -1.098  -4.266  -4.266
  133    H    VAL  21           H        VAL  21   1.924  -3.078  -3.078
  134    HA   VAL  21           HA       VAL  21   2.556  -4.422  -4.422
  135    HB   VAL  21           HB       VAL  21   4.291  -3.488  -3.488
  136   1HG1  VAL  21          3HG1      VAL  21   5.023  -5.061  -5.061
  137   2HG1  VAL  21          2HG1      VAL  21   6.195  -4.266  -4.266
  138   3HG1  VAL  21          1HG1      VAL  21   5.206  -5.589  -5.589
  139   1HG2  VAL  21          3HG2      VAL  21   3.468  -2.429  -2.429
  140   2HG2  VAL  21          2HG2      VAL  21   4.221  -1.596  -1.596
  141   3HG2  VAL  21          1HG2      VAL  21   5.221  -2.467  -2.467
  142    H    ASP  22           H        ASP  22   3.215  -6.610  -6.610
  143    HA   ASP  22           HA       ASP  22   3.012  -8.096  -8.096
  144   1HB   ASP  22          2HB       ASP  22   1.018  -8.129  -8.129
  145   2HB   ASP  22          1HB       ASP  22   1.945  -9.594  -9.594
  146    H    LEU  23           H        LEU  23   4.854  -9.254  -9.254
  147    HA   LEU  23           HA       LEU  23   6.977  -9.462  -9.462
  148   1HB   LEU  23          2HB       LEU  23   6.030 -11.063 -11.063
  149   2HB   LEU  23          1HB       LEU  23   7.139 -11.902 -11.902
  150    HG   LEU  23           HG       LEU  23   8.304 -10.660 -10.660
  151   1HD1  LEU  23          3HD1      LEU  23   8.999 -10.910 -10.910
  152   2HD1  LEU  23          2HD1      LEU  23   9.133  -9.167  -9.167
  153   3HD1  LEU  23          1HD1      LEU  23  10.064 -10.263 -10.263
  154   1HD2  LEU  23          3HD2      LEU  23   6.471  -8.722  -8.722
  155   2HD2  LEU  23          2HD2      LEU  23   8.056  -8.394  -8.394
  156   3HD2  LEU  23          1HD2      LEU  23   7.769  -8.088  -8.088
  157    H    GLY  24           H        GLY  24   6.432  -9.858  -9.858
  158   1HA   GLY  24          2HA       GLY  24   6.593 -12.004 -12.004
  159   2HA   GLY  24          1HA       GLY  24   5.120 -12.483 -12.483
  160    H    SER  25           H        SER  25   3.266 -10.862 -10.862
  161    HA   SER  25           HA       SER  25   3.183  -8.877  -8.877
  162   1HB   SER  25          2HB       SER  25   3.291 -11.481 -11.481
  163   2HB   SER  25          1HB       SER  25   1.610 -10.979 -10.979
  164    HG   SER  25           HG       SER  25   3.884  -9.489  -9.489
  165    H    CYS  26           H        CYS  26   0.551  -9.238  -9.238
  166    HA   CYS  26           HA       CYS  26  -0.962  -8.467  -8.467
  167   1HB   CYS  26          2HB       CYS  26  -2.200  -9.382  -9.382
  168   2HB   CYS  26          1HB       CYS  26  -2.774  -8.142  -8.142
  169    H    ASN  27           H        ASN  27  -2.172  -9.726  -9.726
  170    HA   ASN  27           HA       ASN  27  -2.236 -12.647 -12.647
  171   1HB   ASN  27          2HB       ASN  27  -2.414 -10.984 -10.984
  172   2HB   ASN  27          1HB       ASN  27  -3.061 -12.625 -12.625
  173   1HD2  ASN  27          2HD2      ASN  27   0.634 -12.609 -12.609
  174   2HD2  ASN  27          1HD2      ASN  27  -0.678 -11.703 -11.703
  175    H    ALA  28           H        ALA  28  -4.372 -13.593 -13.593
  176    HA   ALA  28           HA       ALA  28  -6.573 -13.068 -13.068
  177   1HB   ALA  28          2HB       ALA  28  -6.339 -15.003 -15.003
  178   2HB   ALA  28          1HB       ALA  28  -6.758 -13.902 -13.902
  179   3HB   ALA  28          3HB       ALA  28  -7.927 -14.238 -14.238
  180    H    GLY  29           H        GLY  29  -7.977 -11.379 -11.379
  181   1HA   GLY  29          2HA       GLY  29  -9.337  -9.584  -9.584
  182   2HA   GLY  29          1HA       GLY  29  -8.648  -9.783  -9.783
  183    H    TRP  30           H        TRP  30  -6.362  -9.644  -9.644
  184    HA   TRP  30           HA       TRP  30  -5.890  -6.743  -6.743
  185   1HB   TRP  30          2HB       TRP  30  -3.865  -8.996  -8.996
  186   2HB   TRP  30          1HB       TRP  30  -3.419  -7.291  -7.291
  187    HD1  TRP  30           HD1      TRP  30  -4.777  -9.942  -9.942
  188    HE1  TRP  30           HE1      TRP  30  -4.780  -9.014  -9.014
  189    HE3  TRP  30           HE3      TRP  30  -3.598  -5.060  -5.060
  190    HZ2  TRP  30           HZ2      TRP  30  -4.341  -6.530  -6.530
  191    HZ3  TRP  30           HZ3      TRP  30  -3.398  -3.438  -3.438
  192    HH2  TRP  30           HH2      TRP  30  -3.767  -4.165  -4.165
  193    H    GLU  31           H        GLU  31  -5.733  -5.580  -5.580
  194    HA   GLU  31           HA       GLU  31  -5.224  -7.084  -7.084
  195   1HB   GLU  31          2HB       GLU  31  -6.790  -4.540  -4.540
  196   2HB   GLU  31          1HB       GLU  31  -6.418  -5.152  -5.152
  197   1HG   GLU  31          2HG       GLU  31  -7.520  -7.331  -7.331
  198   2HG   GLU  31          1HG       GLU  31  -8.078  -6.503  -6.503
  199    H    LYS  32           H        LYS  32  -3.333  -6.601  -6.601
  200    HA   LYS  32           HA       LYS  32  -1.286  -5.031  -5.031
  201   1HB   LYS  32          2HB       LYS  32  -1.533  -6.502  -6.502
  202   2HB   LYS  32          1HB       LYS  32  -1.723  -4.912  -4.912
  203   1HG   LYS  32          2HG       LYS  32   0.432  -4.260  -4.260
  204   2HG   LYS  32          1HG       LYS  32   0.509  -5.280  -5.280
  205   1HD   LYS  32          2HD       LYS  32   1.948  -6.333  -6.333
  206   2HD   LYS  32          1HD       LYS  32   0.458  -7.278  -7.278
  207   1HE   LYS  32          2HE       LYS  32   0.486  -6.931  -6.931
  208   2HE   LYS  32          1HE       LYS  32  -0.020  -5.284  -5.284
  209   1HZ   LYS  32          2HZ       LYS  32   2.819  -5.788  -5.788
  210   2HZ   LYS  32          1HZ       LYS  32   2.211  -5.899  -5.899
  211   3HZ   LYS  32          3HZ       LYS  32   2.004  -4.469  -4.469
  212    H    CYS  33           H        CYS  33  -0.830  -2.863  -2.863
  213    HA   CYS  33           HA       CYS  33  -2.750  -0.994  -0.994
  214   1HB   CYS  33          2HB       CYS  33  -2.566  -1.349  -1.349
  215   2HB   CYS  33          1HB       CYS  33  -1.385  -0.061  -0.061
  216    H    ALA  34           H        ALA  34   0.469  -1.985  -1.985
  217    HA   ALA  34           HA       ALA  34   1.366   0.469   0.469
  218   1HB   ALA  34          2HB       ALA  34   1.974   0.053   0.053
  219   2HB   ALA  34          1HB       ALA  34   3.375  -0.638  -0.638
  220   3HB   ALA  34          3HB       ALA  34   2.924   1.041   1.041
  221    H    SER  35           H        SER  35   3.407   0.081   0.081
  222    HA   SER  35           HA       SER  35   3.433  -2.636  -2.636
  223   1HB   SER  35          2HB       SER  35   4.339   0.017   0.017
  224   2HB   SER  35          1HB       SER  35   5.553  -1.219  -1.219
  225    HG   SER  35           HG       SER  35   4.001  -0.958  -0.958
  226    H    TYR  36           H        TYR  36   4.162  -3.404  -3.404
  227    HA   TYR  36           HA       TYR  36   5.912  -4.526  -4.526
  228   1HB   TYR  36          2HB       TYR  36   6.938  -4.302  -4.302
  229   2HB   TYR  36          1HB       TYR  36   8.051  -3.247  -3.247
  230    HD1  TYR  36           HD1      TYR  36   6.358  -6.566  -6.566
  231    HD2  TYR  36           HD2      TYR  36   9.939  -4.236  -4.236
  232    HE1  TYR  36           HE1      TYR  36   7.537  -8.552  -8.552
  233    HE2  TYR  36           HE2      TYR  36  11.118  -6.221  -6.221
  234    HH   TYR  36           HH       TYR  36   9.497  -9.385  -9.385
  235    H    TYR  37           H        TYR  37   5.631  -3.290  -3.290
  236    HA   TYR  37           HA       TYR  37   6.206  -0.642  -0.642
  237   1HB   TYR  37          2HB       TYR  37   5.315  -2.070  -2.070
  238   2HB   TYR  37          1HB       TYR  37   6.782  -3.048  -3.048
  239    HD1  TYR  37           HD1      TYR  37   6.166   0.654   0.654
  240    HD2  TYR  37           HD2      TYR  37   7.966  -2.695  -2.695
  241    HE1  TYR  37           HE1      TYR  37   7.174   2.189   2.189
  242    HE2  TYR  37           HE2      TYR  37   8.974  -1.160  -1.160
  243    HH   TYR  37           HH       TYR  37   8.312   1.274   1.274
  244    H    THR  38           H        THR  38   8.618  -2.737  -2.737
  245    HA   THR  38           HA       THR  38  10.716  -1.034  -1.034
  246    HB   THR  38           HB       THR  38  10.569  -0.974  -0.974
  247    HG1  THR  38           HG1      THR  38  12.578  -0.663  -0.663
  248   1HG2  THR  38          2HG2      THR  38  10.225  -3.768  -3.768
  249   2HG2  THR  38          1HG2      THR  38  11.727  -3.532  -3.532
  250   3HG2  THR  38          3HG2      THR  38  10.221  -2.846  -2.846
  251    H    ILE  39           H        ILE  39  12.469  -3.467  -3.467
  252    HA   ILE  39           HA       ILE  39  12.149  -5.146  -5.146
  253    HB   ILE  39           HB       ILE  39  14.642  -4.308  -4.308
  254   1HG1  ILE  39          2HG1      ILE  39  13.829  -2.749  -2.749
  255   2HG1  ILE  39          1HG1      ILE  39  15.313  -3.532  -3.532
  256   1HG2  ILE  39          3HG2      ILE  39  14.114  -6.639  -6.639
  257   2HG2  ILE  39          2HG2      ILE  39  15.655  -5.796  -5.796
  258   3HG2  ILE  39          1HG2      ILE  39  15.199  -6.516  -6.516
  259   1HD1  ILE  39          3HD1      ILE  39  13.561  -5.301  -5.301
  260   2HD1  ILE  39          2HD1      ILE  39  12.515  -3.882  -3.882
  261   3HD1  ILE  39          1HD1      ILE  39  14.027  -3.858  -3.858
  262    H    ILE  40           H        ILE  40  11.651  -5.098  -5.098
  263    HA   ILE  40           HA       ILE  40  11.985  -8.053  -8.053
  264    HB   ILE  40           HB       ILE  40  12.857  -5.942  -5.942
  265   1HG1  ILE  40          2HG1      ILE  40  14.422  -6.829  -6.829
  266   2HG1  ILE  40          1HG1      ILE  40  14.981  -7.070  -7.070
  267   1HG2  ILE  40          1HG2      ILE  40  12.169  -8.845  -8.845
  268   2HG2  ILE  40          3HG2      ILE  40  13.333  -8.009  -8.009
  269   3HG2  ILE  40          2HG2      ILE  40  11.665  -7.441  -7.441
  270   1HD1  ILE  40          1HD1      ILE  40  13.334  -9.298  -9.298
  271   2HD1  ILE  40          3HD1      ILE  40  14.542  -9.052  -9.052
  272   3HD1  ILE  40          2HD1      ILE  40  15.048  -9.293  -9.293
  273    H    ALA  41           H        ALA  41   9.856  -5.599  -5.599
  274    HA   ALA  41           HA       ALA  41   7.878  -7.115  -7.115
  275   1HB   ALA  41          2HB       ALA  41   9.067  -4.629  -4.629
  276   2HB   ALA  41          1HB       ALA  41   7.348  -4.391  -4.391
  277   3HB   ALA  41          3HB       ALA  41   7.876  -5.628  -5.628
  278    H    ASP  42           H        ASP  42   5.629  -6.020  -6.020
  279    HA   ASP  42           HA       ASP  42   5.483  -4.840  -4.840
  280   1HB   ASP  42          2HB       ASP  42   4.761  -7.449  -7.449
  281   2HB   ASP  42          1HB       ASP  42   3.229  -6.583  -6.583
  282    H    CYS  43           H        CYS  43   3.894  -3.252  -3.252
  283    HA   CYS  43           HA       CYS  43   2.558  -2.440  -2.440
  284   1HB   CYS  43          2HB       CYS  43   3.960  -0.729  -0.729
  285   2HB   CYS  43          1HB       CYS  43   3.047  -0.898  -0.898
  286    H    CYS  44           H        CYS  44   0.714  -3.769  -3.769
  287    HA   CYS  44           HA       CYS  44  -1.035  -3.583  -3.583
  288   1HB   CYS  44          2HB       CYS  44  -1.248  -5.412  -5.412
  289   2HB   CYS  44          1HB       CYS  44  -2.229  -5.499  -5.499
  290    H    ARG  45           H        ARG  45  -3.517  -3.901  -3.901
  291    HA   ARG  45           HA       ARG  45  -3.845  -1.820  -1.820
  292   1HB   ARG  45          2HB       ARG  45  -4.114  -0.807  -0.807
  293   2HB   ARG  45          1HB       ARG  45  -5.485  -1.890  -1.890
  294   1HG   ARG  45          2HG       ARG  45  -5.975  -0.747  -0.747
  295   2HG   ARG  45          1HG       ARG  45  -5.345   0.588   0.588
  296   1HD   ARG  45          2HD       ARG  45  -7.343  -1.182  -1.182
  297   2HD   ARG  45          1HD       ARG  45  -7.944  -0.122  -0.122
  298    HE   ARG  45           HE       ARG  45  -6.310   1.059   1.059
  299   1HH1  ARG  45          1HH2      ARG  45  -7.839   2.622   2.622
  300   2HH1  ARG  45          2HH2      ARG  45  -9.230   3.133   3.133
  301   1HH2  ARG  45          2HH1      ARG  45  -8.726   0.873   0.873
  302   2HH2  ARG  45          1HH1      ARG  45  -9.732   2.143   2.143
  303    H    LYS  46           H        LYS  46  -4.877  -2.926  -2.926
  304    HA   LYS  46           HA       LYS  46  -6.237  -5.330  -5.330
  305   1HB   LYS  46          2HB       LYS  46  -5.762  -3.696  -3.696
  306   2HB   LYS  46          1HB       LYS  46  -7.412  -3.158  -3.158
  307   1HG   LYS  46          2HG       LYS  46  -8.017  -5.678  -5.678
  308   2HG   LYS  46          1HG       LYS  46  -6.454  -5.903  -5.903
  309   1HD   LYS  46          2HD       LYS  46  -7.217  -5.087  -5.087
  310   2HD   LYS  46          1HD       LYS  46  -7.979  -3.704  -3.704
  311   1HE   LYS  46          2HE       LYS  46  -9.837  -5.250  -5.250
  312   2HE   LYS  46          1HE       LYS  46  -9.114  -6.499  -6.499
  313   1HZ   LYS  46          2HZ       LYS  46  -9.236  -4.774  -4.774
  314   2HZ   LYS  46          1HZ       LYS  46 -10.297  -3.921  -3.921
  315   3HZ   LYS  46          3HZ       LYS  46 -10.700  -5.483  -5.483
  316    H    LYS  47           H        LYS  47  -7.533  -5.603  -5.603
  317    HA   LYS  47           HA       LYS  47  -9.443  -5.394  -5.394
  318   1HB   LYS  47          2HB       LYS  47 -10.553  -4.404  -4.404
  319   2HB   LYS  47          1HB       LYS  47 -11.536  -4.833  -4.833
  320   1HG   LYS  47          2HG       LYS  47  -9.588  -6.907  -6.907
  321   2HG   LYS  47          1HG       LYS  47 -10.744  -6.583  -6.583
  322   1HD   LYS  47          2HD       LYS  47 -12.001  -8.088  -8.088
  323   2HD   LYS  47          1HD       LYS  47 -12.452  -6.620  -6.620
  324   1HE   LYS  47          2HE       LYS  47 -11.066  -7.104  -7.104
  325   2HE   LYS  47          1HE       LYS  47 -10.012  -8.147  -8.147
  326   1HZ   LYS  47          3HZ       LYS  47 -12.164  -9.556  -9.556
  327   2HZ   LYS  47          2HZ       LYS  47 -12.638  -8.733  -8.733
  328   3HZ   LYS  47          1HZ       LYS  47 -11.223  -9.674  -9.674
  329    H    LYS  48           H        LYS  48 -11.152  -3.696  -3.696
  330    HA   LYS  48           HA       LYS  48  -9.721  -1.118  -1.118
  331   1HB   LYS  48          2HB       LYS  48 -11.317  -0.661  -0.661
  332   2HB   LYS  48          1HB       LYS  48 -10.611  -2.261  -2.261
  333   1HG   LYS  48          2HG       LYS  48 -12.618  -3.211  -3.211
  334   2HG   LYS  48          1HG       LYS  48 -13.339  -1.603  -1.603
  335   1HD   LYS  48          2HD       LYS  48 -14.167  -2.840  -2.840
  336   2HD   LYS  48          1HD       LYS  48 -12.986  -1.686  -1.686
  337   1HE   LYS  48          2HE       LYS  48 -11.687  -3.347  -3.347
  338   2HE   LYS  48          1HE       LYS  48 -11.672  -4.142  -4.142
  339   1HZ   LYS  48          3HZ       LYS  48 -13.872  -5.067  -5.067
  340   2HZ   LYS  48          2HZ       LYS  48 -13.771  -4.383  -4.383
  341   3HZ   LYS  48          1HZ       LYS  48 -12.670  -5.587  -5.587
  342   1H    NH2  49          1HT       LYS  48 -11.799   0.700   0.700
  343   2H    NH2  49          2HT       LYS  48 -12.690   0.844   0.844

  Start of MODEL    5
    1   1H    ALA   1          3H        ALA   1   3.816  -3.756  -3.756
    2   2H    ALA   1          2H        ALA   1   4.679  -4.082  -4.082
    3   3H    ALA   1          1H        ALA   1   3.218  -3.217  -3.217
    4    HA   ALA   1           HA       ALA   1   5.044  -1.694  -1.694
    5   1HB   ALA   1          1HB       ALA   1   6.317  -3.443  -3.443
    6   2HB   ALA   1          3HB       ALA   1   6.077  -1.980  -1.980
    7   3HB   ALA   1          2HB       ALA   1   6.956  -1.901  -1.901
    8    H    ALA   2           H        ALA   2   3.157  -0.375  -0.375
    9    HA   ALA   2           HA       ALA   2   1.551   0.143   0.143
   10   1HB   ALA   2          1HB       ALA   2   1.828   1.252   1.252
   11   2HB   ALA   2          3HB       ALA   2   2.275   2.591   2.591
   12   3HB   ALA   2          2HB       ALA   2   0.701   1.813   1.813
   13    H    CYS   3           H        CYS   3   1.787   1.318   1.318
   14    HA   CYS   3           HA       CYS   3   4.233   2.969   2.969
   15   1HB   CYS   3          2HB       CYS   3   4.846   1.884   1.884
   16   2HB   CYS   3          1HB       CYS   3   4.674   0.624   0.624
   17    H    LYS   4           H        LYS   4   1.057   3.014   3.014
   18    HA   LYS   4           HA       LYS   4  -0.521   4.450   4.450
   19   1HB   LYS   4          2HB       LYS   4   1.950   5.761   5.761
   20   2HB   LYS   4          1HB       LYS   4   1.209   5.837   5.837
   21   1HG   LYS   4          2HG       LYS   4  -0.607   7.070   7.070
   22   2HG   LYS   4          1HG       LYS   4  -0.496   6.435   6.435
   23   1HD   LYS   4          2HD       LYS   4   0.505   8.399   8.399
   24   2HD   LYS   4          1HD       LYS   4   1.919   7.751   7.751
   25   1HE   LYS   4          2HE       LYS   4   1.085   8.725   8.725
   26   2HE   LYS   4          1HE       LYS   4  -0.276   9.426   9.426
   27   1HZ   LYS   4          1HZ       LYS   4   1.408  10.543  10.543
   28   2HZ   LYS   4          3HZ       LYS   4   2.605  10.030  10.030
   29   3HZ   LYS   4          2HZ       LYS   4   1.380  11.085  11.085
   30    H    CYS   5           H        CYS   5  -1.572   4.843   4.843
   31    HA   CYS   5           HA       CYS   5  -1.230   2.491   2.491
   32   1HB   CYS   5          2HB       CYS   5  -3.312   4.396   4.396
   33   2HB   CYS   5          1HB       CYS   5  -3.031   4.343   4.343
   34    H    ASP   6           H        ASP   6  -0.481   2.520   2.520
   35    HA   ASP   6           HA       ASP   6   1.590   4.193   4.193
   36   1HB   ASP   6          2HB       ASP   6   0.524   2.086   2.086
   37   2HB   ASP   6          1HB       ASP   6  -0.339   3.305   3.305
   38    H    ASP   7           H        ASP   7  -1.855   4.839   4.839
   39    HA   ASP   7           HA       ASP   7  -1.270   7.673   7.673
   40   1HB   ASP   7          2HB       ASP   7  -1.902   5.955   5.955
   41   2HB   ASP   7          1HB       ASP   7  -3.365   6.883   6.883
   42    H    GLU   8           H        GLU   8  -2.212   7.493   7.493
   43    HA   GLU   8           HA       GLU   8  -4.924   6.680   6.680
   44   1HB   GLU   8          2HB       GLU   8  -2.882   8.239   8.239
   45   2HB   GLU   8          1HB       GLU   8  -4.559   8.578   8.578
   46   1HG   GLU   8          2HG       GLU   8  -4.549   5.829   5.829
   47   2HG   GLU   8          1HG       GLU   8  -2.948   6.170   6.170
   48    H    GLY   9           H        GLY   9  -3.479   9.736   9.736
   49   1HA   GLY   9          2HA       GLY   9  -5.063  10.989  10.989
   50   2HA   GLY   9          1HA       GLY   9  -6.237  10.859  10.859
   51    HA   PRO  10           HA       PRO  10  -4.124  14.848  14.848
   52   1HB   PRO  10          2HB       PRO  10  -6.448  16.183  16.183
   53   2HB   PRO  10          1HB       PRO  10  -5.831  15.951  15.951
   54   1HG   PRO  10          2HG       PRO  10  -8.108  14.621  14.621
   55   2HG   PRO  10          1HG       PRO  10  -7.841  14.918  14.918
   56   1HD   PRO  10          2HD       PRO  10  -7.457  12.457  12.457
   57   2HD   PRO  10          1HD       PRO  10  -6.920  12.844  12.844
   58    H    ASP  11           H        ASP  11  -3.622  13.176  13.176
   59    HA   ASP  11           HA       ASP  11  -4.841  14.386  14.386
   60   1HB   ASP  11          2HB       ASP  11  -4.142  11.450  11.450
   61   2HB   ASP  11          1HB       ASP  11  -5.089  12.261  12.261
   62    H    ILE  12           H        ILE  12  -2.321  14.976  14.976
   63    HA   ILE  12           HA       ILE  12  -0.148  13.626  13.626
   64    HB   ILE  12           HB       ILE  12   0.140  14.910  14.910
   65   1HG1  ILE  12          2HG1      ILE  12   1.901  16.522  16.522
   66   2HG1  ILE  12          1HG1      ILE  12   1.829  14.864  14.864
   67   1HG2  ILE  12          3HG2      ILE  12  -0.413  17.273  17.273
   68   2HG2  ILE  12          2HG2      ILE  12   0.231  17.407  17.407
   69   3HG2  ILE  12          1HG2      ILE  12  -1.386  16.754  16.754
   70   1HD1  ILE  12          3HD1      ILE  12   1.982  14.510  14.510
   71   2HD1  ILE  12          2HD1      ILE  12   3.028  15.903  15.903
   72   3HD1  ILE  12          1HD1      ILE  12   3.340  14.389  14.389
   73    H    ARG  13           H        ARG  13  -2.458  15.852  15.852
   74    HA   ARG  13           HA       ARG  13  -0.706  17.092  17.092
   75   1HB   ARG  13          2HB       ARG  13  -3.022  17.913  17.913
   76   2HB   ARG  13          1HB       ARG  13  -3.625  17.353  17.353
   77   1HG   ARG  13          2HG       ARG  13  -2.028  18.785  18.785
   78   2HG   ARG  13          1HG       ARG  13  -1.323  19.294  19.294
   79   1HD   ARG  13          2HD       ARG  13  -4.249  19.643  19.643
   80   2HD   ARG  13          1HD       ARG  13  -3.324  20.643  20.643
   81    HE   ARG  13           HE       ARG  13  -2.422  20.656  20.656
   82   1HH1  ARG  13          1HH2      ARG  13  -1.369  22.925  22.925
   83   2HH1  ARG  13          2HH2      ARG  13  -2.595  24.147  24.147
   84   1HH2  ARG  13          2HH1      ARG  13  -5.224  21.886  21.886
   85   2HH2  ARG  13          1HH1      ARG  13  -4.777  23.558  23.558
   86    H    THR  14           H        THR  14  -3.433  14.787  14.787
   87    HA   THR  14           HA       THR  14  -2.369  13.556  13.556
   88    HB   THR  14           HB       THR  14  -3.902  15.243  15.243
   89    HG1  THR  14           HG1      THR  14  -5.448  12.923  12.923
   90   1HG2  THR  14          3HG2      THR  14  -5.409  14.516  14.516
   91   2HG2  THR  14          2HG2      THR  14  -6.421  14.357  14.357
   92   3HG2  THR  14          1HG2      THR  14  -5.635  15.894  15.894
   93    H    ALA  15           H        ALA  15  -1.986  11.875  11.875
   94    HA   ALA  15           HA       ALA  15  -4.322  10.613  10.613
   95   1HB   ALA  15          2HB       ALA  15  -1.781  10.722  10.722
   96   2HB   ALA  15          1HB       ALA  15  -1.669   9.239   9.239
   97   3HB   ALA  15          3HB       ALA  15  -2.804   9.343   9.343
   98    HA   PRO  16           HA       PRO  16  -5.093   7.800   7.800
   99   1HB   PRO  16          2HB       PRO  16  -6.650   6.049   6.049
  100   2HB   PRO  16          1HB       PRO  16  -7.202   7.655   7.655
  101   1HG   PRO  16          2HG       PRO  16  -6.439   6.682   6.682
  102   2HG   PRO  16          1HG       PRO  16  -7.524   8.003   8.003
  103   1HD   PRO  16          2HD       PRO  16  -4.840   8.253   8.253
  104   2HD   PRO  16          1HD       PRO  16  -5.855   9.547   9.547
  105    H    LEU  17           H        LEU  17  -2.775   7.280   7.280
  106    HA   LEU  17           HA       LEU  17  -1.352   5.503   5.503
  107   1HB   LEU  17          2HB       LEU  17  -2.006   5.316   5.316
  108   2HB   LEU  17          1HB       LEU  17  -1.182   3.931   3.931
  109    HG   LEU  17           HG       LEU  17   0.528   5.516   5.516
  110   1HD1  LEU  17          2HD1      LEU  17  -1.124   7.493   7.493
  111   2HD1  LEU  17          1HD1      LEU  17  -0.621   7.542   7.542
  112   3HD1  LEU  17          3HD1      LEU  17   0.564   7.794   7.794
  113   1HD2  LEU  17          3HD2      LEU  17   0.042   5.037   5.037
  114   2HD2  LEU  17          2HD2      LEU  17   1.395   4.529   4.529
  115   3HD2  LEU  17          1HD2      LEU  17   1.310   6.189   6.189
  116    H    THR  18           H        THR  18  -3.345   4.824   4.824
  117    HA   THR  18           HA       THR  18  -4.712   2.397   2.397
  118    HB   THR  18           HB       THR  18  -5.877   4.040   4.040
  119    HG1  THR  18           HG1      THR  18  -6.914   2.446   2.446
  120   1HG2  THR  18          1HG2      THR  18  -3.787   4.630   4.630
  121   2HG2  THR  18          3HG2      THR  18  -3.986   3.111   3.111
  122   3HG2  THR  18          2HG2      THR  18  -5.221   4.364   4.364
  123    H    GLY  19           H        GLY  19  -1.647   2.797   2.797
  124   1HA   GLY  19          2HA       GLY  19  -1.459   0.509   0.509
  125   2HA   GLY  19          1HA       GLY  19  -0.138   1.604   1.604
  126    H    THR  20           H        THR  20  -0.685  -1.470  -1.470
  127    HA   THR  20           HA       THR  20   0.503  -1.654  -1.654
  128    HB   THR  20           HB       THR  20  -1.738  -3.371  -3.371
  129    HG1  THR  20           HG1      THR  20  -2.463  -1.473  -1.473
  130   1HG2  THR  20          3HG2      THR  20  -0.079  -3.647  -3.647
  131   2HG2  THR  20          2HG2      THR  20  -1.566  -4.542  -4.542
  132   3HG2  THR  20          1HG2      THR  20  -0.155  -4.789  -4.789
  133    H    VAL  21           H        VAL  21   2.420  -2.705  -2.705
  134    HA   VAL  21           HA       VAL  21   2.982  -4.306  -4.306
  135    HB   VAL  21           HB       VAL  21   4.732  -3.286  -3.286
  136   1HG1  VAL  21          3HG1      VAL  21   5.376  -5.093  -5.093
  137   2HG1  VAL  21          2HG1      VAL  21   6.608  -4.180  -4.180
  138   3HG1  VAL  21          1HG1      VAL  21   5.661  -5.407  -5.407
  139   1HG2  VAL  21          2HG2      VAL  21   3.801  -1.878  -1.878
  140   2HG2  VAL  21          1HG2      VAL  21   5.468  -1.688  -1.688
  141   3HG2  VAL  21          3HG2      VAL  21   5.106  -2.698  -2.698
  142    H    ASP  22           H        ASP  22   2.854  -6.495  -6.495
  143    HA   ASP  22           HA       ASP  22   2.714  -7.820  -7.820
  144   1HB   ASP  22          2HB       ASP  22   1.742  -8.727  -8.727
  145   2HB   ASP  22          1HB       ASP  22   1.647  -9.702  -9.702
  146    H    LEU  23           H        LEU  23   4.702  -8.590  -8.590
  147    HA   LEU  23           HA       LEU  23   6.892  -9.068  -9.068
  148   1HB   LEU  23          2HB       LEU  23   6.063  -9.989  -9.989
  149   2HB   LEU  23          1HB       LEU  23   7.288 -10.976 -10.976
  150    HG   LEU  23           HG       LEU  23   8.369  -9.212  -9.212
  151   1HD1  LEU  23          1HD1      LEU  23   9.125  -9.925  -9.925
  152   2HD1  LEU  23          3HD1      LEU  23   8.597  -8.306  -8.306
  153   3HD1  LEU  23          2HD1      LEU  23   9.870  -8.514  -8.514
  154   1HD2  LEU  23          1HD2      LEU  23   6.403  -7.517  -7.517
  155   2HD2  LEU  23          3HD2      LEU  23   6.892  -7.430  -7.430
  156   3HD2  LEU  23          2HD2      LEU  23   7.961  -6.812  -6.812
  157    H    GLY  24           H        GLY  24   6.998 -10.397 -10.397
  158   1HA   GLY  24          2HA       GLY  24   7.141 -12.824 -12.824
  159   2HA   GLY  24          1HA       GLY  24   5.590 -13.033 -13.033
  160    H    SER  25           H        SER  25   3.828 -11.453 -11.453
  161    HA   SER  25           HA       SER  25   3.923 -10.336 -10.336
  162   1HB   SER  25          2HB       SER  25   2.565 -12.415 -12.415
  163   2HB   SER  25          1HB       SER  25   4.311 -12.248 -12.248
  164    HG   SER  25           HG       SER  25   3.201 -13.496 -13.496
  165    H    CYS  26           H        CYS  26   1.704  -9.940  -9.940
  166    HA   CYS  26           HA       CYS  26  -0.134  -9.150  -9.150
  167   1HB   CYS  26          2HB       CYS  26  -0.484  -9.845  -9.845
  168   2HB   CYS  26          1HB       CYS  26  -1.844  -9.309  -9.309
  169    H    ASN  27           H        ASN  27  -2.331 -10.081 -10.081
  170    HA   ASN  27           HA       ASN  27  -2.203 -13.070 -13.070
  171   1HB   ASN  27          2HB       ASN  27  -3.071 -11.045 -11.045
  172   2HB   ASN  27          1HB       ASN  27  -3.991 -12.549 -12.549
  173   1HD2  ASN  27          2HD2      ASN  27  -1.543 -14.079 -14.079
  174   2HD2  ASN  27          1HD2      ASN  27  -3.188 -13.753 -13.753
  175    H    ALA  28           H        ALA  28  -4.689 -13.841 -13.841
  176    HA   ALA  28           HA       ALA  28  -6.125 -12.938 -12.938
  177   1HB   ALA  28          1HB       ALA  28  -6.514 -15.183 -15.183
  178   2HB   ALA  28          3HB       ALA  28  -7.761 -14.780 -14.780
  179   3HB   ALA  28          2HB       ALA  28  -6.162 -15.289 -15.289
  180    H    GLY  29           H        GLY  29  -7.265 -11.062 -11.062
  181   1HA   GLY  29          2HA       GLY  29  -9.624 -10.605 -10.605
  182   2HA   GLY  29          1HA       GLY  29  -8.689 -10.650 -10.650
  183    H    TRP  30           H        TRP  30  -6.344  -9.438  -9.438
  184    HA   TRP  30           HA       TRP  30  -7.287  -6.627  -6.627
  185   1HB   TRP  30          2HB       TRP  30  -4.501  -7.824  -7.824
  186   2HB   TRP  30          1HB       TRP  30  -4.838  -6.097  -6.097
  187    HD1  TRP  30           HD1      TRP  30  -6.353  -9.158  -9.158
  188    HE1  TRP  30           HE1      TRP  30  -6.338  -8.659  -8.659
  189    HE3  TRP  30           HE3      TRP  30  -4.136  -4.558  -4.558
  190    HZ2  TRP  30           HZ2      TRP  30  -5.497  -6.583  -6.583
  191    HZ3  TRP  30           HZ3      TRP  30  -3.740  -3.343  -3.343
  192    HH2  TRP  30           HH2      TRP  30  -4.416  -4.349  -4.349
  193    H    GLU  31           H        GLU  31  -6.326  -5.063  -5.063
  194    HA   GLU  31           HA       GLU  31  -6.130  -6.361  -6.361
  195   1HB   GLU  31          2HB       GLU  31  -7.006  -4.061  -4.061
  196   2HB   GLU  31          1HB       GLU  31  -8.162  -5.141  -5.141
  197   1HG   GLU  31          2HG       GLU  31  -7.929  -3.968  -3.968
  198   2HG   GLU  31          1HG       GLU  31  -6.622  -2.977  -2.977
  199    H    LYS  32           H        LYS  32  -4.077  -6.190  -6.190
  200    HA   LYS  32           HA       LYS  32  -1.966  -4.733  -4.733
  201   1HB   LYS  32          2HB       LYS  32  -2.128  -6.380  -6.380
  202   2HB   LYS  32          1HB       LYS  32  -2.175  -4.868  -4.868
  203   1HG   LYS  32          2HG       LYS  32  -0.040  -4.229  -4.229
  204   2HG   LYS  32          1HG       LYS  32  -0.097  -5.237  -5.237
  205   1HD   LYS  32          2HD       LYS  32   0.981  -6.864  -6.864
  206   2HD   LYS  32          1HD       LYS  32  -0.380  -6.972  -6.972
  207   1HE   LYS  32          2HE       LYS  32   0.602  -5.110  -5.110
  208   2HE   LYS  32          1HE       LYS  32   1.996  -5.103  -5.103
  209   1HZ   LYS  32          2HZ       LYS  32   2.253  -7.516  -7.516
  210   2HZ   LYS  32          1HZ       LYS  32   1.110  -7.274  -7.274
  211   3HZ   LYS  32          3HZ       LYS  32   2.578  -6.428  -6.428
  212    H    CYS  33           H        CYS  33  -1.616  -2.586  -2.586
  213    HA   CYS  33           HA       CYS  33  -3.243  -0.695  -0.695
  214   1HB   CYS  33          2HB       CYS  33  -3.197  -0.683  -0.683
  215   2HB   CYS  33          1HB       CYS  33  -1.612   0.065   0.065
  216    H    ALA  34           H        ALA  34  -0.094  -1.938  -1.938
  217    HA   ALA  34           HA       ALA  34   0.918   0.202   0.202
  218   1HB   ALA  34          2HB       ALA  34   2.333  -0.821  -0.821
  219   2HB   ALA  34          1HB       ALA  34   3.076   0.212   0.212
  220   3HB   ALA  34          3HB       ALA  34   1.726   0.815   0.815
  221    H    SER  35           H        SER  35   1.787  -0.753  -0.753
  222    HA   SER  35           HA       SER  35   1.923  -3.469  -3.469
  223   1HB   SER  35          2HB       SER  35   2.377  -1.592  -1.592
  224   2HB   SER  35          1HB       SER  35   4.004  -1.492  -1.492
  225    HG   SER  35           HG       SER  35   3.865  -3.941  -3.941
  226    H    TYR  36           H        TYR  36   4.116  -1.564  -1.564
  227    HA   TYR  36           HA       TYR  36   5.421  -4.037  -4.037
  228   1HB   TYR  36          2HB       TYR  36   6.655  -2.912  -2.912
  229   2HB   TYR  36          1HB       TYR  36   7.289  -1.848  -1.848
  230    HD1  TYR  36           HD1      TYR  36   6.474  -5.513  -5.513
  231    HD2  TYR  36           HD2      TYR  36   9.439  -2.496  -2.496
  232    HE1  TYR  36           HE1      TYR  36   8.093  -7.268  -7.268
  233    HE2  TYR  36           HE2      TYR  36  11.057  -4.251  -4.251
  234    HH   TYR  36           HH       TYR  36  10.380  -7.110  -7.110
  235    H    TYR  37           H        TYR  37   7.643  -2.316  -2.316
  236    HA   TYR  37           HA       TYR  37   6.562  -0.223  -0.223
  237   1HB   TYR  37          2HB       TYR  37   5.207  -1.895  -1.895
  238   2HB   TYR  37          1HB       TYR  37   6.587  -2.978  -2.978
  239    HD1  TYR  37           HD2      TYR  37   6.380   0.707   0.707
  240    HD2  TYR  37           HD1      TYR  37   6.922  -3.187  -3.187
  241    HE1  TYR  37           HE2      TYR  37   6.938   1.751   1.751
  242    HE2  TYR  37           HE1      TYR  37   7.478  -2.144  -2.144
  243    HH   TYR  37           HH       TYR  37   7.136  -0.064  -0.064
  244    H    THR  38           H        THR  38   8.456  -2.733  -2.733
  245    HA   THR  38           HA       THR  38  10.834  -0.940  -0.940
  246    HB   THR  38           HB       THR  38  10.068  -1.430  -1.430
  247    HG1  THR  38           HG1      THR  38  12.124  -1.328  -1.328
  248   1HG2  THR  38          1HG2      THR  38   9.556  -3.971  -3.971
  249   2HG2  THR  38          3HG2      THR  38  10.886  -4.212  -4.212
  250   3HG2  THR  38          2HG2      THR  38   9.380  -3.479  -3.479
  251    H    ILE  39           H        ILE  39  12.954  -2.431  -2.431
  252    HA   ILE  39           HA       ILE  39  12.984  -4.084  -4.084
  253    HB   ILE  39           HB       ILE  39  15.062  -3.439  -3.439
  254   1HG1  ILE  39          2HG1      ILE  39  15.366  -2.802  -2.802
  255   2HG1  ILE  39          1HG1      ILE  39  14.128  -1.899  -1.899
  256   1HG2  ILE  39          1HG2      ILE  39  15.063  -5.447  -5.447
  257   2HG2  ILE  39          3HG2      ILE  39  16.525  -4.484  -4.484
  258   3HG2  ILE  39          2HG2      ILE  39  15.918  -5.472  -5.472
  259   1HD1  ILE  39          2HD1      ILE  39  16.021  -1.598  -1.598
  260   2HD1  ILE  39          1HD1      ILE  39  17.096  -1.956  -1.956
  261   3HD1  ILE  39          3HD1      ILE  39  16.009  -0.569  -0.569
  262    H    ILE  40           H        ILE  40  12.180  -4.680  -4.680
  263    HA   ILE  40           HA       ILE  40  12.383  -7.602  -7.602
  264    HB   ILE  40           HB       ILE  40  14.255  -6.507  -6.507
  265   1HG1  ILE  40          2HG1      ILE  40  14.245  -8.853  -8.853
  266   2HG1  ILE  40          1HG1      ILE  40  14.200  -8.668  -8.668
  267   1HG2  ILE  40          2HG2      ILE  40  12.191  -5.624  -5.624
  268   2HG2  ILE  40          1HG2      ILE  40  12.369  -7.211  -7.211
  269   3HG2  ILE  40          3HG2      ILE  40  13.723  -6.082  -6.082
  270   1HD1  ILE  40          1HD1      ILE  40  11.730  -9.045  -9.045
  271   2HD1  ILE  40          3HD1      ILE  40  12.565 -10.364 -10.364
  272   3HD1  ILE  40          2HD1      ILE  40  11.818  -9.073  -9.073
  273    H    ALA  41           H        ALA  41  10.105  -5.855  -5.855
  274    HA   ALA  41           HA       ALA  41   8.191  -7.344  -7.344
  275   1HB   ALA  41          1HB       ALA  41   9.487  -5.388  -5.388
  276   2HB   ALA  41          3HB       ALA  41   7.899  -4.721  -4.721
  277   3HB   ALA  41          2HB       ALA  41   8.029  -6.288  -6.288
  278    H    ASP  42           H        ASP  42   5.975  -6.421  -6.421
  279    HA   ASP  42           HA       ASP  42   5.865  -4.569  -4.569
  280   1HB   ASP  42          2HB       ASP  42   3.809  -6.644  -6.644
  281   2HB   ASP  42          1HB       ASP  42   3.830  -5.699  -5.699
  282    H    CYS  43           H        CYS  43   2.908  -4.418  -4.418
  283    HA   CYS  43           HA       CYS  43   2.412  -3.272  -3.272
  284   1HB   CYS  43          2HB       CYS  43   3.282  -1.540  -1.540
  285   2HB   CYS  43          1HB       CYS  43   1.876  -0.979  -0.979
  286    H    CYS  44           H        CYS  44   0.384  -4.097  -4.097
  287    HA   CYS  44           HA       CYS  44  -1.458  -3.920  -3.920
  288   1HB   CYS  44          2HB       CYS  44  -0.976  -5.931  -5.931
  289   2HB   CYS  44          1HB       CYS  44  -2.678  -5.476  -5.476
  290    H    ARG  45           H        ARG  45  -3.843  -3.633  -3.633
  291    HA   ARG  45           HA       ARG  45  -4.019  -1.786  -1.786
  292   1HB   ARG  45          2HB       ARG  45  -3.769  -0.358  -0.358
  293   2HB   ARG  45          1HB       ARG  45  -5.088  -1.212  -1.212
  294   1HG   ARG  45          2HG       ARG  45  -5.850  -0.265  -0.265
  295   2HG   ARG  45          1HG       ARG  45  -5.346   1.055   1.055
  296   1HD   ARG  45          2HD       ARG  45  -7.248  -1.063  -1.063
  297   2HD   ARG  45          1HD       ARG  45  -7.837   0.323   0.323
  298    HE   ARG  45           HE       ARG  45  -6.178   0.794   0.794
  299   1HH1  ARG  45          2HH1      ARG  45  -9.344   0.417   0.417
  300   2HH1  ARG  45          1HH1      ARG  45  -9.981   1.806   1.806
  301   1HH2  ARG  45          1HH2      ARG  45  -6.895   2.859   2.859
  302   2HH2  ARG  45          2HH2      ARG  45  -8.594   3.188   3.188
  303    H    LYS  46           H        LYS  46  -5.433  -2.886  -2.886
  304    HA   LYS  46           HA       LYS  46  -7.243  -4.870  -4.870
  305   1HB   LYS  46          2HB       LYS  46  -6.767  -4.022  -4.022
  306   2HB   LYS  46          1HB       LYS  46  -7.823  -2.649  -2.649
  307   1HG   LYS  46          2HG       LYS  46  -9.739  -4.049  -4.049
  308   2HG   LYS  46          1HG       LYS  46  -8.751  -5.509  -5.509
  309   1HD   LYS  46          2HD       LYS  46  -7.947  -4.555  -4.555
  310   2HD   LYS  46          1HD       LYS  46  -9.590  -3.913  -3.913
  311   1HE   LYS  46          2HE       LYS  46  -9.098  -6.784  -6.784
  312   2HE   LYS  46          1HE       LYS  46  -9.178  -6.318  -6.318
  313   1HZ   LYS  46          2HZ       LYS  46 -11.265  -5.534  -5.534
  314   2HZ   LYS  46          1HZ       LYS  46 -11.333  -7.004  -7.004
  315   3HZ   LYS  46          3HZ       LYS  46 -11.353  -5.536  -5.536
  316    H    LYS  47           H        LYS  47  -9.440  -4.937  -4.937
  317    HA   LYS  47           HA       LYS  47 -10.232  -2.789  -2.789
  318   1HB   LYS  47          2HB       LYS  47 -11.425  -5.427  -5.427
  319   2HB   LYS  47          1HB       LYS  47 -12.384  -4.271  -4.271
  320   1HG   LYS  47          2HG       LYS  47 -11.165  -4.585  -4.585
  321   2HG   LYS  47          1HG       LYS  47  -9.644  -4.732  -4.732
  322   1HD   LYS  47          2HD       LYS  47 -10.027  -6.900  -6.900
  323   2HD   LYS  47          1HD       LYS  47 -10.538  -7.013  -7.013
  324   1HE   LYS  47          2HE       LYS  47 -12.773  -6.092  -6.092
  325   2HE   LYS  47          1HE       LYS  47 -12.095  -7.477  -7.477
  326   1HZ   LYS  47          3HZ       LYS  47 -12.500  -7.568  -7.568
  327   2HZ   LYS  47          2HZ       LYS  47 -13.790  -7.890  -7.890
  328   3HZ   LYS  47          1HZ       LYS  47 -12.390  -8.853  -8.853
  329    H    LYS  48           H        LYS  48 -10.351  -1.062  -1.062
  330    HA   LYS  48           HA       LYS  48 -12.946  -1.168  -1.168
  331   1HB   LYS  48          2HB       LYS  48 -10.464  -1.036  -1.036
  332   2HB   LYS  48          1HB       LYS  48 -10.906   0.669   0.669
  333   1HG   LYS  48          2HG       LYS  48 -12.961   0.297   0.297
  334   2HG   LYS  48          1HG       LYS  48 -12.750  -1.452  -1.452
  335   1HD   LYS  48          2HD       LYS  48 -11.936  -1.073  -1.073
  336   2HD   LYS  48          1HD       LYS  48 -10.446  -0.848  -0.848
  337   1HE   LYS  48          2HE       LYS  48 -10.816   1.001   1.001
  338   2HE   LYS  48          1HE       LYS  48 -10.819   1.576   1.576
  339   1HZ   LYS  48          2HZ       LYS  48 -13.391   0.741   0.741
  340   2HZ   LYS  48          1HZ       LYS  48 -12.735   2.135   2.135
  341   3HZ   LYS  48          3HZ       LYS  48 -12.991   2.085   2.085
  342   1H    NH2  49          1HT       LYS  48 -11.416   0.247   0.247
  343   2H    NH2  49          2HT       LYS  48 -12.175   1.766   1.766

  Start of MODEL    6
    1   1H    ALA   1          2H        ALA   1   2.427  -3.045  -3.045
    2   2H    ALA   1          1H        ALA   1   3.788  -3.951  -3.951
    3   3H    ALA   1          3H        ALA   1   2.943  -3.043  -3.043
    4    HA   ALA   1           HA       ALA   1   4.472  -1.473  -1.473
    5   1HB   ALA   1          1HB       ALA   1   5.214  -3.385  -3.385
    6   2HB   ALA   1          3HB       ALA   1   5.412  -1.739  -1.739
    7   3HB   ALA   1          2HB       ALA   1   6.237  -2.242  -2.242
    8    H    ALA   2           H        ALA   2   2.499  -0.139  -0.139
    9    HA   ALA   2           HA       ALA   2   0.919   0.532   0.532
   10   1HB   ALA   2          2HB       ALA   2   2.062   2.266   2.266
   11   2HB   ALA   2          1HB       ALA   2   0.958   2.920   2.920
   12   3HB   ALA   2          3HB       ALA   2   0.427   1.619   1.619
   13    H    CYS   3           H        CYS   3   1.383   1.243   1.243
   14    HA   CYS   3           HA       CYS   3   3.769   2.992   2.992
   15   1HB   CYS   3          2HB       CYS   3   4.509   1.729   1.729
   16   2HB   CYS   3          1HB       CYS   3   4.273   0.577   0.577
   17    H    LYS   4           H        LYS   4   0.536   2.781   2.781
   18    HA   LYS   4           HA       LYS   4  -1.049   3.991   3.991
   19   1HB   LYS   4          2HB       LYS   4   1.244   5.603   5.603
   20   2HB   LYS   4          1HB       LYS   4   0.782   5.609   5.609
   21   1HG   LYS   4          2HG       LYS   4  -1.605   5.836   5.836
   22   2HG   LYS   4          1HG       LYS   4  -0.447   7.015   7.015
   23   1HD   LYS   4          2HD       LYS   4  -1.237   6.682   6.682
   24   2HD   LYS   4          1HD       LYS   4  -1.782   7.975   7.975
   25   1HE   LYS   4          2HE       LYS   4   0.047   9.150   9.150
   26   2HE   LYS   4          1HE       LYS   4   1.029   7.929   7.929
   27   1HZ   LYS   4          3HZ       LYS   4   0.643   6.650   6.650
   28   2HZ   LYS   4          2HZ       LYS   4   0.376   8.207   8.207
   29   3HZ   LYS   4          1HZ       LYS   4   1.859   7.826   7.826
   30    H    CYS   5           H        CYS   5  -1.243   4.804   4.804
   31    HA   CYS   5           HA       CYS   5  -0.069   2.660   2.660
   32   1HB   CYS   5          2HB       CYS   5  -3.013   3.321   3.321
   33   2HB   CYS   5          1HB       CYS   5  -2.351   2.391   2.391
   34    H    ASP   6           H        ASP   6  -0.311   3.186   3.186
   35    HA   ASP   6           HA       ASP   6   0.490   5.846   5.846
   36   1HB   ASP   6          2HB       ASP   6   0.810   3.775   3.775
   37   2HB   ASP   6          1HB       ASP   6  -0.867   3.983   3.983
   38    H    ASP   7           H        ASP   7  -2.637   4.539   4.539
   39    HA   ASP   7           HA       ASP   7  -4.320   6.152   6.152
   40   1HB   ASP   7          2HB       ASP   7  -6.015   5.816   5.816
   41   2HB   ASP   7          1HB       ASP   7  -5.053   4.340   4.340
   42    H    GLU   8           H        GLU   8  -2.497   6.977   6.977
   43    HA   GLU   8           HA       GLU   8  -3.601   9.743   9.743
   44   1HB   GLU   8          2HB       GLU   8  -1.795   8.619   8.619
   45   2HB   GLU   8          1HB       GLU   8  -2.858  10.023  10.023
   46   1HG   GLU   8          2HG       GLU   8  -4.676   8.127   8.127
   47   2HG   GLU   8          1HG       GLU   8  -3.511   7.135   7.135
   48    H    GLY   9           H        GLY   9  -0.807   7.865   7.865
   49   1HA   GLY   9          2HA       GLY   9   1.391   8.479   8.479
   50   2HA   GLY   9          1HA       GLY   9   0.558   9.765   9.765
   51    HA   PRO  10           HA       PRO  10   3.115  11.987  11.987
   52   1HB   PRO  10          2HB       PRO  10   3.823  13.954  13.954
   53   2HB   PRO  10          1HB       PRO  10   4.672  12.407  12.407
   54   1HG   PRO  10          2HG       PRO  10   2.807  13.363  13.363
   55   2HG   PRO  10          1HG       PRO  10   4.126  12.188  12.188
   56   1HD   PRO  10          2HD       PRO  10   1.361  11.589  11.589
   57   2HD   PRO  10          1HD       PRO  10   2.700  10.433  10.433
   58    H    ASP  11           H        ASP  11   0.612  12.269  12.269
   59    HA   ASP  11           HA       ASP  11  -1.035  14.326  14.326
   60   1HB   ASP  11          2HB       ASP  11  -1.593  14.592  14.592
   61   2HB   ASP  11          1HB       ASP  11  -1.868  13.019  13.019
   62    H    ILE  12           H        ILE  12  -1.367  16.524  16.524
   63    HA   ILE  12           HA       ILE  12   1.126  18.024  18.024
   64    HB   ILE  12           HB       ILE  12  -1.199  18.812  18.812
   65   1HG1  ILE  12          2HG1      ILE  12   0.824  20.276  20.276
   66   2HG1  ILE  12          1HG1      ILE  12  -0.686  21.133  21.133
   67   1HG2  ILE  12          2HG2      ILE  12  -2.359  18.161  18.161
   68   2HG2  ILE  12          1HG2      ILE  12  -1.438  19.389  19.389
   69   3HG2  ILE  12          3HG2      ILE  12  -2.587  19.867  19.867
   70   1HD1  ILE  12          1HD1      ILE  12  -0.094  20.244  20.244
   71   2HD1  ILE  12          3HD1      ILE  12   1.526  20.481  20.481
   72   3HD1  ILE  12          2HD1      ILE  12   0.385  21.825  21.825
   73    H    ARG  13           H        ARG  13  -1.194  17.268  17.268
   74    HA   ARG  13           HA       ARG  13   0.620  18.491  18.491
   75   1HB   ARG  13          2HB       ARG  13  -2.155  17.331  17.331
   76   2HB   ARG  13          1HB       ARG  13  -1.249  17.559  17.559
   77   1HG   ARG  13          2HG       ARG  13  -1.339  19.847  19.847
   78   2HG   ARG  13          1HG       ARG  13  -1.271  19.851  19.851
   79   1HD   ARG  13          2HD       ARG  13  -3.611  19.100  19.100
   80   2HD   ARG  13          1HD       ARG  13  -3.686  19.055  19.055
   81    HE   ARG  13           HE       ARG  13  -2.985  21.646  21.646
   82   1HH1  ARG  13          2HH1      ARG  13  -5.835  20.029  20.029
   83   2HH1  ARG  13          1HH1      ARG  13  -6.649  21.105  21.105
   84   1HH2  ARG  13          1HH2      ARG  13  -3.775  22.857  22.857
   85   2HH2  ARG  13          2HH2      ARG  13  -5.482  22.705  22.705
   86    H    THR  14           H        THR  14  -1.185  15.506  15.506
   87    HA   THR  14           HA       THR  14   1.306  13.916  13.916
   88    HB   THR  14           HB       THR  14   1.141  13.264  13.264
   89    HG1  THR  14           HG1      THR  14  -1.075  13.125  13.125
   90   1HG2  THR  14          3HG2      THR  14   2.091  15.562  15.562
   91   2HG2  THR  14          2HG2      THR  14   0.535  16.228  16.228
   92   3HG2  THR  14          1HG2      THR  14   1.521  15.337  15.337
   93    H    ALA  15           H        ALA  15   0.374  11.635  11.635
   94    HA   ALA  15           HA       ALA  15  -2.199  11.006  11.006
   95   1HB   ALA  15          2HB       ALA  15   0.265  10.220  10.220
   96   2HB   ALA  15          1HB       ALA  15  -0.258   8.812   8.812
   97   3HB   ALA  15          3HB       ALA  15  -1.280   9.450   9.450
   98    HA   PRO  16           HA       PRO  16  -2.974   8.952   8.952
   99   1HB   PRO  16          2HB       PRO  16  -5.200   7.582   7.582
  100   2HB   PRO  16          1HB       PRO  16  -5.190   9.326   9.326
  101   1HG   PRO  16          2HG       PRO  16  -5.294   7.871   7.871
  102   2HG   PRO  16          1HG       PRO  16  -5.871   9.494   9.494
  103   1HD   PRO  16          2HD       PRO  16  -3.469   8.842   8.842
  104   2HD   PRO  16          1HD       PRO  16  -3.939  10.444  10.444
  105    H    LEU  17           H        LEU  17  -1.388   7.538   7.538
  106    HA   LEU  17           HA       LEU  17  -0.630   5.375   5.375
  107   1HB   LEU  17          2HB       LEU  17  -0.538   5.852   5.852
  108   2HB   LEU  17          1HB       LEU  17  -0.520   4.142   4.142
  109    HG   LEU  17           HG       LEU  17   1.364   4.535   4.535
  110   1HD1  LEU  17          2HD1      LEU  17   1.195   7.391   7.391
  111   2HD1  LEU  17          1HD1      LEU  17   2.459   6.750   6.750
  112   3HD1  LEU  17          3HD1      LEU  17   0.799   6.853   6.853
  113   1HD2  LEU  17          1HD2      LEU  17   1.421   4.958   4.958
  114   2HD2  LEU  17          3HD2      LEU  17   2.541   4.048   4.048
  115   3HD2  LEU  17          2HD2      LEU  17   2.762   5.784   5.784
  116    H    THR  18           H        THR  18  -3.024   5.165   5.165
  117    HA   THR  18           HA       THR  18  -4.660   3.283   3.283
  118    HB   THR  18           HB       THR  18  -6.106   3.405   3.405
  119    HG1  THR  18           HG1      THR  18  -5.472   4.737   4.737
  120   1HG2  THR  18          3HG2      THR  18  -5.710   5.235   5.235
  121   2HG2  THR  18          2HG2      THR  18  -6.229   6.122   6.122
  122   3HG2  THR  18          1HG2      THR  18  -7.211   4.793   4.793
  123    H    GLY  19           H        GLY  19  -1.919   2.689   2.689
  124   1HA   GLY  19          2HA       GLY  19  -2.829   0.326   0.326
  125   2HA   GLY  19          1HA       GLY  19  -1.257   1.103   1.103
  126    H    THR  20           H        THR  20  -1.139  -1.553  -1.553
  127    HA   THR  20           HA       THR  20  -0.083  -1.733  -1.733
  128    HB   THR  20           HB       THR  20  -1.801  -3.873  -3.873
  129    HG1  THR  20           HG1      THR  20  -2.860  -1.891  -1.891
  130   1HG2  THR  20          1HG2      THR  20  -0.449  -3.612  -3.612
  131   2HG2  THR  20          3HG2      THR  20  -1.725  -4.786  -4.786
  132   3HG2  THR  20          2HG2      THR  20  -0.203  -4.870  -4.870
  133    H    VAL  21           H        VAL  21   1.680  -3.221  -3.221
  134    HA   VAL  21           HA       VAL  21   2.605  -4.463  -4.463
  135    HB   VAL  21           HB       VAL  21   4.166  -2.615  -2.615
  136   1HG1  VAL  21          3HG1      VAL  21   5.091  -4.979  -4.979
  137   2HG1  VAL  21          2HG1      VAL  21   5.781  -3.558  -3.558
  138   3HG1  VAL  21          1HG1      VAL  21   6.025  -3.820  -3.820
  139   1HG2  VAL  21          1HG2      VAL  21   2.736  -1.942  -1.942
  140   2HG2  VAL  21          3HG2      VAL  21   4.333  -1.238  -1.238
  141   3HG2  VAL  21          2HG2      VAL  21   4.128  -2.576  -2.576
  142    H    ASP  22           H        ASP  22   3.080  -6.573  -6.573
  143    HA   ASP  22           HA       ASP  22   3.591  -7.431  -7.431
  144   1HB   ASP  22          2HB       ASP  22   2.466  -8.803  -8.803
  145   2HB   ASP  22          1HB       ASP  22   3.187  -9.763  -9.763
  146    H    LEU  23           H        LEU  23   4.502  -9.402  -9.402
  147    HA   LEU  23           HA       LEU  23   7.143  -8.639  -8.639
  148   1HB   LEU  23          2HB       LEU  23   6.893  -9.436  -9.436
  149   2HB   LEU  23          1HB       LEU  23   7.645 -10.804 -10.804
  150    HG   LEU  23           HG       LEU  23   9.331  -9.270  -9.270
  151   1HD1  LEU  23          3HD1      LEU  23   7.695  -7.263  -7.263
  152   2HD1  LEU  23          2HD1      LEU  23   8.314  -7.149  -7.149
  153   3HD1  LEU  23          1HD1      LEU  23   9.411  -6.972  -6.972
  154   1HD2  LEU  23          1HD2      LEU  23   8.965  -9.767  -9.767
  155   2HD2  LEU  23          3HD2      LEU  23  10.360 -10.091 -10.091
  156   3HD2  LEU  23          2HD2      LEU  23  10.102  -8.472  -8.472
  157    H    GLY  24           H        GLY  24   6.411  -9.605  -9.605
  158   1HA   GLY  24          2HA       GLY  24   7.264 -11.749 -11.749
  159   2HA   GLY  24          1HA       GLY  24   6.267 -12.591 -12.591
  160    H    SER  25           H        SER  25   3.901 -12.072 -12.072
  161    HA   SER  25           HA       SER  25   2.869 -10.864 -10.864
  162   1HB   SER  25          2HB       SER  25   3.218 -13.029 -13.029
  163   2HB   SER  25          1HB       SER  25   2.708 -13.825 -13.825
  164    HG   SER  25           HG       SER  25   1.236 -13.199 -13.199
  165    H    CYS  26           H        CYS  26   1.442  -9.515  -9.515
  166    HA   CYS  26           HA       CYS  26   0.183  -9.808  -9.808
  167   1HB   CYS  26          2HB       CYS  26  -1.779  -8.514  -8.514
  168   2HB   CYS  26          1HB       CYS  26  -0.199  -7.742  -7.742
  169    H    ASN  27           H        ASN  27  -1.088 -11.397 -11.397
  170    HA   ASN  27           HA       ASN  27  -2.061 -13.623 -13.623
  171   1HB   ASN  27          2HB       ASN  27  -4.058 -13.362 -13.362
  172   2HB   ASN  27          1HB       ASN  27  -2.429 -13.809 -13.809
  173   1HD2  ASN  27          2HD2      ASN  27  -3.952 -10.201 -10.201
  174   2HD2  ASN  27          1HD2      ASN  27  -4.832 -11.248 -11.248
  175    H    ALA  28           H        ALA  28  -4.181 -14.196 -14.196
  176    HA   ALA  28           HA       ALA  28  -5.194 -12.465 -12.465
  177   1HB   ALA  28          1HB       ALA  28  -6.710 -14.620 -14.620
  178   2HB   ALA  28          3HB       ALA  28  -7.192 -13.921 -13.921
  179   3HB   ALA  28          2HB       ALA  28  -5.713 -14.875 -14.875
  180    H    GLY  29           H        GLY  29  -7.419 -11.445 -11.445
  181   1HA   GLY  29          2HA       GLY  29  -9.214 -10.284 -10.284
  182   2HA   GLY  29          1HA       GLY  29  -8.417 -10.562 -10.562
  183    H    TRP  30           H        TRP  30  -5.884  -9.626  -9.626
  184    HA   TRP  30           HA       TRP  30  -6.384  -6.723  -6.723
  185   1HB   TRP  30          2HB       TRP  30  -3.769  -8.261  -8.261
  186   2HB   TRP  30          1HB       TRP  30  -3.954  -6.539  -6.539
  187    HD1  TRP  30           HD1      TRP  30  -5.365  -9.892  -9.892
  188    HE1  TRP  30           HE1      TRP  30  -5.724  -9.656  -9.656
  189    HE3  TRP  30           HE3      TRP  30  -4.010  -5.008  -5.008
  190    HZ2  TRP  30           HZ2      TRP  30  -5.469  -7.660  -7.660
  191    HZ3  TRP  30           HZ3      TRP  30  -4.078  -3.967  -3.967
  192    HH2  TRP  30           HH2      TRP  30  -4.806  -5.285  -5.285
  193    H    GLU  31           H        GLU  31  -5.359  -5.217  -5.217
  194    HA   GLU  31           HA       GLU  31  -4.792  -6.454  -6.454
  195   1HB   GLU  31          2HB       GLU  31  -5.662  -4.134  -4.134
  196   2HB   GLU  31          1HB       GLU  31  -6.837  -5.353  -5.353
  197   1HG   GLU  31          2HG       GLU  31  -7.213  -4.306  -4.306
  198   2HG   GLU  31          1HG       GLU  31  -5.752  -3.326  -3.326
  199    H    LYS  32           H        LYS  32  -2.687  -6.148  -6.148
  200    HA   LYS  32           HA       LYS  32  -0.770  -4.659  -4.659
  201   1HB   LYS  32          2HB       LYS  32  -0.069  -6.104  -6.104
  202   2HB   LYS  32          1HB       LYS  32  -1.048  -5.239  -5.239
  203   1HG   LYS  32          2HG       LYS  32   0.362  -3.227  -3.227
  204   2HG   LYS  32          1HG       LYS  32   1.358  -4.118  -4.118
  205   1HD   LYS  32          2HD       LYS  32   2.583  -4.439  -4.439
  206   2HD   LYS  32          1HD       LYS  32   1.534  -5.856  -5.856
  207   1HE   LYS  32          2HE       LYS  32  -0.091  -4.173  -4.173
  208   2HE   LYS  32          1HE       LYS  32   1.428  -3.363  -3.363
  209   1HZ   LYS  32          2HZ       LYS  32   1.135  -6.273  -6.273
  210   2HZ   LYS  32          1HZ       LYS  32   0.593  -5.188  -5.188
  211   3HZ   LYS  32          3HZ       LYS  32   2.229  -5.206  -5.206
  212    H    CYS  33           H        CYS  33   0.258  -2.550  -2.550
  213    HA   CYS  33           HA       CYS  33  -1.769  -0.605  -0.605
  214   1HB   CYS  33          2HB       CYS  33   0.195  -0.330  -0.330
  215   2HB   CYS  33          1HB       CYS  33  -0.638   1.049   1.049
  216    H    ALA  34           H        ALA  34   1.706  -1.286  -1.286
  217    HA   ALA  34           HA       ALA  34   2.208   0.559   0.559
  218   1HB   ALA  34          1HB       ALA  34   3.346   0.745   0.745
  219   2HB   ALA  34          3HB       ALA  34   4.469  -0.391  -0.391
  220   3HB   ALA  34          2HB       ALA  34   4.198   1.192   1.192
  221    H    SER  35           H        SER  35   3.203  -0.289  -0.289
  222    HA   SER  35           HA       SER  35   3.050  -2.962  -2.962
  223   1HB   SER  35          2HB       SER  35   4.965  -2.488  -2.488
  224   2HB   SER  35          1HB       SER  35   3.631  -1.342  -1.342
  225    HG   SER  35           HG       SER  35   6.208  -0.911  -0.911
  226    H    TYR  36           H        TYR  36   5.433  -1.443  -1.443
  227    HA   TYR  36           HA       TYR  36   6.360  -4.039  -4.039
  228   1HB   TYR  36          2HB       TYR  36   7.635  -3.569  -3.569
  229   2HB   TYR  36          1HB       TYR  36   8.469  -2.307  -2.307
  230    HD1  TYR  36           HD1      TYR  36   7.418  -5.880  -5.880
  231    HD2  TYR  36           HD2      TYR  36  10.484  -2.909  -2.909
  232    HE1  TYR  36           HE1      TYR  36   8.916  -7.585  -7.585
  233    HE2  TYR  36           HE2      TYR  36  11.983  -4.614  -4.614
  234    HH   TYR  36           HH       TYR  36  11.475  -7.876  -7.876
  235    H    TYR  37           H        TYR  37   5.446  -2.798  -2.798
  236    HA   TYR  37           HA       TYR  37   6.314  -0.412  -0.412
  237   1HB   TYR  37          2HB       TYR  37   4.659  -1.776  -1.776
  238   2HB   TYR  37          1HB       TYR  37   5.860  -3.028  -3.028
  239    HD1  TYR  37           HD1      TYR  37   6.803   0.510   0.510
  240    HD2  TYR  37           HD2      TYR  37   5.484  -2.878  -2.878
  241    HE1  TYR  37           HE1      TYR  37   7.452   1.669   1.669
  242    HE2  TYR  37           HE2      TYR  37   6.133  -1.719  -1.719
  243    HH   TYR  37           HH       TYR  37   7.658   0.064   0.064
  244    H    THR  38           H        THR  38   7.704  -3.107  -3.107
  245    HA   THR  38           HA       THR  38  10.386  -1.846  -1.846
  246    HB   THR  38           HB       THR  38   9.520  -1.853  -1.853
  247    HG1  THR  38           HG1      THR  38  11.407  -2.578  -2.578
  248   1HG2  THR  38          1HG2      THR  38   8.670  -4.447  -4.447
  249   2HG2  THR  38          3HG2      THR  38   9.910  -4.663  -4.663
  250   3HG2  THR  38          2HG2      THR  38   8.498  -3.660  -3.660
  251    H    ILE  39           H        ILE  39  12.163  -3.678  -3.678
  252    HA   ILE  39           HA       ILE  39  12.018  -5.535  -5.535
  253    HB   ILE  39           HB       ILE  39  13.860  -5.353  -5.353
  254   1HG1  ILE  39          2HG1      ILE  39  15.300  -4.938  -4.938
  255   2HG1  ILE  39          1HG1      ILE  39  13.743  -4.208  -4.208
  256   1HG2  ILE  39          1HG2      ILE  39  13.773  -7.304  -7.304
  257   2HG2  ILE  39          3HG2      ILE  39  15.300  -6.897  -6.897
  258   3HG2  ILE  39          2HG2      ILE  39  13.999  -7.635  -7.635
  259   1HD1  ILE  39          1HD1      ILE  39  15.117  -3.632  -3.632
  260   2HD1  ILE  39          3HD1      ILE  39  15.502  -2.712  -2.712
  261   3HD1  ILE  39          2HD1      ILE  39  13.860  -2.696  -2.696
  262    H    ILE  40           H        ILE  40  10.702  -5.651  -5.651
  263    HA   ILE  40           HA       ILE  40  10.086  -8.535  -8.535
  264    HB   ILE  40           HB       ILE  40  11.981  -7.912  -7.912
  265   1HG1  ILE  40          2HG1      ILE  40  11.330 -10.178 -10.178
  266   2HG1  ILE  40          1HG1      ILE  40  11.113  -9.858  -9.858
  267   1HG2  ILE  40          2HG2      ILE  40  10.190  -6.333  -6.333
  268   2HG2  ILE  40          1HG2      ILE  40   9.641  -7.829  -7.829
  269   3HG2  ILE  40          3HG2      ILE  40  11.295  -7.270  -7.270
  270   1HD1  ILE  40          3HD1      ILE  40   8.886  -9.638  -9.638
  271   2HD1  ILE  40          2HD1      ILE  40   9.183 -11.075 -11.075
  272   3HD1  ILE  40          1HD1      ILE  40   8.733  -9.558  -9.558
  273    H    ALA  41           H        ALA  41   8.461  -6.241  -6.241
  274    HA   ALA  41           HA       ALA  41   6.065  -6.988  -6.988
  275   1HB   ALA  41          2HB       ALA  41   7.437  -5.391  -5.391
  276   2HB   ALA  41          1HB       ALA  41   6.864  -4.129  -4.129
  277   3HB   ALA  41          3HB       ALA  41   5.706  -5.121  -5.121
  278    H    ASP  42           H        ASP  42   4.196  -5.532  -5.532
  279    HA   ASP  42           HA       ASP  42   4.763  -4.111  -4.111
  280   1HB   ASP  42          2HB       ASP  42   3.681  -6.700  -6.700
  281   2HB   ASP  42          1HB       ASP  42   2.299  -5.639  -5.639
  282    H    CYS  43           H        CYS  43   3.870  -3.459  -3.459
  283    HA   CYS  43           HA       CYS  43   2.208  -2.166  -2.166
  284   1HB   CYS  43          2HB       CYS  43   2.723  -0.957  -0.957
  285   2HB   CYS  43          1HB       CYS  43   1.398  -0.307  -0.307
  286    H    CYS  44           H        CYS  44   0.686  -3.994  -3.994
  287    HA   CYS  44           HA       CYS  44  -1.444  -3.963  -3.963
  288   1HB   CYS  44          2HB       CYS  44  -0.307  -5.970  -5.970
  289   2HB   CYS  44          1HB       CYS  44  -2.069  -5.936  -5.936
  290    H    ARG  45           H        ARG  45  -3.463  -3.164  -3.164
  291    HA   ARG  45           HA       ARG  45  -3.913  -2.174  -2.174
  292   1HB   ARG  45          2HB       ARG  45  -3.951  -0.403  -0.403
  293   2HB   ARG  45          1HB       ARG  45  -5.137  -1.299  -1.299
  294   1HG   ARG  45          2HG       ARG  45  -6.195  -1.130  -1.130
  295   2HG   ARG  45          1HG       ARG  45  -5.584   0.478   0.478
  296   1HD   ARG  45          2HD       ARG  45  -7.473  -1.161  -1.161
  297   2HD   ARG  45          1HD       ARG  45  -7.915   0.245   0.245
  298    HE   ARG  45           HE       ARG  45  -5.911   0.499   0.499
  299   1HH1  ARG  45          2HH1      ARG  45  -6.104   3.059   3.059
  300   2HH1  ARG  45          1HH1      ARG  45  -7.599   3.697   3.697
  301   1HH2  ARG  45          1HH2      ARG  45  -9.032   0.579   0.579
  302   2HH2  ARG  45          2HH2      ARG  45  -9.257   2.293   2.293
  303    H    LYS  46           H        LYS  46  -5.440  -3.227  -3.227
  304    HA   LYS  46           HA       LYS  46  -6.787  -5.532  -5.532
  305   1HB   LYS  46          2HB       LYS  46  -6.772  -3.962  -3.962
  306   2HB   LYS  46          1HB       LYS  46  -8.422  -3.714  -3.714
  307   1HG   LYS  46          2HG       LYS  46  -8.770  -6.149  -6.149
  308   2HG   LYS  46          1HG       LYS  46  -7.115  -6.412  -6.412
  309   1HD   LYS  46          2HD       LYS  46  -7.558  -5.512  -5.512
  310   2HD   LYS  46          1HD       LYS  46  -9.051  -4.743  -4.743
  311   1HE   LYS  46          2HE       LYS  46  -9.946  -7.083  -7.083
  312   2HE   LYS  46          1HE       LYS  46  -8.537  -7.697  -7.697
  313   1HZ   LYS  46          2HZ       LYS  46  -9.335  -5.955  -5.955
  314   2HZ   LYS  46          1HZ       LYS  46 -10.839  -6.202  -6.202
  315   3HZ   LYS  46          3HZ       LYS  46 -10.012  -7.512  -7.512
  316    H    LYS  47           H        LYS  47  -8.749  -6.023  -6.023
  317    HA   LYS  47           HA       LYS  47  -9.808  -3.913  -3.913
  318   1HB   LYS  47          2HB       LYS  47  -9.421  -6.620  -6.620
  319   2HB   LYS  47          1HB       LYS  47 -11.154  -6.530  -6.530
  320   1HG   LYS  47          2HG       LYS  47 -11.533  -5.097  -5.097
  321   2HG   LYS  47          1HG       LYS  47  -9.823  -4.684  -4.684
  322   1HD   LYS  47          2HD       LYS  47 -10.366  -6.246  -6.246
  323   2HD   LYS  47          1HD       LYS  47  -9.358  -7.082  -7.082
  324   1HE   LYS  47          2HE       LYS  47 -11.013  -8.658  -8.658
  325   2HE   LYS  47          1HE       LYS  47 -11.797  -7.606  -7.606
  326   1HZ   LYS  47          1HZ       LYS  47 -12.682  -6.395  -6.395
  327   2HZ   LYS  47          3HZ       LYS  47 -12.279  -7.815  -7.815
  328   3HZ   LYS  47          2HZ       LYS  47 -13.399  -7.871  -7.871
  329    H    LYS  48           H        LYS  48 -10.741  -2.671  -2.671
  330    HA   LYS  48           HA       LYS  48 -13.536  -3.449  -3.449
  331   1HB   LYS  48          2HB       LYS  48 -11.528  -3.974  -3.974
  332   2HB   LYS  48          1HB       LYS  48 -12.689  -2.787  -2.787
  333   1HG   LYS  48          2HG       LYS  48 -14.232  -4.397  -4.397
  334   2HG   LYS  48          1HG       LYS  48 -14.105  -4.848  -4.848
  335   1HD   LYS  48          2HD       LYS  48 -11.879  -6.027  -6.027
  336   2HD   LYS  48          1HD       LYS  48 -12.675  -5.990  -5.990
  337   1HE   LYS  48          2HE       LYS  48 -14.606  -6.836  -6.836
  338   2HE   LYS  48          1HE       LYS  48 -13.145  -7.789  -7.789
  339   1HZ   LYS  48          1HZ       LYS  48 -14.463  -7.388  -7.388
  340   2HZ   LYS  48          3HZ       LYS  48 -14.644  -8.767  -8.767
  341   3HZ   LYS  48          2HZ       LYS  48 -13.123  -8.382  -8.382
  342   1H    NH2  49          1HT       LYS  48 -13.084  -1.290  -1.290
  343   2H    NH2  49          2HT       LYS  48 -13.155   0.152   0.152

  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1   3.175  -2.961  -2.961
    2   2H    ALA   1          3H        ALA   1   4.761  -3.548  -3.548
    3   3H    ALA   1          2H        ALA   1   4.014  -2.807  -2.807
    4    HA   ALA   1           HA       ALA   1   4.747  -0.829  -0.829
    5   1HB   ALA   1          2HB       ALA   1   6.622  -2.279  -2.279
    6   2HB   ALA   1          1HB       ALA   1   5.850  -2.148  -2.148
    7   3HB   ALA   1          3HB       ALA   1   6.458  -0.702  -0.702
    8    H    ALA   2           H        ALA   2   2.147  -0.970  -0.970
    9    HA   ALA   2           HA       ALA   2   1.118  -0.792  -0.792
   10   1HB   ALA   2          1HB       ALA   2   0.385   0.241   0.241
   11   2HB   ALA   2          3HB       ALA   2  -0.016   1.413   1.413
   12   3HB   ALA   2          2HB       ALA   2  -0.662  -0.226  -0.226
   13    H    CYS   3           H        CYS   3   1.701   0.391   0.391
   14    HA   CYS   3           HA       CYS   3   3.044   3.016   3.016
   15   1HB   CYS   3          2HB       CYS   3   4.475   2.638   2.638
   16   2HB   CYS   3          1HB       CYS   3   4.346   1.035   1.035
   17    H    LYS   4           H        LYS   4   2.715   4.576   4.576
   18    HA   LYS   4           HA       LYS   4  -0.163   4.585   4.585
   19   1HB   LYS   4          2HB       LYS   4   0.095   6.877   6.877
   20   2HB   LYS   4          1HB       LYS   4   1.213   6.622   6.622
   21   1HG   LYS   4          2HG       LYS   4   3.004   6.185   6.185
   22   2HG   LYS   4          1HG       LYS   4   1.855   6.858   6.858
   23   1HD   LYS   4          2HD       LYS   4   3.249   8.678   8.678
   24   2HD   LYS   4          1HD       LYS   4   1.694   8.892   8.892
   25   1HE   LYS   4          2HE       LYS   4   3.144   9.176   9.176
   26   2HE   LYS   4          1HE       LYS   4   2.830   7.444   7.444
   27   1HZ   LYS   4          1HZ       LYS   4   5.005   8.242   8.242
   28   2HZ   LYS   4          3HZ       LYS   4   5.270   8.485   8.485
   29   3HZ   LYS   4          2HZ       LYS   4   4.899   6.932   6.932
   30    H    CYS   5           H        CYS   5  -0.831   3.668   3.668
   31    HA   CYS   5           HA       CYS   5   1.070   2.943   2.943
   32   1HB   CYS   5          2HB       CYS   5  -1.862   2.596   2.596
   33   2HB   CYS   5          1HB       CYS   5  -1.270   2.462   2.462
   34    H    ASP   6           H        ASP   6   0.094   3.486   3.486
   35    HA   ASP   6           HA       ASP   6   0.374   6.400   6.400
   36   1HB   ASP   6          2HB       ASP   6   0.208   4.131   4.131
   37   2HB   ASP   6          1HB       ASP   6   0.080   5.808   5.808
   38    H    ASP   7           H        ASP   7  -2.171   4.655   4.655
   39    HA   ASP   7           HA       ASP   7  -4.075   6.426   6.426
   40   1HB   ASP   7          2HB       ASP   7  -3.924   3.578   3.578
   41   2HB   ASP   7          1HB       ASP   7  -5.389   4.001   4.001
   42    H    GLU   8           H        GLU   8  -2.766   6.492   6.492
   43    HA   GLU   8           HA       GLU   8  -4.390   5.776   5.776
   44   1HB   GLU   8          2HB       GLU   8  -3.031   8.457   8.457
   45   2HB   GLU   8          1HB       GLU   8  -3.628   7.857   7.857
   46   1HG   GLU   8          2HG       GLU   8  -1.746   6.163   6.163
   47   2HG   GLU   8          1HG       GLU   8  -1.108   7.489   7.489
   48    H    GLY   9           H        GLY   9  -5.084   8.145   8.145
   49   1HA   GLY   9          2HA       GLY   9  -7.831   8.180   8.180
   50   2HA   GLY   9          1HA       GLY   9  -7.310   9.364   9.364
   51    HA   PRO  10           HA       PRO  10  -7.496  11.472  11.472
   52   1HB   PRO  10          2HB       PRO  10  -9.458  13.252  13.252
   53   2HB   PRO  10          1HB       PRO  10  -9.791  11.650  11.650
   54   1HG   PRO  10          2HG       PRO  10 -10.110  12.618  12.618
   55   2HG   PRO  10          1HG       PRO  10 -10.973  11.328  11.328
   56   1HD   PRO  10          2HD       PRO  10  -8.877  10.986  10.986
   57   2HD   PRO  10          1HD       PRO  10  -9.547   9.731   9.731
   58    H    ASP  11           H        ASP  11  -6.609  12.138  12.138
   59    HA   ASP  11           HA       ASP  11  -5.749  14.920  14.920
   60   1HB   ASP  11          2HB       ASP  11  -6.654  13.636  13.636
   61   2HB   ASP  11          1HB       ASP  11  -5.407  14.878  14.878
   62    H    ILE  12           H        ILE  12  -3.586  15.528  15.528
   63    HA   ILE  12           HA       ILE  12  -1.792  13.193  13.193
   64    HB   ILE  12           HB       ILE  12  -0.108  14.415  14.415
   65   1HG1  ILE  12          2HG1      ILE  12  -1.477  15.720  15.720
   66   2HG1  ILE  12          1HG1      ILE  12  -2.647  15.941  15.941
   67   1HG2  ILE  12          1HG2      ILE  12  -2.568  12.947  12.947
   68   2HG2  ILE  12          3HG2      ILE  12  -1.532  13.631  13.631
   69   3HG2  ILE  12          2HG2      ILE  12  -0.877  12.460  12.460
   70   1HD1  ILE  12          2HD1      ILE  12   0.294  16.639  16.639
   71   2HD1  ILE  12          1HD1      ILE  12  -0.968  17.804  17.804
   72   3HD1  ILE  12          3HD1      ILE  12  -0.975  17.000  17.000
   73    H    ARG  13           H        ARG  13  -2.972  15.828  15.828
   74    HA   ARG  13           HA       ARG  13  -0.435  17.062  17.062
   75   1HB   ARG  13          2HB       ARG  13  -3.260  17.677  17.677
   76   2HB   ARG  13          1HB       ARG  13  -1.829  18.687  18.687
   77   1HG   ARG  13          2HG       ARG  13  -1.911  19.479  19.479
   78   2HG   ARG  13          1HG       ARG  13  -2.376  17.912  17.912
   79   1HD   ARG  13          2HD       ARG  13  -4.591  18.393  18.393
   80   2HD   ARG  13          1HD       ARG  13  -4.443  19.145  19.145
   81    HE   ARG  13           HE       ARG  13  -3.253  20.878  20.878
   82   1HH1  ARG  13          1HH2      ARG  13  -6.127  19.430  19.430
   83   2HH1  ARG  13          2HH2      ARG  13  -7.116  20.845  20.845
   84   1HH2  ARG  13          2HH1      ARG  13  -4.599  22.785  22.785
   85   2HH2  ARG  13          1HH1      ARG  13  -6.251  22.745  22.745
   86    H    THR  14           H        THR  14  -2.330  14.431  14.431
   87    HA   THR  14           HA       THR  14  -0.980  14.309  14.309
   88    HB   THR  14           HB       THR  14  -3.631  13.309  13.309
   89    HG1  THR  14           HG1      THR  14  -3.694  16.041  16.041
   90   1HG2  THR  14          1HG2      THR  14  -1.945  14.272  14.272
   91   2HG2  THR  14          3HG2      THR  14  -2.449  15.866  15.866
   92   3HG2  THR  14          2HG2      THR  14  -3.615  14.794  14.794
   93    H    ALA  15           H        ALA  15  -0.761  12.128  12.128
   94    HA   ALA  15           HA       ALA  15  -1.865   9.921   9.921
   95   1HB   ALA  15          3HB       ALA  15   0.991  10.798  10.798
   96   2HB   ALA  15          2HB       ALA  15   0.633   9.072   9.072
   97   3HB   ALA  15          1HB       ALA  15  -0.077  10.146  10.146
   98    HA   PRO  16           HA       PRO  16  -1.159   8.769   8.769
   99   1HB   PRO  16          2HB       PRO  16  -3.537   7.434   7.434
  100   2HB   PRO  16          1HB       PRO  16  -3.381   9.183   9.183
  101   1HG   PRO  16          2HG       PRO  16  -4.537   7.666   7.666
  102   2HG   PRO  16          1HG       PRO  16  -4.895   9.307   9.307
  103   1HD   PRO  16          2HD       PRO  16  -3.274   8.599   8.599
  104   2HD   PRO  16          1HD       PRO  16  -3.419  10.217  10.217
  105    H    LEU  17           H        LEU  17  -0.866   7.224   7.224
  106    HA   LEU  17           HA       LEU  17  -0.109   5.106   5.106
  107   1HB   LEU  17          2HB       LEU  17   0.460   5.256   5.256
  108   2HB   LEU  17          1HB       LEU  17   0.566   3.674   3.674
  109    HG   LEU  17           HG       LEU  17   2.100   4.633   4.633
  110   1HD1  LEU  17          2HD1      LEU  17   1.847   7.114   7.114
  111   2HD1  LEU  17          1HD1      LEU  17   3.050   6.900   6.900
  112   3HD1  LEU  17          3HD1      LEU  17   1.334   6.948   6.948
  113   1HD2  LEU  17          2HD2      LEU  17   2.629   4.163   4.163
  114   2HD2  LEU  17          1HD2      LEU  17   3.725   3.955   3.955
  115   3HD2  LEU  17          3HD2      LEU  17   3.648   5.504   5.504
  116    H    THR  18           H        THR  18  -2.491   4.850   4.850
  117    HA   THR  18           HA       THR  18  -4.049   3.190   3.190
  118    HB   THR  18           HB       THR  18  -5.790   3.293   3.293
  119    HG1  THR  18           HG1      THR  18  -5.357   4.355   4.355
  120   1HG2  THR  18          1HG2      THR  18  -5.358   5.155   5.155
  121   2HG2  THR  18          3HG2      THR  18  -4.605   6.043   6.043
  122   3HG2  THR  18          2HG2      THR  18  -6.308   5.591   5.591
  123    H    GLY  19           H        GLY  19  -1.503   2.448   2.448
  124   1HA   GLY  19          2HA       GLY  19  -2.616   0.061   0.061
  125   2HA   GLY  19          1HA       GLY  19  -0.944   0.616   0.616
  126    H    THR  20           H        THR  20  -0.683  -1.831  -1.831
  127    HA   THR  20           HA       THR  20  -0.161  -2.140  -2.140
  128    HB   THR  20           HB       THR  20  -1.986  -3.960  -3.960
  129    HG1  THR  20           HG1      THR  20  -2.268  -2.746  -2.746
  130   1HG2  THR  20          3HG2      THR  20  -0.499  -4.452  -4.452
  131   2HG2  THR  20          2HG2      THR  20  -1.935  -5.365  -5.365
  132   3HG2  THR  20          1HG2      THR  20  -0.482  -5.439  -5.439
  133    H    VAL  21           H        VAL  21   2.061  -2.202  -2.202
  134    HA   VAL  21           HA       VAL  21   3.198  -3.755  -3.755
  135    HB   VAL  21           HB       VAL  21   4.322  -2.798  -2.798
  136   1HG1  VAL  21          1HG1      VAL  21   5.419  -4.684  -4.684
  137   2HG1  VAL  21          3HG1      VAL  21   6.474  -3.304  -3.304
  138   3HG1  VAL  21          2HG1      VAL  21   5.955  -4.338  -4.338
  139   1HG2  VAL  21          2HG2      VAL  21   4.652  -1.907  -1.907
  140   2HG2  VAL  21          1HG2      VAL  21   3.789  -1.041  -1.041
  141   3HG2  VAL  21          3HG2      VAL  21   5.540  -1.229  -1.229
  142    H    ASP  22           H        ASP  22   2.749  -5.915  -5.915
  143    HA   ASP  22           HA       ASP  22   2.728  -7.557  -7.557
  144   1HB   ASP  22          2HB       ASP  22   1.656  -7.952  -7.952
  145   2HB   ASP  22          1HB       ASP  22   1.902  -9.335  -9.335
  146    H    LEU  23           H        LEU  23   4.174  -9.283  -9.283
  147    HA   LEU  23           HA       LEU  23   6.468  -9.294  -9.294
  148   1HB   LEU  23          2HB       LEU  23   6.325 -10.328 -10.328
  149   2HB   LEU  23          1HB       LEU  23   7.772 -10.252 -10.252
  150    HG   LEU  23           HG       LEU  23   6.700  -7.666  -7.666
  151   1HD1  LEU  23          2HD1      LEU  23   6.161  -9.009  -9.009
  152   2HD1  LEU  23          1HD1      LEU  23   6.886  -7.403  -7.403
  153   3HD1  LEU  23          3HD1      LEU  23   5.350  -7.631  -7.631
  154   1HD2  LEU  23          2HD2      LEU  23   9.101  -8.423  -8.423
  155   2HD2  LEU  23          1HD2      LEU  23   8.740  -7.067  -7.067
  156   3HD2  LEU  23          3HD2      LEU  23   8.888  -8.695  -8.695
  157    H    GLY  24           H        GLY  24   5.467 -10.748 -10.748
  158   1HA   GLY  24          2HA       GLY  24   6.062 -13.323 -13.323
  159   2HA   GLY  24          1HA       GLY  24   4.776 -13.451 -13.451
  160    H    SER  25           H        SER  25   5.036 -11.355 -11.355
  161    HA   SER  25           HA       SER  25   3.602 -11.141 -11.141
  162   1HB   SER  25          2HB       SER  25   2.422 -13.838 -13.838
  163   2HB   SER  25          1HB       SER  25   2.881 -13.101 -13.101
  164    HG   SER  25           HG       SER  25   4.761 -13.997 -13.997
  165    H    CYS  26           H        CYS  26   1.449 -10.464 -10.464
  166    HA   CYS  26           HA       CYS  26  -0.086  -9.719  -9.719
  167   1HB   CYS  26          2HB       CYS  26  -0.704  -9.931  -9.931
  168   2HB   CYS  26          1HB       CYS  26  -1.965  -9.493  -9.493
  169    H    ASN  27           H        ASN  27  -1.903 -10.663 -10.663
  170    HA   ASN  27           HA       ASN  27  -2.339 -13.535 -13.535
  171   1HB   ASN  27          2HB       ASN  27  -2.295 -11.996 -11.996
  172   2HB   ASN  27          1HB       ASN  27  -3.564 -13.215 -13.215
  173   1HD2  ASN  27          2HD2      ASN  27  -0.763 -15.149 -15.149
  174   2HD2  ASN  27          1HD2      ASN  27  -1.955 -14.070 -14.070
  175    H    ALA  28           H        ALA  28  -4.703 -14.229 -14.229
  176    HA   ALA  28           HA       ALA  28  -6.505 -12.847 -12.847
  177   1HB   ALA  28          2HB       ALA  28  -6.524 -15.291 -15.291
  178   2HB   ALA  28          1HB       ALA  28  -7.673 -14.448 -14.448
  179   3HB   ALA  28          3HB       ALA  28  -7.965 -14.548 -14.548
  180    H    GLY  29           H        GLY  29  -8.434 -11.628 -11.628
  181   1HA   GLY  29          2HA       GLY  29  -9.698 -10.160 -10.160
  182   2HA   GLY  29          1HA       GLY  29  -8.707 -10.642 -10.642
  183    H    TRP  30           H        TRP  30  -6.788  -9.802  -9.802
  184    HA   TRP  30           HA       TRP  30  -6.574  -6.968  -6.968
  185   1HB   TRP  30          2HB       TRP  30  -4.315  -8.960  -8.960
  186   2HB   TRP  30          1HB       TRP  30  -4.065  -7.218  -7.218
  187    HD1  TRP  30           HD1      TRP  30  -5.169 -10.257 -10.257
  188    HE1  TRP  30           HE1      TRP  30  -5.180  -9.637  -9.637
  189    HE3  TRP  30           HE3      TRP  30  -4.307  -5.235  -5.235
  190    HZ2  TRP  30           HZ2      TRP  30  -4.865  -7.317  -7.317
  191    HZ3  TRP  30           HZ3      TRP  30  -4.168  -3.845  -3.845
  192    HH2  TRP  30           HH2      TRP  30  -4.445  -4.880  -4.880
  193    H    GLU  31           H        GLU  31  -5.939  -5.514  -5.514
  194    HA   GLU  31           HA       GLU  31  -5.726  -6.714  -6.714
  195   1HB   GLU  31          2HB       GLU  31  -7.204  -4.211  -4.211
  196   2HB   GLU  31          1HB       GLU  31  -6.932  -4.672  -4.672
  197   1HG   GLU  31          2HG       GLU  31  -8.058  -6.883  -6.883
  198   2HG   GLU  31          1HG       GLU  31  -8.523  -6.179  -6.179
  199    H    LYS  32           H        LYS  32  -3.606  -6.407  -6.407
  200    HA   LYS  32           HA       LYS  32  -1.759  -4.616  -4.616
  201   1HB   LYS  32          2HB       LYS  32  -1.071  -6.292  -6.292
  202   2HB   LYS  32          1HB       LYS  32  -2.065  -5.560  -5.560
  203   1HG   LYS  32          2HG       LYS  32  -0.684  -3.462  -3.462
  204   2HG   LYS  32          1HG       LYS  32   0.386  -4.362  -4.362
  205   1HD   LYS  32          2HD       LYS  32  -0.262  -5.592  -5.592
  206   2HD   LYS  32          1HD       LYS  32   0.845  -4.218  -4.218
  207   1HE   LYS  32          2HE       LYS  32   2.443  -5.762  -5.762
  208   2HE   LYS  32          1HE       LYS  32   1.790  -5.717  -5.717
  209   1HZ   LYS  32          1HZ       LYS  32   0.748  -7.517  -7.517
  210   2HZ   LYS  32          3HZ       LYS  32   1.967  -7.977  -7.977
  211   3HZ   LYS  32          2HZ       LYS  32   0.422  -7.571  -7.571
  212    H    CYS  33           H        CYS  33  -1.598  -2.427  -2.427
  213    HA   CYS  33           HA       CYS  33  -3.249  -0.895  -0.895
  214   1HB   CYS  33          2HB       CYS  33  -3.162   0.937   0.937
  215   2HB   CYS  33          1HB       CYS  33  -4.103  -0.487  -0.487
  216    H    ALA  34           H        ALA  34  -0.163  -1.810  -1.810
  217    HA   ALA  34           HA       ALA  34   0.884   0.656   0.656
  218   1HB   ALA  34          3HB       ALA  34   1.931  -0.662  -0.662
  219   2HB   ALA  34          2HB       ALA  34   2.985   0.299   0.299
  220   3HB   ALA  34          1HB       ALA  34   1.579   1.044   1.044
  221    H    SER  35           H        SER  35   2.031   0.093   0.093
  222    HA   SER  35           HA       SER  35   2.335  -2.469  -2.469
  223   1HB   SER  35          2HB       SER  35   4.639  -1.300  -1.300
  224   2HB   SER  35          1HB       SER  35   3.047  -1.029  -1.029
  225    HG   SER  35           HG       SER  35   4.195   0.913   0.913
  226    H    TYR  36           H        TYR  36   4.203  -0.931  -0.931
  227    HA   TYR  36           HA       TYR  36   5.378  -3.474  -3.474
  228   1HB   TYR  36          2HB       TYR  36   6.804  -2.383  -2.383
  229   2HB   TYR  36          1HB       TYR  36   7.442  -1.402  -1.402
  230    HD1  TYR  36           HD2      TYR  36   6.348  -4.986  -4.986
  231    HD2  TYR  36           HD1      TYR  36   9.541  -2.224  -2.224
  232    HE1  TYR  36           HE2      TYR  36   7.802  -6.868  -6.868
  233    HE2  TYR  36           HE1      TYR  36  10.995  -4.107  -4.107
  234    HH   TYR  36           HH       TYR  36  10.900  -6.855  -6.855
  235    H    TYR  37           H        TYR  37   7.667  -1.948  -1.948
  236    HA   TYR  37           HA       TYR  37   6.602   0.124   0.124
  237   1HB   TYR  37          2HB       TYR  37   5.183  -1.557  -1.557
  238   2HB   TYR  37          1HB       TYR  37   6.527  -2.688  -2.688
  239    HD1  TYR  37           HD2      TYR  37   5.839   0.885   0.885
  240    HD2  TYR  37           HD1      TYR  37   7.387  -2.940  -2.940
  241    HE1  TYR  37           HE2      TYR  37   6.389   1.806   1.806
  242    HE2  TYR  37           HE1      TYR  37   7.937  -2.019  -2.019
  243    HH   TYR  37           HH       TYR  37   6.708   0.445   0.445
  244    H    THR  38           H        THR  38   8.401  -2.501  -2.501
  245    HA   THR  38           HA       THR  38  10.825  -0.760  -0.760
  246    HB   THR  38           HB       THR  38  10.003  -1.326  -1.326
  247    HG1  THR  38           HG1      THR  38  12.273  -1.197  -1.197
  248   1HG2  THR  38          3HG2      THR  38   9.518  -3.843  -3.843
  249   2HG2  THR  38          2HG2      THR  38  10.719  -4.108  -4.108
  250   3HG2  THR  38          1HG2      THR  38   9.171  -3.361  -3.361
  251    H    ILE  39           H        ILE  39  12.904  -2.304  -2.304
  252    HA   ILE  39           HA       ILE  39  12.916  -3.887  -3.887
  253    HB   ILE  39           HB       ILE  39  15.012  -3.291  -3.291
  254   1HG1  ILE  39          2HG1      ILE  39  14.344  -1.467  -1.467
  255   2HG1  ILE  39          1HG1      ILE  39  16.012  -1.982  -1.982
  256   1HG2  ILE  39          1HG2      ILE  39  15.103  -5.090  -5.090
  257   2HG2  ILE  39          3HG2      ILE  39  16.561  -4.329  -4.329
  258   3HG2  ILE  39          2HG2      ILE  39  15.634  -5.441  -5.441
  259   1HD1  ILE  39          2HD1      ILE  39  14.629  -3.685  -3.685
  260   2HD1  ILE  39          1HD1      ILE  39  13.688  -2.199  -2.199
  261   3HD1  ILE  39          3HD1      ILE  39  15.409  -2.191  -2.191
  262    H    ILE  40           H        ILE  40  12.074  -4.550  -4.550
  263    HA   ILE  40           HA       ILE  40  12.313  -7.461  -7.461
  264    HB   ILE  40           HB       ILE  40  14.158  -6.380  -6.380
  265   1HG1  ILE  40          2HG1      ILE  40  13.787  -8.809  -8.809
  266   2HG1  ILE  40          1HG1      ILE  40  14.409  -8.528  -8.528
  267   1HG2  ILE  40          3HG2      ILE  40  12.159  -5.460  -5.460
  268   2HG2  ILE  40          2HG2      ILE  40  12.154  -7.088  -7.088
  269   3HG2  ILE  40          1HG2      ILE  40  13.601  -6.089  -6.089
  270   1HD1  ILE  40          2HD1      ILE  40  12.011  -8.605  -8.605
  271   2HD1  ILE  40          1HD1      ILE  40  11.554  -9.152  -9.152
  272   3HD1  ILE  40          3HD1      ILE  40  12.631 -10.135 -10.135
  273    H    ALA  41           H        ALA  41  10.027  -5.720  -5.720
  274    HA   ALA  41           HA       ALA  41   8.106  -7.250  -7.250
  275   1HB   ALA  41          1HB       ALA  41   9.364  -5.309  -5.309
  276   2HB   ALA  41          3HB       ALA  41   7.781  -4.640  -4.640
  277   3HB   ALA  41          2HB       ALA  41   7.901  -6.217  -6.217
  278    H    ASP  42           H        ASP  42   5.879  -6.157  -6.157
  279    HA   ASP  42           HA       ASP  42   5.775  -4.304  -4.304
  280   1HB   ASP  42          2HB       ASP  42   4.909  -6.930  -6.930
  281   2HB   ASP  42          1HB       ASP  42   3.432  -6.034  -6.034
  282    H    CYS  43           H        CYS  43   2.828  -4.231  -4.231
  283    HA   CYS  43           HA       CYS  43   2.200  -3.268  -3.268
  284   1HB   CYS  43          2HB       CYS  43   3.448  -1.444  -1.444
  285   2HB   CYS  43          1HB       CYS  43   1.734  -1.040  -1.040
  286    H    CYS  44           H        CYS  44   0.338  -4.530  -4.530
  287    HA   CYS  44           HA       CYS  44  -1.520  -4.120  -4.120
  288   1HB   CYS  44          2HB       CYS  44  -0.875  -6.341  -6.341
  289   2HB   CYS  44          1HB       CYS  44  -2.603  -5.996  -5.996
  290    H    ARG  45           H        ARG  45  -3.744  -3.553  -3.553
  291    HA   ARG  45           HA       ARG  45  -4.119  -2.149  -2.149
  292   1HB   ARG  45          2HB       ARG  45  -4.314  -1.148  -1.148
  293   2HB   ARG  45          1HB       ARG  45  -5.985  -1.363  -1.363
  294   1HG   ARG  45          2HG       ARG  45  -4.882  -0.273  -0.273
  295   2HG   ARG  45          1HG       ARG  45  -3.930   0.518   0.518
  296   1HD   ARG  45          2HD       ARG  45  -6.659   0.498   0.498
  297   2HD   ARG  45          1HD       ARG  45  -6.608   1.100   1.100
  298    HE   ARG  45           HE       ARG  45  -4.568   2.482   2.482
  299   1HH1  ARG  45          1HH2      ARG  45  -7.511   3.319   3.319
  300   2HH1  ARG  45          2HH2      ARG  45  -7.952   4.221   4.221
  301   1HH2  ARG  45          2HH1      ARG  45  -5.302   3.050   3.050
  302   2HH2  ARG  45          1HH1      ARG  45  -6.702   4.069   4.069
  303    H    LYS  46           H        LYS  46  -5.458  -3.308  -3.308
  304    HA   LYS  46           HA       LYS  46  -7.007  -5.513  -5.513
  305   1HB   LYS  46          2HB       LYS  46  -6.638  -4.546  -4.546
  306   2HB   LYS  46          1HB       LYS  46  -7.898  -3.365  -3.365
  307   1HG   LYS  46          2HG       LYS  46  -9.434  -5.314  -5.314
  308   2HG   LYS  46          1HG       LYS  46  -8.187  -6.376  -6.376
  309   1HD   LYS  46          2HD       LYS  46  -8.323  -5.321  -5.321
  310   2HD   LYS  46          1HD       LYS  46  -9.378  -4.054  -4.054
  311   1HE   LYS  46          2HE       LYS  46 -11.015  -5.919  -5.919
  312   2HE   LYS  46          1HE       LYS  46 -10.016  -6.987  -6.987
  313   1HZ   LYS  46          3HZ       LYS  46 -10.301  -5.299  -5.299
  314   2HZ   LYS  46          2HZ       LYS  46 -11.501  -4.573  -4.573
  315   3HZ   LYS  46          1HZ       LYS  46 -11.696  -6.171  -6.171
  316    H    LYS  47           H        LYS  47  -8.260  -5.530  -5.530
  317    HA   LYS  47           HA       LYS  47  -9.902  -4.838  -4.838
  318   1HB   LYS  47          2HB       LYS  47 -11.437  -3.939  -3.939
  319   2HB   LYS  47          1HB       LYS  47 -12.049  -4.704  -4.704
  320   1HG   LYS  47          2HG       LYS  47 -10.105  -6.452  -6.452
  321   2HG   LYS  47          1HG       LYS  47 -11.215  -5.962  -5.962
  322   1HD   LYS  47          2HD       LYS  47 -12.110  -6.995  -6.995
  323   2HD   LYS  47          1HD       LYS  47 -11.971  -8.002  -8.002
  324   1HE   LYS  47          2HE       LYS  47 -13.430  -5.751  -5.751
  325   2HE   LYS  47          1HE       LYS  47 -14.093  -6.171  -6.171
  326   1HZ   LYS  47          2HZ       LYS  47 -13.684  -8.546  -8.546
  327   2HZ   LYS  47          1HZ       LYS  47 -14.458  -7.483  -7.483
  328   3HZ   LYS  47          3HZ       LYS  47 -15.165  -7.833  -7.833
  329    H    LYS  48           H        LYS  48  -8.369  -2.983  -2.983
  330    HA   LYS  48           HA       LYS  48  -7.956  -0.687  -0.687
  331   1HB   LYS  48          2HB       LYS  48 -10.972  -0.485  -0.485
  332   2HB   LYS  48          1HB       LYS  48  -9.873   0.524   0.524
  333   1HG   LYS  48          2HG       LYS  48  -9.193  -1.600  -1.600
  334   2HG   LYS  48          1HG       LYS  48 -10.568  -2.384  -2.384
  335   1HD   LYS  48          2HD       LYS  48 -12.133  -1.041  -1.041
  336   2HD   LYS  48          1HD       LYS  48 -10.945   0.212   0.212
  337   1HE   LYS  48          2HE       LYS  48  -9.780  -1.381  -1.381
  338   2HE   LYS  48          1HE       LYS  48 -11.063  -2.554  -2.554
  339   1HZ   LYS  48          3HZ       LYS  48 -12.194  -0.065  -0.065
  340   2HZ   LYS  48          2HZ       LYS  48 -11.046  -0.489  -0.489
  341   3HZ   LYS  48          1HZ       LYS  48 -12.325  -1.546  -1.546
  342   1H    NH2  49          1HT       LYS  48  -9.654   1.530   1.530
  343   2H    NH2  49          2HT       LYS  48  -9.426   1.614   1.614

  Start of MODEL    8
    1   1H    ALA   1          2H        ALA   1   2.825  -2.944  -2.944
    2   2H    ALA   1          1H        ALA   1   4.158  -3.991  -3.991
    3   3H    ALA   1          3H        ALA   1   3.797  -2.944  -2.944
    4    HA   ALA   1           HA       ALA   1   5.185  -1.470  -1.470
    5   1HB   ALA   1          3HB       ALA   1   5.498  -3.727  -3.727
    6   2HB   ALA   1          2HB       ALA   1   5.584  -2.246  -2.246
    7   3HB   ALA   1          1HB       ALA   1   6.680  -2.484  -2.484
    8    H    ALA   2           H        ALA   2   3.177  -0.110  -0.110
    9    HA   ALA   2           HA       ALA   2   1.360   0.358   0.358
   10   1HB   ALA   2          1HB       ALA   2   1.769   1.618   1.618
   11   2HB   ALA   2          3HB       ALA   2   2.701   2.729   2.729
   12   3HB   ALA   2          2HB       ALA   2   0.988   2.464   2.464
   13    H    CYS   3           H        CYS   3   1.358   2.100   2.100
   14    HA   CYS   3           HA       CYS   3   3.729   3.308   3.308
   15   1HB   CYS   3          2HB       CYS   3   4.345   1.848   1.848
   16   2HB   CYS   3          1HB       CYS   3   4.368   0.894   0.894
   17    H    LYS   4           H        LYS   4   3.062   4.842   4.842
   18    HA   LYS   4           HA       LYS   4   0.305   5.141   5.141
   19   1HB   LYS   4          2HB       LYS   4   2.846   6.487   6.487
   20   2HB   LYS   4          1HB       LYS   4   1.557   6.649   6.649
   21   1HG   LYS   4          2HG       LYS   4   0.352   8.023   8.023
   22   2HG   LYS   4          1HG       LYS   4   0.611   7.005   7.005
   23   1HD   LYS   4          2HD       LYS   4   1.670   9.153   9.153
   24   2HD   LYS   4          1HD       LYS   4   2.932   7.941   7.941
   25   1HE   LYS   4          2HE       LYS   4   2.683   8.688   8.688
   26   2HE   LYS   4          1HE       LYS   4   2.115  10.179  10.179
   27   1HZ   LYS   4          1HZ       LYS   4   4.225   9.803   9.803
   28   2HZ   LYS   4          3HZ       LYS   4   4.756   8.919   8.919
   29   3HZ   LYS   4          2HZ       LYS   4   4.346  10.558  10.558
   30    H    CYS   5           H        CYS   5  -0.002   5.618   5.618
   31    HA   CYS   5           HA       CYS   5   1.092   3.378   3.378
   32   1HB   CYS   5          2HB       CYS   5  -1.815   3.579   3.579
   33   2HB   CYS   5          1HB       CYS   5  -1.300   2.685   2.685
   34    H    ASP   6           H        ASP   6  -0.022   3.477   3.477
   35    HA   ASP   6           HA       ASP   6   0.260   6.229   6.229
   36   1HB   ASP   6          2HB       ASP   6   0.629   3.747   3.747
   37   2HB   ASP   6          1HB       ASP   6  -0.867   4.300   4.300
   38    H    ASP   7           H        ASP   7  -2.239   4.740   4.740
   39    HA   ASP   7           HA       ASP   7  -4.229   6.437   6.437
   40   1HB   ASP   7          2HB       ASP   7  -4.225   3.568   3.568
   41   2HB   ASP   7          1HB       ASP   7  -5.607   4.236   4.236
   42    H    GLU   8           H        GLU   8  -2.586   6.624   6.624
   43    HA   GLU   8           HA       GLU   8  -4.140   6.271   6.271
   44   1HB   GLU   8          2HB       GLU   8  -2.025   8.215   8.215
   45   2HB   GLU   8          1HB       GLU   8  -2.955   8.584   8.584
   46   1HG   GLU   8          2HG       GLU   8  -1.929   5.798   5.798
   47   2HG   GLU   8          1HG       GLU   8  -0.764   7.058   7.058
   48    H    GLY   9           H        GLY   9  -3.909   9.395   9.395
   49   1HA   GLY   9          2HA       GLY   9  -6.548   9.942   9.942
   50   2HA   GLY   9          1HA       GLY   9  -6.423  10.288  10.288
   51    HA   PRO  10           HA       PRO  10  -4.710  13.849  13.849
   52   1HB   PRO  10          2HB       PRO  10  -6.985  15.340  15.340
   53   2HB   PRO  10          1HB       PRO  10  -6.454  14.114  14.114
   54   1HG   PRO  10          2HG       PRO  10  -8.680  14.009  14.009
   55   2HG   PRO  10          1HG       PRO  10  -8.496  13.162  13.162
   56   1HD   PRO  10          2HD       PRO  10  -8.077  12.060  12.060
   57   2HD   PRO  10          1HD       PRO  10  -7.619  11.316  11.316
   58    H    ASP  11           H        ASP  11  -4.004  13.855  13.855
   59    HA   ASP  11           HA       ASP  11  -5.460  16.023  16.023
   60   1HB   ASP  11          2HB       ASP  11  -3.555  13.948  13.948
   61   2HB   ASP  11          1HB       ASP  11  -4.512  15.108  15.108
   62    H    ILE  12           H        ILE  12  -2.138  14.710  14.710
   63    HA   ILE  12           HA       ILE  12  -0.149  15.856  15.856
   64    HB   ILE  12           HB       ILE  12  -1.960  17.555  17.555
   65   1HG1  ILE  12          2HG1      ILE  12   0.253  17.131  17.131
   66   2HG1  ILE  12          1HG1      ILE  12   0.035  18.876  18.876
   67   1HG2  ILE  12          2HG2      ILE  12  -1.839  18.680  18.680
   68   2HG2  ILE  12          1HG2      ILE  12  -0.438  19.468  19.468
   69   3HG2  ILE  12          3HG2      ILE  12  -2.030  19.644  19.644
   70   1HD1  ILE  12          3HD1      ILE  12   1.146  18.666  18.666
   71   2HD1  ILE  12          2HD1      ILE  12   1.618  17.040  17.040
   72   3HD1  ILE  12          1HD1      ILE  12   2.195  18.441  18.441
   73    H    ARG  13           H        ARG  13  -2.217  16.477  16.477
   74    HA   ARG  13           HA       ARG  13  -0.138  17.913  17.913
   75   1HB   ARG  13          2HB       ARG  13  -3.022  17.427  17.427
   76   2HB   ARG  13          1HB       ARG  13  -2.148  17.259  17.259
   77   1HG   ARG  13          2HG       ARG  13  -1.094  19.546  19.546
   78   2HG   ARG  13          1HG       ARG  13  -2.853  19.668  19.668
   79   1HD   ARG  13          2HD       ARG  13  -2.650  20.510  20.510
   80   2HD   ARG  13          1HD       ARG  13  -2.478  18.819  18.819
   81    HE   ARG  13           HE       ARG  13  -0.135  19.173  19.173
   82   1HH1  ARG  13          1HH2      ARG  13   1.251  20.499  20.499
   83   2HH1  ARG  13          2HH2      ARG  13   1.259  22.184  22.184
   84   1HH2  ARG  13          2HH1      ARG  13  -1.429  21.945  21.945
   85   2HH2  ARG  13          1HH1      ARG  13  -0.258  23.002  23.002
   86    H    THR  14           H        THR  14  -2.163  15.085  15.085
   87    HA   THR  14           HA       THR  14   0.271  13.538  13.538
   88    HB   THR  14           HB       THR  14  -0.707  13.023  13.023
   89    HG1  THR  14           HG1      THR  14  -1.973  15.494  15.494
   90   1HG2  THR  14          2HG2      THR  14   1.090  14.899  14.899
   91   2HG2  THR  14          1HG2      THR  14  -0.085  15.914  15.914
   92   3HG2  THR  14          3HG2      THR  14   0.698  14.585  14.585
   93    H    ALA  15           H        ALA  15  -0.128  11.597  11.597
   94    HA   ALA  15           HA       ALA  15  -2.867  10.733  10.733
   95   1HB   ALA  15          2HB       ALA  15  -0.741  10.333  10.333
   96   2HB   ALA  15          1HB       ALA  15  -0.415   9.010   9.010
   97   3HB   ALA  15          3HB       ALA  15  -1.897   9.012   9.012
   98    HA   PRO  16           HA       PRO  16  -3.310   8.272   8.272
   99   1HB   PRO  16          2HB       PRO  16  -5.428   6.777   6.777
  100   2HB   PRO  16          1HB       PRO  16  -5.565   8.480   8.480
  101   1HG   PRO  16          2HG       PRO  16  -5.636   7.256   7.256
  102   2HG   PRO  16          1HG       PRO  16  -6.337   8.779   8.779
  103   1HD   PRO  16          2HD       PRO  16  -3.938   8.469   8.469
  104   2HD   PRO  16          1HD       PRO  16  -4.529   9.964   9.964
  105    H    LEU  17           H        LEU  17  -1.619   7.238   7.238
  106    HA   LEU  17           HA       LEU  17  -0.676   5.210   5.210
  107   1HB   LEU  17          2HB       LEU  17  -0.771   5.243   5.243
  108   2HB   LEU  17          1HB       LEU  17  -0.396   3.692   3.692
  109    HG   LEU  17           HG       LEU  17   1.387   4.820   4.820
  110   1HD1  LEU  17          2HD1      LEU  17   0.374   7.097   7.097
  111   2HD1  LEU  17          1HD1      LEU  17   0.786   7.177   7.177
  112   3HD1  LEU  17          3HD1      LEU  17   2.064   7.091   7.091
  113   1HD2  LEU  17          3HD2      LEU  17   1.350   4.299   4.299
  114   2HD2  LEU  17          2HD2      LEU  17   2.665   4.056   4.056
  115   3HD2  LEU  17          1HD2      LEU  17   2.469   5.616   5.616
  116    H    THR  18           H        THR  18  -2.947   4.850   4.850
  117    HA   THR  18           HA       THR  18  -4.639   2.864   2.864
  118    HB   THR  18           HB       THR  18  -6.026   3.019   3.019
  119    HG1  THR  18           HG1      THR  18  -4.646   2.736   2.736
  120   1HG2  THR  18          2HG2      THR  18  -4.985   5.365   5.365
  121   2HG2  THR  18          1HG2      THR  18  -5.274   5.734   5.734
  122   3HG2  THR  18          3HG2      THR  18  -6.587   5.119   5.119
  123    H    GLY  19           H        GLY  19  -1.655   2.570   2.570
  124   1HA   GLY  19          2HA       GLY  19  -2.210  -0.017  -0.017
  125   2HA   GLY  19          1HA       GLY  19  -0.694   0.882   0.882
  126    H    THR  20           H        THR  20  -1.415  -1.953  -1.953
  127    HA   THR  20           HA       THR  20  -0.022  -1.765  -1.765
  128    HB   THR  20           HB       THR  20  -1.935  -3.962  -3.962
  129    HG1  THR  20           HG1      THR  20  -2.348  -1.526  -1.526
  130   1HG2  THR  20          3HG2      THR  20  -0.065  -4.022  -4.022
  131   2HG2  THR  20          2HG2      THR  20  -1.355  -3.217  -3.217
  132   3HG2  THR  20          1HG2      THR  20  -1.633  -4.807  -4.807
  133    H    VAL  21           H        VAL  21   2.066  -2.319  -2.319
  134    HA   VAL  21           HA       VAL  21   2.815  -4.068  -4.068
  135    HB   VAL  21           HB       VAL  21   4.401  -3.430  -3.430
  136   1HG1  VAL  21          1HG1      VAL  21   4.973  -5.212  -5.212
  137   2HG1  VAL  21          3HG1      VAL  21   5.721  -3.738  -3.738
  138   3HG1  VAL  21          2HG1      VAL  21   6.190  -4.371  -4.371
  139   1HG2  VAL  21          3HG2      VAL  21   3.493  -1.415  -1.415
  140   2HG2  VAL  21          2HG2      VAL  21   5.254  -1.504  -1.504
  141   3HG2  VAL  21          1HG2      VAL  21   4.390  -1.960  -1.960
  142    H    ASP  22           H        ASP  22   2.747  -6.262  -6.262
  143    HA   ASP  22           HA       ASP  22   2.479  -7.731  -7.731
  144   1HB   ASP  22          2HB       ASP  22   1.239  -8.222  -8.222
  145   2HB   ASP  22          1HB       ASP  22   1.346  -9.500  -9.500
  146    H    LEU  23           H        LEU  23   4.748  -8.092  -8.092
  147    HA   LEU  23           HA       LEU  23   6.595  -8.879  -8.879
  148   1HB   LEU  23          2HB       LEU  23   6.253  -9.363  -9.363
  149   2HB   LEU  23          1HB       LEU  23   7.245 -10.570 -10.570
  150    HG   LEU  23           HG       LEU  23   8.487  -8.594  -8.594
  151   1HD1  LEU  23          1HD1      LEU  23   6.824  -7.207  -7.207
  152   2HD1  LEU  23          3HD1      LEU  23   8.361  -6.537  -6.537
  153   3HD1  LEU  23          2HD1      LEU  23   7.040  -6.764  -6.764
  154   1HD2  LEU  23          1HD2      LEU  23   9.431  -9.980  -9.980
  155   2HD2  LEU  23          3HD2      LEU  23   9.899  -8.291  -8.291
  156   3HD2  LEU  23          2HD2      LEU  23   8.618  -8.967  -8.967
  157    H    GLY  24           H        GLY  24   6.053 -10.273 -10.273
  158   1HA   GLY  24          2HA       GLY  24   6.235 -12.820 -12.820
  159   2HA   GLY  24          1HA       GLY  24   4.854 -12.901 -12.901
  160    H    SER  25           H        SER  25   5.334 -10.450 -10.450
  161    HA   SER  25           HA       SER  25   4.043  -9.933  -9.933
  162   1HB   SER  25          2HB       SER  25   4.721 -12.176 -12.176
  163   2HB   SER  25          1HB       SER  25   3.390 -12.893 -12.893
  164    HG   SER  25           HG       SER  25   3.008 -10.874 -10.874
  165    H    CYS  26           H        CYS  26   1.792  -9.543  -9.543
  166    HA   CYS  26           HA       CYS  26   0.064  -8.876  -8.876
  167   1HB   CYS  26          2HB       CYS  26  -0.299  -9.473  -9.473
  168   2HB   CYS  26          1HB       CYS  26  -1.758  -9.483  -9.483
  169    H    ASN  27           H        ASN  27  -1.905  -9.922  -9.922
  170    HA   ASN  27           HA       ASN  27  -1.732 -12.909 -12.909
  171   1HB   ASN  27          2HB       ASN  27  -1.614 -11.123 -11.123
  172   2HB   ASN  27          1HB       ASN  27  -3.070 -12.111 -12.111
  173   1HD2  ASN  27          2HD2      ASN  27   0.362 -13.798 -13.798
  174   2HD2  ASN  27          1HD2      ASN  27   0.062 -12.127 -12.127
  175    H    ALA  28           H        ALA  28  -3.945 -13.884 -13.884
  176    HA   ALA  28           HA       ALA  28  -5.958 -12.928 -12.928
  177   1HB   ALA  28          2HB       ALA  28  -5.500 -15.283 -15.283
  178   2HB   ALA  28          1HB       ALA  28  -6.962 -14.637 -14.637
  179   3HB   ALA  28          3HB       ALA  28  -6.916 -14.934 -14.934
  180    H    GLY  29           H        GLY  29  -7.285 -11.219 -11.219
  181   1HA   GLY  29          2HA       GLY  29  -9.116 -10.332 -10.332
  182   2HA   GLY  29          1HA       GLY  29  -8.013 -10.553 -10.553
  183    H    TRP  30           H        TRP  30  -5.841  -9.600  -9.600
  184    HA   TRP  30           HA       TRP  30  -6.424  -6.685  -6.685
  185   1HB   TRP  30          2HB       TRP  30  -3.743  -8.102  -8.102
  186   2HB   TRP  30          1HB       TRP  30  -3.988  -6.362  -6.362
  187    HD1  TRP  30           HD1      TRP  30  -5.004  -9.639  -9.639
  188    HE1  TRP  30           HE1      TRP  30  -5.349  -9.127  -9.127
  189    HE3  TRP  30           HE3      TRP  30  -4.311  -4.581  -4.581
  190    HZ2  TRP  30           HZ2      TRP  30  -5.333  -6.869  -6.869
  191    HZ3  TRP  30           HZ3      TRP  30  -4.479  -3.275  -3.275
  192    HH2  TRP  30           HH2      TRP  30  -4.990  -4.411  -4.411
  193    H    GLU  31           H        GLU  31  -4.997  -5.353  -5.353
  194    HA   GLU  31           HA       GLU  31  -4.653  -6.795  -6.795
  195   1HB   GLU  31          2HB       GLU  31  -6.229  -4.235  -4.235
  196   2HB   GLU  31          1HB       GLU  31  -5.776  -4.890  -4.890
  197   1HG   GLU  31          2HG       GLU  31  -6.907  -7.088  -7.088
  198   2HG   GLU  31          1HG       GLU  31  -7.743  -5.950  -5.950
  199    H    LYS  32           H        LYS  32  -2.580  -6.421  -6.421
  200    HA   LYS  32           HA       LYS  32  -0.736  -4.679  -4.679
  201   1HB   LYS  32          2HB       LYS  32   0.066  -6.237  -6.237
  202   2HB   LYS  32          1HB       LYS  32  -1.052  -5.669  -5.669
  203   1HG   LYS  32          2HG       LYS  32   0.179  -3.700  -3.700
  204   2HG   LYS  32          1HG       LYS  32   1.033  -3.823  -3.823
  205   1HD   LYS  32          2HD       LYS  32   2.573  -4.475  -4.475
  206   2HD   LYS  32          1HD       LYS  32   2.118  -5.931  -5.931
  207   1HE   LYS  32          2HE       LYS  32   0.219  -5.470  -5.470
  208   2HE   LYS  32          1HE       LYS  32   1.851  -5.453  -5.453
  209   1HZ   LYS  32          3HZ       LYS  32   2.141  -7.538  -7.538
  210   2HZ   LYS  32          2HZ       LYS  32   0.446  -7.610  -7.610
  211   3HZ   LYS  32          1HZ       LYS  32   1.358  -7.678  -7.678
  212    H    CYS  33           H        CYS  33  -0.026  -2.516  -2.516
  213    HA   CYS  33           HA       CYS  33  -2.002  -0.914  -0.914
  214   1HB   CYS  33          2HB       CYS  33  -1.927   0.847   0.847
  215   2HB   CYS  33          1HB       CYS  33  -2.239  -0.650  -0.650
  216    H    ALA  34           H        ALA  34   1.201  -1.850  -1.850
  217    HA   ALA  34           HA       ALA  34   2.049   0.405   0.405
  218   1HB   ALA  34          2HB       ALA  34   2.904  -0.008  -0.008
  219   2HB   ALA  34          1HB       ALA  34   4.272  -0.268  -0.268
  220   3HB   ALA  34          3HB       ALA  34   3.393   1.259   1.259
  221    H    SER  35           H        SER  35   3.196  -0.333  -0.333
  222    HA   SER  35           HA       SER  35   3.415  -2.982  -2.982
  223   1HB   SER  35          2HB       SER  35   5.772  -1.295  -1.295
  224   2HB   SER  35          1HB       SER  35   4.734  -2.246  -2.246
  225    HG   SER  35           HG       SER  35   4.385  -0.018  -0.018
  226    H    TYR  36           H        TYR  36   5.956  -1.130  -1.130
  227    HA   TYR  36           HA       TYR  36   6.843  -3.675  -3.675
  228   1HB   TYR  36          2HB       TYR  36   8.208  -3.064  -3.064
  229   2HB   TYR  36          1HB       TYR  36   8.893  -1.779  -1.779
  230    HD1  TYR  36           HD1      TYR  36   7.858  -5.283  -5.283
  231    HD2  TYR  36           HD2      TYR  36  11.057  -2.424  -2.424
  232    HE1  TYR  36           HE1      TYR  36   9.392  -6.918  -6.918
  233    HE2  TYR  36           HE2      TYR  36  12.591  -4.059  -4.059
  234    HH   TYR  36           HH       TYR  36  12.175  -7.164  -7.164
  235    H    TYR  37           H        TYR  37   5.706  -2.520  -2.520
  236    HA   TYR  37           HA       TYR  37   6.253  -0.068  -0.068
  237   1HB   TYR  37          2HB       TYR  37   4.696  -1.510  -1.510
  238   2HB   TYR  37          1HB       TYR  37   5.917  -2.758  -2.758
  239    HD1  TYR  37           HD2      TYR  37   6.199   0.930   0.930
  240    HD2  TYR  37           HD1      TYR  37   6.087  -2.964  -2.964
  241    HE1  TYR  37           HE2      TYR  37   6.790   1.930   1.930
  242    HE2  TYR  37           HE1      TYR  37   6.677  -1.964  -1.964
  243    HH   TYR  37           HH       TYR  37   8.058   0.590   0.590
  244    H    THR  38           H        THR  38   7.830  -2.610  -2.610
  245    HA   THR  38           HA       THR  38  10.309  -0.978  -0.978
  246    HB   THR  38           HB       THR  38   9.346  -1.670  -1.670
  247    HG1  THR  38           HG1      THR  38  11.410  -1.510  -1.510
  248   1HG2  THR  38          2HG2      THR  38   8.962  -4.120  -4.120
  249   2HG2  THR  38          1HG2      THR  38  10.126  -4.439  -4.439
  250   3HG2  THR  38          3HG2      THR  38   8.554  -3.738  -3.738
  251    H    ILE  39           H        ILE  39  11.430  -3.938  -3.938
  252    HA   ILE  39           HA       ILE  39  11.973  -4.654  -4.654
  253    HB   ILE  39           HB       ILE  39  13.763  -4.748  -4.748
  254   1HG1  ILE  39          2HG1      ILE  39  14.550  -3.718  -3.718
  255   2HG1  ILE  39          1HG1      ILE  39  13.440  -2.740  -2.740
  256   1HG2  ILE  39          2HG2      ILE  39  13.961  -6.208  -6.208
  257   2HG2  ILE  39          1HG2      ILE  39  15.405  -5.792  -5.792
  258   3HG2  ILE  39          3HG2      ILE  39  14.181  -6.846  -6.846
  259   1HD1  ILE  39          1HD1      ILE  39  15.691  -3.786  -3.786
  260   2HD1  ILE  39          3HD1      ILE  39  16.198  -2.732  -2.732
  261   3HD1  ILE  39          2HD1      ILE  39  15.066  -2.141  -2.141
  262    H    ILE  40           H        ILE  40  10.309  -5.556  -5.556
  263    HA   ILE  40           HA       ILE  40  10.269  -8.389  -8.389
  264    HB   ILE  40           HB       ILE  40  10.887  -7.399  -7.399
  265   1HG1  ILE  40          2HG1      ILE  40  12.735  -7.811  -7.811
  266   2HG1  ILE  40          1HG1      ILE  40  12.859  -8.755  -8.755
  267   1HG2  ILE  40          1HG2      ILE  40   9.701  -9.980  -9.980
  268   2HG2  ILE  40          3HG2      ILE  40  10.817  -9.997  -9.997
  269   3HG2  ILE  40          2HG2      ILE  40   9.331  -9.050  -9.050
  270   1HD1  ILE  40          2HD1      ILE  40  11.266 -10.009 -10.009
  271   2HD1  ILE  40          1HD1      ILE  40  12.989  -9.842  -9.842
  272   3HD1  ILE  40          3HD1      ILE  40  12.453 -10.729 -10.729
  273    H    ALA  41           H        ALA  41   8.564  -5.756  -5.756
  274    HA   ALA  41           HA       ALA  41   6.086  -7.193  -7.193
  275   1HB   ALA  41          3HB       ALA  41   6.951  -4.610  -4.610
  276   2HB   ALA  41          2HB       ALA  41   5.361  -5.354  -5.354
  277   3HB   ALA  41          1HB       ALA  41   6.793  -6.181  -6.181
  278    H    ASP  42           H        ASP  42   4.158  -5.578  -5.578
  279    HA   ASP  42           HA       ASP  42   4.775  -3.678  -3.678
  280   1HB   ASP  42          2HB       ASP  42   3.309  -6.219  -6.219
  281   2HB   ASP  42          1HB       ASP  42   2.427  -4.833  -4.833
  282    H    CYS  43           H        CYS  43   3.557  -3.973  -3.973
  283    HA   CYS  43           HA       CYS  43   2.003  -2.774  -2.774
  284   1HB   CYS  43          2HB       CYS  43   2.318  -1.053  -1.053
  285   2HB   CYS  43          1HB       CYS  43   1.168  -0.619  -0.619
  286    H    CYS  44           H        CYS  44   0.350  -4.323  -4.323
  287    HA   CYS  44           HA       CYS  44  -1.647  -4.281  -4.281
  288   1HB   CYS  44          2HB       CYS  44  -0.551  -6.364  -6.364
  289   2HB   CYS  44          1HB       CYS  44  -2.141  -6.142  -6.142
  290    H    ARG  45           H        ARG  45  -3.437  -3.047  -3.047
  291    HA   ARG  45           HA       ARG  45  -4.080  -2.051  -2.051
  292   1HB   ARG  45          2HB       ARG  45  -4.034  -0.460  -0.460
  293   2HB   ARG  45          1HB       ARG  45  -5.322  -1.377  -1.377
  294   1HG   ARG  45          2HG       ARG  45  -5.916  -0.645  -0.645
  295   2HG   ARG  45          1HG       ARG  45  -5.724   0.741   0.741
  296   1HD   ARG  45          2HD       ARG  45  -7.594  -1.611  -1.611
  297   2HD   ARG  45          1HD       ARG  45  -8.056   0.051   0.051
  298    HE   ARG  45           HE       ARG  45  -7.316  -0.969  -0.969
  299   1HH1  ARG  45          1HH1      ARG  45  -6.285   2.472   2.472
  300   2HH1  ARG  45          2HH1      ARG  45  -5.455   0.961   0.961
  301   1HH2  ARG  45          1HH2      ARG  45  -9.225   1.326   1.326
  302   2HH2  ARG  45          2HH2      ARG  45  -8.419   2.678   2.678
  303    H    LYS  46           H        LYS  46  -5.793  -2.822  -2.822
  304    HA   LYS  46           HA       LYS  46  -7.112  -5.233  -5.233
  305   1HB   LYS  46          2HB       LYS  46  -6.967  -3.723  -3.723
  306   2HB   LYS  46          1HB       LYS  46  -8.613  -3.360  -3.360
  307   1HG   LYS  46          2HG       LYS  46  -8.583  -6.046  -6.046
  308   2HG   LYS  46          1HG       LYS  46  -7.458  -5.912  -5.912
  309   1HD   LYS  46          2HD       LYS  46  -9.204  -4.450  -4.450
  310   2HD   LYS  46          1HD       LYS  46 -10.324  -4.950  -4.950
  311   1HE   LYS  46          2HE       LYS  46 -10.767  -6.599  -6.599
  312   2HE   LYS  46          1HE       LYS  46  -9.439  -7.373  -7.373
  313   1HZ   LYS  46          1HZ       LYS  46  -8.746  -5.590  -5.590
  314   2HZ   LYS  46          3HZ       LYS  46  -9.435  -7.084  -7.084
  315   3HZ   LYS  46          2HZ       LYS  46  -8.003  -7.031  -7.031
  316    H    LYS  47           H        LYS  47  -8.431  -5.472  -5.472
  317    HA   LYS  47           HA       LYS  47  -9.658  -3.535  -3.535
  318   1HB   LYS  47          2HB       LYS  47 -11.479  -5.332  -5.332
  319   2HB   LYS  47          1HB       LYS  47  -9.811  -5.758  -5.758
  320   1HG   LYS  47          2HG       LYS  47  -9.631  -7.228  -7.228
  321   2HG   LYS  47          1HG       LYS  47 -10.717  -6.294  -6.294
  322   1HD   LYS  47          2HD       LYS  47 -11.810  -7.645  -7.645
  323   2HD   LYS  47          1HD       LYS  47 -11.525  -8.594  -8.594
  324   1HE   LYS  47          2HE       LYS  47 -13.216  -7.577  -7.577
  325   2HE   LYS  47          1HE       LYS  47 -12.920  -6.009  -6.009
  326   1HZ   LYS  47          3HZ       LYS  47 -13.763  -7.624  -7.624
  327   2HZ   LYS  47          2HZ       LYS  47 -14.769  -8.043  -8.043
  328   3HZ   LYS  47          1HZ       LYS  47 -14.677  -6.428  -6.428
  329    H    LYS  48           H        LYS  48 -10.705  -1.808  -1.808
  330    HA   LYS  48           HA       LYS  48 -13.300  -2.324  -2.324
  331   1HB   LYS  48          2HB       LYS  48 -12.829  -1.161  -1.161
  332   2HB   LYS  48          1HB       LYS  48 -11.674  -2.482  -2.482
  333   1HG   LYS  48          2HG       LYS  48 -10.176  -0.678  -0.678
  334   2HG   LYS  48          1HG       LYS  48 -11.225   0.473   0.473
  335   1HD   LYS  48          2HD       LYS  48  -9.884  -1.815  -1.815
  336   2HD   LYS  48          1HD       LYS  48  -9.110  -0.241  -0.241
  337   1HE   LYS  48          2HE       LYS  48 -11.517   0.577   0.577
  338   2HE   LYS  48          1HE       LYS  48 -11.458  -1.008  -1.008
  339   1HZ   LYS  48          3HZ       LYS  48  -8.965   0.020   0.020
  340   2HZ   LYS  48          2HZ       LYS  48  -9.981   1.364   1.364
  341   3HZ   LYS  48          1HZ       LYS  48 -10.211  -0.035  -0.035
  342   1H    NH2  49          1HT       LYS  48 -13.156   0.498   0.498
  343   2H    NH2  49          2HT       LYS  48 -13.281   1.527   1.527

  Start of MODEL    9
    1   1H    ALA   1          2H        ALA   1   2.830  -2.612  -2.612
    2   2H    ALA   1          1H        ALA   1   4.059  -3.364  -3.364
    3   3H    ALA   1          3H        ALA   1   3.094  -2.167  -2.167
    4    HA   ALA   1           HA       ALA   1   4.969  -0.962  -0.962
    5   1HB   ALA   1          1HB       ALA   1   5.279  -3.051  -3.051
    6   2HB   ALA   1          3HB       ALA   1   5.789  -1.455  -1.455
    7   3HB   ALA   1          2HB       ALA   1   6.513  -2.162  -2.162
    8    H    ALA   2           H        ALA   2   3.736   0.899   0.899
    9    HA   ALA   2           HA       ALA   2   1.721   1.564   1.564
   10   1HB   ALA   2          3HB       ALA   2   3.936   3.394   3.394
   11   2HB   ALA   2          2HB       ALA   2   2.407   3.936   3.936
   12   3HB   ALA   2          1HB       ALA   2   2.421   3.060   3.060
   13    H    CYS   3           H        CYS   3   1.725   1.324   1.324
   14    HA   CYS   3           HA       CYS   3   4.166   2.215   2.215
   15   1HB   CYS   3          2HB       CYS   3   4.050  -0.188  -0.188
   16   2HB   CYS   3          1HB       CYS   3   2.329  -0.130  -0.130
   17    H    LYS   4           H        LYS   4   0.872   2.697   2.697
   18    HA   LYS   4           HA       LYS   4  -0.776   3.913   3.913
   19   1HB   LYS   4          2HB       LYS   4   1.747   5.287   5.287
   20   2HB   LYS   4          1HB       LYS   4   0.817   5.531   5.531
   21   1HG   LYS   4          2HG       LYS   4  -1.169   6.104   6.104
   22   2HG   LYS   4          1HG       LYS   4  -0.041   6.133   6.133
   23   1HD   LYS   4          2HD       LYS   4  -0.450   8.391   8.391
   24   2HD   LYS   4          1HD       LYS   4   1.246   7.906   7.906
   25   1HE   LYS   4          2HE       LYS   4  -0.214   7.017   7.017
   26   2HE   LYS   4          1HE       LYS   4  -0.088   8.768   8.768
   27   1HZ   LYS   4          2HZ       LYS   4   2.322   8.453   8.453
   28   2HZ   LYS   4          1HZ       LYS   4   2.136   6.805   6.805
   29   3HZ   LYS   4          3HZ       LYS   4   1.820   7.979   7.979
   30    H    CYS   5           H        CYS   5  -1.106   4.820   4.820
   31    HA   CYS   5           HA       CYS   5  -0.233   2.667   2.667
   32   1HB   CYS   5          2HB       CYS   5  -3.064   3.388   3.388
   33   2HB   CYS   5          1HB       CYS   5  -2.694   2.736   2.736
   34    H    ASP   6           H        ASP   6  -0.638   3.291   3.291
   35    HA   ASP   6           HA       ASP   6   0.138   6.022   6.022
   36   1HB   ASP   6          2HB       ASP   6   0.770   4.219   4.219
   37   2HB   ASP   6          1HB       ASP   6  -0.928   3.921   3.921
   38    H    ASP   7           H        ASP   7  -2.872   4.625   4.625
   39    HA   ASP   7           HA       ASP   7  -4.392   6.648   6.648
   40   1HB   ASP   7          2HB       ASP   7  -5.076   4.157   4.157
   41   2HB   ASP   7          1HB       ASP   7  -6.325   5.389   5.389
   42    H    GLU   8           H        GLU   8  -3.001   6.259   6.259
   43    HA   GLU   8           HA       GLU   8  -4.925   7.766   7.766
   44   1HB   GLU   8          2HB       GLU   8  -1.955   7.465   7.465
   45   2HB   GLU   8          1HB       GLU   8  -3.208   7.851   7.851
   46   1HG   GLU   8          2HG       GLU   8  -3.009   5.265   5.265
   47   2HG   GLU   8          1HG       GLU   8  -2.583   5.465   5.465
   48    H    GLY   9           H        GLY   9  -1.587   8.792   8.792
   49   1HA   GLY   9          2HA       GLY   9  -2.057  11.064  11.064
   50   2HA   GLY   9          1HA       GLY   9  -2.348  11.593  11.593
   51    HA   PRO  10           HA       PRO  10   2.231  11.775  11.775
   52   1HB   PRO  10          2HB       PRO  10   2.448  14.500  14.500
   53   2HB   PRO  10          1HB       PRO  10   2.098  13.647  13.647
   54   1HG   PRO  10          2HG       PRO  10   0.287  15.251  15.251
   55   2HG   PRO  10          1HG       PRO  10   0.202  14.933  14.933
   56   1HD   PRO  10          2HD       PRO  10  -1.347  13.672  13.672
   57   2HD   PRO  10          1HD       PRO  10  -1.214  13.163  13.163
   58    H    ASP  11           H        ASP  11   1.501  14.667  14.667
   59    HA   ASP  11           HA       ASP  11   3.186  14.169  14.169
   60   1HB   ASP  11          2HB       ASP  11   0.817  15.866  15.866
   61   2HB   ASP  11          1HB       ASP  11   1.110  15.477  15.477
   62    H    ILE  12           H        ILE  12   3.190  12.675  12.675
   63    HA   ILE  12           HA       ILE  12   1.160  10.655  10.655
   64    HB   ILE  12           HB       ILE  12   2.444   9.732   9.732
   65   1HG1  ILE  12          2HG1      ILE  12   2.398  11.823  11.823
   66   2HG1  ILE  12          1HG1      ILE  12   3.965  11.012  11.012
   67   1HG2  ILE  12          1HG2      ILE  12   3.703  10.722  10.722
   68   2HG2  ILE  12          3HG2      ILE  12   4.821  11.043  11.043
   69   3HG2  ILE  12          2HG2      ILE  12   4.255   9.400   9.400
   70   1HD1  ILE  12          3HD1      ILE  12   4.597  12.573  12.573
   71   2HD1  ILE  12          2HD1      ILE  12   3.156  13.500  13.500
   72   3HD1  ILE  12          1HD1      ILE  12   4.459  13.315  13.315
   73    H    ARG  13           H        ARG  13   1.228  13.837  13.837
   74    HA   ARG  13           HA       ARG  13  -0.500  13.284  13.284
   75   1HB   ARG  13          2HB       ARG  13   0.210  16.000  16.000
   76   2HB   ARG  13          1HB       ARG  13  -0.276  15.599  15.599
   77   1HG   ARG  13          2HG       ARG  13   1.827  14.155  14.155
   78   2HG   ARG  13          1HG       ARG  13   2.334  14.930  14.930
   79   1HD   ARG  13          2HD       ARG  13   1.488  17.027  17.027
   80   2HD   ARG  13          1HD       ARG  13   2.446  15.958  15.958
   81    HE   ARG  13           HE       ARG  13   3.506  16.992  16.992
   82   1HH1  ARG  13          2HH1      ARG  13   3.602  17.861  17.861
   83   2HH1  ARG  13          1HH1      ARG  13   5.307  17.657  17.657
   84   1HH2  ARG  13          1HH2      ARG  13   5.777  16.053  16.053
   85   2HH2  ARG  13          2HH2      ARG  13   6.539  16.633  16.633
   86    H    THR  14           H        THR  14  -1.109  13.097  13.097
   87    HA   THR  14           HA       THR  14  -3.720  14.541  14.541
   88    HB   THR  14           HB       THR  14  -3.670  14.854  14.854
   89    HG1  THR  14           HG1      THR  14  -2.266  13.838  13.838
   90   1HG2  THR  14          2HG2      THR  14  -1.710  15.916  15.916
   91   2HG2  THR  14          1HG2      THR  14  -0.937  15.665  15.665
   92   3HG2  THR  14          3HG2      THR  14  -2.385  16.664  16.664
   93    H    ALA  15           H        ALA  15  -2.527  11.591  11.591
   94    HA   ALA  15           HA       ALA  15  -4.954  10.314  10.314
   95   1HB   ALA  15          3HB       ALA  15  -2.087   9.479   9.479
   96   2HB   ALA  15          2HB       ALA  15  -3.418   8.329   8.329
   97   3HB   ALA  15          1HB       ALA  15  -3.353   9.739   9.739
   98    HA   PRO  16           HA       PRO  16  -4.970   8.272   8.272
   99   1HB   PRO  16          2HB       PRO  16  -6.642   6.213   6.213
  100   2HB   PRO  16          1HB       PRO  16  -7.190   7.884   7.884
  101   1HG   PRO  16          2HG       PRO  16  -6.856   6.306   6.306
  102   2HG   PRO  16          1HG       PRO  16  -7.907   7.692   7.692
  103   1HD   PRO  16          2HD       PRO  16  -5.426   7.723   7.723
  104   2HD   PRO  16          1HD       PRO  16  -6.380   9.137   9.137
  105    H    LEU  17           H        LEU  17  -2.945   7.347   7.347
  106    HA   LEU  17           HA       LEU  17  -1.521   5.526   5.526
  107   1HB   LEU  17          2HB       LEU  17  -1.814   5.942   5.942
  108   2HB   LEU  17          1HB       LEU  17  -1.099   4.402   4.402
  109    HG   LEU  17           HG       LEU  17   0.483   5.700   5.700
  110   1HD1  LEU  17          2HD1      LEU  17  -1.270   7.816   7.816
  111   2HD1  LEU  17          1HD1      LEU  17   0.296   8.178   8.178
  112   3HD1  LEU  17          3HD1      LEU  17   0.171   7.908   7.908
  113   1HD2  LEU  17          3HD2      LEU  17   0.668   5.066   5.066
  114   2HD2  LEU  17          2HD2      LEU  17   1.988   5.774   5.774
  115   3HD2  LEU  17          1HD2      LEU  17   0.954   6.805   6.805
  116    H    THR  18           H        THR  18  -3.636   4.558   4.558
  117    HA   THR  18           HA       THR  18  -4.682   2.259   2.259
  118    HB   THR  18           HB       THR  18  -6.248   1.992   1.992
  119    HG1  THR  18           HG1      THR  18  -6.003   3.086   3.086
  120   1HG2  THR  18          2HG2      THR  18  -5.871   4.494   4.494
  121   2HG2  THR  18          1HG2      THR  18  -6.723   4.739   4.739
  122   3HG2  THR  18          3HG2      THR  18  -7.359   3.607   3.607
  123    H    GLY  19           H        GLY  19  -1.864   2.606   2.606
  124   1HA   GLY  19          2HA       GLY  19  -1.921   0.179   0.179
  125   2HA   GLY  19          1HA       GLY  19  -0.592   1.336   1.336
  126    H    THR  20           H        THR  20  -0.800  -1.685  -1.685
  127    HA   THR  20           HA       THR  20   0.726  -1.608  -1.608
  128    HB   THR  20           HB       THR  20  -1.049  -3.957  -3.957
  129    HG1  THR  20           HG1      THR  20  -1.865  -1.373  -1.373
  130   1HG2  THR  20          3HG2      THR  20   0.537  -3.905  -3.905
  131   2HG2  THR  20          2HG2      THR  20  -0.229  -2.433  -2.433
  132   3HG2  THR  20          1HG2      THR  20  -1.132  -3.947  -3.947
  133    H    VAL  21           H        VAL  21   2.391  -3.182  -3.182
  134    HA   VAL  21           HA       VAL  21   3.112  -4.346  -4.346
  135    HB   VAL  21           HB       VAL  21   4.751  -4.195  -4.195
  136   1HG1  VAL  21          2HG1      VAL  21   5.193  -5.214  -5.214
  137   2HG1  VAL  21          1HG1      VAL  21   6.511  -4.272  -4.272
  138   3HG1  VAL  21          3HG1      VAL  21   5.930  -5.721  -5.721
  139   1HG2  VAL  21          1HG2      VAL  21   4.028  -1.965  -1.965
  140   2HG2  VAL  21          3HG2      VAL  21   5.772  -2.216  -2.216
  141   3HG2  VAL  21          2HG2      VAL  21   4.917  -2.409  -2.409
  142    H    ASP  22           H        ASP  22   3.473  -6.581  -6.581
  143    HA   ASP  22           HA       ASP  22   2.684  -8.299  -8.299
  144   1HB   ASP  22          2HB       ASP  22   1.597  -8.188  -8.188
  145   2HB   ASP  22          1HB       ASP  22   1.864  -9.799  -9.799
  146    H    LEU  23           H        LEU  23   4.962  -8.668  -8.668
  147    HA   LEU  23           HA       LEU  23   6.916  -9.424  -9.424
  148   1HB   LEU  23          2HB       LEU  23   6.507  -9.705  -9.705
  149   2HB   LEU  23          1HB       LEU  23   7.284 -11.148 -11.148
  150    HG   LEU  23           HG       LEU  23   8.963  -9.460  -9.460
  151   1HD1  LEU  23          3HD1      LEU  23   8.727 -10.765 -10.765
  152   2HD1  LEU  23          2HD1      LEU  23   9.351  -9.151  -9.151
  153   3HD1  LEU  23          1HD1      LEU  23  10.207 -10.208 -10.208
  154   1HD2  LEU  23          2HD2      LEU  23   7.375  -7.517  -7.517
  155   2HD2  LEU  23          1HD2      LEU  23   9.039  -7.294  -7.294
  156   3HD2  LEU  23          3HD2      LEU  23   7.787  -7.725  -7.725
  157    H    GLY  24           H        GLY  24   6.888 -11.006 -11.006
  158   1HA   GLY  24          2HA       GLY  24   6.901 -13.524 -13.524
  159   2HA   GLY  24          1HA       GLY  24   5.370 -13.510 -13.510
  160    H    SER  25           H        SER  25   3.648 -12.036 -12.036
  161    HA   SER  25           HA       SER  25   3.723 -11.292 -11.292
  162   1HB   SER  25          2HB       SER  25   4.044 -13.440 -13.440
  163   2HB   SER  25          1HB       SER  25   3.163 -14.196 -14.196
  164    HG   SER  25           HG       SER  25   1.439 -14.075 -14.075
  165    H    CYS  26           H        CYS  26   1.785 -10.287 -10.287
  166    HA   CYS  26           HA       CYS  26  -0.073  -9.593  -9.593
  167   1HB   CYS  26          2HB       CYS  26   0.173  -8.681  -8.681
  168   2HB   CYS  26          1HB       CYS  26  -0.897  -9.997  -9.997
  169    H    ASN  27           H        ASN  27  -2.144 -10.400 -10.400
  170    HA   ASN  27           HA       ASN  27  -2.723 -13.191 -13.191
  171   1HB   ASN  27          2HB       ASN  27  -2.528 -12.053 -12.053
  172   2HB   ASN  27          1HB       ASN  27  -3.700 -13.335 -13.335
  173   1HD2  ASN  27          2HD2      ASN  27  -0.906 -15.447 -15.447
  174   2HD2  ASN  27          1HD2      ASN  27  -2.305 -14.745 -14.745
  175    H    ALA  28           H        ALA  28  -5.070 -13.781 -13.781
  176    HA   ALA  28           HA       ALA  28  -6.854 -12.043 -12.043
  177   1HB   ALA  28          1HB       ALA  28  -7.496 -14.069 -14.069
  178   2HB   ALA  28          3HB       ALA  28  -8.664 -13.372 -13.372
  179   3HB   ALA  28          2HB       ALA  28  -7.373 -14.410 -14.410
  180    H    GLY  29           H        GLY  29  -8.749 -10.873 -10.873
  181   1HA   GLY  29          2HA       GLY  29  -9.681  -9.395  -9.395
  182   2HA   GLY  29          1HA       GLY  29  -8.511  -9.990  -9.990
  183    H    TRP  30           H        TRP  30  -6.905  -9.140  -9.140
  184    HA   TRP  30           HA       TRP  30  -6.441  -6.353  -6.353
  185   1HB   TRP  30          2HB       TRP  30  -4.390  -8.451  -8.451
  186   2HB   TRP  30          1HB       TRP  30  -4.007  -6.731  -6.731
  187    HD1  TRP  30           HD1      TRP  30  -5.013  -9.667  -9.667
  188    HE1  TRP  30           HE1      TRP  30  -4.531  -9.051  -9.051
  189    HE3  TRP  30           HE3      TRP  30  -3.736  -4.754  -4.754
  190    HZ2  TRP  30           HZ2      TRP  30  -3.712  -6.773  -6.773
  191    HZ3  TRP  30           HZ3      TRP  30  -3.109  -3.387  -3.387
  192    HH2  TRP  30           HH2      TRP  30  -3.096  -4.388  -4.388
  193    H    GLU  31           H        GLU  31  -5.274  -5.046  -5.046
  194    HA   GLU  31           HA       GLU  31  -5.945  -6.017  -6.017
  195   1HB   GLU  31          2HB       GLU  31  -7.022  -3.580  -3.580
  196   2HB   GLU  31          1HB       GLU  31  -6.725  -3.517  -3.517
  197   1HG   GLU  31          2HG       GLU  31  -8.081  -5.978  -5.978
  198   2HG   GLU  31          1HG       GLU  31  -9.007  -4.538  -4.538
  199    H    LYS  32           H        LYS  32  -3.757  -6.155  -6.155
  200    HA   LYS  32           HA       LYS  32  -1.630  -4.517  -4.517
  201   1HB   LYS  32          2HB       LYS  32  -1.241  -6.419  -6.419
  202   2HB   LYS  32          1HB       LYS  32  -2.293  -5.770  -5.770
  203   1HG   LYS  32          2HG       LYS  32  -0.757  -3.980  -3.980
  204   2HG   LYS  32          1HG       LYS  32   0.220  -4.369  -4.369
  205   1HD   LYS  32          2HD       LYS  32   1.464  -5.714  -5.714
  206   2HD   LYS  32          1HD       LYS  32   0.054  -6.759  -6.759
  207   1HE   LYS  32          2HE       LYS  32  -0.708  -5.345  -5.345
  208   2HE   LYS  32          1HE       LYS  32   0.779  -4.407  -4.407
  209   1HZ   LYS  32          2HZ       LYS  32   2.008  -6.527  -6.527
  210   2HZ   LYS  32          1HZ       LYS  32   0.531  -7.292  -7.292
  211   3HZ   LYS  32          3HZ       LYS  32   1.106  -6.061  -6.061
  212    H    CYS  33           H        CYS  33  -1.453  -2.335  -2.335
  213    HA   CYS  33           HA       CYS  33  -2.940  -0.860  -0.860
  214   1HB   CYS  33          2HB       CYS  33  -2.641   1.121   1.121
  215   2HB   CYS  33          1HB       CYS  33  -3.618  -0.174  -0.174
  216    H    ALA  34           H        ALA  34   0.136  -1.909  -1.909
  217    HA   ALA  34           HA       ALA  34   1.336   0.160   0.160
  218   1HB   ALA  34          1HB       ALA  34   1.769   0.448   0.448
  219   2HB   ALA  34          3HB       ALA  34   2.887  -0.897  -0.897
  220   3HB   ALA  34          2HB       ALA  34   3.117   0.603   0.603
  221    H    SER  35           H        SER  35   2.419  -0.816  -0.816
  222    HA   SER  35           HA       SER  35   2.544  -3.534  -3.534
  223   1HB   SER  35          2HB       SER  35   4.937  -1.889  -1.889
  224   2HB   SER  35          1HB       SER  35   4.037  -3.051  -3.051
  225    HG   SER  35           HG       SER  35   2.273  -1.485  -1.485
  226    H    TYR  36           H        TYR  36   4.770  -1.628  -1.628
  227    HA   TYR  36           HA       TYR  36   5.771  -4.155  -4.155
  228   1HB   TYR  36          2HB       TYR  36   7.256  -3.071  -3.071
  229   2HB   TYR  36          1HB       TYR  36   7.860  -2.126  -2.126
  230    HD1  TYR  36           HD2      TYR  36   7.208  -4.445  -4.445
  231    HD2  TYR  36           HD1      TYR  36   9.407  -4.243  -4.243
  232    HE1  TYR  36           HE2      TYR  36   8.595  -6.371  -6.371
  233    HE2  TYR  36           HE1      TYR  36  10.793  -6.169  -6.169
  234    HH   TYR  36           HH       TYR  36  11.439  -7.142  -7.142
  235    H    TYR  37           H        TYR  37   7.959  -2.537  -2.537
  236    HA   TYR  37           HA       TYR  37   6.799  -0.357  -0.357
  237   1HB   TYR  37          2HB       TYR  37   5.350  -2.046  -2.046
  238   2HB   TYR  37          1HB       TYR  37   6.737  -3.066  -3.066
  239    HD1  TYR  37           HD2      TYR  37   6.464   0.637   0.637
  240    HD2  TYR  37           HD1      TYR  37   6.714  -3.137  -3.137
  241    HE1  TYR  37           HE2      TYR  37   6.755   1.821   1.821
  242    HE2  TYR  37           HE1      TYR  37   7.005  -1.954  -1.954
  243    HH   TYR  37           HH       TYR  37   6.369   0.373   0.373
  244    H    THR  38           H        THR  38   8.526  -2.804  -2.804
  245    HA   THR  38           HA       THR  38  10.948  -1.067  -1.067
  246    HB   THR  38           HB       THR  38   9.996  -1.410  -1.410
  247    HG1  THR  38           HG1      THR  38  12.293  -3.008  -3.008
  248   1HG2  THR  38          3HG2      THR  38   9.543  -4.013  -4.013
  249   2HG2  THR  38          2HG2      THR  38  10.753  -4.187  -4.187
  250   3HG2  THR  38          1HG2      THR  38   9.210  -3.409  -3.409
  251    H    ILE  39           H        ILE  39  13.011  -2.573  -2.573
  252    HA   ILE  39           HA       ILE  39  13.226  -4.331  -4.331
  253    HB   ILE  39           HB       ILE  39  15.087  -3.694  -3.694
  254   1HG1  ILE  39          2HG1      ILE  39  15.961  -3.143  -3.143
  255   2HG1  ILE  39          1HG1      ILE  39  14.427  -2.348  -2.348
  256   1HG2  ILE  39          1HG2      ILE  39  15.440  -5.577  -5.577
  257   2HG2  ILE  39          3HG2      ILE  39  16.803  -4.898  -4.898
  258   3HG2  ILE  39          2HG2      ILE  39  15.641  -5.938  -5.938
  259   1HD1  ILE  39          1HD1      ILE  39  15.426  -1.420  -1.420
  260   2HD1  ILE  39          3HD1      ILE  39  16.969  -2.151  -2.151
  261   3HD1  ILE  39          2HD1      ILE  39  16.277  -0.879  -0.879
  262    H    ILE  40           H        ILE  40  12.052  -4.786  -4.786
  263    HA   ILE  40           HA       ILE  40  12.191  -7.729  -7.729
  264    HB   ILE  40           HB       ILE  40  13.929  -6.643  -6.643
  265   1HG1  ILE  40          2HG1      ILE  40  13.886  -8.995  -8.995
  266   2HG1  ILE  40          1HG1      ILE  40  13.664  -8.772  -8.772
  267   1HG2  ILE  40          2HG2      ILE  40  11.783  -5.646  -5.646
  268   2HG2  ILE  40          1HG2      ILE  40  11.760  -7.235  -7.235
  269   3HG2  ILE  40          3HG2      ILE  40  13.176  -6.196  -6.196
  270   1HD1  ILE  40          1HD1      ILE  40  11.376  -9.115  -9.115
  271   2HD1  ILE  40          3HD1      ILE  40  12.079 -10.439 -10.439
  272   3HD1  ILE  40          2HD1      ILE  40  11.279  -9.106  -9.106
  273    H    ALA  41           H        ALA  41  10.021  -5.848  -5.848
  274    HA   ALA  41           HA       ALA  41   7.911  -7.248  -7.248
  275   1HB   ALA  41          1HB       ALA  41   9.102  -5.364  -5.364
  276   2HB   ALA  41          3HB       ALA  41   7.696  -4.514  -4.514
  277   3HB   ALA  41          2HB       ALA  41   7.489  -6.046  -6.046
  278    H    ASP  42           H        ASP  42   5.767  -6.292  -6.292
  279    HA   ASP  42           HA       ASP  42   5.954  -4.546  -4.546
  280   1HB   ASP  42          2HB       ASP  42   4.845  -7.090  -7.090
  281   2HB   ASP  42          1HB       ASP  42   3.449  -6.016  -6.016
  282    H    CYS  43           H        CYS  43   3.026  -4.208  -4.208
  283    HA   CYS  43           HA       CYS  43   2.457  -2.806  -2.806
  284   1HB   CYS  43          2HB       CYS  43   3.716  -1.262  -1.262
  285   2HB   CYS  43          1HB       CYS  43   2.175  -1.238  -1.238
  286    H    CYS  44           H        CYS  44   0.558  -3.900  -3.900
  287    HA   CYS  44           HA       CYS  44  -1.468  -3.889  -3.889
  288   1HB   CYS  44          2HB       CYS  44  -0.561  -5.987  -5.987
  289   2HB   CYS  44          1HB       CYS  44  -2.309  -5.763  -5.763
  290    H    ARG  45           H        ARG  45  -3.444  -2.960  -2.960
  291    HA   ARG  45           HA       ARG  45  -3.689  -1.605  -1.605
  292   1HB   ARG  45          2HB       ARG  45  -4.137  -0.615  -0.615
  293   2HB   ARG  45          1HB       ARG  45  -5.740  -1.290  -1.290
  294   1HG   ARG  45          2HG       ARG  45  -5.469  -0.093  -0.093
  295   2HG   ARG  45          1HG       ARG  45  -4.315   0.906   0.906
  296   1HD   ARG  45          2HD       ARG  45  -6.976   0.386   0.386
  297   2HD   ARG  45          1HD       ARG  45  -6.901   1.537   1.537
  298    HE   ARG  45           HE       ARG  45  -4.996   2.609   2.609
  299   1HH1  ARG  45          2HH1      ARG  45  -5.872   0.521   0.521
  300   2HH1  ARG  45          1HH1      ARG  45  -6.777   1.557   1.557
  301   1HH2  ARG  45          1HH2      ARG  45  -6.991   4.146   4.146
  302   2HH2  ARG  45          2HH2      ARG  45  -7.410   3.609   3.609
  303    H    LYS  46           H        LYS  46  -4.790  -2.666  -2.666
  304    HA   LYS  46           HA       LYS  46  -6.244  -5.046  -5.046
  305   1HB   LYS  46          2HB       LYS  46  -5.486  -3.813  -3.813
  306   2HB   LYS  46          1HB       LYS  46  -7.034  -2.973  -2.973
  307   1HG   LYS  46          2HG       LYS  46  -7.845  -5.540  -5.540
  308   2HG   LYS  46          1HG       LYS  46  -6.465  -5.800  -5.800
  309   1HD   LYS  46          2HD       LYS  46  -7.398  -4.167  -4.167
  310   2HD   LYS  46          1HD       LYS  46  -8.784  -3.920  -3.920
  311   1HE   LYS  46          2HE       LYS  46  -9.749  -5.905  -5.905
  312   2HE   LYS  46          1HE       LYS  46  -8.201  -6.741  -6.741
  313   1HZ   LYS  46          1HZ       LYS  46  -9.092  -4.740  -4.740
  314   2HZ   LYS  46          3HZ       LYS  46  -9.407  -6.399  -6.399
  315   3HZ   LYS  46          2HZ       LYS  46  -7.803  -5.840  -5.840
  316    H    LYS  47           H        LYS  47  -7.630  -4.900  -4.900
  317    HA   LYS  47           HA       LYS  47  -9.556  -4.266  -4.266
  318   1HB   LYS  47          2HB       LYS  47 -10.435  -4.424  -4.424
  319   2HB   LYS  47          1HB       LYS  47 -11.583  -4.052  -4.052
  320   1HG   LYS  47          2HG       LYS  47 -10.615  -6.152  -6.152
  321   2HG   LYS  47          1HG       LYS  47  -9.973  -6.565  -6.565
  322   1HD   LYS  47          2HD       LYS  47 -12.002  -7.539  -7.539
  323   2HD   LYS  47          1HD       LYS  47 -12.555  -5.890  -5.890
  324   1HE   LYS  47          2HE       LYS  47 -13.195  -5.649  -5.649
  325   2HE   LYS  47          1HE       LYS  47 -12.554  -7.251  -7.251
  326   1HZ   LYS  47          3HZ       LYS  47 -14.207  -7.802  -7.802
  327   2HZ   LYS  47          2HZ       LYS  47 -15.029  -6.497  -6.497
  328   3HZ   LYS  47          1HZ       LYS  47 -14.659  -7.878  -7.878
  329    H    LYS  48           H        LYS  48  -8.955  -2.219  -2.219
  330    HA   LYS  48           HA       LYS  48  -8.791   0.218   0.218
  331   1HB   LYS  48          2HB       LYS  48  -8.158   0.092   0.092
  332   2HB   LYS  48          1HB       LYS  48  -9.799  -0.350  -0.350
  333   1HG   LYS  48          2HG       LYS  48  -9.652   2.143   2.143
  334   2HG   LYS  48          1HG       LYS  48  -8.806   2.219   2.219
  335   1HD   LYS  48          2HD       LYS  48 -10.755   1.715   1.715
  336   2HD   LYS  48          1HD       LYS  48 -11.592   1.084   1.084
  337   1HE   LYS  48          2HE       LYS  48 -12.581   3.165   3.165
  338   2HE   LYS  48          1HE       LYS  48 -11.177   3.573   3.573
  339   1HZ   LYS  48          1HZ       LYS  48 -11.220   3.770   3.770
  340   2HZ   LYS  48          3HZ       LYS  48 -11.558   5.073   5.073
  341   3HZ   LYS  48          2HZ       LYS  48 -10.021   4.350   4.350
  342   1H    NH2  49          1HT       LYS  48 -10.333   1.414   1.414
  343   2H    NH2  49          2HT       LYS  48 -12.013   1.265   1.265

  Start of MODEL   10
    1   1H    ALA   1          2H        ALA   1   2.681  -2.798  -2.798
    2   2H    ALA   1          1H        ALA   1   4.039  -3.815  -3.815
    3   3H    ALA   1          3H        ALA   1   3.405  -3.124  -3.124
    4    HA   ALA   1           HA       ALA   1   4.666  -1.337  -1.337
    5   1HB   ALA   1          1HB       ALA   1   5.652  -3.175  -3.175
    6   2HB   ALA   1          3HB       ALA   1   6.143  -1.490  -1.490
    7   3HB   ALA   1          2HB       ALA   1   6.536  -2.375  -2.375
    8    H    ALA   2           H        ALA   2   3.845   0.636   0.636
    9    HA   ALA   2           HA       ALA   2   1.866   1.252   1.252
   10   1HB   ALA   2          3HB       ALA   2   2.854   2.811   2.811
   11   2HB   ALA   2          2HB       ALA   2   4.183   3.111   3.111
   12   3HB   ALA   2          1HB       ALA   2   2.536   3.566   3.566
   13    H    CYS   3           H        CYS   3   2.090   2.566   2.566
   14    HA   CYS   3           HA       CYS   3   4.494   2.423   2.423
   15   1HB   CYS   3          2HB       CYS   3   4.128   0.044   0.044
   16   2HB   CYS   3          1HB       CYS   3   2.417   0.265   0.265
   17    H    LYS   4           H        LYS   4   0.931   2.241   2.241
   18    HA   LYS   4           HA       LYS   4  -0.547   3.698   3.698
   19   1HB   LYS   4          2HB       LYS   4   1.792   5.291   5.291
   20   2HB   LYS   4          1HB       LYS   4   1.177   5.678   5.678
   21   1HG   LYS   4          2HG       LYS   4  -0.672   6.684   6.684
   22   2HG   LYS   4          1HG       LYS   4  -0.950   5.388   5.388
   23   1HD   LYS   4          2HD       LYS   4  -0.451   7.559   7.559
   24   2HD   LYS   4          1HD       LYS   4   0.749   6.323   6.323
   25   1HE   LYS   4          2HE       LYS   4   1.752   7.479   7.479
   26   2HE   LYS   4          1HE       LYS   4   1.078   8.854   8.854
   27   1HZ   LYS   4          2HZ       LYS   4   2.790   6.853   6.853
   28   2HZ   LYS   4          1HZ       LYS   4   3.457   8.183   8.183
   29   3HZ   LYS   4          3HZ       LYS   4   2.419   8.435   8.435
   30    H    CYS   5           H        CYS   5  -1.307   3.716   3.716
   31    HA   CYS   5           HA       CYS   5   0.526   2.508   2.508
   32   1HB   CYS   5          2HB       CYS   5  -2.452   2.841   2.841
   33   2HB   CYS   5          1HB       CYS   5  -1.385   1.662   1.662
   34    H    ASP   6           H        ASP   6  -0.021   3.300   3.300
   35    HA   ASP   6           HA       ASP   6   0.530   6.124   6.124
   36   1HB   ASP   6          2HB       ASP   6   0.468   3.911   3.911
   37   2HB   ASP   6          1HB       ASP   6  -0.470   5.236   5.236
   38    H    ASP   7           H        ASP   7  -2.380   4.341   4.341
   39    HA   ASP   7           HA       ASP   7  -4.086   6.342   6.342
   40   1HB   ASP   7          2HB       ASP   7  -5.931   4.979   4.979
   41   2HB   ASP   7          1HB       ASP   7  -4.900   4.083   4.083
   42    H    GLU   8           H        GLU   8  -2.603   5.947   5.947
   43    HA   GLU   8           HA       GLU   8  -4.315   8.153   8.153
   44   1HB   GLU   8          2HB       GLU   8  -3.133   5.862   5.862
   45   2HB   GLU   8          1HB       GLU   8  -4.136   7.167   7.167
   46   1HG   GLU   8          2HG       GLU   8  -5.480   5.965   5.965
   47   2HG   GLU   8          1HG       GLU   8  -5.001   4.697   4.697
   48    H    GLY   9           H        GLY   9  -1.754   8.305   8.305
   49   1HA   GLY   9          2HA       GLY   9   0.344   8.721   8.721
   50   2HA   GLY   9          1HA       GLY   9   0.414   9.193   9.193
   51    HA   PRO  10           HA       PRO  10  -0.217  13.351  13.351
   52   1HB   PRO  10          2HB       PRO  10  -0.867  14.398  14.398
   53   2HB   PRO  10          1HB       PRO  10   0.776  13.916  13.916
   54   1HG   PRO  10          2HG       PRO  10  -1.148  12.573  12.573
   55   2HG   PRO  10          1HG       PRO  10   0.620  12.529  12.529
   56   1HD   PRO  10          2HD       PRO  10  -1.108  10.509  10.509
   57   2HD   PRO  10          1HD       PRO  10   0.650  10.608  10.608
   58    H    ASP  11           H        ASP  11  -2.342  12.227  12.227
   59    HA   ASP  11           HA       ASP  11  -4.826  12.932  12.932
   60   1HB   ASP  11          2HB       ASP  11  -4.105  11.536  11.536
   61   2HB   ASP  11          1HB       ASP  11  -5.715  12.245  12.245
   62    H    ILE  12           H        ILE  12  -4.820  15.208  15.208
   63    HA   ILE  12           HA       ILE  12  -5.051  17.411  17.411
   64    HB   ILE  12           HB       ILE  12  -6.396  15.820  15.820
   65   1HG1  ILE  12          2HG1      ILE  12  -7.449  15.854  15.854
   66   2HG1  ILE  12          1HG1      ILE  12  -8.425  16.765  16.765
   67   1HG2  ILE  12          2HG2      ILE  12  -5.578  18.593  18.593
   68   2HG2  ILE  12          1HG2      ILE  12  -7.336  18.459  18.459
   69   3HG2  ILE  12          3HG2      ILE  12  -6.364  17.625  17.625
   70   1HD1  ILE  12          1HD1      ILE  12  -7.115  18.836  18.836
   71   2HD1  ILE  12          3HD1      ILE  12  -6.588  17.833  17.833
   72   3HD1  ILE  12          2HD1      ILE  12  -8.305  18.166  18.166
   73    H    ARG  13           H        ARG  13  -4.829  16.272  16.272
   74    HA   ARG  13           HA       ARG  13  -2.480  17.979  17.979
   75   1HB   ARG  13          2HB       ARG  13  -4.152  16.239  16.239
   76   2HB   ARG  13          1HB       ARG  13  -2.724  17.112  17.112
   77   1HG   ARG  13          2HG       ARG  13  -5.115  18.397  18.397
   78   2HG   ARG  13          1HG       ARG  13  -4.822  18.397  18.397
   79   1HD   ARG  13          2HD       ARG  13  -3.064  19.642  19.642
   80   2HD   ARG  13          1HD       ARG  13  -4.009  20.496  20.496
   81    HE   ARG  13           HE       ARG  13  -1.502  18.994  18.994
   82   1HH1  ARG  13          2HH1      ARG  13  -3.848  18.866  18.866
   83   2HH1  ARG  13          1HH1      ARG  13  -3.303  20.069  20.069
   84   1HH2  ARG  13          1HH2      ARG  13  -0.936  21.391  21.391
   85   2HH2  ARG  13          2HH2      ARG  13  -1.655  21.499  21.499
   86    H    THR  14           H        THR  14  -3.116  14.574  14.574
   87    HA   THR  14           HA       THR  14  -0.498  13.806  13.806
   88    HB   THR  14           HB       THR  14   0.394  14.210  14.210
   89    HG1  THR  14           HG1      THR  14  -0.105  12.086  12.086
   90   1HG2  THR  14          1HG2      THR  14  -2.425  13.800  13.800
   91   2HG2  THR  14          3HG2      THR  14  -1.133  13.552  13.552
   92   3HG2  THR  14          2HG2      THR  14  -1.307  15.113  15.113
   93    H    ALA  15           H        ALA  15  -2.152  11.966  11.966
   94    HA   ALA  15           HA       ALA  15  -4.036  10.507  10.507
   95   1HB   ALA  15          2HB       ALA  15  -1.226   9.699   9.699
   96   2HB   ALA  15          1HB       ALA  15  -2.440   8.430   8.430
   97   3HB   ALA  15          3HB       ALA  15  -2.653   9.704   9.704
   98    HA   PRO  16           HA       PRO  16  -4.071   8.593   8.593
   99   1HB   PRO  16          2HB       PRO  16  -6.027   6.758   6.758
  100   2HB   PRO  16          1HB       PRO  16  -6.347   8.484   8.484
  101   1HG   PRO  16          2HG       PRO  16  -6.359   6.874   6.874
  102   2HG   PRO  16          1HG       PRO  16  -7.228   8.368   8.368
  103   1HD   PRO  16          2HD       PRO  16  -4.871   8.137   8.137
  104   2HD   PRO  16          1HD       PRO  16  -5.601   9.647   9.647
  105    H    LEU  17           H        LEU  17  -2.533   7.316   7.316
  106    HA   LEU  17           HA       LEU  17  -1.146   5.463   5.463
  107   1HB   LEU  17          2HB       LEU  17  -1.654   5.602   5.602
  108   2HB   LEU  17          1HB       LEU  17  -1.132   4.027   4.027
  109    HG   LEU  17           HG       LEU  17   0.794   5.117   5.117
  110   1HD1  LEU  17          1HD1      LEU  17  -0.580   7.386   7.386
  111   2HD1  LEU  17          3HD1      LEU  17   0.258   7.612   7.612
  112   3HD1  LEU  17          2HD1      LEU  17   1.183   7.404   7.404
  113   1HD2  LEU  17          3HD2      LEU  17   0.813   4.262   4.262
  114   2HD2  LEU  17          2HD2      LEU  17   2.103   5.371   5.371
  115   3HD2  LEU  17          1HD2      LEU  17   0.727   5.959   5.959
  116    H    THR  18           H        THR  18  -2.954   4.715   4.715
  117    HA   THR  18           HA       THR  18  -4.642   2.580   2.580
  118    HB   THR  18           HB       THR  18  -5.967   2.719   2.719
  119    HG1  THR  18           HG1      THR  18  -3.589   3.691   3.691
  120   1HG2  THR  18          1HG2      THR  18  -5.551   4.926   4.926
  121   2HG2  THR  18          3HG2      THR  18  -5.108   5.557   5.557
  122   3HG2  THR  18          2HG2      THR  18  -6.712   4.871   4.871
  123    H    GLY  19           H        GLY  19  -1.593   2.594   2.594
  124   1HA   GLY  19          2HA       GLY  19  -1.733   0.123   0.123
  125   2HA   GLY  19          1HA       GLY  19  -0.334   1.196   1.196
  126    H    THR  20           H        THR  20  -0.478  -1.708  -1.708
  127    HA   THR  20           HA       THR  20   0.731  -1.558  -1.558
  128    HB   THR  20           HB       THR  20  -0.955  -3.943  -3.943
  129    HG1  THR  20           HG1      THR  20  -1.882  -1.360  -1.360
  130   1HG2  THR  20          1HG2      THR  20  -0.141  -2.375  -2.375
  131   2HG2  THR  20          3HG2      THR  20  -1.398  -3.611  -3.611
  132   3HG2  THR  20          2HG2      THR  20   0.247  -4.048  -4.048
  133    H    VAL  21           H        VAL  21   2.573  -2.797  -2.797
  134    HA   VAL  21           HA       VAL  21   3.724  -3.908  -3.908
  135    HB   VAL  21           HB       VAL  21   4.483  -4.079  -4.079
  136   1HG1  VAL  21          2HG1      VAL  21   5.486  -5.595  -5.595
  137   2HG1  VAL  21          1HG1      VAL  21   6.735  -4.798  -4.798
  138   3HG1  VAL  21          3HG1      VAL  21   5.637  -5.947  -5.947
  139   1HG2  VAL  21          3HG2      VAL  21   5.077  -2.326  -2.326
  140   2HG2  VAL  21          2HG2      VAL  21   5.185  -1.990  -1.990
  141   3HG2  VAL  21          1HG2      VAL  21   6.499  -2.836  -2.836
  142    H    ASP  22           H        ASP  22   3.856  -6.047  -6.047
  143    HA   ASP  22           HA       ASP  22   2.593  -8.124  -8.124
  144   1HB   ASP  22          2HB       ASP  22   1.407  -6.996  -6.996
  145   2HB   ASP  22          1HB       ASP  22   1.915  -8.637  -8.637
  146    H    LEU  23           H        LEU  23   4.985  -8.564  -8.564
  147    HA   LEU  23           HA       LEU  23   6.784  -9.240  -9.240
  148   1HB   LEU  23          2HB       LEU  23   6.337 -10.091 -10.091
  149   2HB   LEU  23          1HB       LEU  23   7.163 -11.306 -11.306
  150    HG   LEU  23           HG       LEU  23   8.882  -9.732  -9.732
  151   1HD1  LEU  23          2HD1      LEU  23   7.196  -7.696  -7.696
  152   2HD1  LEU  23          1HD1      LEU  23   8.819  -7.390  -7.390
  153   3HD1  LEU  23          3HD1      LEU  23   7.499  -7.735  -7.735
  154   1HD2  LEU  23          1HD2      LEU  23   8.371 -10.527 -10.527
  155   2HD2  LEU  23          3HD2      LEU  23   9.927 -10.077 -10.077
  156   3HD2  LEU  23          2HD2      LEU  23   8.925  -8.855  -8.855
  157    H    GLY  24           H        GLY  24   6.115 -10.279 -10.279
  158   1HA   GLY  24          2HA       GLY  24   6.033 -12.680 -12.680
  159   2HA   GLY  24          1HA       GLY  24   4.743 -12.916 -12.916
  160    H    SER  25           H        SER  25   2.960 -11.062 -11.062
  161    HA   SER  25           HA       SER  25   2.377  -9.765  -9.765
  162   1HB   SER  25          2HB       SER  25   2.571 -11.649 -11.649
  163   2HB   SER  25          1HB       SER  25   1.873 -12.727 -12.727
  164    HG   SER  25           HG       SER  25   0.477 -12.092 -12.092
  165    H    CYS  26           H        CYS  26  -0.001  -9.344  -9.344
  166    HA   CYS  26           HA       CYS  26  -1.278  -8.838  -8.838
  167   1HB   CYS  26          2HB       CYS  26  -2.750  -9.347  -9.347
  168   2HB   CYS  26          1HB       CYS  26  -3.230  -8.284  -8.284
  169    H    ASN  27           H        ASN  27  -1.852 -10.382 -10.382
  170    HA   ASN  27           HA       ASN  27  -2.374 -13.124 -13.124
  171   1HB   ASN  27          2HB       ASN  27  -2.344 -11.501 -11.501
  172   2HB   ASN  27          1HB       ASN  27  -3.510 -12.825 -12.825
  173   1HD2  ASN  27          2HD2      ASN  27  -0.840 -15.306 -15.306
  174   2HD2  ASN  27          1HD2      ASN  27  -2.349 -14.918 -14.918
  175    H    ALA  28           H        ALA  28  -4.532 -14.186 -14.186
  176    HA   ALA  28           HA       ALA  28  -6.628 -13.307 -13.307
  177   1HB   ALA  28          1HB       ALA  28  -6.860 -14.825 -14.825
  178   2HB   ALA  28          3HB       ALA  28  -8.106 -14.742 -14.742
  179   3HB   ALA  28          2HB       ALA  28  -6.572 -15.544 -15.544
  180    H    GLY  29           H        GLY  29  -7.965 -11.571 -11.571
  181   1HA   GLY  29          2HA       GLY  29  -9.556 -10.183 -10.183
  182   2HA   GLY  29          1HA       GLY  29  -8.602 -10.442 -10.442
  183    H    TRP  30           H        TRP  30  -6.567  -9.902  -9.902
  184    HA   TRP  30           HA       TRP  30  -6.459  -6.971  -6.971
  185   1HB   TRP  30          2HB       TRP  30  -4.218  -8.992  -8.992
  186   2HB   TRP  30          1HB       TRP  30  -3.916  -7.277  -7.277
  187    HD1  TRP  30           HD1      TRP  30  -5.487  -9.591  -9.591
  188    HE1  TRP  30           HE1      TRP  30  -5.174  -8.488  -8.488
  189    HE3  TRP  30           HE3      TRP  30  -3.350  -5.171  -5.171
  190    HZ2  TRP  30           HZ2      TRP  30  -4.152  -6.054  -6.054
  191    HZ3  TRP  30           HZ3      TRP  30  -2.717  -3.482  -3.482
  192    HH2  TRP  30           HH2      TRP  30  -3.116  -3.917  -3.917
  193    H    GLU  31           H        GLU  31  -5.335  -5.749  -5.749
  194    HA   GLU  31           HA       GLU  31  -5.341  -7.148  -7.148
  195   1HB   GLU  31          2HB       GLU  31  -7.591  -6.169  -6.169
  196   2HB   GLU  31          1HB       GLU  31  -6.875  -4.592  -4.592
  197   1HG   GLU  31          2HG       GLU  31  -7.569  -4.799  -4.799
  198   2HG   GLU  31          1HG       GLU  31  -5.828  -4.564  -4.564
  199    H    LYS  32           H        LYS  32  -3.277  -6.774  -6.774
  200    HA   LYS  32           HA       LYS  32  -1.453  -4.888  -4.888
  201   1HB   LYS  32          2HB       LYS  32  -1.410  -6.759  -6.759
  202   2HB   LYS  32          1HB       LYS  32  -1.478  -5.298  -5.298
  203   1HG   LYS  32          2HG       LYS  32   0.689  -4.866  -4.866
  204   2HG   LYS  32          1HG       LYS  32   0.387  -4.903  -4.903
  205   1HD   LYS  32          2HD       LYS  32   1.613  -6.795  -6.795
  206   2HD   LYS  32          1HD       LYS  32   0.285  -7.587  -7.587
  207   1HE   LYS  32          2HE       LYS  32   1.586  -6.295  -6.295
  208   2HE   LYS  32          1HE       LYS  32   2.926  -6.762  -6.762
  209   1HZ   LYS  32          3HZ       LYS  32   1.173  -8.916  -8.916
  210   2HZ   LYS  32          2HZ       LYS  32   1.388  -8.381  -8.381
  211   3HZ   LYS  32          1HZ       LYS  32   2.733  -8.813  -8.813
  212    H    CYS  33           H        CYS  33  -1.150  -2.699  -2.699
  213    HA   CYS  33           HA       CYS  33  -2.949  -1.293  -1.293
  214   1HB   CYS  33          2HB       CYS  33  -2.937   0.585   0.585
  215   2HB   CYS  33          1HB       CYS  33  -3.941  -0.827  -0.827
  216    H    ALA  34           H        ALA  34   0.192  -1.950  -1.950
  217    HA   ALA  34           HA       ALA  34   1.143   0.460   0.460
  218   1HB   ALA  34          2HB       ALA  34   1.348   0.548   0.548
  219   2HB   ALA  34          1HB       ALA  34   2.718  -0.527  -0.527
  220   3HB   ALA  34          3HB       ALA  34   2.694   1.077   1.077
  221    H    SER  35           H        SER  35   2.299  -0.297  -0.297
  222    HA   SER  35           HA       SER  35   3.056  -2.954  -2.954
  223   1HB   SER  35          2HB       SER  35   3.132  -1.173  -1.173
  224   2HB   SER  35          1HB       SER  35   4.536  -0.472  -0.472
  225    HG   SER  35           HG       SER  35   5.421  -2.718  -2.718
  226    H    TYR  36           H        TYR  36   3.981  -3.903  -3.903
  227    HA   TYR  36           HA       TYR  36   5.863  -4.635  -4.635
  228   1HB   TYR  36          2HB       TYR  36   7.044  -3.601  -3.601
  229   2HB   TYR  36          1HB       TYR  36   7.599  -2.427  -2.427
  230    HD1  TYR  36           HD1      TYR  36   7.429  -4.556  -4.556
  231    HD2  TYR  36           HD2      TYR  36   9.319  -4.494  -4.494
  232    HE1  TYR  36           HE1      TYR  36   9.124  -6.176  -6.176
  233    HE2  TYR  36           HE2      TYR  36  11.014  -6.115  -6.115
  234    HH   TYR  36           HH       TYR  36  10.671  -7.972  -7.972
  235    H    TYR  37           H        TYR  37   7.890  -2.591  -2.591
  236    HA   TYR  37           HA       TYR  37   6.684  -0.378  -0.378
  237   1HB   TYR  37          2HB       TYR  37   5.218  -1.939  -1.939
  238   2HB   TYR  37          1HB       TYR  37   6.598  -2.914  -2.914
  239    HD1  TYR  37           HD1      TYR  37   6.613   0.781   0.781
  240    HD2  TYR  37           HD2      TYR  37   6.266  -2.708  -2.708
  241    HE1  TYR  37           HE1      TYR  37   6.880   2.191   2.191
  242    HE2  TYR  37           HE2      TYR  37   6.533  -1.299  -1.299
  243    HH   TYR  37           HH       TYR  37   6.510   0.841   0.841
  244    H    THR  38           H        THR  38   8.380  -2.595  -2.595
  245    HA   THR  38           HA       THR  38  10.795  -0.870  -0.870
  246    HB   THR  38           HB       THR  38   9.826  -1.033  -1.033
  247    HG1  THR  38           HG1      THR  38  11.956  -0.792  -0.792
  248   1HG2  THR  38          3HG2      THR  38   9.382  -3.699  -3.699
  249   2HG2  THR  38          2HG2      THR  38  10.611  -3.776  -3.776
  250   3HG2  THR  38          1HG2      THR  38   9.071  -2.976  -2.976
  251    H    ILE  39           H        ILE  39  12.863  -2.333  -2.333
  252    HA   ILE  39           HA       ILE  39  13.143  -4.217  -4.217
  253    HB   ILE  39           HB       ILE  39  14.903  -3.487  -3.487
  254   1HG1  ILE  39          2HG1      ILE  39  14.566  -1.870  -1.870
  255   2HG1  ILE  39          1HG1      ILE  39  16.239  -2.392  -2.392
  256   1HG2  ILE  39          1HG2      ILE  39  15.117  -5.708  -5.708
  257   2HG2  ILE  39          3HG2      ILE  39  16.588  -4.794  -4.794
  258   3HG2  ILE  39          2HG2      ILE  39  15.735  -5.606  -5.606
  259   1HD1  ILE  39          1HD1      ILE  39  14.721  -4.179  -4.179
  260   2HD1  ILE  39          3HD1      ILE  39  14.787  -2.527  -2.527
  261   3HD1  ILE  39          2HD1      ILE  39  16.280  -3.402  -3.402
  262    H    ILE  40           H        ILE  40  11.873  -4.530  -4.530
  263    HA   ILE  40           HA       ILE  40  11.929  -7.483  -7.483
  264    HB   ILE  40           HB       ILE  40  13.715  -6.417  -6.417
  265   1HG1  ILE  40          2HG1      ILE  40  13.245  -8.844  -8.844
  266   2HG1  ILE  40          1HG1      ILE  40  13.718  -8.505  -8.505
  267   1HG2  ILE  40          3HG2      ILE  40  11.460  -5.451  -5.451
  268   2HG2  ILE  40          2HG2      ILE  40  11.721  -6.941  -6.941
  269   3HG2  ILE  40          1HG2      ILE  40  12.992  -5.722  -5.722
  270   1HD1  ILE  40          1HD1      ILE  40  11.210  -8.343  -8.343
  271   2HD1  ILE  40          3HD1      ILE  40  10.951  -9.077  -9.077
  272   3HD1  ILE  40          2HD1      ILE  40  11.842  -9.955  -9.955
  273    H    ALA  41           H        ALA  41   9.797  -5.579  -5.579
  274    HA   ALA  41           HA       ALA  41   7.702  -6.887  -6.887
  275   1HB   ALA  41          2HB       ALA  41   8.913  -4.835  -4.835
  276   2HB   ALA  41          1HB       ALA  41   7.488  -4.065  -4.065
  277   3HB   ALA  41          3HB       ALA  41   7.311  -5.503  -5.503
  278    H    ASP  42           H        ASP  42   5.548  -6.013  -6.013
  279    HA   ASP  42           HA       ASP  42   5.613  -4.357  -4.357
  280   1HB   ASP  42          2HB       ASP  42   4.345  -6.986  -6.986
  281   2HB   ASP  42          1HB       ASP  42   3.373  -5.832  -5.832
  282    H    CYS  43           H        CYS  43   3.670  -3.042  -3.042
  283    HA   CYS  43           HA       CYS  43   2.479  -2.242  -2.242
  284   1HB   CYS  43          2HB       CYS  43   3.439  -0.727  -0.727
  285   2HB   CYS  43          1HB       CYS  43   1.738  -0.809  -0.809
  286    H    CYS  44           H        CYS  44   0.883  -3.788  -3.788
  287    HA   CYS  44           HA       CYS  44  -1.117  -4.297  -4.297
  288   1HB   CYS  44          2HB       CYS  44  -0.421  -5.677  -5.677
  289   2HB   CYS  44          1HB       CYS  44  -1.947  -6.001  -6.001
  290    H    ARG  45           H        ARG  45  -3.272  -3.691  -3.691
  291    HA   ARG  45           HA       ARG  45  -3.843  -1.927  -1.927
  292   1HB   ARG  45          2HB       ARG  45  -4.322  -1.667  -1.667
  293   2HB   ARG  45          1HB       ARG  45  -5.865  -1.665  -1.665
  294   1HG   ARG  45          2HG       ARG  45  -3.674  -0.040  -0.040
  295   2HG   ARG  45          1HG       ARG  45  -4.391   0.566   0.566
  296   1HD   ARG  45          2HD       ARG  45  -5.492   1.333   1.333
  297   2HD   ARG  45          1HD       ARG  45  -6.565   0.665   0.665
  298    HE   ARG  45           HE       ARG  45  -6.567  -1.458  -1.458
  299   1HH1  ARG  45          1HH2      ARG  45  -4.368  -1.353  -1.353
  300   2HH1  ARG  45          2HH2      ARG  45  -5.023  -0.687  -0.687
  301   1HH2  ARG  45          2HH1      ARG  45  -7.849   0.601   0.601
  302   2HH2  ARG  45          1HH1      ARG  45  -6.993   0.419   0.419
  303    H    LYS  46           H        LYS  46  -4.860  -3.147  -3.147
  304    HA   LYS  46           HA       LYS  46  -6.270  -5.534  -5.534
  305   1HB   LYS  46          2HB       LYS  46  -5.670  -4.457  -4.457
  306   2HB   LYS  46          1HB       LYS  46  -7.024  -3.350  -3.350
  307   1HG   LYS  46          2HG       LYS  46  -8.405  -5.555  -5.555
  308   2HG   LYS  46          1HG       LYS  46  -7.068  -6.311  -6.311
  309   1HD   LYS  46          2HD       LYS  46  -7.385  -4.796  -4.796
  310   2HD   LYS  46          1HD       LYS  46  -8.652  -3.934  -3.934
  311   1HE   LYS  46          2HE       LYS  46  -9.168  -6.798  -6.798
  312   2HE   LYS  46          1HE       LYS  46  -9.013  -6.131  -6.131
  313   1HZ   LYS  46          2HZ       LYS  46 -10.521  -4.271  -4.271
  314   2HZ   LYS  46          1HZ       LYS  46 -10.969  -5.503  -5.503
  315   3HZ   LYS  46          3HZ       LYS  46 -11.201  -5.713  -5.713
  316    H    LYS  47           H        LYS  47  -7.590  -5.500  -5.500
  317    HA   LYS  47           HA       LYS  47  -9.462  -4.938  -4.938
  318   1HB   LYS  47          2HB       LYS  47 -10.331  -5.282  -5.282
  319   2HB   LYS  47          1HB       LYS  47 -11.490  -4.486  -4.486
  320   1HG   LYS  47          2HG       LYS  47 -11.602  -6.336  -6.336
  321   2HG   LYS  47          1HG       LYS  47 -10.103  -7.028  -7.028
  322   1HD   LYS  47          2HD       LYS  47 -11.218  -8.173  -8.173
  323   2HD   LYS  47          1HD       LYS  47 -12.019  -6.705  -6.705
  324   1HE   LYS  47          2HE       LYS  47 -13.030  -7.721  -7.721
  325   2HE   LYS  47          1HE       LYS  47 -13.302  -8.807  -8.807
  326   1HZ   LYS  47          3HZ       LYS  47 -13.881  -5.946  -5.946
  327   2HZ   LYS  47          2HZ       LYS  47 -14.989  -6.922  -6.922
  328   3HZ   LYS  47          1HZ       LYS  47 -14.593  -7.280  -7.280
  329    H    LYS  48           H        LYS  48  -8.209  -2.811  -2.811
  330    HA   LYS  48           HA       LYS  48  -8.199  -0.465  -0.465
  331   1HB   LYS  48          2HB       LYS  48 -10.918  -1.440  -1.440
  332   2HB   LYS  48          1HB       LYS  48 -10.905   0.184   0.184
  333   1HG   LYS  48          2HG       LYS  48 -10.808   0.702   0.702
  334   2HG   LYS  48          1HG       LYS  48  -9.086   0.603   0.603
  335   1HD   LYS  48          2HD       LYS  48  -8.885  -1.024  -1.024
  336   2HD   LYS  48          1HD       LYS  48  -9.945  -2.040  -2.040
  337   1HE   LYS  48          2HE       LYS  48 -10.940   0.015   0.015
  338   2HE   LYS  48          1HE       LYS  48 -10.767  -1.703  -1.703
  339   1HZ   LYS  48          2HZ       LYS  48 -12.233  -1.019  -1.019
  340   2HZ   LYS  48          1HZ       LYS  48 -12.997  -0.648  -0.648
  341   3HZ   LYS  48          3HZ       LYS  48 -12.525  -2.243  -2.243
  342   1H    NH2  49          1HT       LYS  48  -9.688   1.536   1.536
  343   2H    NH2  49          2HT       LYS  48  -9.466   1.429   1.429

  Start of MODEL   11
    1   1H    ALA   1          2H        ALA   1   2.816  -3.030  -3.030
    2   2H    ALA   1          1H        ALA   1   4.183  -3.854  -3.854
    3   3H    ALA   1          3H        ALA   1   3.960  -3.657  -3.657
    4    HA   ALA   1           HA       ALA   1   4.763  -1.579  -1.579
    5   1HB   ALA   1          2HB       ALA   1   6.003  -3.184  -3.184
    6   2HB   ALA   1          1HB       ALA   1   5.960  -1.522  -1.522
    7   3HB   ALA   1          3HB       ALA   1   6.726  -1.891  -1.891
    8    H    ALA   2           H        ALA   2   4.162   0.522   0.522
    9    HA   ALA   2           HA       ALA   2   1.858   1.128   1.128
   10   1HB   ALA   2          3HB       ALA   2   3.246   2.568   2.568
   11   2HB   ALA   2          2HB       ALA   2   4.053   3.164   3.164
   12   3HB   ALA   2          1HB       ALA   2   2.312   3.376   3.376
   13    H    CYS   3           H        CYS   3   1.897   2.729   2.729
   14    HA   CYS   3           HA       CYS   3   4.086   2.661   2.661
   15   1HB   CYS   3          2HB       CYS   3   3.610   0.308   0.308
   16   2HB   CYS   3          1HB       CYS   3   1.882   0.623   0.623
   17    H    LYS   4           H        LYS   4   0.582   2.864   2.864
   18    HA   LYS   4           HA       LYS   4  -0.918   4.513   4.513
   19   1HB   LYS   4          2HB       LYS   4   1.615   5.782   5.782
   20   2HB   LYS   4          1HB       LYS   4   0.841   6.162   6.162
   21   1HG   LYS   4          2HG       LYS   4  -0.961   7.236   7.236
   22   2HG   LYS   4          1HG       LYS   4  -0.751   6.367   6.367
   23   1HD   LYS   4          2HD       LYS   4  -0.003   8.623   8.623
   24   2HD   LYS   4          1HD       LYS   4   1.438   7.610   7.610
   25   1HE   LYS   4          2HE       LYS   4   1.651   9.713   9.713
   26   2HE   LYS   4          1HE       LYS   4   1.819   8.255   8.255
   27   1HZ   LYS   4          1HZ       LYS   4  -0.900   9.093   9.093
   28   2HZ   LYS   4          3HZ       LYS   4   0.073  10.307  10.307
   29   3HZ   LYS   4          2HZ       LYS   4   0.018   8.769   8.769
   30    H    CYS   5           H        CYS   5  -2.260   4.114   4.114
   31    HA   CYS   5           HA       CYS   5  -1.738   2.471   2.471
   32   1HB   CYS   5          2HB       CYS   5  -3.834   4.240   4.240
   33   2HB   CYS   5          1HB       CYS   5  -3.472   4.560   4.560
   34    H    ASP   6           H        ASP   6  -0.925   2.750   2.750
   35    HA   ASP   6           HA       ASP   6   1.126   4.657   4.657
   36   1HB   ASP   6          2HB       ASP   6   0.835   2.526   2.526
   37   2HB   ASP   6          1HB       ASP   6  -0.505   3.284   3.284
   38    H    ASP   7           H        ASP   7  -2.298   4.978   4.978
   39    HA   ASP   7           HA       ASP   7  -1.924   7.781   7.781
   40   1HB   ASP   7          2HB       ASP   7  -2.795   5.743   5.743
   41   2HB   ASP   7          1HB       ASP   7  -4.226   6.687   6.687
   42    H    GLU   8           H        GLU   8  -2.486   7.615   7.615
   43    HA   GLU   8           HA       GLU   8  -5.455   7.866   7.866
   44   1HB   GLU   8          2HB       GLU   8  -3.622   6.111   6.111
   45   2HB   GLU   8          1HB       GLU   8  -4.694   7.070   7.070
   46   1HG   GLU   8          2HG       GLU   8  -5.671   5.459   5.459
   47   2HG   GLU   8          1HG       GLU   8  -5.637   4.829   4.829
   48    H    GLY   9           H        GLY   9  -3.108   9.787   9.787
   49   1HA   GLY   9          2HA       GLY   9  -3.862  12.040  12.040
   50   2HA   GLY   9          1HA       GLY   9  -3.210  11.186  11.186
   51    HA   PRO  10           HA       PRO  10   0.228  13.244  13.244
   52   1HB   PRO  10          2HB       PRO  10   0.387  15.636  15.636
   53   2HB   PRO  10          1HB       PRO  10  -0.624  15.380  15.380
   54   1HG   PRO  10          2HG       PRO  10  -1.422  15.647  15.647
   55   2HG   PRO  10          1HG       PRO  10  -2.338  16.023  16.023
   56   1HD   PRO  10          2HD       PRO  10  -2.642  13.715  13.715
   57   2HD   PRO  10          1HD       PRO  10  -3.340  13.965  13.965
   58    H    ASP  11           H        ASP  11   0.216  14.742  14.742
   59    HA   ASP  11           HA       ASP  11   2.728  13.318  13.318
   60   1HB   ASP  11          2HB       ASP  11   2.691  14.854  14.854
   61   2HB   ASP  11          1HB       ASP  11   2.758  15.678  15.678
   62    H    ILE  12           H        ILE  12   2.913  12.530  12.530
   63    HA   ILE  12           HA       ILE  12   0.604  10.760  10.760
   64    HB   ILE  12           HB       ILE  12   3.016   9.956   9.956
   65   1HG1  ILE  12          2HG1      ILE  12   1.678   9.558   9.558
   66   2HG1  ILE  12          1HG1      ILE  12   0.973   8.898   8.898
   67   1HG2  ILE  12          2HG2      ILE  12   3.279  12.159  12.159
   68   2HG2  ILE  12          1HG2      ILE  12   3.480  10.721  10.721
   69   3HG2  ILE  12          3HG2      ILE  12   4.515  10.968  10.968
   70   1HD1  ILE  12          1HD1      ILE  12   3.870   8.411   8.411
   71   2HD1  ILE  12          3HD1      ILE  12   2.603   7.393   7.393
   72   3HD1  ILE  12          2HD1      ILE  12   2.814   7.484   7.484
   73    H    ARG  13           H        ARG  13   0.852  13.803  13.803
   74    HA   ARG  13           HA       ARG  13   0.506  13.756  13.756
   75   1HB   ARG  13          2HB       ARG  13   0.366  16.040  16.040
   76   2HB   ARG  13          1HB       ARG  13   0.287  16.216  16.216
   77   1HG   ARG  13          2HG       ARG  13   2.576  14.610  14.610
   78   2HG   ARG  13          1HG       ARG  13   2.609  16.243  16.243
   79   1HD   ARG  13          2HD       ARG  13   2.716  17.245  17.245
   80   2HD   ARG  13          1HD       ARG  13   1.947  15.877  15.877
   81    HE   ARG  13           HE       ARG  13   4.189  14.664  14.664
   82   1HH1  ARG  13          2HH1      ARG  13   3.627  17.604  17.604
   83   2HH1  ARG  13          1HH1      ARG  13   5.299  18.020  18.020
   84   1HH2  ARG  13          1HH2      ARG  13   6.438  15.373  15.373
   85   2HH2  ARG  13          2HH2      ARG  13   6.890  16.755  16.755
   86    H    THR  14           H        THR  14  -1.403  13.803  13.803
   87    HA   THR  14           HA       THR  14  -3.853  14.028  14.028
   88    HB   THR  14           HB       THR  14  -3.616  16.073  16.073
   89    HG1  THR  14           HG1      THR  14  -5.678  15.883  15.883
   90   1HG2  THR  14          3HG2      THR  14  -2.831  14.119  14.119
   91   2HG2  THR  14          2HG2      THR  14  -3.974  15.325  15.325
   92   3HG2  THR  14          1HG2      THR  14  -2.444  15.836  15.836
   93    H    ALA  15           H        ALA  15  -2.479  11.604  11.604
   94    HA   ALA  15           HA       ALA  15  -4.502  10.434  10.434
   95   1HB   ALA  15          3HB       ALA  15  -2.061  10.518  10.518
   96   2HB   ALA  15          2HB       ALA  15  -1.728   9.322   9.322
   97   3HB   ALA  15          1HB       ALA  15  -2.852   8.942   8.942
   98    HA   PRO  16           HA       PRO  16  -5.498   7.771   7.771
   99   1HB   PRO  16          2HB       PRO  16  -6.949   5.950   5.950
  100   2HB   PRO  16          1HB       PRO  16  -7.539   7.574   7.574
  101   1HG   PRO  16          2HG       PRO  16  -6.594   6.490   6.490
  102   2HG   PRO  16          1HG       PRO  16  -7.707   7.826   7.826
  103   1HD   PRO  16          2HD       PRO  16  -4.963   8.040   8.040
  104   2HD   PRO  16          1HD       PRO  16  -6.025   9.362   9.362
  105    H    LEU  17           H        LEU  17  -3.013   7.189   7.189
  106    HA   LEU  17           HA       LEU  17  -1.540   5.408   5.408
  107   1HB   LEU  17          2HB       LEU  17  -2.403   5.423   5.423
  108   2HB   LEU  17          1HB       LEU  17  -1.763   3.866   3.866
  109    HG   LEU  17           HG       LEU  17   0.243   5.051   5.051
  110   1HD1  LEU  17          2HD1      LEU  17  -1.407   7.325   7.325
  111   2HD1  LEU  17          1HD1      LEU  17   0.005   7.461   7.461
  112   3HD1  LEU  17          3HD1      LEU  17   0.213   7.290   7.290
  113   1HD2  LEU  17          1HD2      LEU  17  -0.280   4.277   4.277
  114   2HD2  LEU  17          3HD2      LEU  17   1.292   4.858   4.858
  115   3HD2  LEU  17          2HD2      LEU  17   0.172   5.964   5.964
  116    H    THR  18           H        THR  18  -3.491   4.756   4.756
  117    HA   THR  18           HA       THR  18  -4.792   2.242   2.242
  118    HB   THR  18           HB       THR  18  -5.744   2.356   2.356
  119    HG1  THR  18           HG1      THR  18  -5.439   4.710   4.710
  120   1HG2  THR  18          3HG2      THR  18  -6.104   4.499   4.499
  121   2HG2  THR  18          2HG2      THR  18  -7.015   4.577   4.577
  122   3HG2  THR  18          1HG2      THR  18  -7.194   3.185   3.185
  123    H    GLY  19           H        GLY  19  -1.768   2.644   2.644
  124   1HA   GLY  19          2HA       GLY  19  -1.506   0.448   0.448
  125   2HA   GLY  19          1HA       GLY  19  -0.269   1.676   1.676
  126    H    THR  20           H        THR  20  -0.678  -1.456  -1.456
  127    HA   THR  20           HA       THR  20   0.863  -1.416  -1.416
  128    HB   THR  20           HB       THR  20  -1.049  -3.662  -3.662
  129    HG1  THR  20           HG1      THR  20  -2.302  -1.795  -1.795
  130   1HG2  THR  20          3HG2      THR  20   0.769  -3.058  -3.058
  131   2HG2  THR  20          2HG2      THR  20  -0.776  -2.570  -2.570
  132   3HG2  THR  20          1HG2      THR  20  -0.549  -4.223  -4.223
  133    H    VAL  21           H        VAL  21   2.399  -3.143  -3.143
  134    HA   VAL  21           HA       VAL  21   2.933  -4.534  -4.534
  135    HB   VAL  21           HB       VAL  21   4.929  -3.781  -3.781
  136   1HG1  VAL  21          2HG1      VAL  21   5.029  -5.307  -5.307
  137   2HG1  VAL  21          1HG1      VAL  21   6.345  -4.163  -4.163
  138   3HG1  VAL  21          3HG1      VAL  21   6.042  -5.448  -5.448
  139   1HG2  VAL  21          2HG2      VAL  21   3.744  -1.918  -1.918
  140   2HG2  VAL  21          1HG2      VAL  21   5.499  -1.886  -1.886
  141   3HG2  VAL  21          3HG2      VAL  21   4.770  -2.522  -2.522
  142    H    ASP  22           H        ASP  22   2.864  -6.732  -6.732
  143    HA   ASP  22           HA       ASP  22   2.815  -8.016  -8.016
  144   1HB   ASP  22          2HB       ASP  22   1.148  -8.297  -8.297
  145   2HB   ASP  22          1HB       ASP  22   1.941  -9.837  -9.837
  146    H    LEU  23           H        LEU  23   4.876  -8.715  -8.715
  147    HA   LEU  23           HA       LEU  23   6.912  -9.308  -9.308
  148   1HB   LEU  23          2HB       LEU  23   6.278 -10.217 -10.217
  149   2HB   LEU  23          1HB       LEU  23   7.535 -11.089 -11.089
  150    HG   LEU  23           HG       LEU  23   8.534  -9.243  -9.243
  151   1HD1  LEU  23          2HD1      LEU  23   9.225  -9.876  -9.876
  152   2HD1  LEU  23          1HD1      LEU  23   8.502  -8.326  -8.326
  153   3HD1  LEU  23          3HD1      LEU  23   9.857  -8.383  -8.383
  154   1HD2  LEU  23          3HD2      LEU  23   6.664  -7.498  -7.498
  155   2HD2  LEU  23          2HD2      LEU  23   6.536  -7.798  -7.798
  156   3HD2  LEU  23          1HD2      LEU  23   7.917  -6.909  -6.909
  157    H    GLY  24           H        GLY  24   6.833 -10.696 -10.696
  158   1HA   GLY  24          2HA       GLY  24   6.906 -13.219 -13.219
  159   2HA   GLY  24          1HA       GLY  24   5.324 -13.255 -13.255
  160    H    SER  25           H        SER  25   3.599 -11.906 -11.906
  161    HA   SER  25           HA       SER  25   3.831 -10.808 -10.808
  162   1HB   SER  25          2HB       SER  25   2.808 -12.686 -12.686
  163   2HB   SER  25          1HB       SER  25   4.451 -13.013 -13.013
  164    HG   SER  25           HG       SER  25   2.587 -14.618 -14.618
  165    H    CYS  26           H        CYS  26   1.811 -10.004 -10.004
  166    HA   CYS  26           HA       CYS  26  -0.175  -9.439  -9.439
  167   1HB   CYS  26          2HB       CYS  26   0.119  -8.721  -8.721
  168   2HB   CYS  26          1HB       CYS  26  -1.020 -10.036 -10.036
  169    H    ASN  27           H        ASN  27  -2.417 -10.328 -10.328
  170    HA   ASN  27           HA       ASN  27  -2.606 -13.229 -13.229
  171   1HB   ASN  27          2HB       ASN  27  -2.882 -11.952 -11.952
  172   2HB   ASN  27          1HB       ASN  27  -3.608 -13.516 -13.516
  173   1HD2  ASN  27          2HD2      ASN  27   0.041 -13.749 -13.749
  174   2HD2  ASN  27          1HD2      ASN  27  -1.211 -12.735 -12.735
  175    H    ALA  28           H        ALA  28  -5.033 -13.786 -13.786
  176    HA   ALA  28           HA       ALA  28  -6.869 -12.463 -12.463
  177   1HB   ALA  28          1HB       ALA  28  -7.344 -14.254 -14.254
  178   2HB   ALA  28          3HB       ALA  28  -8.614 -13.720 -13.720
  179   3HB   ALA  28          2HB       ALA  28  -7.307 -14.743 -14.743
  180    H    GLY  29           H        GLY  29  -8.395 -10.850 -10.850
  181   1HA   GLY  29          2HA       GLY  29  -9.555  -9.243  -9.243
  182   2HA   GLY  29          1HA       GLY  29  -8.671  -9.809  -9.809
  183    H    TRP  30           H        TRP  30  -6.633  -9.258  -9.258
  184    HA   TRP  30           HA       TRP  30  -6.040  -6.481  -6.481
  185   1HB   TRP  30          2HB       TRP  30  -4.075  -8.750  -8.750
  186   2HB   TRP  30          1HB       TRP  30  -3.591  -7.059  -7.059
  187    HD1  TRP  30           HD1      TRP  30  -5.093  -9.930  -9.930
  188    HE1  TRP  30           HE1      TRP  30  -4.950  -9.347  -9.347
  189    HE3  TRP  30           HE3      TRP  30  -3.464  -5.100  -5.100
  190    HZ2  TRP  30           HZ2      TRP  30  -4.238  -7.127  -7.127
  191    HZ3  TRP  30           HZ3      TRP  30  -3.061  -3.775  -3.775
  192    HH2  TRP  30           HH2      TRP  30  -3.446  -4.782  -4.782
  193    H    GLU  31           H        GLU  31  -6.239  -5.171  -5.171
  194    HA   GLU  31           HA       GLU  31  -5.810  -6.329  -6.329
  195   1HB   GLU  31          2HB       GLU  31  -7.125  -3.766  -3.766
  196   2HB   GLU  31          1HB       GLU  31  -6.872  -4.161  -4.161
  197   1HG   GLU  31          2HG       GLU  31  -8.057  -6.412  -6.412
  198   2HG   GLU  31          1HG       GLU  31  -9.032  -4.964  -4.964
  199    H    LYS  32           H        LYS  32  -3.731  -6.118  -6.118
  200    HA   LYS  32           HA       LYS  32  -1.710  -4.505  -4.505
  201   1HB   LYS  32          2HB       LYS  32  -1.635  -6.271  -6.271
  202   2HB   LYS  32          1HB       LYS  32  -1.976  -4.912  -4.912
  203   1HG   LYS  32          2HG       LYS  32   0.114  -4.059  -4.059
  204   2HG   LYS  32          1HG       LYS  32   0.147  -4.368  -4.368
  205   1HD   LYS  32          2HD       LYS  32   1.177  -6.378  -6.378
  206   2HD   LYS  32          1HD       LYS  32   0.214  -6.799  -6.799
  207   1HE   LYS  32          2HE       LYS  32   1.735  -4.740  -4.740
  208   2HE   LYS  32          1HE       LYS  32   2.856  -5.499  -5.499
  209   1HZ   LYS  32          1HZ       LYS  32   1.902  -7.653  -7.653
  210   2HZ   LYS  32          3HZ       LYS  32   1.667  -6.567  -6.567
  211   3HZ   LYS  32          2HZ       LYS  32   3.223  -6.797  -6.797
  212    H    CYS  33           H        CYS  33  -1.493  -2.330  -2.330
  213    HA   CYS  33           HA       CYS  33  -3.174  -0.614  -0.614
  214   1HB   CYS  33          2HB       CYS  33  -3.290  -0.444  -0.444
  215   2HB   CYS  33          1HB       CYS  33  -1.682   0.277   0.277
  216    H    ALA  34           H        ALA  34   0.018  -1.670  -1.670
  217    HA   ALA  34           HA       ALA  34   0.980   0.513   0.513
  218   1HB   ALA  34          2HB       ALA  34   1.688   0.338   0.338
  219   2HB   ALA  34          1HB       ALA  34   3.021  -0.473  -0.473
  220   3HB   ALA  34          3HB       ALA  34   2.602   1.186   1.186
  221    H    SER  35           H        SER  35   2.093  -0.289  -0.289
  222    HA   SER  35           HA       SER  35   2.174  -2.981  -2.981
  223   1HB   SER  35          2HB       SER  35   2.734  -1.069  -1.069
  224   2HB   SER  35          1HB       SER  35   4.298  -0.940  -0.940
  225    HG   SER  35           HG       SER  35   3.271  -3.244  -3.244
  226    H    TYR  36           H        TYR  36   4.239  -1.282  -1.282
  227    HA   TYR  36           HA       TYR  36   5.462  -3.829  -3.829
  228   1HB   TYR  36          2HB       TYR  36   6.830  -2.618  -2.618
  229   2HB   TYR  36          1HB       TYR  36   7.414  -1.638  -1.638
  230    HD1  TYR  36           HD1      TYR  36   6.498  -5.266  -5.266
  231    HD2  TYR  36           HD2      TYR  36   9.562  -2.366  -2.366
  232    HE1  TYR  36           HE1      TYR  36   8.048  -7.088  -7.088
  233    HE2  TYR  36           HE2      TYR  36  11.112  -4.188  -4.188
  234    HH   TYR  36           HH       TYR  36  10.953  -6.522  -6.522
  235    H    TYR  37           H        TYR  37   7.663  -2.218  -2.218
  236    HA   TYR  37           HA       TYR  37   6.573  -0.208  -0.208
  237   1HB   TYR  37          2HB       TYR  37   5.065  -1.880  -1.880
  238   2HB   TYR  37          1HB       TYR  37   6.385  -3.030  -3.030
  239    HD1  TYR  37           HD2      TYR  37   5.594   0.519   0.519
  240    HD2  TYR  37           HD1      TYR  37   7.223  -3.271  -3.271
  241    HE1  TYR  37           HE2      TYR  37   6.033   1.423   1.423
  242    HE2  TYR  37           HE1      TYR  37   7.661  -2.367  -2.367
  243    HH   TYR  37           HH       TYR  37   7.692   0.853   0.853
  244    H    THR  38           H        THR  38   8.225  -2.900  -2.900
  245    HA   THR  38           HA       THR  38  10.701  -1.234  -1.234
  246    HB   THR  38           HB       THR  38   9.749  -1.800  -1.800
  247    HG1  THR  38           HG1      THR  38  11.761  -1.869  -1.869
  248   1HG2  THR  38          2HG2      THR  38   9.193  -4.255  -4.255
  249   2HG2  THR  38          1HG2      THR  38  10.413  -4.619  -4.619
  250   3HG2  THR  38          3HG2      THR  38   8.905  -3.835  -3.835
  251    H    ILE  39           H        ILE  39  12.718  -2.847  -2.847
  252    HA   ILE  39           HA       ILE  39  12.831  -4.376  -4.376
  253    HB   ILE  39           HB       ILE  39  14.786  -3.958  -3.958
  254   1HG1  ILE  39          2HG1      ILE  39  14.858  -3.103  -3.103
  255   2HG1  ILE  39          1HG1      ILE  39  14.285  -2.074  -2.074
  256   1HG2  ILE  39          2HG2      ILE  39  14.869  -5.799  -5.799
  257   2HG2  ILE  39          1HG2      ILE  39  16.358  -4.984  -4.984
  258   3HG2  ILE  39          3HG2      ILE  39  15.517  -6.031  -6.031
  259   1HD1  ILE  39          1HD1      ILE  39  16.728  -3.016  -3.016
  260   2HD1  ILE  39          3HD1      ILE  39  17.025  -2.731  -2.731
  261   3HD1  ILE  39          2HD1      ILE  39  16.435  -1.421  -1.421
  262    H    ILE  40           H        ILE  40  11.746  -5.088  -5.088
  263    HA   ILE  40           HA       ILE  40  11.852  -7.989  -7.989
  264    HB   ILE  40           HB       ILE  40  13.641  -7.063  -7.063
  265   1HG1  ILE  40          2HG1      ILE  40  13.556  -9.384  -9.384
  266   2HG1  ILE  40          1HG1      ILE  40  13.379  -9.288  -9.288
  267   1HG2  ILE  40          2HG2      ILE  40  11.405  -6.243  -6.243
  268   2HG2  ILE  40          1HG2      ILE  40  11.665  -7.821  -7.821
  269   3HG2  ILE  40          3HG2      ILE  40  12.939  -6.603  -6.603
  270   1HD1  ILE  40          1HD1      ILE  40  11.039  -9.451  -9.451
  271   2HD1  ILE  40          3HD1      ILE  40  11.745 -10.852 -10.852
  272   3HD1  ILE  40          2HD1      ILE  40  10.984  -9.576  -9.576
  273    H    ALA  41           H        ALA  41   9.686  -6.096  -6.096
  274    HA   ALA  41           HA       ALA  41   7.587  -7.563  -7.563
  275   1HB   ALA  41          2HB       ALA  41   8.847  -5.832  -5.832
  276   2HB   ALA  41          1HB       ALA  41   7.402  -4.955  -4.955
  277   3HB   ALA  41          3HB       ALA  41   7.256  -6.564  -6.564
  278    H    ASP  42           H        ASP  42   5.453  -6.555  -6.555
  279    HA   ASP  42           HA       ASP  42   5.610  -4.514  -4.514
  280   1HB   ASP  42          2HB       ASP  42   3.832  -6.924  -6.924
  281   2HB   ASP  42          1HB       ASP  42   3.344  -5.585  -5.585
  282    H    CYS  43           H        CYS  43   3.373  -3.340  -3.340
  283    HA   CYS  43           HA       CYS  43   2.533  -2.600  -2.600
  284   1HB   CYS  43          2HB       CYS  43   3.606  -0.826  -0.826
  285   2HB   CYS  43          1HB       CYS  43   2.183  -0.943  -0.943
  286    H    CYS  44           H        CYS  44   0.666  -3.681  -3.681
  287    HA   CYS  44           HA       CYS  44  -1.421  -3.804  -3.804
  288   1HB   CYS  44          2HB       CYS  44  -0.382  -5.808  -5.808
  289   2HB   CYS  44          1HB       CYS  44  -2.133  -5.641  -5.641
  290    H    ARG  45           H        ARG  45  -3.618  -3.405  -3.405
  291    HA   ARG  45           HA       ARG  45  -3.789  -1.858  -1.858
  292   1HB   ARG  45          2HB       ARG  45  -4.137  -0.496  -0.496
  293   2HB   ARG  45          1HB       ARG  45  -5.465  -1.560  -1.560
  294   1HG   ARG  45          2HG       ARG  45  -6.106  -0.897  -0.897
  295   2HG   ARG  45          1HG       ARG  45  -5.415   0.602   0.602
  296   1HD   ARG  45          2HD       ARG  45  -7.213  -0.699  -0.699
  297   2HD   ARG  45          1HD       ARG  45  -8.019  -0.258  -0.258
  298    HE   ARG  45           HE       ARG  45  -6.355   1.847   1.847
  299   1HH1  ARG  45          2HH1      ARG  45  -8.878   1.818   1.818
  300   2HH1  ARG  45          1HH1      ARG  45 -10.012   2.620   2.620
  301   1HH2  ARG  45          1HH2      ARG  45  -8.061   2.281   2.281
  302   2HH2  ARG  45          2HH2      ARG  45  -9.549   2.882   2.882
  303    H    LYS  46           H        LYS  46  -4.822  -3.065  -3.065
  304    HA   LYS  46           HA       LYS  46  -6.264  -5.408  -5.408
  305   1HB   LYS  46          2HB       LYS  46  -5.633  -4.277  -4.277
  306   2HB   LYS  46          1HB       LYS  46  -7.071  -3.275  -3.275
  307   1HG   LYS  46          2HG       LYS  46  -8.189  -5.684  -5.684
  308   2HG   LYS  46          1HG       LYS  46  -6.857  -6.176  -6.176
  309   1HD   LYS  46          2HD       LYS  46  -8.382  -3.764  -3.764
  310   2HD   LYS  46          1HD       LYS  46  -9.220  -5.309  -5.309
  311   1HE   LYS  46          2HE       LYS  46  -6.483  -5.513  -5.513
  312   2HE   LYS  46          1HE       LYS  46  -7.375  -4.265  -4.265
  313   1HZ   LYS  46          2HZ       LYS  46  -8.992  -6.556  -6.556
  314   2HZ   LYS  46          1HZ       LYS  46  -7.534  -6.996  -6.996
  315   3HZ   LYS  46          3HZ       LYS  46  -8.524  -5.809  -5.809
  316    H    LYS  47           H        LYS  47  -7.657  -5.439  -5.439
  317    HA   LYS  47           HA       LYS  47  -9.702  -5.148  -5.148
  318   1HB   LYS  47          2HB       LYS  47 -10.555  -3.753  -3.753
  319   2HB   LYS  47          1HB       LYS  47 -11.616  -4.424  -4.424
  320   1HG   LYS  47          2HG       LYS  47  -9.699  -6.405  -6.405
  321   2HG   LYS  47          1HG       LYS  47 -10.643  -5.764  -5.764
  322   1HD   LYS  47          2HD       LYS  47 -12.684  -6.107  -6.107
  323   2HD   LYS  47          1HD       LYS  47 -11.602  -7.200  -7.200
  324   1HE   LYS  47          2HE       LYS  47 -12.974  -8.373  -8.373
  325   2HE   LYS  47          1HE       LYS  47 -11.242  -8.511  -8.511
  326   1HZ   LYS  47          2HZ       LYS  47 -12.573  -6.218  -6.218
  327   2HZ   LYS  47          1HZ       LYS  47 -12.982  -7.732  -7.732
  328   3HZ   LYS  47          3HZ       LYS  47 -11.363  -7.226  -7.226
  329    H    LYS  48           H        LYS  48 -11.216  -3.294  -3.294
  330    HA   LYS  48           HA       LYS  48  -9.553  -0.826  -0.826
  331   1HB   LYS  48          2HB       LYS  48 -10.413  -2.343  -2.343
  332   2HB   LYS  48          1HB       LYS  48 -11.868  -1.368  -1.368
  333   1HG   LYS  48          2HG       LYS  48 -10.890   0.394   0.394
  334   2HG   LYS  48          1HG       LYS  48  -9.534   0.324   0.324
  335   1HD   LYS  48          2HD       LYS  48  -8.669   0.019   0.019
  336   2HD   LYS  48          1HD       LYS  48  -8.556  -1.522  -1.522
  337   1HE   LYS  48          2HE       LYS  48 -10.328  -2.464  -2.464
  338   2HE   LYS  48          1HE       LYS  48 -11.017  -0.892  -0.892
  339   1HZ   LYS  48          3HZ       LYS  48  -8.339  -1.569  -1.569
  340   2HZ   LYS  48          2HZ       LYS  48  -9.690  -2.259  -2.259
  341   3HZ   LYS  48          1HZ       LYS  48  -9.525  -0.570  -0.570
  342   1H    NH2  49          1HT       LYS  48 -10.937   1.252   1.252
  343   2H    NH2  49          2HT       LYS  48 -12.314   1.372   1.372

  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   3.475  -3.630  -3.630
    2   2H    ALA   1          3H        ALA   1   5.052  -4.254  -4.254
    3   3H    ALA   1          2H        ALA   1   4.314  -3.712  -3.712
    4    HA   ALA   1           HA       ALA   1   5.122  -1.693  -1.693
    5   1HB   ALA   1          1HB       ALA   1   6.915  -3.012  -3.012
    6   2HB   ALA   1          3HB       ALA   1   6.087  -2.595  -2.595
    7   3HB   ALA   1          2HB       ALA   1   6.769  -1.323  -1.323
    8    H    ALA   2           H        ALA   2   3.201  -0.507  -0.507
    9    HA   ALA   2           HA       ALA   2   1.424  -0.399  -0.399
   10   1HB   ALA   2          3HB       ALA   2   1.935   1.161   1.161
   11   2HB   ALA   2          2HB       ALA   2   1.528   2.220   2.220
   12   3HB   ALA   2          1HB       ALA   2   0.419   0.934   0.934
   13    H    CYS   3           H        CYS   3   1.189   1.320   1.320
   14    HA   CYS   3           HA       CYS   3   3.451   3.028   3.028
   15   1HB   CYS   3          2HB       CYS   3   4.193   1.931   1.931
   16   2HB   CYS   3          1HB       CYS   3   4.254   0.741   0.741
   17    H    LYS   4           H        LYS   4   3.033   4.209   4.209
   18    HA   LYS   4           HA       LYS   4   0.188   4.838   4.838
   19   1HB   LYS   4          2HB       LYS   4   2.665   6.115   6.115
   20   2HB   LYS   4          1HB       LYS   4   1.671   6.045   6.045
   21   1HG   LYS   4          2HG       LYS   4  -0.246   6.961   6.961
   22   2HG   LYS   4          1HG       LYS   4   0.889   7.204   7.204
   23   1HD   LYS   4          2HD       LYS   4   0.585   9.264   9.264
   24   2HD   LYS   4          1HD       LYS   4   2.251   8.685   8.685
   25   1HE   LYS   4          2HE       LYS   4   0.595   7.497   7.497
   26   2HE   LYS   4          1HE       LYS   4   0.715   9.253   9.253
   27   1HZ   LYS   4          1HZ       LYS   4   3.162   8.976   8.976
   28   2HZ   LYS   4          3HZ       LYS   4   2.943   7.299   7.299
   29   3HZ   LYS   4          2HZ       LYS   4   2.532   8.323   8.323
   30    H    CYS   5           H        CYS   5  -0.384   5.256   5.256
   31    HA   CYS   5           HA       CYS   5   0.249   2.719   2.719
   32   1HB   CYS   5          2HB       CYS   5  -2.457   3.830   3.830
   33   2HB   CYS   5          1HB       CYS   5  -2.255   2.848   2.848
   34    H    ASP   6           H        ASP   6  -0.768   2.961   2.961
   35    HA   ASP   6           HA       ASP   6   0.389   5.425   5.425
   36   1HB   ASP   6          2HB       ASP   6   0.161   2.846   2.846
   37   2HB   ASP   6          1HB       ASP   6  -1.101   3.683   3.683
   38    H    ASP   7           H        ASP   7  -2.518   4.804   4.804
   39    HA   ASP   7           HA       ASP   7  -4.038   6.484   6.484
   40   1HB   ASP   7          2HB       ASP   7  -6.015   5.718   5.718
   41   2HB   ASP   7          1HB       ASP   7  -5.279   4.515   4.515
   42    H    GLU   8           H        GLU   8  -2.458   6.566   6.566
   43    HA   GLU   8           HA       GLU   8  -4.123   8.782   8.782
   44   1HB   GLU   8          2HB       GLU   8  -1.547   7.900   7.900
   45   2HB   GLU   8          1HB       GLU   8  -3.026   8.484   8.484
   46   1HG   GLU   8          2HG       GLU   8  -4.141   6.350   6.350
   47   2HG   GLU   8          1HG       GLU   8  -2.509   5.769   5.769
   48    H    GLY   9           H        GLY   9  -2.701   9.217   9.217
   49   1HA   GLY   9          2HA       GLY   9  -1.435  10.937  10.937
   50   2HA   GLY   9          1HA       GLY   9  -1.484  11.751  11.751
   51    HA   PRO  10           HA       PRO  10   2.804   9.992   9.992
   52   1HB   PRO  10          2HB       PRO  10   4.038  12.334  12.334
   53   2HB   PRO  10          1HB       PRO  10   3.279  11.244  11.244
   54   1HG   PRO  10          2HG       PRO  10   2.338  13.871  13.871
   55   2HG   PRO  10          1HG       PRO  10   2.008  13.072  13.072
   56   1HD   PRO  10          2HD       PRO  10   0.257  13.204  13.204
   57   2HD   PRO  10          1HD       PRO  10   0.061  12.169  12.169
   58    H    ASP  11           H        ASP  11   1.848  13.128  13.128
   59    HA   ASP  11           HA       ASP  11   3.970  13.598  13.598
   60   1HB   ASP  11          2HB       ASP  11   1.006  14.070  14.070
   61   2HB   ASP  11          1HB       ASP  11   2.082  14.473  14.473
   62    H    ILE  12           H        ILE  12   4.451  12.914  12.914
   63    HA   ILE  12           HA       ILE  12   3.121  10.351  10.351
   64    HB   ILE  12           HB       ILE  12   5.404  10.081  10.081
   65   1HG1  ILE  12          2HG1      ILE  12   7.272  11.128  11.128
   66   2HG1  ILE  12          1HG1      ILE  12   6.096  12.022  12.022
   67   1HG2  ILE  12          1HG2      ILE  12   4.806   9.675   9.675
   68   2HG2  ILE  12          3HG2      ILE  12   6.393   9.238   9.238
   69   3HG2  ILE  12          2HG2      ILE  12   4.942   8.474   8.474
   70   1HD1  ILE  12          1HD1      ILE  12   5.794  12.233  12.233
   71   2HD1  ILE  12          3HD1      ILE  12   7.212  13.021  13.021
   72   3HD1  ILE  12          2HD1      ILE  12   5.597  13.468  13.468
   73    H    ARG  13           H        ARG  13   3.703  13.583  13.583
   74    HA   ARG  13           HA       ARG  13   3.457  13.076  13.076
   75   1HB   ARG  13          2HB       ARG  13   3.799  15.581  15.581
   76   2HB   ARG  13          1HB       ARG  13   3.489  15.635  15.635
   77   1HG   ARG  13          2HG       ARG  13   5.487  13.935  13.935
   78   2HG   ARG  13          1HG       ARG  13   5.896  14.586  14.586
   79   1HD   ARG  13          2HD       ARG  13   7.082  15.967  15.967
   80   2HD   ARG  13          1HD       ARG  13   5.652  16.910  16.910
   81    HE   ARG  13           HE       ARG  13   4.670  15.988  15.988
   82   1HH1  ARG  13          1HH2      ARG  13   7.680  14.718  14.718
   83   2HH1  ARG  13          2HH2      ARG  13   8.277  15.518  15.518
   84   1HH2  ARG  13          2HH1      ARG  13   5.591  17.699  17.699
   85   2HH2  ARG  13          1HH1      ARG  13   7.095  17.206  17.206
   86    H    THR  14           H        THR  14   1.363  13.170  13.170
   87    HA   THR  14           HA       THR  14  -0.842  14.157  14.157
   88    HB   THR  14           HB       THR  14  -0.762  14.454  14.454
   89    HG1  THR  14           HG1      THR  14  -0.279  16.414  16.414
   90   1HG2  THR  14          1HG2      THR  14  -2.618  15.266  15.266
   91   2HG2  THR  14          3HG2      THR  14  -2.502  16.278  16.278
   92   3HG2  THR  14          2HG2      THR  14  -2.998  14.592  14.592
   93    H    ALA  15           H        ALA  15  -1.278  11.950  11.950
   94    HA   ALA  15           HA       ALA  15  -3.224  10.606  10.606
   95   1HB   ALA  15          2HB       ALA  15  -0.417   9.527   9.527
   96   2HB   ALA  15          1HB       ALA  15  -1.879   8.621   8.621
   97   3HB   ALA  15          3HB       ALA  15  -1.509  10.112  10.112
   98    HA   PRO  16           HA       PRO  16  -3.328   8.536   8.536
   99   1HB   PRO  16          2HB       PRO  16  -5.354   6.806   6.806
  100   2HB   PRO  16          1HB       PRO  16  -5.607   8.532   8.532
  101   1HG   PRO  16          2HG       PRO  16  -5.689   7.034   7.034
  102   2HG   PRO  16          1HG       PRO  16  -6.485   8.551   8.551
  103   1HD   PRO  16          2HD       PRO  16  -4.128   8.261   8.261
  104   2HD   PRO  16          1HD       PRO  16  -4.805   9.781   9.781
  105    H    LEU  17           H        LEU  17  -1.683   7.377   7.377
  106    HA   LEU  17           HA       LEU  17  -0.612   5.364   5.364
  107   1HB   LEU  17          2HB       LEU  17  -0.657   5.486   5.486
  108   2HB   LEU  17          1HB       LEU  17   0.118   4.140   4.140
  109    HG   LEU  17           HG       LEU  17   1.704   6.002   6.002
  110   1HD1  LEU  17          2HD1      LEU  17   1.854   4.428   4.428
  111   2HD1  LEU  17          1HD1      LEU  17   1.306   5.814   5.814
  112   3HD1  LEU  17          3HD1      LEU  17   2.820   5.902   5.902
  113   1HD2  LEU  17          1HD2      LEU  17  -0.195   7.735   7.735
  114   2HD2  LEU  17          3HD2      LEU  17   1.457   8.147   8.147
  115   3HD2  LEU  17          2HD2      LEU  17   0.316   7.586   7.586
  116    H    THR  18           H        THR  18  -2.954   4.761   4.761
  117    HA   THR  18           HA       THR  18  -4.270   2.698   2.698
  118    HB   THR  18           HB       THR  18  -5.985   2.732   2.732
  119    HG1  THR  18           HG1      THR  18  -5.280   3.983   3.983
  120   1HG2  THR  18          3HG2      THR  18  -5.440   4.978   4.978
  121   2HG2  THR  18          2HG2      THR  18  -4.859   5.497   5.497
  122   3HG2  THR  18          1HG2      THR  18  -6.542   5.010   5.010
  123    H    GLY  19           H        GLY  19  -1.496   2.621   2.621
  124   1HA   GLY  19          2HA       GLY  19  -1.962   0.147   0.147
  125   2HA   GLY  19          1HA       GLY  19  -0.429   1.012   1.012
  126    H    THR  20           H        THR  20  -0.618  -1.797  -1.797
  127    HA   THR  20           HA       THR  20   0.334  -2.002  -2.002
  128    HB   THR  20           HB       THR  20  -1.415  -4.191  -4.191
  129    HG1  THR  20           HG1      THR  20  -2.333  -1.908  -1.908
  130   1HG2  THR  20          3HG2      THR  20  -0.313  -3.278  -3.278
  131   2HG2  THR  20          2HG2      THR  20  -1.927  -3.988  -3.988
  132   3HG2  THR  20          1HG2      THR  20  -0.568  -4.915  -4.915
  133    H    VAL  21           H        VAL  21   2.392  -2.721  -2.721
  134    HA   VAL  21           HA       VAL  21   3.175  -4.264  -4.264
  135    HB   VAL  21           HB       VAL  21   4.686  -3.403  -3.403
  136   1HG1  VAL  21          1HG1      VAL  21   5.314  -5.481  -5.481
  137   2HG1  VAL  21          3HG1      VAL  21   6.369  -4.122  -4.122
  138   3HG1  VAL  21          2HG1      VAL  21   6.356  -4.793  -4.793
  139   1HG2  VAL  21          3HG2      VAL  21   3.873  -1.764  -1.764
  140   2HG2  VAL  21          2HG2      VAL  21   5.541  -1.664  -1.664
  141   3HG2  VAL  21          1HG2      VAL  21   5.169  -2.495  -2.495
  142    H    ASP  22           H        ASP  22   3.019  -6.446  -6.446
  143    HA   ASP  22           HA       ASP  22   2.788  -7.972  -7.972
  144   1HB   ASP  22          2HB       ASP  22   1.869  -8.637  -8.637
  145   2HB   ASP  22          1HB       ASP  22   1.764  -9.751  -9.751
  146    H    LEU  23           H        LEU  23   4.468  -9.286  -9.286
  147    HA   LEU  23           HA       LEU  23   6.794  -9.481  -9.481
  148   1HB   LEU  23          2HB       LEU  23   5.972 -10.751 -10.751
  149   2HB   LEU  23          1HB       LEU  23   7.441 -11.268 -11.268
  150    HG   LEU  23           HG       LEU  23   7.934  -9.492  -9.492
  151   1HD1  LEU  23          2HD1      LEU  23   8.862  -9.665  -9.665
  152   2HD1  LEU  23          1HD1      LEU  23   8.223  -8.021  -8.021
  153   3HD1  LEU  23          3HD1      LEU  23   9.450  -8.479  -8.479
  154   1HD2  LEU  23          2HD2      LEU  23   5.570  -8.461  -8.461
  155   2HD2  LEU  23          1HD2      LEU  23   6.917  -7.367  -7.367
  156   3HD2  LEU  23          3HD2      LEU  23   6.334  -7.597  -7.597
  157    H    GLY  24           H        GLY  24   6.990 -10.838 -10.838
  158   1HA   GLY  24          2HA       GLY  24   7.068 -13.205 -13.205
  159   2HA   GLY  24          1HA       GLY  24   5.553 -13.457 -13.457
  160    H    SER  25           H        SER  25   3.650 -12.179 -12.179
  161    HA   SER  25           HA       SER  25   3.697 -10.922 -10.922
  162   1HB   SER  25          2HB       SER  25   3.042 -13.863 -13.863
  163   2HB   SER  25          1HB       SER  25   2.332 -12.824 -12.824
  164    HG   SER  25           HG       SER  25   4.852 -13.820 -13.820
  165    H    CYS  26           H        CYS  26   1.481 -10.384 -10.384
  166    HA   CYS  26           HA       CYS  26  -0.235  -9.610  -9.610
  167   1HB   CYS  26          2HB       CYS  26  -0.784 -10.105 -10.105
  168   2HB   CYS  26          1HB       CYS  26  -1.996  -9.443  -9.443
  169    H    ASN  27           H        ASN  27  -2.769 -10.476 -10.476
  170    HA   ASN  27           HA       ASN  27  -2.916 -13.385 -13.385
  171   1HB   ASN  27          2HB       ASN  27  -2.379 -12.154 -12.154
  172   2HB   ASN  27          1HB       ASN  27  -3.966 -12.926 -12.926
  173   1HD2  ASN  27          2HD2      ASN  27  -2.262 -15.956 -15.956
  174   2HD2  ASN  27          1HD2      ASN  27  -3.362 -14.796 -14.796
  175    H    ALA  28           H        ALA  28  -5.208 -14.123 -14.123
  176    HA   ALA  28           HA       ALA  28  -7.110 -12.585 -12.585
  177   1HB   ALA  28          1HB       ALA  28  -7.139 -14.975 -14.975
  178   2HB   ALA  28          3HB       ALA  28  -8.634 -14.047 -14.047
  179   3HB   ALA  28          2HB       ALA  28  -8.070 -14.622 -14.622
  180    H    GLY  29           H        GLY  29  -8.925 -11.321 -11.321
  181   1HA   GLY  29          2HA       GLY  29 -10.070  -9.926  -9.926
  182   2HA   GLY  29          1HA       GLY  29  -8.982 -10.489 -10.489
  183    H    TRP  30           H        TRP  30  -7.214  -9.573  -9.573
  184    HA   TRP  30           HA       TRP  30  -6.901  -6.779  -6.779
  185   1HB   TRP  30          2HB       TRP  30  -4.702  -8.776  -8.776
  186   2HB   TRP  30          1HB       TRP  30  -4.422  -7.048  -7.048
  187    HD1  TRP  30           HD1      TRP  30  -5.582 -10.154 -10.154
  188    HE1  TRP  30           HE1      TRP  30  -5.350  -9.695  -9.695
  189    HE3  TRP  30           HE3      TRP  30  -4.295  -5.212  -5.212
  190    HZ2  TRP  30           HZ2      TRP  30  -4.705  -7.521  -7.521
  191    HZ3  TRP  30           HZ3      TRP  30  -3.879  -3.974  -3.974
  192    HH2  TRP  30           HH2      TRP  30  -4.082  -5.120  -5.120
  193    H    GLU  31           H        GLU  31  -5.698  -5.412  -5.412
  194    HA   GLU  31           HA       GLU  31  -6.013  -6.428  -6.428
  195   1HB   GLU  31          2HB       GLU  31  -8.068  -5.084  -5.084
  196   2HB   GLU  31          1HB       GLU  31  -7.005  -3.679  -3.679
  197   1HG   GLU  31          2HG       GLU  31  -6.572  -4.120  -4.120
  198   2HG   GLU  31          1HG       GLU  31  -7.550  -5.586  -5.586
  199    H    LYS  32           H        LYS  32  -3.870  -6.301  -6.301
  200    HA   LYS  32           HA       LYS  32  -1.862  -4.646  -4.646
  201   1HB   LYS  32          2HB       LYS  32  -1.812  -6.469  -6.469
  202   2HB   LYS  32          1HB       LYS  32  -2.103  -5.117  -5.117
  203   1HG   LYS  32          2HG       LYS  32  -0.094  -4.010  -4.010
  204   2HG   LYS  32          1HG       LYS  32   0.127  -5.110  -5.110
  205   1HD   LYS  32          2HD       LYS  32   1.398  -6.397  -6.397
  206   2HD   LYS  32          1HD       LYS  32  -0.058  -6.765  -6.765
  207   1HE   LYS  32          2HE       LYS  32   0.586  -4.281  -4.281
  208   2HE   LYS  32          1HE       LYS  32   2.183  -4.964  -4.964
  209   1HZ   LYS  32          2HZ       LYS  32   0.261  -6.723  -6.723
  210   2HZ   LYS  32          1HZ       LYS  32   0.806  -5.414  -5.414
  211   3HZ   LYS  32          3HZ       LYS  32   1.921  -6.522  -6.522
  212    H    CYS  33           H        CYS  33  -1.518  -2.475  -2.475
  213    HA   CYS  33           HA       CYS  33  -3.194  -0.819  -0.819
  214   1HB   CYS  33          2HB       CYS  33  -3.094   0.947   0.947
  215   2HB   CYS  33          1HB       CYS  33  -3.615  -0.534  -0.534
  216    H    ALA  34           H        ALA  34  -0.051  -1.863  -1.863
  217    HA   ALA  34           HA       ALA  34   1.016   0.341   0.341
  218   1HB   ALA  34          3HB       ALA  34   2.005  -0.547  -0.547
  219   2HB   ALA  34          2HB       ALA  34   3.160   0.044   0.044
  220   3HB   ALA  34          1HB       ALA  34   1.849   1.087   1.087
  221    H    SER  35           H        SER  35   2.018  -0.550  -0.550
  222    HA   SER  35           HA       SER  35   2.277  -3.247  -3.247
  223   1HB   SER  35          2HB       SER  35   2.756  -1.366  -1.366
  224   2HB   SER  35          1HB       SER  35   4.310  -1.142  -1.142
  225    HG   SER  35           HG       SER  35   5.041  -2.820  -2.820
  226    H    TYR  36           H        TYR  36   4.282  -1.319  -1.319
  227    HA   TYR  36           HA       TYR  36   5.590  -3.762  -3.762
  228   1HB   TYR  36          2HB       TYR  36   6.916  -2.628  -2.628
  229   2HB   TYR  36          1HB       TYR  36   7.463  -1.545  -1.545
  230    HD1  TYR  36           HD1      TYR  36   6.672  -5.210  -5.210
  231    HD2  TYR  36           HD2      TYR  36   9.635  -2.163  -2.163
  232    HE1  TYR  36           HE1      TYR  36   8.281  -6.931  -6.931
  233    HE2  TYR  36           HE2      TYR  36  11.245  -3.885  -3.885
  234    HH   TYR  36           HH       TYR  36  10.529  -7.310  -7.310
  235    H    TYR  37           H        TYR  37   7.724  -2.003  -2.003
  236    HA   TYR  37           HA       TYR  37   6.520   0.068   0.068
  237   1HB   TYR  37          2HB       TYR  37   5.152  -1.626  -1.626
  238   2HB   TYR  37          1HB       TYR  37   6.540  -2.691  -2.691
  239    HD1  TYR  37           HD2      TYR  37   5.995   0.961   0.961
  240    HD2  TYR  37           HD1      TYR  37   7.039  -2.886  -2.886
  241    HE1  TYR  37           HE2      TYR  37   6.446   1.999   1.999
  242    HE2  TYR  37           HE1      TYR  37   7.490  -1.849  -1.849
  243    HH   TYR  37           HH       TYR  37   6.968   1.638   1.638
  244    H    THR  38           H        THR  38   8.397  -2.407  -2.407
  245    HA   THR  38           HA       THR  38  10.740  -0.560  -0.560
  246    HB   THR  38           HB       THR  38   9.878  -1.081  -1.081
  247    HG1  THR  38           HG1      THR  38  11.895  -2.053  -2.053
  248   1HG2  THR  38          2HG2      THR  38   9.481  -3.629  -3.629
  249   2HG2  THR  38          1HG2      THR  38  10.761  -3.842  -3.842
  250   3HG2  THR  38          3HG2      THR  38   9.211  -3.151  -3.151
  251    H    ILE  39           H        ILE  39  12.880  -2.004  -2.004
  252    HA   ILE  39           HA       ILE  39  13.050  -3.648  -3.648
  253    HB   ILE  39           HB       ILE  39  15.024  -2.957  -2.957
  254   1HG1  ILE  39          2HG1      ILE  39  14.457  -1.148  -1.148
  255   2HG1  ILE  39          1HG1      ILE  39  16.100  -1.712  -1.712
  256   1HG2  ILE  39          1HG2      ILE  39  15.330  -4.739  -4.739
  257   2HG2  ILE  39          3HG2      ILE  39  16.706  -3.997  -3.997
  258   3HG2  ILE  39          2HG2      ILE  39  15.677  -5.138  -5.138
  259   1HD1  ILE  39          2HD1      ILE  39  14.447  -3.356  -3.356
  260   2HD1  ILE  39          1HD1      ILE  39  13.803  -1.726  -1.726
  261   3HD1  ILE  39          3HD1      ILE  39  15.495  -2.056  -2.056
  262    H    ILE  40           H        ILE  40  12.140  -4.268  -4.268
  263    HA   ILE  40           HA       ILE  40  12.437  -7.184  -7.184
  264    HB   ILE  40           HB       ILE  40  14.219  -6.043  -6.043
  265   1HG1  ILE  40          2HG1      ILE  40  14.283  -8.389  -8.389
  266   2HG1  ILE  40          1HG1      ILE  40  14.159  -8.202  -8.202
  267   1HG2  ILE  40          2HG2      ILE  40  12.065  -5.218  -5.218
  268   2HG2  ILE  40          1HG2      ILE  40  12.282  -6.789  -6.789
  269   3HG2  ILE  40          3HG2      ILE  40  13.590  -5.606  -5.606
  270   1HD1  ILE  40          3HD1      ILE  40  11.773  -8.643  -8.643
  271   2HD1  ILE  40          2HD1      ILE  40  12.607  -9.939  -9.939
  272   3HD1  ILE  40          1HD1      ILE  40  11.788  -8.667  -8.667
  273    H    ALA  41           H        ALA  41  10.118  -5.517  -5.517
  274    HA   ALA  41           HA       ALA  41   8.193  -7.054  -7.054
  275   1HB   ALA  41          3HB       ALA  41   9.372  -5.069  -5.069
  276   2HB   ALA  41          2HB       ALA  41   7.791  -4.430  -4.430
  277   3HB   ALA  41          1HB       ALA  41   7.912  -5.993  -5.993
  278    H    ASP  42           H        ASP  42   5.957  -6.138  -6.138
  279    HA   ASP  42           HA       ASP  42   5.869  -4.321  -4.321
  280   1HB   ASP  42          2HB       ASP  42   5.049  -6.889  -6.889
  281   2HB   ASP  42          1HB       ASP  42   3.575  -6.126  -6.126
  282    H    CYS  43           H        CYS  43   2.873  -4.304  -4.304
  283    HA   CYS  43           HA       CYS  43   2.307  -3.131  -3.131
  284   1HB   CYS  43          2HB       CYS  43   3.138  -1.397  -1.397
  285   2HB   CYS  43          1HB       CYS  43   1.717  -0.869  -0.869
  286    H    CYS  44           H        CYS  44   0.451  -4.426  -4.426
  287    HA   CYS  44           HA       CYS  44  -1.448  -4.064  -4.064
  288   1HB   CYS  44          2HB       CYS  44  -0.802  -6.236  -6.236
  289   2HB   CYS  44          1HB       CYS  44  -2.533  -5.897  -5.897
  290    H    ARG  45           H        ARG  45  -3.678  -3.513  -3.513
  291    HA   ARG  45           HA       ARG  45  -3.979  -2.009  -2.009
  292   1HB   ARG  45          2HB       ARG  45  -4.266  -1.105  -1.105
  293   2HB   ARG  45          1HB       ARG  45  -5.924  -1.360  -1.360
  294   1HG   ARG  45          2HG       ARG  45  -4.948  -0.147  -0.147
  295   2HG   ARG  45          1HG       ARG  45  -3.877   0.566   0.566
  296   1HD   ARG  45          2HD       ARG  45  -6.901   0.529   0.529
  297   2HD   ARG  45          1HD       ARG  45  -5.965   1.902   1.902
  298    HE   ARG  45           HE       ARG  45  -4.815   1.768   1.768
  299   1HH1  ARG  45          1HH2      ARG  45  -6.443  -0.429  -0.429
  300   2HH1  ARG  45          2HH2      ARG  45  -7.729   0.408   0.408
  301   1HH2  ARG  45          2HH1      ARG  45  -7.171   3.402   3.402
  302   2HH2  ARG  45          1HH1      ARG  45  -8.142   2.578   2.578
  303    H    LYS  46           H        LYS  46  -5.264  -3.108  -3.108
  304    HA   LYS  46           HA       LYS  46  -6.857  -5.345  -5.345
  305   1HB   LYS  46          2HB       LYS  46  -6.219  -3.981  -3.981
  306   2HB   LYS  46          1HB       LYS  46  -7.933  -3.599  -3.599
  307   1HG   LYS  46          2HG       LYS  46  -8.503  -5.958  -5.958
  308   2HG   LYS  46          1HG       LYS  46  -6.797  -6.407  -6.407
  309   1HD   LYS  46          2HD       LYS  46  -6.563  -6.104  -6.104
  310   2HD   LYS  46          1HD       LYS  46  -7.609  -4.683  -4.683
  311   1HE   LYS  46          2HE       LYS  46  -9.262  -6.881  -6.881
  312   2HE   LYS  46          1HE       LYS  46  -8.263  -7.405  -7.405
  313   1HZ   LYS  46          3HZ       LYS  46  -9.155  -4.753  -4.753
  314   2HZ   LYS  46          2HZ       LYS  46 -10.485  -5.761  -5.761
  315   3HZ   LYS  46          1HZ       LYS  46  -9.424  -6.126  -6.126
  316    H    LYS  47           H        LYS  47  -8.065  -4.925  -4.925
  317    HA   LYS  47           HA       LYS  47  -9.831  -4.030  -4.030
  318   1HB   LYS  47          2HB       LYS  47 -11.226  -4.022  -4.022
  319   2HB   LYS  47          1HB       LYS  47 -11.967  -4.210  -4.210
  320   1HG   LYS  47          2HG       LYS  47 -10.049  -6.215  -6.215
  321   2HG   LYS  47          1HG       LYS  47 -10.672  -6.216  -6.216
  322   1HD   LYS  47          2HD       LYS  47 -12.903  -5.917  -5.917
  323   2HD   LYS  47          1HD       LYS  47 -11.921  -7.239  -7.239
  324   1HE   LYS  47          2HE       LYS  47 -12.857  -8.548  -8.548
  325   2HE   LYS  47          1HE       LYS  47 -11.922  -7.637  -7.637
  326   1HZ   LYS  47          2HZ       LYS  47 -14.281  -6.256  -6.256
  327   2HZ   LYS  47          1HZ       LYS  47 -14.635  -7.758  -7.758
  328   3HZ   LYS  47          3HZ       LYS  47 -13.736  -6.603  -6.603
  329    H    LYS  48           H        LYS  48  -9.034  -1.950  -1.950
  330    HA   LYS  48           HA       LYS  48  -8.825   0.397   0.397
  331   1HB   LYS  48          2HB       LYS  48 -11.591   0.224   0.224
  332   2HB   LYS  48          1HB       LYS  48 -10.931   1.499   1.499
  333   1HG   LYS  48          2HG       LYS  48 -10.611  -0.784  -0.784
  334   2HG   LYS  48          1HG       LYS  48 -12.170  -1.043  -1.043
  335   1HD   LYS  48          2HD       LYS  48 -11.476   1.581   1.581
  336   2HD   LYS  48          1HD       LYS  48 -12.199   0.247   0.247
  337   1HE   LYS  48          2HE       LYS  48 -14.009   0.197   0.197
  338   2HE   LYS  48          1HE       LYS  48 -13.365   1.745   1.745
  339   1HZ   LYS  48          3HZ       LYS  48 -13.623   1.946   1.946
  340   2HZ   LYS  48          2HZ       LYS  48 -15.050   1.193   1.193
  341   3HZ   LYS  48          1HZ       LYS  48 -14.589   2.695   2.695
  342   1H    NH2  49          1HT       LYS  48  -9.950   2.222   2.222
  343   2H    NH2  49          2HT       LYS  48  -9.245   1.918   1.918

  Start of MODEL   13
    1   1H    ALA   1          2H        ALA   1   3.387  -3.715  -3.715
    2   2H    ALA   1          1H        ALA   1   4.936  -4.374  -4.374
    3   3H    ALA   1          3H        ALA   1   3.973  -3.980  -3.980
    4    HA   ALA   1           HA       ALA   1   4.956  -2.009  -2.009
    5   1HB   ALA   1          1HB       ALA   1   6.194  -3.169  -3.169
    6   2HB   ALA   1          3HB       ALA   1   6.290  -1.414  -1.414
    7   3HB   ALA   1          2HB       ALA   1   6.958  -2.449  -2.449
    8    H    ALA   2           H        ALA   2   3.030  -0.803  -0.803
    9    HA   ALA   2           HA       ALA   2   1.270  -0.280  -0.280
   10   1HB   ALA   2          2HB       ALA   2   1.097   0.636   0.636
   11   2HB   ALA   2          1HB       ALA   2   2.310   1.842   1.842
   12   3HB   ALA   2          3HB       ALA   2   0.747   1.832   1.832
   13    H    CYS   3           H        CYS   3   1.352   0.811   0.811
   14    HA   CYS   3           HA       CYS   3   3.451   2.818   2.818
   15   1HB   CYS   3          2HB       CYS   3   4.381   1.662   1.662
   16   2HB   CYS   3          1HB       CYS   3   4.562   0.648   0.648
   17    H    LYS   4           H        LYS   4   2.937   4.156   4.156
   18    HA   LYS   4           HA       LYS   4   0.115   4.201   4.201
   19   1HB   LYS   4          2HB       LYS   4   2.475   5.929   5.929
   20   2HB   LYS   4          1HB       LYS   4   1.308   5.975   5.975
   21   1HG   LYS   4          2HG       LYS   4  -0.142   7.178   7.178
   22   2HG   LYS   4          1HG       LYS   4  -0.052   6.018   6.018
   23   1HD   LYS   4          2HD       LYS   4   0.742   8.104   8.104
   24   2HD   LYS   4          1HD       LYS   4   2.166   7.092   7.092
   25   1HE   LYS   4          2HE       LYS   4   1.489   8.601   8.601
   26   2HE   LYS   4          1HE       LYS   4   1.786   9.660   9.660
   27   1HZ   LYS   4          1HZ       LYS   4   3.826   8.190   8.190
   28   2HZ   LYS   4          3HZ       LYS   4   3.593   7.674   7.674
   29   3HZ   LYS   4          2HZ       LYS   4   3.879   9.316   9.316
   30    H    CYS   5           H        CYS   5  -0.061   4.806   4.806
   31    HA   CYS   5           HA       CYS   5   1.367   2.690   2.690
   32   1HB   CYS   5          2HB       CYS   5  -1.411   2.564   2.564
   33   2HB   CYS   5          1HB       CYS   5  -1.286   2.597   2.597
   34    H    ASP   6           H        ASP   6   0.490   2.913   2.913
   35    HA   ASP   6           HA       ASP   6   0.951   5.740   5.740
   36   1HB   ASP   6          2HB       ASP   6   1.917   3.562   3.562
   37   2HB   ASP   6          1HB       ASP   6   0.396   3.622   3.622
   38    H    ASP   7           H        ASP   7  -1.681   4.468   4.468
   39    HA   ASP   7           HA       ASP   7  -3.433   6.053   6.053
   40   1HB   ASP   7          2HB       ASP   7  -3.443   3.093   3.093
   41   2HB   ASP   7          1HB       ASP   7  -5.024   3.864   3.864
   42    H    GLU   8           H        GLU   8  -2.436   6.054   6.054
   43    HA   GLU   8           HA       GLU   8  -4.897   5.516   5.516
   44   1HB   GLU   8          2HB       GLU   8  -2.250   6.698   6.698
   45   2HB   GLU   8          1HB       GLU   8  -3.552   6.139   6.139
   46   1HG   GLU   8          2HG       GLU   8  -3.300   3.872   3.872
   47   2HG   GLU   8          1HG       GLU   8  -1.752   4.503   4.503
   48    H    GLY   9           H        GLY   9  -5.024   7.570   7.570
   49   1HA   GLY   9          2HA       GLY   9  -6.361   9.580   9.580
   50   2HA   GLY   9          1HA       GLY   9  -5.831   9.834   9.834
   51    HA   PRO  10           HA       PRO  10  -3.047  12.116  12.116
   52   1HB   PRO  10          2HB       PRO  10  -4.459  14.434  14.434
   53   2HB   PRO  10          1HB       PRO  10  -4.628  13.017  13.017
   54   1HG   PRO  10          2HG       PRO  10  -6.486  14.064  14.064
   55   2HG   PRO  10          1HG       PRO  10  -6.831  13.097  13.097
   56   1HD   PRO  10          2HD       PRO  10  -6.689  12.148  12.148
   57   2HD   PRO  10          1HD       PRO  10  -6.773  11.153  11.153
   58    H    ASP  11           H        ASP  11  -3.066  11.903  11.903
   59    HA   ASP  11           HA       ASP  11  -2.878  14.665  14.665
   60   1HB   ASP  11          2HB       ASP  11  -2.226  13.426  13.426
   61   2HB   ASP  11          1HB       ASP  11  -3.858  13.130  13.130
   62    H    ILE  12           H        ILE  12  -0.758  14.517  14.517
   63    HA   ILE  12           HA       ILE  12   1.648  13.430  13.430
   64    HB   ILE  12           HB       ILE  12   1.015  15.247  15.247
   65   1HG1  ILE  12          2HG1      ILE  12   3.313  14.279  14.279
   66   2HG1  ILE  12          1HG1      ILE  12   3.328  15.949  15.949
   67   1HG2  ILE  12          1HG2      ILE  12   0.286  16.865  16.865
   68   2HG2  ILE  12          3HG2      ILE  12   1.990  17.075  17.075
   69   3HG2  ILE  12          2HG2      ILE  12   1.399  17.543  17.543
   70   1HD1  ILE  12          2HD1      ILE  12   3.315  16.307  16.307
   71   2HD1  ILE  12          1HD1      ILE  12   4.255  14.823  14.823
   72   3HD1  ILE  12          3HD1      ILE  12   4.772  16.283  16.283
   73    H    ARG  13           H        ARG  13   0.131  15.964  15.964
   74    HA   ARG  13           HA       ARG  13   2.513  16.148  16.148
   75   1HB   ARG  13          2HB       ARG  13   0.983  17.762  17.762
   76   2HB   ARG  13          1HB       ARG  13   1.431  18.243  18.243
   77   1HG   ARG  13          2HG       ARG  13  -0.710  18.153  18.153
   78   2HG   ARG  13          1HG       ARG  13  -0.958  16.568  16.568
   79   1HD   ARG  13          2HD       ARG  13  -2.369  18.525  18.525
   80   2HD   ARG  13          1HD       ARG  13  -1.543  17.506  17.506
   81    HE   ARG  13           HE       ARG  13  -0.223  20.016  20.016
   82   1HH1  ARG  13          1HH2      ARG  13  -2.428  18.836  18.836
   83   2HH1  ARG  13          2HH2      ARG  13  -1.598  19.468  19.468
   84   1HH2  ARG  13          2HH1      ARG  13   1.175  20.504  20.504
   85   2HH2  ARG  13          1HH1      ARG  13   0.441  20.412  20.412
   86    H    THR  14           H        THR  14  -0.630  14.614  14.614
   87    HA   THR  14           HA       THR  14   0.087  13.144  13.144
   88    HB   THR  14           HB       THR  14  -2.507  13.632  13.632
   89    HG1  THR  14           HG1      THR  14  -2.934  15.784  15.784
   90   1HG2  THR  14          3HG2      THR  14  -0.100  15.327  15.327
   91   2HG2  THR  14          2HG2      THR  14  -1.632  15.352  15.352
   92   3HG2  THR  14          1HG2      THR  14  -0.659  13.882  13.882
   93    H    ALA  15           H        ALA  15  -1.238  11.203  11.203
   94    HA   ALA  15           HA       ALA  15  -3.178  10.491  10.491
   95   1HB   ALA  15          3HB       ALA  15  -0.383   9.877   9.877
   96   2HB   ALA  15          2HB       ALA  15  -1.303   8.384   8.384
   97   3HB   ALA  15          1HB       ALA  15  -1.749   9.547   9.547
   98    HA   PRO  16           HA       PRO  16  -4.324   7.835   7.835
   99   1HB   PRO  16          2HB       PRO  16  -6.168   6.344   6.344
  100   2HB   PRO  16          1HB       PRO  16  -6.448   8.020   8.020
  101   1HG   PRO  16          2HG       PRO  16  -5.895   6.924   6.924
  102   2HG   PRO  16          1HG       PRO  16  -6.754   8.400   8.400
  103   1HD   PRO  16          2HD       PRO  16  -4.081   8.228   8.228
  104   2HD   PRO  16          1HD       PRO  16  -4.867   9.666   9.666
  105    H    LEU  17           H        LEU  17  -2.216   6.934   6.934
  106    HA   LEU  17           HA       LEU  17  -1.116   4.949   4.949
  107   1HB   LEU  17          2HB       LEU  17  -1.679   4.675   4.675
  108   2HB   LEU  17          1HB       LEU  17  -0.701   3.499   3.499
  109    HG   LEU  17           HG       LEU  17  -0.148   6.455   6.455
  110   1HD1  LEU  17          3HD1      LEU  17   0.478   4.494   4.494
  111   2HD1  LEU  17          2HD1      LEU  17   1.786   4.234   4.234
  112   3HD1  LEU  17          1HD1      LEU  17   1.622   5.792   5.792
  113   1HD2  LEU  17          1HD2      LEU  17   0.915   4.449   4.449
  114   2HD2  LEU  17          3HD2      LEU  17   0.544   6.156   6.156
  115   3HD2  LEU  17          2HD2      LEU  17   2.000   5.685   5.685
  116    H    THR  18           H        THR  18  -3.182   4.417   4.417
  117    HA   THR  18           HA       THR  18  -4.847   2.300   2.300
  118    HB   THR  18           HB       THR  18  -5.919   3.917   3.917
  119    HG1  THR  18           HG1      THR  18  -6.637   2.320   2.320
  120   1HG2  THR  18          1HG2      THR  18  -3.841   2.941   2.941
  121   2HG2  THR  18          3HG2      THR  18  -5.286   3.824   3.824
  122   3HG2  THR  18          2HG2      THR  18  -4.101   4.591   4.591
  123    H    GLY  19           H        GLY  19  -1.809   2.164   2.164
  124   1HA   GLY  19          2HA       GLY  19  -2.033  -0.277  -0.277
  125   2HA   GLY  19          1HA       GLY  19  -0.567   0.688   0.688
  126    H    THR  20           H        THR  20  -0.374  -2.027  -2.027
  127    HA   THR  20           HA       THR  20   0.320  -2.093  -2.093
  128    HB   THR  20           HB       THR  20  -1.525  -4.131  -4.131
  129    HG1  THR  20           HG1      THR  20  -1.923  -2.421  -2.421
  130   1HG2  THR  20          2HG2      THR  20  -0.171  -4.029  -4.029
  131   2HG2  THR  20          1HG2      THR  20  -1.535  -5.087  -5.087
  132   3HG2  THR  20          3HG2      THR  20  -0.012  -5.282  -5.282
  133    H    VAL  21           H        VAL  21   2.419  -2.722  -2.722
  134    HA   VAL  21           HA       VAL  21   3.594  -4.076  -4.076
  135    HB   VAL  21           HB       VAL  21   4.570  -3.568  -3.568
  136   1HG1  VAL  21          2HG1      VAL  21   5.587  -5.395  -5.395
  137   2HG1  VAL  21          1HG1      VAL  21   6.759  -4.124  -4.124
  138   3HG1  VAL  21          3HG1      VAL  21   6.145  -5.142  -5.142
  139   1HG2  VAL  21          1HG2      VAL  21   4.258  -1.670  -1.670
  140   2HG2  VAL  21          3HG2      VAL  21   5.883  -1.841  -1.841
  141   3HG2  VAL  21          2HG2      VAL  21   5.526  -2.433  -2.433
  142    H    ASP  22           H        ASP  22   3.380  -6.200  -6.200
  143    HA   ASP  22           HA       ASP  22   2.865  -8.093  -8.093
  144   1HB   ASP  22          2HB       ASP  22   1.217  -7.630  -7.630
  145   2HB   ASP  22          1HB       ASP  22   2.190  -8.969  -8.969
  146    H    LEU  23           H        LEU  23   5.080  -8.582  -8.582
  147    HA   LEU  23           HA       LEU  23   7.119  -9.040  -9.040
  148   1HB   LEU  23          2HB       LEU  23   6.410 -10.238 -10.238
  149   2HB   LEU  23          1HB       LEU  23   7.644 -11.068 -11.068
  150    HG   LEU  23           HG       LEU  23   8.545  -9.303  -9.303
  151   1HD1  LEU  23          2HD1      LEU  23   9.403 -10.046 -10.046
  152   2HD1  LEU  23          1HD1      LEU  23   9.183  -8.318  -8.318
  153   3HD1  LEU  23          3HD1      LEU  23  10.264  -8.880  -8.880
  154   1HD2  LEU  23          1HD2      LEU  23   6.639  -7.714  -7.714
  155   2HD2  LEU  23          3HD2      LEU  23   8.218  -6.964  -6.964
  156   3HD2  LEU  23          2HD2      LEU  23   7.242  -7.422  -7.422
  157    H    GLY  24           H        GLY  24   6.455  -9.948  -9.948
  158   1HA   GLY  24          2HA       GLY  24   6.753 -12.385 -12.385
  159   2HA   GLY  24          1HA       GLY  24   5.316 -12.703 -12.703
  160    H    SER  25           H        SER  25   3.514 -10.915 -10.915
  161    HA   SER  25           HA       SER  25   3.229  -9.570  -9.570
  162   1HB   SER  25          2HB       SER  25   1.949 -11.426 -11.426
  163   2HB   SER  25          1HB       SER  25   3.709 -11.397 -11.397
  164    HG   SER  25           HG       SER  25   1.991 -13.068 -13.068
  165    H    CYS  26           H        CYS  26   0.969  -9.056  -9.056
  166    HA   CYS  26           HA       CYS  26  -0.704  -8.676  -8.676
  167   1HB   CYS  26          2HB       CYS  26  -1.565  -9.284  -9.284
  168   2HB   CYS  26          1HB       CYS  26  -2.586  -8.542  -8.542
  169    H    ASN  27           H        ASN  27  -2.608  -9.817  -9.817
  170    HA   ASN  27           HA       ASN  27  -2.547 -12.752 -12.752
  171   1HB   ASN  27          2HB       ASN  27  -1.832 -11.593 -11.593
  172   2HB   ASN  27          1HB       ASN  27  -3.534 -11.973 -11.973
  173   1HD2  ASN  27          2HD2      ASN  27  -2.075 -15.133 -15.133
  174   2HD2  ASN  27          1HD2      ASN  27  -2.528 -13.625 -13.625
  175    H    ALA  28           H        ALA  28  -4.742 -13.714 -13.714
  176    HA   ALA  28           HA       ALA  28  -6.878 -12.724 -12.724
  177   1HB   ALA  28          2HB       ALA  28  -6.460 -14.891 -14.891
  178   2HB   ALA  28          1HB       ALA  28  -7.857 -14.030 -14.030
  179   3HB   ALA  28          3HB       ALA  28  -7.871 -14.611 -14.611
  180    H    GLY  29           H        GLY  29  -8.240 -11.020 -11.020
  181   1HA   GLY  29          2HA       GLY  29  -9.657  -9.582  -9.582
  182   2HA   GLY  29          1HA       GLY  29  -8.699  -9.995  -9.995
  183    H    TRP  30           H        TRP  30  -6.631  -9.403  -9.403
  184    HA   TRP  30           HA       TRP  30  -6.409  -6.507  -6.507
  185   1HB   TRP  30          2HB       TRP  30  -4.205  -8.578  -8.578
  186   2HB   TRP  30          1HB       TRP  30  -3.893  -6.841  -6.841
  187    HD1  TRP  30           HD1      TRP  30  -5.092  -9.643  -9.643
  188    HE1  TRP  30           HE1      TRP  30  -5.111  -8.790  -8.790
  189    HE3  TRP  30           HE3      TRP  30  -4.118  -4.692  -4.692
  190    HZ2  TRP  30           HZ2      TRP  30  -4.759  -6.333  -6.333
  191    HZ3  TRP  30           HZ3      TRP  30  -3.965  -3.120  -3.120
  192    HH2  TRP  30           HH2      TRP  30  -4.285  -3.933  -3.933
  193    H    GLU  31           H        GLU  31  -6.422  -5.253  -5.253
  194    HA   GLU  31           HA       GLU  31  -5.947  -6.586  -6.586
  195   1HB   GLU  31          2HB       GLU  31  -7.016  -4.433  -4.433
  196   2HB   GLU  31          1HB       GLU  31  -8.073  -5.501  -5.501
  197   1HG   GLU  31          2HG       GLU  31  -8.198  -4.061  -4.061
  198   2HG   GLU  31          1HG       GLU  31  -6.564  -3.445  -3.445
  199    H    LYS  32           H        LYS  32  -3.810  -6.403  -6.403
  200    HA   LYS  32           HA       LYS  32  -1.894  -4.627  -4.627
  201   1HB   LYS  32          2HB       LYS  32  -1.811  -6.564  -6.564
  202   2HB   LYS  32          1HB       LYS  32  -1.902  -5.199  -5.199
  203   1HG   LYS  32          2HG       LYS  32   0.121  -4.282  -4.282
  204   2HG   LYS  32          1HG       LYS  32   0.059  -5.160  -5.160
  205   1HD   LYS  32          2HD       LYS  32   0.235  -7.298  -7.298
  206   2HD   LYS  32          1HD       LYS  32   0.751  -6.217  -6.217
  207   1HE   LYS  32          2HE       LYS  32   2.817  -6.632  -6.632
  208   2HE   LYS  32          1HE       LYS  32   2.342  -5.306  -5.306
  209   1HZ   LYS  32          1HZ       LYS  32   1.634  -8.089  -8.089
  210   2HZ   LYS  32          3HZ       LYS  32   3.170  -7.480  -7.480
  211   3HZ   LYS  32          2HZ       LYS  32   1.782  -6.748  -6.748
  212    H    CYS  33           H        CYS  33  -1.541  -2.459  -2.459
  213    HA   CYS  33           HA       CYS  33  -3.205  -0.976  -0.976
  214   1HB   CYS  33          2HB       CYS  33  -2.816   0.978   0.978
  215   2HB   CYS  33          1HB       CYS  33  -3.963  -0.275  -0.275
  216    H    ALA  34           H        ALA  34  -0.076  -1.903  -1.903
  217    HA   ALA  34           HA       ALA  34   1.009   0.242   0.242
  218   1HB   ALA  34          2HB       ALA  34   2.161  -0.625  -0.625
  219   2HB   ALA  34          1HB       ALA  34   3.026   0.368   0.368
  220   3HB   ALA  34          3HB       ALA  34   1.553   0.977   0.977
  221    H    SER  35           H        SER  35   2.180  -0.672  -0.672
  222    HA   SER  35           HA       SER  35   2.486  -3.379  -3.379
  223   1HB   SER  35          2HB       SER  35   3.172  -1.302  -1.302
  224   2HB   SER  35          1HB       SER  35   4.752  -1.526  -1.526
  225    HG   SER  35           HG       SER  35   5.036  -3.086  -3.086
  226    H    TYR  36           H        TYR  36   5.057  -1.330  -1.330
  227    HA   TYR  36           HA       TYR  36   5.978  -3.764  -3.764
  228   1HB   TYR  36          2HB       TYR  36   7.399  -2.763  -2.763
  229   2HB   TYR  36          1HB       TYR  36   7.971  -1.682  -1.682
  230    HD1  TYR  36           HD1      TYR  36   7.009  -5.311  -5.311
  231    HD2  TYR  36           HD2      TYR  36  10.054  -2.390  -2.390
  232    HE1  TYR  36           HE1      TYR  36   8.499  -7.099  -7.099
  233    HE2  TYR  36           HE2      TYR  36  11.545  -4.179  -4.179
  234    HH   TYR  36           HH       TYR  36  10.532  -7.595  -7.595
  235    H    TYR  37           H        TYR  37   8.129  -2.068  -2.068
  236    HA   TYR  37           HA       TYR  37   7.106   0.206   0.206
  237   1HB   TYR  37          2HB       TYR  37   5.383  -1.221  -1.221
  238   2HB   TYR  37          1HB       TYR  37   6.589  -2.395  -2.395
  239    HD1  TYR  37           HD2      TYR  37   6.624   1.342   1.342
  240    HD2  TYR  37           HD1      TYR  37   6.553  -2.357  -2.357
  241    HE1  TYR  37           HE2      TYR  37   6.913   2.589   2.589
  242    HE2  TYR  37           HE1      TYR  37   6.843  -1.110  -1.110
  243    HH   TYR  37           HH       TYR  37   6.753   2.414   2.414
  244    H    THR  38           H        THR  38   8.376  -2.356  -2.356
  245    HA   THR  38           HA       THR  38  10.901  -0.826  -0.826
  246    HB   THR  38           HB       THR  38  10.732  -3.253  -3.253
  247    HG1  THR  38           HG1      THR  38   8.972  -2.223  -2.223
  248   1HG2  THR  38          1HG2      THR  38  11.183  -0.324  -0.324
  249   2HG2  THR  38          3HG2      THR  38  10.723  -1.255  -1.255
  250   3HG2  THR  38          2HG2      THR  38  12.178  -1.684  -1.684
  251    H    ILE  39           H        ILE  39  12.881  -2.459  -2.459
  252    HA   ILE  39           HA       ILE  39  13.632  -3.538  -3.538
  253    HB   ILE  39           HB       ILE  39  14.426  -4.363  -4.363
  254   1HG1  ILE  39          2HG1      ILE  39  15.838  -2.752  -2.752
  255   2HG1  ILE  39          1HG1      ILE  39  15.012  -2.065  -2.065
  256   1HG2  ILE  39          2HG2      ILE  39  14.924  -5.708  -5.708
  257   2HG2  ILE  39          1HG2      ILE  39  16.436  -5.074  -5.074
  258   3HG2  ILE  39          3HG2      ILE  39  15.446  -6.164  -6.164
  259   1HD1  ILE  39          1HD1      ILE  39  16.918  -4.173  -4.173
  260   2HD1  ILE  39          3HD1      ILE  39  17.680  -2.799  -2.799
  261   3HD1  ILE  39          2HD1      ILE  39  16.734  -2.551  -2.551
  262    H    ILE  40           H        ILE  40  12.307  -5.400  -5.400
  263    HA   ILE  40           HA       ILE  40  11.344  -7.404  -7.404
  264    HB   ILE  40           HB       ILE  40  13.081  -8.487  -8.487
  265   1HG1  ILE  40          2HG1      ILE  40  10.701  -9.579  -9.579
  266   2HG1  ILE  40          1HG1      ILE  40  11.943 -10.304 -10.304
  267   1HG2  ILE  40          1HG2      ILE  40  11.847  -7.271  -7.271
  268   2HG2  ILE  40          3HG2      ILE  40  13.171  -8.436  -8.436
  269   3HG2  ILE  40          2HG2      ILE  40  13.400  -6.848  -6.848
  270   1HD1  ILE  40          3HD1      ILE  40  10.478  -8.209  -8.209
  271   2HD1  ILE  40          2HD1      ILE  40   9.408  -9.484  -9.484
  272   3HD1  ILE  40          1HD1      ILE  40  10.766  -9.884  -9.884
  273    H    ALA  41           H        ALA  41  10.510  -5.202  -5.202
  274    HA   ALA  41           HA       ALA  41   8.112  -6.598  -6.598
  275   1HB   ALA  41          1HB       ALA  41   9.567  -4.187  -4.187
  276   2HB   ALA  41          3HB       ALA  41   7.840  -3.854  -3.854
  277   3HB   ALA  41          2HB       ALA  41   8.414  -5.104  -5.104
  278    H    ASP  42           H        ASP  42   5.945  -5.342  -5.342
  279    HA   ASP  42           HA       ASP  42   5.710  -4.049  -4.049
  280   1HB   ASP  42          2HB       ASP  42   3.521  -5.494  -5.494
  281   2HB   ASP  42          1HB       ASP  42   5.070  -6.200  -6.200
  282    H    CYS  43           H        CYS  43   3.007  -3.694  -3.694
  283    HA   CYS  43           HA       CYS  43   2.141  -2.612  -2.612
  284   1HB   CYS  43          2HB       CYS  43   2.744  -0.966  -0.966
  285   2HB   CYS  43          1HB       CYS  43   1.552  -0.427  -0.427
  286    H    CYS  44           H        CYS  44   0.167  -3.577  -3.577
  287    HA   CYS  44           HA       CYS  44  -1.542  -3.661  -3.661
  288   1HB   CYS  44          2HB       CYS  44  -1.838  -5.378  -5.378
  289   2HB   CYS  44          1HB       CYS  44  -2.609  -5.609  -5.609
  290    H    ARG  45           H        ARG  45  -3.875  -3.312  -3.312
  291    HA   ARG  45           HA       ARG  45  -4.337  -1.488  -1.488
  292   1HB   ARG  45          2HB       ARG  45  -4.452  -0.554  -0.554
  293   2HB   ARG  45          1HB       ARG  45  -5.941  -1.486  -1.486
  294   1HG   ARG  45          2HG       ARG  45  -6.211  -0.192  -0.192
  295   2HG   ARG  45          1HG       ARG  45  -5.481   1.023   1.023
  296   1HD   ARG  45          2HD       ARG  45  -7.814  -0.620  -0.620
  297   2HD   ARG  45          1HD       ARG  45  -8.076   0.817   0.817
  298    HE   ARG  45           HE       ARG  45  -6.345   1.620   1.620
  299   1HH1  ARG  45          1HH2      ARG  45  -9.534   1.787   1.787
  300   2HH1  ARG  45          2HH2      ARG  45 -10.138   1.825   1.825
  301   1HH2  ARG  45          2HH1      ARG  45  -7.091   1.000   1.000
  302   2HH2  ARG  45          1HH1      ARG  45  -8.756   1.380   1.380
  303    H    LYS  46           H        LYS  46  -5.372  -2.726  -2.726
  304    HA   LYS  46           HA       LYS  46  -6.858  -5.037  -5.037
  305   1HB   LYS  46          2HB       LYS  46  -6.350  -3.390  -3.390
  306   2HB   LYS  46          1HB       LYS  46  -8.065  -3.061  -3.061
  307   1HG   LYS  46          2HG       LYS  46  -8.475  -5.542  -5.542
  308   2HG   LYS  46          1HG       LYS  46  -6.782  -5.768  -5.768
  309   1HD   LYS  46          2HD       LYS  46  -7.082  -4.944  -4.944
  310   2HD   LYS  46          1HD       LYS  46  -8.364  -3.838  -3.838
  311   1HE   LYS  46          2HE       LYS  46  -9.970  -5.623  -5.623
  312   2HE   LYS  46          1HE       LYS  46  -8.713  -6.845  -6.845
  313   1HZ   LYS  46          2HZ       LYS  46  -8.463  -5.113  -5.113
  314   2HZ   LYS  46          1HZ       LYS  46 -10.129  -5.404  -5.404
  315   3HZ   LYS  46          3HZ       LYS  46  -9.058  -6.705  -6.705
  316    H    LYS  47           H        LYS  47  -8.157  -5.105  -5.105
  317    HA   LYS  47           HA       LYS  47 -10.046  -4.695  -4.695
  318   1HB   LYS  47          2HB       LYS  47 -11.294  -3.629  -3.629
  319   2HB   LYS  47          1HB       LYS  47 -12.100  -4.422  -4.422
  320   1HG   LYS  47          2HG       LYS  47  -9.978  -6.081  -6.081
  321   2HG   LYS  47          1HG       LYS  47 -11.195  -5.668  -5.668
  322   1HD   LYS  47          2HD       LYS  47 -12.780  -6.259  -6.259
  323   2HD   LYS  47          1HD       LYS  47 -11.432  -7.365  -7.365
  324   1HE   LYS  47          2HE       LYS  47 -11.763  -8.468  -8.468
  325   2HE   LYS  47          1HE       LYS  47 -12.674  -7.123  -7.123
  326   1HZ   LYS  47          2HZ       LYS  47 -14.349  -7.614  -7.614
  327   2HZ   LYS  47          1HZ       LYS  47 -13.550  -9.102  -9.102
  328   3HZ   LYS  47          3HZ       LYS  47 -14.276  -8.705  -8.705
  329    H    LYS  48           H        LYS  48 -11.654  -2.858  -2.858
  330    HA   LYS  48           HA       LYS  48 -10.081  -0.353  -0.353
  331   1HB   LYS  48          2HB       LYS  48 -11.680   0.327   0.327
  332   2HB   LYS  48          1HB       LYS  48 -11.060  -1.285  -1.285
  333   1HG   LYS  48          2HG       LYS  48 -13.171  -2.025  -2.025
  334   2HG   LYS  48          1HG       LYS  48 -13.785  -0.461  -0.461
  335   1HD   LYS  48          2HD       LYS  48 -12.900  -1.296  -1.296
  336   2HD   LYS  48          1HD       LYS  48 -13.104  -2.885  -2.885
  337   1HE   LYS  48          2HE       LYS  48 -15.316  -0.867  -0.867
  338   2HE   LYS  48          1HE       LYS  48 -15.121  -1.770  -1.770
  339   1HZ   LYS  48          1HZ       LYS  48 -14.875  -3.660  -3.660
  340   2HZ   LYS  48          3HZ       LYS  48 -16.103  -2.653  -2.653
  341   3HZ   LYS  48          2HZ       LYS  48 -16.263  -3.370  -3.370
  342   1H    NH2  49          1HT       LYS  48 -12.539   1.312   1.312
  343   2H    NH2  49          2HT       LYS  48 -13.196   1.528   1.528

  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1   4.289  -2.361  -2.361
    2   2H    ALA   1          3H        ALA   1   5.857  -2.418  -2.418
    3   3H    ALA   1          2H        ALA   1   4.763  -1.236  -1.236
    4    HA   ALA   1           HA       ALA   1   6.129  -0.067  -0.067
    5   1HB   ALA   1          3HB       ALA   1   7.068  -2.317  -2.317
    6   2HB   ALA   1          2HB       ALA   1   5.795  -2.193  -2.193
    7   3HB   ALA   1          1HB       ALA   1   7.030  -0.940  -0.940
    8    H    ALA   2           H        ALA   2   4.021   1.050   1.050
    9    HA   ALA   2           HA       ALA   2   1.696   0.651   0.651
   10   1HB   ALA   2          2HB       ALA   2   2.340   2.529   2.529
   11   2HB   ALA   2          1HB       ALA   2   2.795   3.437   3.437
   12   3HB   ALA   2          3HB       ALA   2   1.136   2.872   2.872
   13    H    CYS   3           H        CYS   3   0.959   1.939   1.939
   14    HA   CYS   3           HA       CYS   3   3.118   2.638   2.638
   15   1HB   CYS   3          2HB       CYS   3   2.900   0.274   0.274
   16   2HB   CYS   3          1HB       CYS   3   1.141   0.390   0.390
   17    H    LYS   4           H        LYS   4   2.241   3.743   3.743
   18    HA   LYS   4           HA       LYS   4  -0.465   4.901   4.901
   19   1HB   LYS   4          2HB       LYS   4   2.067   6.165   6.165
   20   2HB   LYS   4          1HB       LYS   4   1.033   6.545   6.545
   21   1HG   LYS   4          2HG       LYS   4  -0.588   7.582   7.582
   22   2HG   LYS   4          1HG       LYS   4  -0.064   6.743   6.743
   23   1HD   LYS   4          2HD       LYS   4   0.623   9.118   9.118
   24   2HD   LYS   4          1HD       LYS   4   2.025   8.047   8.047
   25   1HE   LYS   4          2HE       LYS   4   2.088   8.330   8.330
   26   2HE   LYS   4          1HE       LYS   4   0.838   9.562   9.562
   27   1HZ   LYS   4          3HZ       LYS   4   3.436   9.649   9.649
   28   2HZ   LYS   4          2HZ       LYS   4   3.146  10.437  10.437
   29   3HZ   LYS   4          1HZ       LYS   4   2.271  10.879  10.879
   30    H    CYS   5           H        CYS   5  -1.973   4.428   4.428
   31    HA   CYS   5           HA       CYS   5  -1.531   2.770   2.770
   32   1HB   CYS   5          2HB       CYS   5  -3.716   4.357   4.357
   33   2HB   CYS   5          1HB       CYS   5  -3.682   4.445   4.445
   34    H    ASP   6           H        ASP   6  -1.403   3.257   3.257
   35    HA   ASP   6           HA       ASP   6   0.383   5.412   5.412
   36   1HB   ASP   6          2HB       ASP   6   0.396   3.434   3.434
   37   2HB   ASP   6          1HB       ASP   6  -1.320   3.618   3.618
   38    H    ASP   7           H        ASP   7  -3.123   5.059   5.059
   39    HA   ASP   7           HA       ASP   7  -3.641   7.393   7.393
   40   1HB   ASP   7          2HB       ASP   7  -5.187   5.387   5.387
   41   2HB   ASP   7          1HB       ASP   7  -5.633   6.754   6.754
   42    H    GLU   8           H        GLU   8  -2.662   6.977   6.977
   43    HA   GLU   8           HA       GLU   8  -3.129   9.898   9.898
   44   1HB   GLU   8          2HB       GLU   8  -3.056   9.084   9.084
   45   2HB   GLU   8          1HB       GLU   8  -4.551   8.949   8.949
   46   1HG   GLU   8          2HG       GLU   8  -3.879   6.604   6.604
   47   2HG   GLU   8          1HG       GLU   8  -2.514   6.759   6.759
   48    H    GLY   9           H        GLY   9  -0.790   7.893   7.893
   49   1HA   GLY   9          2HA       GLY   9   1.266   7.897   7.897
   50   2HA   GLY   9          1HA       GLY   9   1.552   8.126   8.126
   51    HA   PRO  10           HA       PRO  10   2.696  12.305  12.305
   52   1HB   PRO  10          2HB       PRO  10   1.988  13.437  13.437
   53   2HB   PRO  10          1HB       PRO  10   3.365  12.341  12.341
   54   1HG   PRO  10          2HG       PRO  10   0.724  11.842  11.842
   55   2HG   PRO  10          1HG       PRO  10   2.284  11.069  11.069
   56   1HD   PRO  10          2HD       PRO  10   0.149   9.995   9.995
   57   2HD   PRO  10          1HD       PRO  10   1.806   9.352   9.352
   58    H    ASP  11           H        ASP  11   0.100  11.712  11.712
   59    HA   ASP  11           HA       ASP  11  -1.819  13.716  13.716
   60   1HB   ASP  11          2HB       ASP  11  -1.683  11.590  11.590
   61   2HB   ASP  11          1HB       ASP  11  -2.564  13.019  13.019
   62    H    ILE  12           H        ILE  12  -1.734  15.845  15.845
   63    HA   ILE  12           HA       ILE  12   0.111  16.701  16.701
   64    HB   ILE  12           HB       ILE  12   0.189  17.737  17.737
   65   1HG1  ILE  12          2HG1      ILE  12  -0.447  19.594  19.594
   66   2HG1  ILE  12          1HG1      ILE  12   1.124  18.847  18.847
   67   1HG2  ILE  12          1HG2      ILE  12  -2.438  18.910  18.910
   68   2HG2  ILE  12          3HG2      ILE  12  -1.553  19.450  19.450
   69   3HG2  ILE  12          2HG2      ILE  12  -2.227  17.821  17.821
   70   1HD1  ILE  12          2HD1      ILE  12  -0.238  20.504  20.504
   71   2HD1  ILE  12          1HD1      ILE  12   0.751  21.260  21.260
   72   3HD1  ILE  12          3HD1      ILE  12   1.471  20.089  20.089
   73    H    ARG  13           H        ARG  13  -3.190  16.123  16.123
   74    HA   ARG  13           HA       ARG  13  -4.095  18.167  18.167
   75   1HB   ARG  13          2HB       ARG  13  -5.355  16.389  16.389
   76   2HB   ARG  13          1HB       ARG  13  -6.254  16.518  16.518
   77   1HG   ARG  13          2HG       ARG  13  -6.905  18.626  18.626
   78   2HG   ARG  13          1HG       ARG  13  -5.258  19.111  19.111
   79   1HD   ARG  13          2HD       ARG  13  -5.625  17.824  17.824
   80   2HD   ARG  13          1HD       ARG  13  -7.339  17.874  17.874
   81    HE   ARG  13           HE       ARG  13  -5.699  20.363  20.363
   82   1HH1  ARG  13          1HH2      ARG  13  -8.771  19.450  19.450
   83   2HH1  ARG  13          2HH2      ARG  13  -9.552  20.277  20.277
   84   1HH2  ARG  13          2HH1      ARG  13  -6.593  21.017  21.017
   85   2HH2  ARG  13          1HH1      ARG  13  -8.319  21.164  21.164
   86    H    THR  14           H        THR  14  -4.488  14.608  14.608
   87    HA   THR  14           HA       THR  14  -3.790  14.374  14.374
   88    HB   THR  14           HB       THR  14  -6.182  14.723  14.723
   89    HG1  THR  14           HG1      THR  14  -6.778  12.704  12.704
   90   1HG2  THR  14          3HG2      THR  14  -6.132  13.241  13.241
   91   2HG2  THR  14          2HG2      THR  14  -7.329  12.579  12.579
   92   3HG2  THR  14          1HG2      THR  14  -7.398  14.280  14.280
   93    H    ALA  15           H        ALA  15  -3.500  12.061  12.061
   94    HA   ALA  15           HA       ALA  15  -3.553   9.995   9.995
   95   1HB   ALA  15          2HB       ALA  15  -1.567  11.440  11.440
   96   2HB   ALA  15          1HB       ALA  15  -0.791  10.932  10.932
   97   3HB   ALA  15          3HB       ALA  15  -1.210   9.736   9.736
   98    HA   PRO  16           HA       PRO  16  -3.383   8.418   8.418
   99   1HB   PRO  16          2HB       PRO  16  -5.496   6.720   6.720
  100   2HB   PRO  16          1HB       PRO  16  -5.682   8.428   8.428
  101   1HG   PRO  16          2HG       PRO  16  -6.209   7.066   7.066
  102   2HG   PRO  16          1HG       PRO  16  -6.901   8.561   8.561
  103   1HD   PRO  16          2HD       PRO  16  -4.844   8.345   8.345
  104   2HD   PRO  16          1HD       PRO  16  -5.392   9.833   9.833
  105    H    LEU  17           H        LEU  17  -2.133   7.401   7.401
  106    HA   LEU  17           HA       LEU  17  -1.174   5.423   5.423
  107   1HB   LEU  17          2HB       LEU  17  -0.761   5.438   5.438
  108   2HB   LEU  17          1HB       LEU  17  -0.237   4.034   4.034
  109    HG   LEU  17           HG       LEU  17   1.054   5.558   5.558
  110   1HD1  LEU  17          1HD1      LEU  17   0.220   7.638   7.638
  111   2HD1  LEU  17          3HD1      LEU  17   1.419   7.890   7.890
  112   3HD1  LEU  17          2HD1      LEU  17  -0.266   7.596   7.596
  113   1HD2  LEU  17          3HD2      LEU  17   1.619   4.808   4.808
  114   2HD2  LEU  17          2HD2      LEU  17   2.767   5.087   5.087
  115   3HD2  LEU  17          1HD2      LEU  17   2.291   6.419   6.419
  116    H    THR  18           H        THR  18  -3.483   4.776   4.776
  117    HA   THR  18           HA       THR  18  -4.805   2.801   2.801
  118    HB   THR  18           HB       THR  18  -6.398   2.598   2.598
  119    HG1  THR  18           HG1      THR  18  -5.926   3.750   3.750
  120   1HG2  THR  18          1HG2      THR  18  -5.659   5.059   5.059
  121   2HG2  THR  18          3HG2      THR  18  -6.116   5.414   5.414
  122   3HG2  THR  18          2HG2      THR  18  -7.247   4.580   4.580
  123    H    GLY  19           H        GLY  19  -2.019   2.608   2.608
  124   1HA   GLY  19          2HA       GLY  19  -2.535  -0.119  -0.119
  125   2HA   GLY  19          1HA       GLY  19  -1.112   0.864   0.864
  126    H    THR  20           H        THR  20  -0.930  -1.825  -1.825
  127    HA   THR  20           HA       THR  20   0.593  -1.378  -1.378
  128    HB   THR  20           HB       THR  20  -1.131  -3.823  -3.823
  129    HG1  THR  20           HG1      THR  20  -2.760  -2.577  -2.577
  130   1HG2  THR  20          1HG2      THR  20  -0.012  -2.021  -2.021
  131   2HG2  THR  20          3HG2      THR  20  -1.140  -3.334  -3.334
  132   3HG2  THR  20          2HG2      THR  20   0.446  -3.688  -3.688
  133    H    VAL  21           H        VAL  21   2.520  -2.447  -2.447
  134    HA   VAL  21           HA       VAL  21   3.152  -4.020  -4.020
  135    HB   VAL  21           HB       VAL  21   4.723  -3.538  -3.538
  136   1HG1  VAL  21          2HG1      VAL  21   5.264  -5.087  -5.087
  137   2HG1  VAL  21          1HG1      VAL  21   6.581  -4.088  -4.088
  138   3HG1  VAL  21          3HG1      VAL  21   5.873  -5.338  -5.338
  139   1HG2  VAL  21          3HG2      VAL  21   4.154  -1.525  -1.525
  140   2HG2  VAL  21          2HG2      VAL  21   5.884  -1.842  -1.842
  141   3HG2  VAL  21          1HG2      VAL  21   5.007  -2.288  -2.288
  142    H    ASP  22           H        ASP  22   2.875  -6.187  -6.187
  143    HA   ASP  22           HA       ASP  22   2.222  -7.767  -7.767
  144   1HB   ASP  22          2HB       ASP  22   1.224  -7.732  -7.732
  145   2HB   ASP  22          1HB       ASP  22   1.836  -9.339  -9.339
  146    H    LEU  23           H        LEU  23   4.230  -8.390  -8.390
  147    HA   LEU  23           HA       LEU  23   6.578  -8.983  -8.983
  148   1HB   LEU  23          2HB       LEU  23   5.364  -9.840  -9.840
  149   2HB   LEU  23          1HB       LEU  23   6.560 -10.966 -10.966
  150    HG   LEU  23           HG       LEU  23   7.598  -9.251  -9.251
  151   1HD1  LEU  23          1HD1      LEU  23   8.297  -9.834  -9.834
  152   2HD1  LEU  23          3HD1      LEU  23   8.910  -8.255  -8.255
  153   3HD1  LEU  23          2HD1      LEU  23   9.348  -9.695  -9.695
  154   1HD2  LEU  23          3HD2      LEU  23   6.016  -7.502  -7.502
  155   2HD2  LEU  23          2HD2      LEU  23   6.591  -7.213  -7.213
  156   3HD2  LEU  23          1HD2      LEU  23   7.670  -6.952  -6.952
  157    H    GLY  24           H        GLY  24   6.927 -10.312 -10.312
  158   1HA   GLY  24          2HA       GLY  24   7.061 -12.714 -12.714
  159   2HA   GLY  24          1HA       GLY  24   5.411 -12.890 -12.890
  160    H    SER  25           H        SER  25   3.688 -12.166 -12.166
  161    HA   SER  25           HA       SER  25   4.187 -10.637 -10.637
  162   1HB   SER  25          2HB       SER  25   4.783 -13.159 -13.159
  163   2HB   SER  25          1HB       SER  25   3.036 -13.382 -13.382
  164    HG   SER  25           HG       SER  25   3.195 -12.727 -12.727
  165    H    CYS  26           H        CYS  26   2.235  -9.814  -9.814
  166    HA   CYS  26           HA       CYS  26   0.085  -9.324  -9.324
  167   1HB   CYS  26          2HB       CYS  26   0.310  -9.490  -9.490
  168   2HB   CYS  26          1HB       CYS  26  -1.273  -9.233  -9.233
  169    H    ASN  27           H        ASN  27  -1.572 -10.534 -10.534
  170    HA   ASN  27           HA       ASN  27  -1.965 -13.259 -13.259
  171   1HB   ASN  27          2HB       ASN  27  -1.283 -12.655 -12.655
  172   2HB   ASN  27          1HB       ASN  27  -3.042 -12.683 -12.683
  173   1HD2  ASN  27          2HD2      ASN  27  -1.066 -16.156 -16.156
  174   2HD2  ASN  27          1HD2      ASN  27  -0.296 -14.664 -14.664
  175    H    ALA  28           H        ALA  28  -4.259 -14.073 -14.073
  176    HA   ALA  28           HA       ALA  28  -6.102 -12.405 -12.405
  177   1HB   ALA  28          1HB       ALA  28  -6.100 -15.026 -15.026
  178   2HB   ALA  28          3HB       ALA  28  -7.456 -14.239 -14.239
  179   3HB   ALA  28          2HB       ALA  28  -7.375 -14.267 -14.267
  180    H    GLY  29           H        GLY  29  -8.121 -11.434 -11.434
  181   1HA   GLY  29          2HA       GLY  29  -9.348 -10.218 -10.218
  182   2HA   GLY  29          1HA       GLY  29  -8.275 -10.861 -10.861
  183    H    TRP  30           H        TRP  30  -6.463  -9.584  -9.584
  184    HA   TRP  30           HA       TRP  30  -6.255  -6.942  -6.942
  185   1HB   TRP  30          2HB       TRP  30  -4.079  -8.805  -8.805
  186   2HB   TRP  30          1HB       TRP  30  -3.779  -7.081  -7.081
  187    HD1  TRP  30           HD1      TRP  30  -4.732 -10.242 -10.242
  188    HE1  TRP  30           HE1      TRP  30  -4.273  -9.841  -9.841
  189    HE3  TRP  30           HE3      TRP  30  -3.518  -5.282  -5.282
  190    HZ2  TRP  30           HZ2      TRP  30  -3.495  -7.700  -7.700
  191    HZ3  TRP  30           HZ3      TRP  30  -2.924  -4.088  -4.088
  192    HH2  TRP  30           HH2      TRP  30  -2.910  -5.289  -5.289
  193    H    GLU  31           H        GLU  31  -5.335  -5.225  -5.225
  194    HA   GLU  31           HA       GLU  31  -5.912  -5.781  -5.781
  195   1HB   GLU  31          2HB       GLU  31  -7.219  -3.919  -3.919
  196   2HB   GLU  31          1HB       GLU  31  -6.457  -3.059  -3.059
  197   1HG   GLU  31          2HG       GLU  31  -7.746  -4.140  -4.140
  198   2HG   GLU  31          1HG       GLU  31  -8.044  -5.539  -5.539
  199    H    LYS  32           H        LYS  32  -3.671  -5.941  -5.941
  200    HA   LYS  32           HA       LYS  32  -1.554  -4.381  -4.381
  201   1HB   LYS  32          2HB       LYS  32  -1.300  -6.217  -6.217
  202   2HB   LYS  32          1HB       LYS  32  -2.089  -5.238  -5.238
  203   1HG   LYS  32          2HG       LYS  32  -0.292  -3.529  -3.529
  204   2HG   LYS  32          1HG       LYS  32   0.521  -4.594  -4.594
  205   1HD   LYS  32          2HD       LYS  32   1.602  -5.252  -5.252
  206   2HD   LYS  32          1HD       LYS  32   0.221  -6.348  -6.348
  207   1HE   LYS  32          2HE       LYS  32  -0.916  -4.312  -4.312
  208   2HE   LYS  32          1HE       LYS  32   0.759  -3.875  -3.875
  209   1HZ   LYS  32          3HZ       LYS  32   1.088  -6.150  -6.150
  210   2HZ   LYS  32          2HZ       LYS  32  -0.570  -6.454  -6.454
  211   3HZ   LYS  32          1HZ       LYS  32  -0.057  -5.275  -5.275
  212    H    CYS  33           H        CYS  33  -1.252  -2.211  -2.211
  213    HA   CYS  33           HA       CYS  33  -2.843  -0.519  -0.519
  214   1HB   CYS  33          2HB       CYS  33  -2.522  -0.319  -0.319
  215   2HB   CYS  33          1HB       CYS  33  -1.297   0.808   0.808
  216    H    ALA  34           H        ALA  34   0.369  -1.568  -1.568
  217    HA   ALA  34           HA       ALA  34   1.402   0.412   0.412
  218   1HB   ALA  34          3HB       ALA  34   2.134   0.324   0.324
  219   2HB   ALA  34          2HB       ALA  34   3.377  -0.669  -0.669
  220   3HB   ALA  34          1HB       ALA  34   3.125   0.993   0.993
  221    H    SER  35           H        SER  35   2.763  -0.441  -0.441
  222    HA   SER  35           HA       SER  35   2.515  -3.108  -3.108
  223   1HB   SER  35          2HB       SER  35   4.898  -1.289  -1.289
  224   2HB   SER  35          1HB       SER  35   4.528  -2.739  -2.739
  225    HG   SER  35           HG       SER  35   3.522  -0.238  -0.238
  226    H    TYR  36           H        TYR  36   5.253  -1.688  -1.688
  227    HA   TYR  36           HA       TYR  36   5.597  -4.254  -4.254
  228   1HB   TYR  36          2HB       TYR  36   6.986  -4.104  -4.104
  229   2HB   TYR  36          1HB       TYR  36   8.070  -3.137  -3.137
  230    HD1  TYR  36           HD1      TYR  36   7.714  -4.419  -4.419
  231    HD2  TYR  36           HD2      TYR  36   8.119  -6.165  -6.165
  232    HE1  TYR  36           HE1      TYR  36   8.622  -6.489  -6.489
  233    HE2  TYR  36           HE2      TYR  36   9.028  -8.235  -8.235
  234    HH   TYR  36           HH       TYR  36   9.410  -9.327  -9.327
  235    H    TYR  37           H        TYR  37   5.256  -3.190  -3.190
  236    HA   TYR  37           HA       TYR  37   6.065  -0.680  -0.680
  237   1HB   TYR  37          2HB       TYR  37   4.792  -2.052  -2.052
  238   2HB   TYR  37          1HB       TYR  37   6.051  -3.286  -3.286
  239    HD1  TYR  37           HD2      TYR  37   5.848   0.437   0.437
  240    HD2  TYR  37           HD1      TYR  37   7.315  -3.330  -3.330
  241    HE1  TYR  37           HE2      TYR  37   6.923   1.594   1.594
  242    HE2  TYR  37           HE1      TYR  37   8.390  -2.174  -2.174
  243    HH   TYR  37           HH       TYR  37   8.850  -0.217  -0.217
  244    H    THR  38           H        THR  38   7.989  -3.194  -3.194
  245    HA   THR  38           HA       THR  38  10.436  -1.711  -1.711
  246    HB   THR  38           HB       THR  38  10.018  -1.731  -1.731
  247    HG1  THR  38           HG1      THR  38  12.131  -1.689  -1.689
  248   1HG2  THR  38          2HG2      THR  38   9.382  -4.482  -4.482
  249   2HG2  THR  38          1HG2      THR  38  10.660  -4.407  -4.407
  250   3HG2  THR  38          3HG2      THR  38   9.129  -3.575  -3.575
  251    H    ILE  39           H        ILE  39  12.438  -3.298  -3.298
  252    HA   ILE  39           HA       ILE  39  11.923  -5.364  -5.364
  253    HB   ILE  39           HB       ILE  39  14.388  -4.594  -4.594
  254   1HG1  ILE  39          2HG1      ILE  39  13.555  -4.263  -4.263
  255   2HG1  ILE  39          1HG1      ILE  39  13.691  -2.979  -2.979
  256   1HG2  ILE  39          1HG2      ILE  39  13.814  -6.959  -6.959
  257   2HG2  ILE  39          3HG2      ILE  39  15.287  -6.090  -6.090
  258   3HG2  ILE  39          2HG2      ILE  39  15.080  -6.712  -6.712
  259   1HD1  ILE  39          3HD1      ILE  39  16.157  -4.391  -4.391
  260   2HD1  ILE  39          2HD1      ILE  39  15.749  -4.080  -4.080
  261   3HD1  ILE  39          1HD1      ILE  39  15.862  -2.741  -2.741
  262    H    ILE  40           H        ILE  40  11.611  -5.281  -5.281
  263    HA   ILE  40           HA       ILE  40  11.664  -8.262  -8.262
  264    HB   ILE  40           HB       ILE  40  13.635  -6.914  -6.914
  265   1HG1  ILE  40          2HG1      ILE  40  13.199  -9.388  -9.388
  266   2HG1  ILE  40          1HG1      ILE  40  13.909  -8.768  -8.768
  267   1HG2  ILE  40          2HG2      ILE  40  11.755  -5.630  -5.630
  268   2HG2  ILE  40          1HG2      ILE  40  11.773  -7.062  -7.062
  269   3HG2  ILE  40          3HG2      ILE  40  13.241  -6.105  -6.105
  270   1HD1  ILE  40          1HD1      ILE  40  11.499  -8.551  -8.551
  271   2HD1  ILE  40          3HD1      ILE  40  11.039  -9.555  -9.555
  272   3HD1  ILE  40          2HD1      ILE  40  12.142 -10.186 -10.186
  273    H    ALA  41           H        ALA  41   9.417  -6.515  -6.515
  274    HA   ALA  41           HA       ALA  41   7.500  -7.607  -7.607
  275   1HB   ALA  41          1HB       ALA  41   8.994  -5.484  -5.484
  276   2HB   ALA  41          3HB       ALA  41   7.338  -4.933  -4.933
  277   3HB   ALA  41          2HB       ALA  41   7.647  -6.402  -6.402
  278    H    ASP  42           H        ASP  42   5.348  -6.690  -6.690
  279    HA   ASP  42           HA       ASP  42   5.298  -4.819  -4.819
  280   1HB   ASP  42          2HB       ASP  42   4.537  -7.468  -7.468
  281   2HB   ASP  42          1HB       ASP  42   3.007  -6.647  -6.647
  282    H    CYS  43           H        CYS  43   3.457  -3.385  -3.385
  283    HA   CYS  43           HA       CYS  43   2.321  -2.881  -2.881
  284   1HB   CYS  43          2HB       CYS  43   3.411  -0.962  -0.962
  285   2HB   CYS  43          1HB       CYS  43   2.459  -1.156  -1.156
  286    H    CYS  44           H        CYS  44   0.489  -4.136  -4.136
  287    HA   CYS  44           HA       CYS  44  -1.510  -3.964  -3.964
  288   1HB   CYS  44          2HB       CYS  44  -0.497  -6.211  -6.211
  289   2HB   CYS  44          1HB       CYS  44  -2.248  -6.077  -6.077
  290    H    ARG  45           H        ARG  45  -3.473  -3.074  -3.074
  291    HA   ARG  45           HA       ARG  45  -3.849  -2.093  -2.093
  292   1HB   ARG  45          2HB       ARG  45  -4.249  -0.499  -0.499
  293   2HB   ARG  45          1HB       ARG  45  -5.406  -1.596  -1.596
  294   1HG   ARG  45          2HG       ARG  45  -6.295  -1.349  -1.349
  295   2HG   ARG  45          1HG       ARG  45  -5.815   0.284   0.284
  296   1HD   ARG  45          2HD       ARG  45  -7.740  -1.523  -1.523
  297   2HD   ARG  45          1HD       ARG  45  -8.143  -0.043  -0.043
  298    HE   ARG  45           HE       ARG  45  -6.185   0.271   0.271
  299   1HH1  ARG  45          1HH2      ARG  45  -7.915   2.485   2.485
  300   2HH1  ARG  45          2HH2      ARG  45  -9.115   2.624   2.624
  301   1HH2  ARG  45          2HH1      ARG  45  -8.398  -0.461  -0.461
  302   2HH2  ARG  45          1HH1      ARG  45  -9.388   0.956   0.956
  303    H    LYS  46           H        LYS  46  -4.789  -3.548  -3.548
  304    HA   LYS  46           HA       LYS  46  -6.265  -5.832  -5.832
  305   1HB   LYS  46          2HB       LYS  46  -5.484  -5.574  -5.574
  306   2HB   LYS  46          1HB       LYS  46  -6.425  -4.098  -4.098
  307   1HG   LYS  46          2HG       LYS  46  -8.281  -5.261  -5.261
  308   2HG   LYS  46          1HG       LYS  46  -8.105  -6.309  -6.309
  309   1HD   LYS  46          2HD       LYS  46  -7.956  -7.640  -7.640
  310   2HD   LYS  46          1HD       LYS  46  -6.399  -7.635  -7.635
  311   1HE   LYS  46          2HE       LYS  46  -5.733  -5.689  -5.689
  312   2HE   LYS  46          1HE       LYS  46  -7.203  -5.993  -5.993
  313   1HZ   LYS  46          2HZ       LYS  46  -5.118  -8.039  -8.039
  314   2HZ   LYS  46          1HZ       LYS  46  -5.198  -7.111  -7.111
  315   3HZ   LYS  46          3HZ       LYS  46  -6.456  -8.183  -8.183
  316    H    LYS  47           H        LYS  47  -7.747  -5.280  -5.280
  317    HA   LYS  47           HA       LYS  47  -9.799  -4.554  -4.554
  318   1HB   LYS  47          2HB       LYS  47 -10.762  -4.457  -4.457
  319   2HB   LYS  47          1HB       LYS  47 -11.680  -4.864  -4.864
  320   1HG   LYS  47          2HG       LYS  47  -9.467  -6.653  -6.653
  321   2HG   LYS  47          1HG       LYS  47 -10.230  -6.626  -6.626
  322   1HD   LYS  47          2HD       LYS  47 -12.334  -6.654  -6.654
  323   2HD   LYS  47          1HD       LYS  47 -11.170  -7.871  -7.871
  324   1HE   LYS  47          2HE       LYS  47 -11.891  -9.256  -9.256
  325   2HE   LYS  47          1HE       LYS  47 -11.410  -8.075  -8.075
  326   1HZ   LYS  47          2HZ       LYS  47 -13.671  -6.989  -6.989
  327   2HZ   LYS  47          1HZ       LYS  47 -14.032  -8.636  -8.636
  328   3HZ   LYS  47          3HZ       LYS  47 -13.600  -8.051  -8.051
  329    H    LYS  48           H        LYS  48 -11.492  -2.710  -2.710
  330    HA   LYS  48           HA       LYS  48 -10.027  -0.218  -0.218
  331   1HB   LYS  48          2HB       LYS  48 -11.735  -0.405  -0.405
  332   2HB   LYS  48          1HB       LYS  48 -12.963  -0.777  -0.777
  333   1HG   LYS  48          2HG       LYS  48 -12.295   1.491   1.491
  334   2HG   LYS  48          1HG       LYS  48 -11.539   1.834   1.834
  335   1HD   LYS  48          2HD       LYS  48 -14.450   1.121   1.121
  336   2HD   LYS  48          1HD       LYS  48 -13.822   2.702   2.702
  337   1HE   LYS  48          2HE       LYS  48 -13.082   1.870   1.870
  338   2HE   LYS  48          1HE       LYS  48 -13.396   0.201   0.201
  339   1HZ   LYS  48          2HZ       LYS  48 -15.636   2.055   2.055
  340   2HZ   LYS  48          1HZ       LYS  48 -15.117   1.638   1.638
  341   3HZ   LYS  48          3HZ       LYS  48 -15.606   0.426   0.426
  342   1H    NH2  49          1HT       LYS  48 -13.221  -0.970  -0.970
  343   2H    NH2  49          2HT       LYS  48 -12.832  -0.333  -0.333

  Start of MODEL   15
    1   1H    ALA   1          2H        ALA   1   3.194  -3.936  -3.936
    2   2H    ALA   1          1H        ALA   1   4.610  -4.417  -4.417
    3   3H    ALA   1          3H        ALA   1   3.363  -3.650  -3.650
    4    HA   ALA   1           HA       ALA   1   4.871  -1.943  -1.943
    5   1HB   ALA   1          2HB       ALA   1   5.588  -3.543  -3.543
    6   2HB   ALA   1          1HB       ALA   1   5.501  -1.826  -1.826
    7   3HB   ALA   1          3HB       ALA   1   6.565  -2.380  -2.380
    8    H    ALA   2           H        ALA   2   4.675   0.107   0.107
    9    HA   ALA   2           HA       ALA   2   1.924   0.229   0.229
   10   1HB   ALA   2          2HB       ALA   2   2.844   1.516   1.516
   11   2HB   ALA   2          1HB       ALA   2   2.560   2.755   2.755
   12   3HB   ALA   2          3HB       ALA   2   1.263   1.648   1.648
   13    H    CYS   3           H        CYS   3   1.744   1.597   1.597
   14    HA   CYS   3           HA       CYS   3   3.969   3.356   3.356
   15   1HB   CYS   3          2HB       CYS   3   4.575   2.208   2.208
   16   2HB   CYS   3          1HB       CYS   3   4.689   1.040   1.040
   17    H    LYS   4           H        LYS   4   0.913   3.228   3.228
   18    HA   LYS   4           HA       LYS   4  -1.002   4.085   4.085
   19   1HB   LYS   4          2HB       LYS   4   1.154   5.910   5.910
   20   2HB   LYS   4          1HB       LYS   4   0.337   5.922   5.922
   21   1HG   LYS   4          2HG       LYS   4  -1.853   6.129   6.129
   22   2HG   LYS   4          1HG       LYS   4  -0.858   6.474   6.474
   23   1HD   LYS   4          2HD       LYS   4  -0.406   8.000   8.000
   24   2HD   LYS   4          1HD       LYS   4  -1.719   8.468   8.468
   25   1HE   LYS   4          2HE       LYS   4  -0.242   8.958   8.958
   26   2HE   LYS   4          1HE       LYS   4   1.078   8.044   8.044
   27   1HZ   LYS   4          1HZ       LYS   4   0.653   9.813   9.813
   28   2HZ   LYS   4          3HZ       LYS   4   0.136  10.739  10.739
   29   3HZ   LYS   4          2HZ       LYS   4   1.713  10.107  10.107
   30    H    CYS   5           H        CYS   5  -1.649   4.901   4.901
   31    HA   CYS   5           HA       CYS   5  -1.098   2.496   2.496
   32   1HB   CYS   5          2HB       CYS   5  -3.439   3.060   3.060
   33   2HB   CYS   5          1HB       CYS   5  -3.134   4.727   4.727
   34    H    ASP   6           H        ASP   6  -0.327   2.680   2.680
   35    HA   ASP   6           HA       ASP   6   1.788   4.383   4.383
   36   1HB   ASP   6          2HB       ASP   6   0.364   2.481   2.481
   37   2HB   ASP   6          1HB       ASP   6   0.220   3.953   3.953
   38    H    ASP   7           H        ASP   7  -1.651   5.060   5.060
   39    HA   ASP   7           HA       ASP   7  -1.053   7.933   7.933
   40   1HB   ASP   7          2HB       ASP   7  -1.565   6.414   6.414
   41   2HB   ASP   7          1HB       ASP   7  -2.827   7.619   7.619
   42    H    GLU   8           H        GLU   8  -2.303   7.707   7.707
   43    HA   GLU   8           HA       GLU   8  -4.974   6.696   6.696
   44   1HB   GLU   8          2HB       GLU   8  -3.374   8.582   8.582
   45   2HB   GLU   8          1HB       GLU   8  -5.109   8.433   8.433
   46   1HG   GLU   8          2HG       GLU   8  -4.479   5.819   5.819
   47   2HG   GLU   8          1HG       GLU   8  -2.942   6.443   6.443
   48    H    GLY   9           H        GLY   9  -4.178  10.158  10.158
   49   1HA   GLY   9          2HA       GLY   9  -5.681  11.040  11.040
   50   2HA   GLY   9          1HA       GLY   9  -6.721  11.084  11.084
   51    HA   PRO  10           HA       PRO  10  -4.379  15.048  15.048
   52   1HB   PRO  10          2HB       PRO  10  -6.613  16.611  16.611
   53   2HB   PRO  10          1HB       PRO  10  -5.982  16.067  16.067
   54   1HG   PRO  10          2HG       PRO  10  -8.374  15.137  15.137
   55   2HG   PRO  10          1HG       PRO  10  -8.053  15.123  15.123
   56   1HD   PRO  10          2HD       PRO  10  -7.871  12.905  12.905
   57   2HD   PRO  10          1HD       PRO  10  -7.278  12.972  12.972
   58    H    ASP  11           H        ASP  11  -4.062  13.666  13.666
   59    HA   ASP  11           HA       ASP  11  -5.641  14.872  14.872
   60   1HB   ASP  11          2HB       ASP  11  -3.525  12.700  12.700
   61   2HB   ASP  11          1HB       ASP  11  -4.598  13.175  13.175
   62    H    ILE  12           H        ILE  12  -4.231  16.868  16.868
   63    HA   ILE  12           HA       ILE  12  -1.506  17.154  17.154
   64    HB   ILE  12           HB       ILE  12  -2.862  18.749  18.749
   65   1HG1  ILE  12          2HG1      ILE  12  -1.709  20.500  20.500
   66   2HG1  ILE  12          1HG1      ILE  12  -0.640  19.199  19.199
   67   1HG2  ILE  12          1HG2      ILE  12  -4.767  18.845  18.845
   68   2HG2  ILE  12          3HG2      ILE  12  -3.738  19.855  19.855
   69   3HG2  ILE  12          2HG2      ILE  12  -4.223  20.417  20.417
   70   1HD1  ILE  12          1HD1      ILE  12  -1.487  19.980  19.980
   71   2HD1  ILE  12          3HD1      ILE  12  -1.736  21.503  21.503
   72   3HD1  ILE  12          2HD1      ILE  12  -0.130  20.774  20.774
   73    H    ARG  13           H        ARG  13  -4.305  16.975  16.975
   74    HA   ARG  13           HA       ARG  13  -3.063  18.380  18.380
   75   1HB   ARG  13          2HB       ARG  13  -5.612  16.738  16.738
   76   2HB   ARG  13          1HB       ARG  13  -5.118  17.770  17.770
   77   1HG   ARG  13          2HG       ARG  13  -6.032  19.551  19.551
   78   2HG   ARG  13          1HG       ARG  13  -4.969  19.310  19.310
   79   1HD   ARG  13          2HD       ARG  13  -7.261  19.215  19.215
   80   2HD   ARG  13          1HD       ARG  13  -6.586  17.587  17.587
   81    HE   ARG  13           HE       ARG  13  -8.179  18.377  18.377
   82   1HH1  ARG  13          1HH2      ARG  13  -7.049  15.802  15.802
   83   2HH1  ARG  13          2HH2      ARG  13  -8.560  14.964  14.964
   84   1HH2  ARG  13          2HH1      ARG  13 -10.421  17.604  17.604
   85   2HH2  ARG  13          1HH1      ARG  13 -10.469  15.985  15.985
   86    H    THR  14           H        THR  14  -4.607  15.167  15.167
   87    HA   THR  14           HA       THR  14  -2.085  13.931  13.931
   88    HB   THR  14           HB       THR  14  -3.087  14.779  14.779
   89    HG1  THR  14           HG1      THR  14  -3.540  12.561  12.561
   90   1HG2  THR  14          1HG2      THR  14  -5.514  13.631  13.631
   91   2HG2  THR  14          3HG2      THR  14  -5.347  13.350  13.350
   92   3HG2  THR  14          2HG2      THR  14  -5.351  14.997  14.997
   93    H    ALA  15           H        ALA  15  -2.035  11.721  11.721
   94    HA   ALA  15           HA       ALA  15  -4.354  10.703  10.703
   95   1HB   ALA  15          3HB       ALA  15  -1.505  10.460  10.460
   96   2HB   ALA  15          2HB       ALA  15  -2.192   8.851   8.851
   97   3HB   ALA  15          1HB       ALA  15  -2.747   9.873   9.873
   98    HA   PRO  16           HA       PRO  16  -5.417   7.918   7.918
   99   1HB   PRO  16          2HB       PRO  16  -6.967   6.228   6.228
  100   2HB   PRO  16          1HB       PRO  16  -7.477   7.858   7.858
  101   1HG   PRO  16          2HG       PRO  16  -6.618   6.845   6.845
  102   2HG   PRO  16          1HG       PRO  16  -7.660   8.217   8.217
  103   1HD   PRO  16          2HD       PRO  16  -4.918   8.331   8.331
  104   2HD   PRO  16          1HD       PRO  16  -5.909   9.677   9.677
  105    H    LEU  17           H        LEU  17  -2.996   7.301   7.301
  106    HA   LEU  17           HA       LEU  17  -1.616   5.470   5.470
  107   1HB   LEU  17          2HB       LEU  17  -2.549   5.132   5.132
  108   2HB   LEU  17          1HB       LEU  17  -1.516   3.900   3.900
  109    HG   LEU  17           HG       LEU  17  -0.205   5.649   5.649
  110   1HD1  LEU  17          1HD1      LEU  17   0.466   4.420   4.420
  111   2HD1  LEU  17          3HD1      LEU  17   0.329   6.038   6.038
  112   3HD1  LEU  17          2HD1      LEU  17   1.469   5.731   5.731
  113   1HD2  LEU  17          3HD2      LEU  17  -1.823   7.506   7.506
  114   2HD2  LEU  17          2HD2      LEU  17  -0.147   7.920   7.920
  115   3HD2  LEU  17          1HD2      LEU  17  -1.249   7.488   7.488
  116    H    THR  18           H        THR  18  -3.571   4.911   4.911
  117    HA   THR  18           HA       THR  18  -5.025   2.480   2.480
  118    HB   THR  18           HB       THR  18  -6.121   2.666   2.666
  119    HG1  THR  18           HG1      THR  18  -3.935   4.315   4.315
  120   1HG2  THR  18          2HG2      THR  18  -5.796   5.142   5.142
  121   2HG2  THR  18          1HG2      THR  18  -6.780   5.201   5.201
  122   3HG2  THR  18          3HG2      THR  18  -7.199   4.085   4.085
  123    H    GLY  19           H        GLY  19  -1.964   2.738   2.738
  124   1HA   GLY  19          2HA       GLY  19  -1.823   0.490   0.490
  125   2HA   GLY  19          1HA       GLY  19  -0.523   1.656   1.656
  126    H    THR  20           H        THR  20  -0.598  -1.342  -1.342
  127    HA   THR  20           HA       THR  20   0.684  -1.367  -1.367
  128    HB   THR  20           HB       THR  20  -1.101  -3.674  -3.674
  129    HG1  THR  20           HG1      THR  20  -2.787  -2.472  -2.472
  130   1HG2  THR  20          3HG2      THR  20  -0.195  -2.222  -2.222
  131   2HG2  THR  20          2HG2      THR  20  -1.396  -3.513  -3.513
  132   3HG2  THR  20          1HG2      THR  20   0.248  -3.848  -3.848
  133    H    VAL  21           H        VAL  21   2.634  -2.336  -2.336
  134    HA   VAL  21           HA       VAL  21   3.088  -4.037  -4.037
  135    HB   VAL  21           HB       VAL  21   5.131  -3.012  -3.012
  136   1HG1  VAL  21          2HG1      VAL  21   5.690  -4.941  -4.941
  137   2HG1  VAL  21          1HG1      VAL  21   5.456  -3.813  -3.813
  138   3HG1  VAL  21          3HG1      VAL  21   6.727  -3.522  -3.522
  139   1HG2  VAL  21          3HG2      VAL  21   3.596  -1.319  -1.319
  140   2HG2  VAL  21          2HG2      VAL  21   5.329  -1.038  -1.038
  141   3HG2  VAL  21          1HG2      VAL  21   4.691  -1.752  -1.752
  142    H    ASP  22           H        ASP  22   3.560  -6.212  -6.212
  143    HA   ASP  22           HA       ASP  22   3.821  -7.311  -7.311
  144   1HB   ASP  22          2HB       ASP  22   1.877  -7.937  -7.937
  145   2HB   ASP  22          1HB       ASP  22   2.682  -9.360  -9.360
  146    H    LEU  23           H        LEU  23   5.900  -8.030  -8.030
  147    HA   LEU  23           HA       LEU  23   7.544  -8.694  -8.694
  148   1HB   LEU  23          2HB       LEU  23   7.673  -9.088  -9.088
  149   2HB   LEU  23          1HB       LEU  23   8.708 -10.129 -10.129
  150    HG   LEU  23           HG       LEU  23   9.663  -8.157  -8.157
  151   1HD1  LEU  23          2HD1      LEU  23   7.872  -6.592  -6.592
  152   2HD1  LEU  23          1HD1      LEU  23   9.079  -5.897  -5.897
  153   3HD1  LEU  23          3HD1      LEU  23   7.665  -6.713  -6.713
  154   1HD2  LEU  23          1HD2      LEU  23  10.375  -9.052  -9.052
  155   2HD2  LEU  23          3HD2      LEU  23  11.083  -7.567  -7.567
  156   3HD2  LEU  23          2HD2      LEU  23   9.769  -7.486  -7.486
  157    H    GLY  24           H        GLY  24   6.669 -10.201 -10.201
  158   1HA   GLY  24          2HA       GLY  24   7.047 -12.892 -12.892
  159   2HA   GLY  24          1HA       GLY  24   5.491 -12.693 -12.693
  160    H    SER  25           H        SER  25   3.727 -11.719 -11.719
  161    HA   SER  25           HA       SER  25   3.901 -11.120 -11.120
  162   1HB   SER  25          2HB       SER  25   2.507 -13.514 -13.514
  163   2HB   SER  25          1HB       SER  25   4.146 -13.175 -13.175
  164    HG   SER  25           HG       SER  25   3.560 -14.043 -14.043
  165    H    CYS  26           H        CYS  26   2.053 -10.002 -10.002
  166    HA   CYS  26           HA       CYS  26   0.004  -9.523  -9.523
  167   1HB   CYS  26          2HB       CYS  26   0.448  -8.473  -8.473
  168   2HB   CYS  26          1HB       CYS  26  -0.619  -9.742  -9.742
  169    H    ASN  27           H        ASN  27  -1.872 -10.571 -10.571
  170    HA   ASN  27           HA       ASN  27  -2.245 -13.325 -13.325
  171   1HB   ASN  27          2HB       ASN  27  -2.059 -12.438 -12.438
  172   2HB   ASN  27          1HB       ASN  27  -3.799 -12.594 -12.594
  173   1HD2  ASN  27          2HD2      ASN  27  -2.069 -15.916 -15.916
  174   2HD2  ASN  27          1HD2      ASN  27  -1.804 -14.357 -14.357
  175    H    ALA  28           H        ALA  28  -4.715 -13.988 -13.988
  176    HA   ALA  28           HA       ALA  28  -6.178 -12.341 -12.341
  177   1HB   ALA  28          3HB       ALA  28  -6.394 -14.938 -14.938
  178   2HB   ALA  28          2HB       ALA  28  -7.785 -14.167 -14.167
  179   3HB   ALA  28          1HB       ALA  28  -7.597 -14.112 -14.112
  180    H    GLY  29           H        GLY  29  -8.241 -11.243 -11.243
  181   1HA   GLY  29          2HA       GLY  29  -9.768 -10.081 -10.081
  182   2HA   GLY  29          1HA       GLY  29  -8.806 -10.570 -10.570
  183    H    TRP  30           H        TRP  30  -6.462  -9.567  -9.567
  184    HA   TRP  30           HA       TRP  30  -6.614  -6.771  -6.771
  185   1HB   TRP  30          2HB       TRP  30  -4.296  -8.553  -8.553
  186   2HB   TRP  30          1HB       TRP  30  -4.104  -6.819  -6.819
  187    HD1  TRP  30           HD1      TRP  30  -5.244  -9.988  -9.988
  188    HE1  TRP  30           HE1      TRP  30  -4.907  -9.608  -9.608
  189    HE3  TRP  30           HE3      TRP  30  -3.772  -5.098  -5.098
  190    HZ2  TRP  30           HZ2      TRP  30  -4.119  -7.507  -7.507
  191    HZ3  TRP  30           HZ3      TRP  30  -3.234  -3.934  -3.934
  192    HH2  TRP  30           HH2      TRP  30  -3.406  -5.130  -5.130
  193    H    GLU  31           H        GLU  31  -6.135  -5.025  -5.025
  194    HA   GLU  31           HA       GLU  31  -6.377  -5.738  -5.738
  195   1HB   GLU  31          2HB       GLU  31  -7.350  -3.385  -3.385
  196   2HB   GLU  31          1HB       GLU  31  -7.133  -3.249  -3.249
  197   1HG   GLU  31          2HG       GLU  31  -8.576  -5.670  -5.670
  198   2HG   GLU  31          1HG       GLU  31  -9.424  -4.148  -4.148
  199    H    LYS  32           H        LYS  32  -4.161  -5.892  -5.892
  200    HA   LYS  32           HA       LYS  32  -2.022  -4.380  -4.380
  201   1HB   LYS  32          2HB       LYS  32  -1.715  -6.172  -6.172
  202   2HB   LYS  32          1HB       LYS  32  -2.595  -5.260  -5.260
  203   1HG   LYS  32          2HG       LYS  32  -0.875  -3.679  -3.679
  204   2HG   LYS  32          1HG       LYS  32  -0.160  -4.078  -4.078
  205   1HD   LYS  32          2HD       LYS  32   1.302  -5.129  -5.129
  206   2HD   LYS  32          1HD       LYS  32   0.212  -6.441  -6.441
  207   1HE   LYS  32          2HE       LYS  32  -0.953  -6.338  -6.338
  208   2HE   LYS  32          1HE       LYS  32  -0.417  -4.690  -4.690
  209   1HZ   LYS  32          2HZ       LYS  32   1.911  -6.015  -6.015
  210   2HZ   LYS  32          1HZ       LYS  32   0.904  -7.202  -7.202
  211   3HZ   LYS  32          3HZ       LYS  32   1.080  -5.698  -5.698
  212    H    CYS  33           H        CYS  33  -1.424  -2.258  -2.258
  213    HA   CYS  33           HA       CYS  33  -3.118  -0.473  -0.473
  214   1HB   CYS  33          2HB       CYS  33  -2.338  -0.312  -0.312
  215   2HB   CYS  33          1HB       CYS  33  -1.414   0.933   0.933
  216    H    ALA  34           H        ALA  34   0.002  -1.808  -1.808
  217    HA   ALA  34           HA       ALA  34   0.975   0.047   0.047
  218   1HB   ALA  34          2HB       ALA  34   1.815   0.465   0.465
  219   2HB   ALA  34          1HB       ALA  34   2.938  -0.823  -0.823
  220   3HB   ALA  34          3HB       ALA  34   2.892   0.663   0.663
  221    H    SER  35           H        SER  35   1.933  -1.078  -1.078
  222    HA   SER  35           HA       SER  35   1.823  -3.827  -3.827
  223   1HB   SER  35          2HB       SER  35   3.830  -1.835  -1.835
  224   2HB   SER  35          1HB       SER  35   3.854  -3.529  -3.529
  225    HG   SER  35           HG       SER  35   2.319  -1.576  -1.576
  226    H    TYR  36           H        TYR  36   4.120  -1.992  -1.992
  227    HA   TYR  36           HA       TYR  36   5.105  -4.473  -4.473
  228   1HB   TYR  36          2HB       TYR  36   6.505  -3.788  -3.788
  229   2HB   TYR  36          1HB       TYR  36   7.259  -2.666  -2.666
  230    HD1  TYR  36           HD2      TYR  36   6.659  -4.617  -4.617
  231    HD2  TYR  36           HD1      TYR  36   8.611  -5.069  -5.069
  232    HE1  TYR  36           HE2      TYR  36   8.027  -6.468  -6.468
  233    HE2  TYR  36           HE1      TYR  36   9.978  -6.920  -6.920
  234    HH   TYR  36           HH       TYR  36  10.304  -8.271  -8.271
  235    H    TYR  37           H        TYR  37   7.545  -2.786  -2.786
  236    HA   TYR  37           HA       TYR  37   6.646  -0.458  -0.458
  237   1HB   TYR  37          2HB       TYR  37   5.158  -1.964  -1.964
  238   2HB   TYR  37          1HB       TYR  37   6.517  -3.008  -3.008
  239    HD1  TYR  37           HD2      TYR  37   6.576   0.704   0.704
  240    HD2  TYR  37           HD1      TYR  37   6.480  -2.802  -2.802
  241    HE1  TYR  37           HE2      TYR  37   7.028   2.103   2.103
  242    HE2  TYR  37           HE1      TYR  37   6.931  -1.405  -1.405
  243    HH   TYR  37           HH       TYR  37   8.011   0.837   0.837
  244    H    THR  38           H        THR  38   8.327  -2.807  -2.807
  245    HA   THR  38           HA       THR  38  10.851  -1.309  -1.309
  246    HB   THR  38           HB       THR  38  10.111  -1.312  -1.312
  247    HG1  THR  38           HG1      THR  38  12.203  -1.370  -1.370
  248   1HG2  THR  38          3HG2      THR  38   9.235  -3.892  -3.892
  249   2HG2  THR  38          2HG2      THR  38  10.583  -4.137  -4.137
  250   3HG2  THR  38          1HG2      THR  38   9.220  -3.125  -3.125
  251    H    ILE  39           H        ILE  39  12.836  -2.920  -2.920
  252    HA   ILE  39           HA       ILE  39  12.665  -4.947  -4.947
  253    HB   ILE  39           HB       ILE  39  14.836  -4.146  -4.146
  254   1HG1  ILE  39          2HG1      ILE  39  15.311  -4.048  -4.048
  255   2HG1  ILE  39          1HG1      ILE  39  13.961  -3.034  -3.034
  256   1HG2  ILE  39          1HG2      ILE  39  14.769  -6.363  -6.363
  257   2HG2  ILE  39          3HG2      ILE  39  16.279  -5.654  -5.654
  258   3HG2  ILE  39          2HG2      ILE  39  15.205  -6.479  -6.479
  259   1HD1  ILE  39          1HD1      ILE  39  16.578  -2.980  -2.980
  260   2HD1  ILE  39          3HD1      ILE  39  16.343  -2.001  -2.001
  261   3HD1  ILE  39          2HD1      ILE  39  15.307  -1.758  -1.758
  262    H    ILE  40           H        ILE  40  11.730  -4.950  -4.950
  263    HA   ILE  40           HA       ILE  40  11.778  -7.923  -7.923
  264    HB   ILE  40           HB       ILE  40  13.728  -6.995  -6.995
  265   1HG1  ILE  40          2HG1      ILE  40  11.927  -8.332  -8.332
  266   2HG1  ILE  40          1HG1      ILE  40  12.183  -9.171  -9.171
  267   1HG2  ILE  40          2HG2      ILE  40  12.182  -5.068  -5.068
  268   2HG2  ILE  40          1HG2      ILE  40  11.652  -6.246  -6.246
  269   3HG2  ILE  40          3HG2      ILE  40  13.350  -5.772  -5.772
  270   1HD1  ILE  40          1HD1      ILE  40  14.731  -8.294  -8.294
  271   2HD1  ILE  40          3HD1      ILE  40  14.019  -8.817  -8.817
  272   3HD1  ILE  40          2HD1      ILE  40  14.115  -9.938  -9.938
  273    H    ALA  41           H        ALA  41   9.657  -5.881  -5.881
  274    HA   ALA  41           HA       ALA  41   7.660  -7.064  -7.064
  275   1HB   ALA  41          3HB       ALA  41   9.044  -5.042  -5.042
  276   2HB   ALA  41          2HB       ALA  41   7.673  -4.174  -4.174
  277   3HB   ALA  41          1HB       ALA  41   7.397  -5.527  -5.527
  278    H    ASP  42           H        ASP  42   5.497  -5.885  -5.885
  279    HA   ASP  42           HA       ASP  42   5.381  -4.464  -4.464
  280   1HB   ASP  42          2HB       ASP  42   4.656  -7.094  -7.094
  281   2HB   ASP  42          1HB       ASP  42   3.127  -6.280  -6.280
  282    H    CYS  43           H        CYS  43   3.382  -3.199  -3.199
  283    HA   CYS  43           HA       CYS  43   2.379  -2.302  -2.302
  284   1HB   CYS  43          2HB       CYS  43   2.856  -0.933  -0.933
  285   2HB   CYS  43          1HB       CYS  43   1.611  -0.303  -0.303
  286    H    CYS  44           H        CYS  44   0.590  -3.631  -3.631
  287    HA   CYS  44           HA       CYS  44  -1.455  -3.670  -3.670
  288   1HB   CYS  44          2HB       CYS  44  -0.520  -5.660  -5.660
  289   2HB   CYS  44          1HB       CYS  44  -2.277  -5.519  -5.519
  290    H    ARG  45           H        ARG  45  -3.657  -3.218  -3.218
  291    HA   ARG  45           HA       ARG  45  -3.938  -1.793  -1.793
  292   1HB   ARG  45          2HB       ARG  45  -4.015  -0.230  -0.230
  293   2HB   ARG  45          1HB       ARG  45  -5.295  -1.186  -1.186
  294   1HG   ARG  45          2HG       ARG  45  -5.979  -0.553  -0.553
  295   2HG   ARG  45          1HG       ARG  45  -5.619   0.920   0.920
  296   1HD   ARG  45          2HD       ARG  45  -7.573  -1.244  -1.244
  297   2HD   ARG  45          1HD       ARG  45  -7.997   0.354   0.354
  298    HE   ARG  45           HE       ARG  45  -6.306   0.286   0.286
  299   1HH1  ARG  45          2HH1      ARG  45  -7.328   2.726   2.726
  300   2HH1  ARG  45          1HH1      ARG  45  -8.939   2.630   2.630
  301   1HH2  ARG  45          1HH2      ARG  45  -9.286  -0.752  -0.752
  302   2HH2  ARG  45          2HH2      ARG  45 -10.047   0.660   0.660
  303    H    LYS  46           H        LYS  46  -4.944  -3.387  -3.387
  304    HA   LYS  46           HA       LYS  46  -6.676  -5.398  -5.398
  305   1HB   LYS  46          2HB       LYS  46  -5.860  -4.841  -4.841
  306   2HB   LYS  46          1HB       LYS  46  -7.209  -3.708  -3.708
  307   1HG   LYS  46          2HG       LYS  46  -8.544  -5.867  -5.867
  308   2HG   LYS  46          1HG       LYS  46  -7.236  -6.685  -6.685
  309   1HD   LYS  46          2HD       LYS  46  -8.016  -4.627  -4.627
  310   2HD   LYS  46          1HD       LYS  46  -9.531  -5.262  -5.262
  311   1HE   LYS  46          2HE       LYS  46  -9.106  -7.433  -7.433
  312   2HE   LYS  46          1HE       LYS  46  -7.379  -7.126  -7.126
  313   1HZ   LYS  46          2HZ       LYS  46  -8.814  -5.270  -5.270
  314   2HZ   LYS  46          1HZ       LYS  46  -9.374  -6.831  -6.831
  315   3HZ   LYS  46          3HZ       LYS  46  -7.724  -6.465  -6.465
  316    H    LYS  47           H        LYS  47  -8.862  -5.559  -5.559
  317    HA   LYS  47           HA       LYS  47 -10.136  -3.386  -3.386
  318   1HB   LYS  47          2HB       LYS  47 -11.187  -5.972  -5.972
  319   2HB   LYS  47          1HB       LYS  47 -12.258  -4.814  -4.814
  320   1HG   LYS  47          2HG       LYS  47 -11.224  -5.082  -5.082
  321   2HG   LYS  47          1HG       LYS  47  -9.729  -5.690  -5.690
  322   1HD   LYS  47          2HD       LYS  47 -10.480  -7.775  -7.775
  323   2HD   LYS  47          1HD       LYS  47 -11.714  -7.497  -7.497
  324   1HE   LYS  47          2HE       LYS  47 -12.751  -8.191  -8.191
  325   2HE   LYS  47          1HE       LYS  47 -13.208  -6.535  -6.535
  326   1HZ   LYS  47          3HZ       LYS  47 -10.878  -7.125  -7.125
  327   2HZ   LYS  47          2HZ       LYS  47 -12.447  -6.999  -6.999
  328   3HZ   LYS  47          1HZ       LYS  47 -11.741  -5.672  -5.672
  329    H    LYS  48           H        LYS  48 -12.308  -2.439  -2.439
  330    HA   LYS  48           HA       LYS  48 -13.418  -1.031  -1.031
  331   1HB   LYS  48          2HB       LYS  48 -12.632  -3.048  -3.048
  332   2HB   LYS  48          1HB       LYS  48 -14.088  -2.054  -2.054
  333   1HG   LYS  48          2HG       LYS  48 -15.030  -3.342  -3.342
  334   2HG   LYS  48          1HG       LYS  48 -13.477  -4.054  -4.054
  335   1HD   LYS  48          2HD       LYS  48 -14.370  -4.546  -4.546
  336   2HD   LYS  48          1HD       LYS  48 -15.324  -5.334  -5.334
  337   1HE   LYS  48          2HE       LYS  48 -13.703  -6.938  -6.938
  338   2HE   LYS  48          1HE       LYS  48 -12.823  -5.849  -5.849
  339   1HZ   LYS  48          1HZ       LYS  48 -12.685  -5.577  -5.577
  340   2HZ   LYS  48          3HZ       LYS  48 -11.650  -6.623  -6.623
  341   3HZ   LYS  48          2HZ       LYS  48 -11.622  -4.957  -4.957
  342   1H    NH2  49          1HT       LYS  48 -10.319  -0.901  -0.901
  343   2H    NH2  49          2HT       LYS  48  -9.842  -0.005  -0.005

  Start of MODEL   16
    1   1H    ALA   1          3H        ALA   1   3.173  -2.921  -2.921
    2   2H    ALA   1          2H        ALA   1   4.623  -3.701  -3.701
    3   3H    ALA   1          1H        ALA   1   3.855  -2.666  -2.666
    4    HA   ALA   1           HA       ALA   1   5.275  -1.121  -1.121
    5   1HB   ALA   1          2HB       ALA   1   5.815  -3.251  -3.251
    6   2HB   ALA   1          1HB       ALA   1   5.929  -1.666  -1.666
    7   3HB   ALA   1          3HB       ALA   1   6.914  -2.035  -2.035
    8    H    ALA   2           H        ALA   2   3.713   0.500   0.500
    9    HA   ALA   2           HA       ALA   2   1.561   0.803   0.803
   10   1HB   ALA   2          1HB       ALA   2   3.281   2.623   2.623
   11   2HB   ALA   2          3HB       ALA   2   2.585   3.381   3.381
   12   3HB   ALA   2          2HB       ALA   2   1.531   2.656   2.656
   13    H    CYS   3           H        CYS   3   1.337   2.149   2.149
   14    HA   CYS   3           HA       CYS   3   3.761   2.515   2.515
   15   1HB   CYS   3          2HB       CYS   3   3.281   0.133   0.133
   16   2HB   CYS   3          1HB       CYS   3   1.623   0.524   0.524
   17    H    LYS   4           H        LYS   4   0.876   1.939   1.939
   18    HA   LYS   4           HA       LYS   4  -0.678   4.200   4.200
   19   1HB   LYS   4          2HB       LYS   4   2.000   4.885   4.885
   20   2HB   LYS   4          1HB       LYS   4   0.743   5.399   5.399
   21   1HG   LYS   4          2HG       LYS   4  -0.107   6.941   6.941
   22   2HG   LYS   4          1HG       LYS   4   0.162   5.912   5.912
   23   1HD   LYS   4          2HD       LYS   4   1.615   7.915   7.915
   24   2HD   LYS   4          1HD       LYS   4   2.566   6.434   6.434
   25   1HE   LYS   4          2HE       LYS   4   3.494   7.971   7.971
   26   2HE   LYS   4          1HE       LYS   4   2.575   6.784   6.784
   27   1HZ   LYS   4          2HZ       LYS   4   0.960   8.981   8.981
   28   2HZ   LYS   4          1HZ       LYS   4   2.271   9.495   9.495
   29   3HZ   LYS   4          3HZ       LYS   4   1.184   8.345   8.345
   30    H    CYS   5           H        CYS   5  -1.301   5.028   5.028
   31    HA   CYS   5           HA       CYS   5  -1.330   2.619   2.619
   32   1HB   CYS   5          2HB       CYS   5  -3.435   2.588   2.588
   33   2HB   CYS   5          1HB       CYS   5  -3.772   4.246   4.246
   34    H    ASP   6           H        ASP   6  -1.601   3.130   3.130
   35    HA   ASP   6           HA       ASP   6  -0.391   5.524   5.524
   36   1HB   ASP   6          2HB       ASP   6  -0.791   3.342   3.342
   37   2HB   ASP   6          1HB       ASP   6  -2.405   3.972   3.972
   38    H    ASP   7           H        ASP   7  -3.619   4.951   4.951
   39    HA   ASP   7           HA       ASP   7  -4.304   7.755   7.755
   40   1HB   ASP   7          2HB       ASP   7  -5.547   5.339   5.339
   41   2HB   ASP   7          1HB       ASP   7  -6.717   6.347   6.347
   42    H    GLU   8           H        GLU   8  -3.439   6.784   6.784
   43    HA   GLU   8           HA       GLU   8  -5.645   6.120   6.120
   44   1HB   GLU   8          2HB       GLU   8  -4.041   6.960   6.960
   45   2HB   GLU   8          1HB       GLU   8  -3.454   5.633   5.633
   46   1HG   GLU   8          2HG       GLU   8  -1.789   6.892   6.892
   47   2HG   GLU   8          1HG       GLU   8  -2.871   8.254   8.254
   48    H    GLY   9           H        GLY   9  -4.440   9.115   9.115
   49   1HA   GLY   9          2HA       GLY   9  -6.259  10.908  10.908
   50   2HA   GLY   9          1HA       GLY   9  -6.356  10.609  10.609
   51    HA   PRO  10           HA       PRO  10  -3.024  13.803  13.803
   52   1HB   PRO  10          2HB       PRO  10  -4.473  16.072  16.072
   53   2HB   PRO  10          1HB       PRO  10  -4.350  15.331  15.331
   54   1HG   PRO  10          2HG       PRO  10  -6.630  15.339  15.339
   55   2HG   PRO  10          1HG       PRO  10  -6.634  15.204  15.204
   56   1HD   PRO  10          2HD       PRO  10  -6.963  13.075  13.075
   57   2HD   PRO  10          1HD       PRO  10  -6.676  12.918  12.918
   58    H    ASP  11           H        ASP  11  -5.564  13.756  13.756
   59    HA   ASP  11           HA       ASP  11  -5.466  14.279  14.279
   60   1HB   ASP  11          2HB       ASP  11  -3.388  12.389  12.389
   61   2HB   ASP  11          1HB       ASP  11  -2.878  13.382  13.382
   62    H    ILE  12           H        ILE  12  -3.249  14.944  14.944
   63    HA   ILE  12           HA       ILE  12  -1.967  17.279  17.279
   64    HB   ILE  12           HB       ILE  12  -4.227  17.965  17.965
   65   1HG1  ILE  12          2HG1      ILE  12  -2.322  19.526  19.526
   66   2HG1  ILE  12          1HG1      ILE  12  -3.318  20.041  20.041
   67   1HG2  ILE  12          2HG2      ILE  12  -3.900  16.481  16.481
   68   2HG2  ILE  12          1HG2      ILE  12  -2.719  17.661  17.661
   69   3HG2  ILE  12          3HG2      ILE  12  -4.403  18.134  18.134
   70   1HD1  ILE  12          2HD1      ILE  12  -1.483  18.477  18.477
   71   2HD1  ILE  12          1HD1      ILE  12  -0.506  19.125  19.125
   72   3HD1  ILE  12          3HD1      ILE  12  -1.318  20.221  20.221
   73    H    ARG  13           H        ARG  13  -2.381  15.283  15.283
   74    HA   ARG  13           HA       ARG  13   0.162  16.181  16.181
   75   1HB   ARG  13          2HB       ARG  13  -2.116  14.608  14.608
   76   2HB   ARG  13          1HB       ARG  13  -0.607  13.780  13.780
   77   1HG   ARG  13          2HG       ARG  13  -0.773  15.141  15.141
   78   2HG   ARG  13          1HG       ARG  13   0.109  16.227  16.227
   79   1HD   ARG  13          2HD       ARG  13  -2.289  16.958  16.958
   80   2HD   ARG  13          1HD       ARG  13  -2.797  16.269  16.269
   81    HE   ARG  13           HE       ARG  13  -1.483  17.962  17.962
   82   1HH1  ARG  13          1HH2      ARG  13  -0.090  17.925  17.925
   83   2HH1  ARG  13          2HH2      ARG  13  -0.109  19.638  19.638
   84   1HH2  ARG  13          2HH1      ARG  13  -2.116  20.285  20.285
   85   2HH2  ARG  13          1HH1      ARG  13  -1.256  20.974  20.974
   86    H    THR  14           H        THR  14  -0.769  12.785  12.785
   87    HA   THR  14           HA       THR  14   1.509  12.349  12.349
   88    HB   THR  14           HB       THR  14   1.545  10.412  10.412
   89    HG1  THR  14           HG1      THR  14   2.200  13.127  13.127
   90   1HG2  THR  14          1HG2      THR  14   3.441  12.028  12.028
   91   2HG2  THR  14          3HG2      THR  14   4.023  11.380  11.380
   92   3HG2  THR  14          2HG2      THR  14   3.409  10.289  10.289
   93    H    ALA  15           H        ALA  15  -1.448  12.073  12.073
   94    HA   ALA  15           HA       ALA  15  -3.014  10.536  10.536
   95   1HB   ALA  15          2HB       ALA  15  -0.453   9.810   9.810
   96   2HB   ALA  15          1HB       ALA  15  -1.376   8.345   8.345
   97   3HB   ALA  15          3HB       ALA  15  -2.052   9.594   9.594
   98    HA   PRO  16           HA       PRO  16  -3.625   7.590   7.590
   99   1HB   PRO  16          2HB       PRO  16  -5.610   6.121   6.121
  100   2HB   PRO  16          1HB       PRO  16  -5.851   7.761   7.761
  101   1HG   PRO  16          2HG       PRO  16  -5.676   6.816   6.816
  102   2HG   PRO  16          1HG       PRO  16  -6.472   8.254   8.254
  103   1HD   PRO  16          2HD       PRO  16  -3.954   8.158   8.158
  104   2HD   PRO  16          1HD       PRO  16  -4.658   9.557   9.557
  105    H    LEU  17           H        LEU  17  -1.719   6.871   6.871
  106    HA   LEU  17           HA       LEU  17  -0.643   4.958   4.958
  107   1HB   LEU  17          2HB       LEU  17  -1.093   4.399   4.399
  108   2HB   LEU  17          1HB       LEU  17  -0.184   3.286   3.286
  109    HG   LEU  17           HG       LEU  17   1.260   4.961   4.961
  110   1HD1  LEU  17          2HD1      LEU  17   1.385   4.048   4.048
  111   2HD1  LEU  17          1HD1      LEU  17   1.675   5.781   5.781
  112   3HD1  LEU  17          3HD1      LEU  17   2.705   4.800   4.800
  113   1HD2  LEU  17          2HD2      LEU  17  -0.589   6.778   6.778
  114   2HD2  LEU  17          1HD2      LEU  17   1.107   7.259   7.259
  115   3HD2  LEU  17          3HD2      LEU  17   0.196   7.004   7.004
  116    H    THR  18           H        THR  18  -3.289   4.891   4.891
  117    HA   THR  18           HA       THR  18  -4.841   2.678   2.678
  118    HB   THR  18           HB       THR  18  -5.595   2.733   2.733
  119    HG1  THR  18           HG1      THR  18  -4.910   5.079   5.079
  120   1HG2  THR  18          1HG2      THR  18  -6.081   4.439   4.439
  121   2HG2  THR  18          3HG2      THR  18  -6.212   5.385   5.385
  122   3HG2  THR  18          2HG2      THR  18  -7.203   3.942   3.942
  123    H    GLY  19           H        GLY  19  -1.837   2.748   2.748
  124   1HA   GLY  19          2HA       GLY  19  -2.192   0.028   0.028
  125   2HA   GLY  19          1HA       GLY  19  -0.772   1.052   1.052
  126    H    THR  20           H        THR  20  -0.447  -1.613  -1.613
  127    HA   THR  20           HA       THR  20   0.835  -1.275  -1.275
  128    HB   THR  20           HB       THR  20  -0.935  -3.676  -3.676
  129    HG1  THR  20           HG1      THR  20  -2.451  -2.546  -2.546
  130   1HG2  THR  20          2HG2      THR  20   0.648  -2.496  -2.496
  131   2HG2  THR  20          1HG2      THR  20  -0.856  -3.320  -3.320
  132   3HG2  THR  20          3HG2      THR  20   0.420  -4.187  -4.187
  133    H    VAL  21           H        VAL  21   2.430  -2.985  -2.985
  134    HA   VAL  21           HA       VAL  21   3.400  -4.174  -4.174
  135    HB   VAL  21           HB       VAL  21   4.841  -3.730  -3.730
  136   1HG1  VAL  21          1HG1      VAL  21   5.618  -4.963  -4.963
  137   2HG1  VAL  21          3HG1      VAL  21   6.833  -4.126  -4.126
  138   3HG1  VAL  21          2HG1      VAL  21   5.978  -5.516  -5.516
  139   1HG2  VAL  21          3HG2      VAL  21   4.198  -1.678  -1.678
  140   2HG2  VAL  21          2HG2      VAL  21   5.929  -1.887  -1.887
  141   3HG2  VAL  21          1HG2      VAL  21   5.220  -2.313  -2.313
  142    H    ASP  22           H        ASP  22   3.965  -6.406  -6.406
  143    HA   ASP  22           HA       ASP  22   3.144  -8.039  -8.039
  144   1HB   ASP  22          2HB       ASP  22   1.541  -7.789  -7.789
  145   2HB   ASP  22          1HB       ASP  22   2.489  -9.222  -9.222
  146    H    LEU  23           H        LEU  23   5.095  -8.935  -8.935
  147    HA   LEU  23           HA       LEU  23   7.232  -9.450  -9.450
  148   1HB   LEU  23          2HB       LEU  23   6.602 -10.043 -10.043
  149   2HB   LEU  23          1HB       LEU  23   7.580 -11.296 -11.296
  150    HG   LEU  23           HG       LEU  23   9.038  -9.586  -9.586
  151   1HD1  LEU  23          2HD1      LEU  23   8.932 -10.249 -10.249
  152   2HD1  LEU  23          1HD1      LEU  23   9.707  -8.687  -8.687
  153   3HD1  LEU  23          3HD1      LEU  23  10.333 -10.127 -10.127
  154   1HD2  LEU  23          1HD2      LEU  23   7.413  -7.716  -7.716
  155   2HD2  LEU  23          3HD2      LEU  23   8.952  -7.265  -7.265
  156   3HD2  LEU  23          2HD2      LEU  23   7.574  -7.674  -7.674
  157    H    GLY  24           H        GLY  24   6.723 -10.688 -10.688
  158   1HA   GLY  24          2HA       GLY  24   6.917 -13.233 -13.233
  159   2HA   GLY  24          1HA       GLY  24   5.430 -13.336 -13.336
  160    H    SER  25           H        SER  25   3.584 -11.944 -11.944
  161    HA   SER  25           HA       SER  25   3.546 -10.902 -10.902
  162   1HB   SER  25          2HB       SER  25   2.766 -12.648 -12.648
  163   2HB   SER  25          1HB       SER  25   3.936 -13.482 -13.482
  164    HG   SER  25           HG       SER  25   2.335 -14.643 -14.643
  165    H    CYS  26           H        CYS  26   1.328 -10.348 -10.348
  166    HA   CYS  26           HA       CYS  26  -0.328  -9.516  -9.516
  167   1HB   CYS  26          2HB       CYS  26  -1.080 -10.044 -10.044
  168   2HB   CYS  26          1HB       CYS  26  -2.057  -9.131  -9.131
  169    H    ASN  27           H        ASN  27  -2.892 -10.316 -10.316
  170    HA   ASN  27           HA       ASN  27  -3.070 -13.237 -13.237
  171   1HB   ASN  27          2HB       ASN  27  -3.159 -11.755 -11.755
  172   2HB   ASN  27          1HB       ASN  27  -4.124 -13.217 -13.217
  173   1HD2  ASN  27          2HD2      ASN  27  -1.024 -15.167 -15.167
  174   2HD2  ASN  27          1HD2      ASN  27  -2.468 -14.857 -14.857
  175    H    ALA  28           H        ALA  28  -5.419 -13.906 -13.906
  176    HA   ALA  28           HA       ALA  28  -7.237 -12.450 -12.450
  177   1HB   ALA  28          2HB       ALA  28  -7.313 -14.783 -14.783
  178   2HB   ALA  28          1HB       ALA  28  -8.711 -13.786 -13.786
  179   3HB   ALA  28          3HB       ALA  28  -8.447 -14.306 -14.306
  180    H    GLY  29           H        GLY  29  -9.027 -11.072 -11.072
  181   1HA   GLY  29          2HA       GLY  29 -10.156  -9.484  -9.484
  182   2HA   GLY  29          1HA       GLY  29  -9.239 -10.063 -10.063
  183    H    TRP  30           H        TRP  30  -7.245  -9.359  -9.359
  184    HA   TRP  30           HA       TRP  30  -6.672  -6.638  -6.638
  185   1HB   TRP  30          2HB       TRP  30  -4.762  -8.842  -8.842
  186   2HB   TRP  30          1HB       TRP  30  -4.249  -7.158  -7.158
  187    HD1  TRP  30           HD1      TRP  30  -5.513 -10.059 -10.059
  188    HE1  TRP  30           HE1      TRP  30  -5.021  -9.537  -9.537
  189    HE3  TRP  30           HE3      TRP  30  -3.849  -5.249  -5.249
  190    HZ2  TRP  30           HZ2      TRP  30  -4.050  -7.366  -7.366
  191    HZ3  TRP  30           HZ3      TRP  30  -3.148  -3.979  -3.979
  192    HH2  TRP  30           HH2      TRP  30  -3.247  -5.030  -5.030
  193    H    GLU  31           H        GLU  31  -5.488  -5.247  -5.247
  194    HA   GLU  31           HA       GLU  31  -5.991  -6.031  -6.031
  195   1HB   GLU  31          2HB       GLU  31  -7.987  -4.753  -4.753
  196   2HB   GLU  31          1HB       GLU  31  -6.920  -3.391  -3.391
  197   1HG   GLU  31          2HG       GLU  31  -7.820  -2.954  -2.954
  198   2HG   GLU  31          1HG       GLU  31  -6.182  -3.545  -3.545
  199    H    LYS  32           H        LYS  32  -3.887  -5.938  -5.938
  200    HA   LYS  32           HA       LYS  32  -1.743  -4.488  -4.488
  201   1HB   LYS  32          2HB       LYS  32  -2.220  -5.984  -5.984
  202   2HB   LYS  32          1HB       LYS  32  -1.867  -4.386  -4.386
  203   1HG   LYS  32          2HG       LYS  32   0.319  -4.539  -4.539
  204   2HG   LYS  32          1HG       LYS  32  -0.056  -5.106  -5.106
  205   1HD   LYS  32          2HD       LYS  32   0.340  -7.253  -7.253
  206   2HD   LYS  32          1HD       LYS  32  -0.676  -7.126  -7.126
  207   1HE   LYS  32          2HE       LYS  32   1.099  -6.771  -6.771
  208   2HE   LYS  32          1HE       LYS  32   1.868  -5.668  -5.668
  209   1HZ   LYS  32          1HZ       LYS  32   1.821  -8.620  -8.620
  210   2HZ   LYS  32          3HZ       LYS  32   3.114  -7.755  -7.755
  211   3HZ   LYS  32          2HZ       LYS  32   2.684  -7.507  -7.507
  212    H    CYS  33           H        CYS  33  -1.357  -2.356  -2.356
  213    HA   CYS  33           HA       CYS  33  -2.883  -0.421  -0.421
  214   1HB   CYS  33          2HB       CYS  33  -2.671  -0.661  -0.661
  215   2HB   CYS  33          1HB       CYS  33  -1.994   0.883   0.883
  216    H    ALA  34           H        ALA  34   0.165  -1.638  -1.638
  217    HA   ALA  34           HA       ALA  34   1.438   0.721   0.721
  218   1HB   ALA  34          1HB       ALA  34   1.784  -0.087  -0.087
  219   2HB   ALA  34          3HB       ALA  34   3.304  -0.279  -0.279
  220   3HB   ALA  34          2HB       ALA  34   2.496   1.289   1.289
  221    H    SER  35           H        SER  35   2.091  -0.264  -0.264
  222    HA   SER  35           HA       SER  35   2.668  -2.934  -2.934
  223   1HB   SER  35          2HB       SER  35   4.527  -0.925  -0.925
  224   2HB   SER  35          1HB       SER  35   3.653  -2.244  -2.244
  225    HG   SER  35           HG       SER  35   2.050  -0.932  -0.932
  226    H    TYR  36           H        TYR  36   3.750  -3.986  -3.986
  227    HA   TYR  36           HA       TYR  36   5.705  -4.826  -4.826
  228   1HB   TYR  36          2HB       TYR  36   6.727  -3.900  -3.900
  229   2HB   TYR  36          1HB       TYR  36   7.390  -2.665  -2.665
  230    HD1  TYR  36           HD2      TYR  36   6.764  -6.343  -6.343
  231    HD2  TYR  36           HD1      TYR  36   9.624  -3.139  -3.139
  232    HE1  TYR  36           HE2      TYR  36   8.523  -7.927  -7.927
  233    HE2  TYR  36           HE1      TYR  36  11.383  -4.722  -4.722
  234    HH   TYR  36           HH       TYR  36  10.613  -8.069  -8.069
  235    H    TYR  37           H        TYR  37   7.917  -2.919  -2.919
  236    HA   TYR  37           HA       TYR  37   6.929  -0.664  -0.664
  237   1HB   TYR  37          2HB       TYR  37   5.546  -2.247  -2.247
  238   2HB   TYR  37          1HB       TYR  37   6.974  -3.192  -3.192
  239    HD1  TYR  37           HD2      TYR  37   6.865   0.506   0.506
  240    HD2  TYR  37           HD1      TYR  37   6.887  -2.937  -2.937
  241    HE1  TYR  37           HE2      TYR  37   7.262   1.970   1.970
  242    HE2  TYR  37           HE1      TYR  37   7.283  -1.472  -1.472
  243    HH   TYR  37           HH       TYR  37   7.770   2.027   2.027
  244    H    THR  38           H        THR  38   8.761  -2.859  -2.859
  245    HA   THR  38           HA       THR  38  11.191  -1.247  -1.247
  246    HB   THR  38           HB       THR  38  10.457  -1.281  -1.281
  247    HG1  THR  38           HG1      THR  38  12.743  -1.376  -1.376
  248   1HG2  THR  38          2HG2      THR  38   9.861  -3.963  -3.963
  249   2HG2  THR  38          1HG2      THR  38  11.196  -4.022  -4.022
  250   3HG2  THR  38          3HG2      THR  38   9.714  -3.158  -3.158
  251    H    ILE  39           H        ILE  39  13.268  -2.744  -2.744
  252    HA   ILE  39           HA       ILE  39  13.275  -4.731  -4.731
  253    HB   ILE  39           HB       ILE  39  15.282  -3.970  -3.970
  254   1HG1  ILE  39          2HG1      ILE  39  14.957  -2.335  -2.335
  255   2HG1  ILE  39          1HG1      ILE  39  16.515  -3.133  -3.133
  256   1HG2  ILE  39          1HG2      ILE  39  15.328  -6.173  -6.173
  257   2HG2  ILE  39          3HG2      ILE  39  16.828  -5.379  -5.379
  258   3HG2  ILE  39          2HG2      ILE  39  15.846  -6.218  -6.218
  259   1HD1  ILE  39          3HD1      ILE  39  15.269  -4.772  -4.772
  260   2HD1  ILE  39          2HD1      ILE  39  13.947  -3.605  -3.605
  261   3HD1  ILE  39          1HD1      ILE  39  15.524  -3.141  -3.141
  262    H    ILE  40           H        ILE  40  12.288  -4.859  -4.859
  263    HA   ILE  40           HA       ILE  40  12.256  -7.828  -7.828
  264    HB   ILE  40           HB       ILE  40  14.173  -6.704  -6.704
  265   1HG1  ILE  40          2HG1      ILE  40  14.006  -9.070  -9.070
  266   2HG1  ILE  40          1HG1      ILE  40  13.932  -8.715  -8.715
  267   1HG2  ILE  40          2HG2      ILE  40  12.078  -5.596  -5.596
  268   2HG2  ILE  40          1HG2      ILE  40  12.245  -7.086  -7.086
  269   3HG2  ILE  40          3HG2      ILE  40  13.607  -5.974  -5.974
  270   1HD1  ILE  40          3HD1      ILE  40  11.483  -9.087  -9.087
  271   2HD1  ILE  40          2HD1      ILE  40  12.202 -10.372 -10.372
  272   3HD1  ILE  40          1HD1      ILE  40  11.525  -8.946  -8.946
  273    H    ALA  41           H        ALA  41  10.148  -5.848  -5.848
  274    HA   ALA  41           HA       ALA  41   8.122  -7.043  -7.043
  275   1HB   ALA  41          2HB       ALA  41   9.484  -5.045  -5.045
  276   2HB   ALA  41          1HB       ALA  41   8.117  -4.169  -4.169
  277   3HB   ALA  41          3HB       ALA  41   7.835  -5.551  -5.551
  278    H    ASP  42           H        ASP  42   5.958  -5.985  -5.985
  279    HA   ASP  42           HA       ASP  42   5.929  -4.593  -4.593
  280   1HB   ASP  42          2HB       ASP  42   4.845  -7.098  -7.098
  281   2HB   ASP  42          1HB       ASP  42   3.466  -5.998  -5.998
  282    H    CYS  43           H        CYS  43   3.033  -4.237  -4.237
  283    HA   CYS  43           HA       CYS  43   2.506  -2.722  -2.722
  284   1HB   CYS  43          2HB       CYS  43   3.363  -1.399  -1.399
  285   2HB   CYS  43          1HB       CYS  43   2.016  -0.662  -0.662
  286    H    CYS  44           H        CYS  44   0.742  -4.287  -4.287
  287    HA   CYS  44           HA       CYS  44  -1.272  -3.862  -3.862
  288   1HB   CYS  44          2HB       CYS  44  -0.498  -6.094  -6.094
  289   2HB   CYS  44          1HB       CYS  44  -2.240  -5.819  -5.819
  290    H    ARG  45           H        ARG  45  -3.438  -3.282  -3.282
  291    HA   ARG  45           HA       ARG  45  -3.689  -1.950  -1.950
  292   1HB   ARG  45          2HB       ARG  45  -3.957  -0.471  -0.471
  293   2HB   ARG  45          1HB       ARG  45  -5.262  -1.501  -1.501
  294   1HG   ARG  45          2HG       ARG  45  -6.132  -1.033  -1.033
  295   2HG   ARG  45          1HG       ARG  45  -5.271   0.473   0.473
  296   1HD   ARG  45          2HD       ARG  45  -7.144  -0.626  -0.626
  297   2HD   ARG  45          1HD       ARG  45  -7.798   0.254   0.254
  298    HE   ARG  45           HE       ARG  45  -5.956   2.024   2.024
  299   1HH1  ARG  45          2HH1      ARG  45  -6.844  -0.155  -0.155
  300   2HH1  ARG  45          1HH1      ARG  45  -7.510   1.011   1.011
  301   1HH2  ARG  45          1HH2      ARG  45  -7.354   3.626   3.626
  302   2HH2  ARG  45          2HH2      ARG  45  -7.799   3.151   3.151
  303    H    LYS  46           H        LYS  46  -4.826  -3.161  -3.161
  304    HA   LYS  46           HA       LYS  46  -6.326  -5.466  -5.466
  305   1HB   LYS  46          2HB       LYS  46  -5.580  -4.338  -4.338
  306   2HB   LYS  46          1HB       LYS  46  -7.219  -3.690  -3.690
  307   1HG   LYS  46          2HG       LYS  46  -7.843  -6.201  -6.201
  308   2HG   LYS  46          1HG       LYS  46  -6.312  -6.535  -6.535
  309   1HD   LYS  46          2HD       LYS  46  -7.055  -5.428  -5.428
  310   2HD   LYS  46          1HD       LYS  46  -8.508  -4.832  -4.832
  311   1HE   LYS  46          2HE       LYS  46  -9.540  -6.907  -6.907
  312   2HE   LYS  46          1HE       LYS  46  -8.010  -7.785  -7.785
  313   1HZ   LYS  46          3HZ       LYS  46  -8.599  -6.095  -6.095
  314   2HZ   LYS  46          2HZ       LYS  46  -9.500  -7.527  -7.527
  315   3HZ   LYS  46          1HZ       LYS  46  -7.804  -7.593  -7.593
  316    H    LYS  47           H        LYS  47  -7.664  -5.057  -5.057
  317    HA   LYS  47           HA       LYS  47  -9.611  -4.361  -4.361
  318   1HB   LYS  47          2HB       LYS  47 -10.367  -4.766  -4.766
  319   2HB   LYS  47          1HB       LYS  47 -11.538  -3.950  -3.950
  320   1HG   LYS  47          2HG       LYS  47 -11.817  -5.801  -5.801
  321   2HG   LYS  47          1HG       LYS  47 -10.221  -6.451  -6.451
  322   1HD   LYS  47          2HD       LYS  47 -10.926  -7.234  -7.234
  323   2HD   LYS  47          1HD       LYS  47 -12.404  -6.271  -6.271
  324   1HE   LYS  47          2HE       LYS  47 -11.775  -8.558  -8.558
  325   2HE   LYS  47          1HE       LYS  47 -12.827  -8.681  -8.681
  326   1HZ   LYS  47          2HZ       LYS  47 -13.559  -6.453  -6.453
  327   2HZ   LYS  47          1HZ       LYS  47 -13.521  -7.849  -7.849
  328   3HZ   LYS  47          3HZ       LYS  47 -14.487  -7.810  -7.810
  329    H    LYS  48           H        LYS  48 -11.367  -2.523  -2.523
  330    HA   LYS  48           HA       LYS  48 -11.879  -0.224  -0.224
  331   1HB   LYS  48          2HB       LYS  48 -10.326  -0.720  -0.720
  332   2HB   LYS  48          1HB       LYS  48  -9.620   0.705   0.705
  333   1HG   LYS  48          2HG       LYS  48 -12.604   0.477   0.477
  334   2HG   LYS  48          1HG       LYS  48 -11.602   1.039   1.039
  335   1HD   LYS  48          2HD       LYS  48 -10.575   2.560   2.560
  336   2HD   LYS  48          1HD       LYS  48 -12.217   2.364   2.364
  337   1HE   LYS  48          2HE       LYS  48 -11.482   3.355   3.355
  338   2HE   LYS  48          1HE       LYS  48 -12.045   4.363   4.363
  339   1HZ   LYS  48          2HZ       LYS  48 -14.049   2.845   2.845
  340   2HZ   LYS  48          1HZ       LYS  48 -13.534   2.273   2.273
  341   3HZ   LYS  48          3HZ       LYS  48 -13.934   3.909   3.909
  342   1H    NH2  49          1HT       LYS  48 -10.206  -1.339  -1.339
  343   2H    NH2  49          2HT       LYS  48  -9.151  -0.111  -0.111

  Start of MODEL   17
    1   1H    ALA   1          3H        ALA   1   3.439  -3.119  -3.119
    2   2H    ALA   1          2H        ALA   1   4.781  -3.708  -3.708
    3   3H    ALA   1          1H        ALA   1   3.761  -2.545  -2.545
    4    HA   ALA   1           HA       ALA   1   5.392  -1.150  -1.150
    5   1HB   ALA   1          1HB       ALA   1   5.898  -3.259  -3.259
    6   2HB   ALA   1          3HB       ALA   1   6.655  -1.670  -1.670
    7   3HB   ALA   1          2HB       ALA   1   6.972  -2.710  -2.710
    8    H    ALA   2           H        ALA   2   2.999  -0.316  -0.316
    9    HA   ALA   2           HA       ALA   2   1.692  -0.098  -0.098
   10   1HB   ALA   2          2HB       ALA   2   1.491   1.191   1.191
   11   2HB   ALA   2          1HB       ALA   2   1.969   2.507   2.507
   12   3HB   ALA   2          3HB       ALA   2   0.517   1.570   1.570
   13    H    CYS   3           H        CYS   3   1.832   1.373   1.373
   14    HA   CYS   3           HA       CYS   3   4.333   2.955   2.955
   15   1HB   CYS   3          2HB       CYS   3   4.900   1.960   1.960
   16   2HB   CYS   3          1HB       CYS   3   4.794   0.683   0.683
   17    H    LYS   4           H        LYS   4   1.168   3.104   3.104
   18    HA   LYS   4           HA       LYS   4  -0.341   4.646   4.646
   19   1HB   LYS   4          2HB       LYS   4   2.302   5.734   5.734
   20   2HB   LYS   4          1HB       LYS   4   1.131   6.143   6.143
   21   1HG   LYS   4          2HG       LYS   4  -0.381   7.095   7.095
   22   2HG   LYS   4          1HG       LYS   4   0.625   6.527   6.527
   23   1HD   LYS   4          2HD       LYS   4   1.434   8.565   8.565
   24   2HD   LYS   4          1HD       LYS   4   1.039   8.911   8.911
   25   1HE   LYS   4          2HE       LYS   4   3.362   7.254   7.254
   26   2HE   LYS   4          1HE       LYS   4   3.451   8.810   8.810
   27   1HZ   LYS   4          1HZ       LYS   4   2.190   7.591   7.591
   28   2HZ   LYS   4          3HZ       LYS   4   2.723   6.172   6.172
   29   3HZ   LYS   4          2HZ       LYS   4   3.854   7.298   7.298
   30    H    CYS   5           H        CYS   5  -1.524   4.931   4.931
   31    HA   CYS   5           HA       CYS   5  -1.009   2.725   2.725
   32   1HB   CYS   5          2HB       CYS   5  -3.323   4.289   4.289
   33   2HB   CYS   5          1HB       CYS   5  -3.237   4.136   4.136
   34    H    ASP   6           H        ASP   6  -1.336   3.281   3.281
   35    HA   ASP   6           HA       ASP   6   0.635   5.189   5.189
   36   1HB   ASP   6          2HB       ASP   6  -0.037   4.688   4.688
   37   2HB   ASP   6          1HB       ASP   6  -0.161   3.188   3.188
   38    H    ASP   7           H        ASP   7  -2.853   5.411   5.411
   39    HA   ASP   7           HA       ASP   7  -2.637   8.333   8.333
   40   1HB   ASP   7          2HB       ASP   7  -4.724   6.354   6.354
   41   2HB   ASP   7          1HB       ASP   7  -5.100   8.073   8.073
   42    H    GLU   8           H        GLU   8  -2.306   7.521   7.521
   43    HA   GLU   8           HA       GLU   8  -4.508   6.996   6.996
   44   1HB   GLU   8          2HB       GLU   8  -3.243   8.631   8.631
   45   2HB   GLU   8          1HB       GLU   8  -2.500   7.102   7.102
   46   1HG   GLU   8          2HG       GLU   8  -0.842   8.129   8.129
   47   2HG   GLU   8          1HG       GLU   8  -1.955   9.280   9.280
   48    H    GLY   9           H        GLY   9  -3.497  10.119  10.119
   49   1HA   GLY   9          2HA       GLY   9  -5.530  11.529  11.529
   50   2HA   GLY   9          1HA       GLY   9  -6.075  11.271  11.271
   51    HA   PRO  10           HA       PRO  10  -3.177  14.992  14.992
   52   1HB   PRO  10          2HB       PRO  10  -5.054  16.975  16.975
   53   2HB   PRO  10          1HB       PRO  10  -4.319  16.191  16.191
   54   1HG   PRO  10          2HG       PRO  10  -7.050  15.874  15.874
   55   2HG   PRO  10          1HG       PRO  10  -6.478  15.652  15.652
   56   1HD   PRO  10          2HD       PRO  10  -7.026  13.595  13.595
   57   2HD   PRO  10          1HD       PRO  10  -6.184  13.406  13.406
   58    H    ASP  11           H        ASP  11  -3.332  13.877  13.877
   59    HA   ASP  11           HA       ASP  11  -5.189  14.911  14.911
   60   1HB   ASP  11          2HB       ASP  11  -2.397  13.903  13.903
   61   2HB   ASP  11          1HB       ASP  11  -3.809  13.853  13.853
   62    H    ILE  12           H        ILE  12  -3.839  15.956  15.956
   63    HA   ILE  12           HA       ILE  12  -2.472  18.370  18.370
   64    HB   ILE  12           HB       ILE  12  -4.783  18.869  18.869
   65   1HG1  ILE  12          2HG1      ILE  12  -2.929  20.070  20.070
   66   2HG1  ILE  12          1HG1      ILE  12  -2.634  20.382  20.382
   67   1HG2  ILE  12          2HG2      ILE  12  -4.708  17.038  17.038
   68   2HG2  ILE  12          1HG2      ILE  12  -3.749  18.148  18.148
   69   3HG2  ILE  12          3HG2      ILE  12  -5.399  18.575  18.575
   70   1HD1  ILE  12          3HD1      ILE  12  -5.385  20.745  20.745
   71   2HD1  ILE  12          2HD1      ILE  12  -4.703  21.470  21.470
   72   3HD1  ILE  12          1HD1      ILE  12  -4.177  22.023  22.023
   73    H    ARG  13           H        ARG  13  -2.814  16.185  16.185
   74    HA   ARG  13           HA       ARG  13  -0.393  17.313  17.313
   75   1HB   ARG  13          2HB       ARG  13  -2.669  15.986  15.986
   76   2HB   ARG  13          1HB       ARG  13  -1.352  14.830  14.830
   77   1HG   ARG  13          2HG       ARG  13  -0.968  15.994  15.994
   78   2HG   ARG  13          1HG       ARG  13  -0.144  17.120  17.120
   79   1HD   ARG  13          2HD       ARG  13  -2.349  18.322  18.322
   80   2HD   ARG  13          1HD       ARG  13  -3.001  17.295  17.295
   81    HE   ARG  13           HE       ARG  13  -0.899  19.368  19.368
   82   1HH1  ARG  13          2HH1      ARG  13  -0.119  17.562  17.562
   83   2HH1  ARG  13          1HH1      ARG  13  -1.230  17.784  17.784
   84   1HH2  ARG  13          1HH2      ARG  13  -3.605  19.404  19.404
   85   2HH2  ARG  13          2HH2      ARG  13  -3.204  18.826  18.826
   86    H    THR  14           H        THR  14  -1.363  13.954  13.954
   87    HA   THR  14           HA       THR  14   1.237  13.541  13.541
   88    HB   THR  14           HB       THR  14   1.056  11.291  11.291
   89    HG1  THR  14           HG1      THR  14   1.074  12.498  12.498
   90   1HG2  THR  14          3HG2      THR  14   2.731  13.777  13.777
   91   2HG2  THR  14          2HG2      THR  14   2.965  12.615  12.615
   92   3HG2  THR  14          1HG2      THR  14   3.187  12.114  12.114
   93    H    ALA  15           H        ALA  15  -1.097  11.245  11.245
   94    HA   ALA  15           HA       ALA  15  -2.730  10.753  10.753
   95   1HB   ALA  15          3HB       ALA  15  -0.009   9.909   9.909
   96   2HB   ALA  15          2HB       ALA  15  -1.085   8.511   8.511
   97   3HB   ALA  15          1HB       ALA  15  -1.394   9.863   9.863
   98    HA   PRO  16           HA       PRO  16  -4.157   7.796   7.796
   99   1HB   PRO  16          2HB       PRO  16  -6.072   6.633   6.633
  100   2HB   PRO  16          1HB       PRO  16  -6.235   8.254   8.254
  101   1HG   PRO  16          2HG       PRO  16  -5.713   7.450   7.450
  102   2HG   PRO  16          1HG       PRO  16  -6.447   8.932   8.932
  103   1HD   PRO  16          2HD       PRO  16  -3.773   8.621   8.621
  104   2HD   PRO  16          1HD       PRO  16  -4.453  10.042  10.042
  105    H    LEU  17           H        LEU  17  -1.965   6.987   6.987
  106    HA   LEU  17           HA       LEU  17  -0.981   5.008   5.008
  107   1HB   LEU  17          2HB       LEU  17  -1.759   4.678   4.678
  108   2HB   LEU  17          1HB       LEU  17  -1.448   3.166   3.166
  109    HG   LEU  17           HG       LEU  17   0.741   4.045   4.045
  110   1HD1  LEU  17          1HD1      LEU  17   0.067   6.449   6.449
  111   2HD1  LEU  17          3HD1      LEU  17   0.083   6.405   6.405
  112   3HD1  LEU  17          2HD1      LEU  17   1.579   6.159   6.159
  113   1HD2  LEU  17          2HD2      LEU  17   0.421   2.819   2.819
  114   2HD2  LEU  17          1HD2      LEU  17   1.860   3.835   3.835
  115   3HD2  LEU  17          3HD2      LEU  17   0.435   4.398   4.398
  116    H    THR  18           H        THR  18  -2.933   5.018   5.018
  117    HA   THR  18           HA       THR  18  -4.916   2.905   2.905
  118    HB   THR  18           HB       THR  18  -5.837   3.541   3.541
  119    HG1  THR  18           HG1      THR  18  -4.770   4.924   4.924
  120   1HG2  THR  18          2HG2      THR  18  -5.789   5.100   5.100
  121   2HG2  THR  18          1HG2      THR  18  -5.221   6.230   6.230
  122   3HG2  THR  18          3HG2      THR  18  -6.780   5.428   5.428
  123    H    GLY  19           H        GLY  19  -1.820   2.607   2.607
  124   1HA   GLY  19          2HA       GLY  19  -2.179   0.423   0.423
  125   2HA   GLY  19          1HA       GLY  19  -0.716   1.406   1.406
  126    H    THR  20           H        THR  20  -1.390  -1.585  -1.585
  127    HA   THR  20           HA       THR  20   0.006  -1.736  -1.736
  128    HB   THR  20           HB       THR  20  -1.940  -3.718  -3.718
  129    HG1  THR  20           HG1      THR  20  -2.110  -1.704  -1.704
  130   1HG2  THR  20          3HG2      THR  20  -0.411  -3.716  -3.716
  131   2HG2  THR  20          2HG2      THR  20  -1.733  -4.822  -4.822
  132   3HG2  THR  20          1HG2      THR  20  -0.244  -4.873  -4.873
  133    H    VAL  21           H        VAL  21   1.906  -2.888  -2.888
  134    HA   VAL  21           HA       VAL  21   2.732  -4.146  -4.146
  135    HB   VAL  21           HB       VAL  21   4.365  -3.110  -3.110
  136   1HG1  VAL  21          2HG1      VAL  21   5.322  -5.159  -5.159
  137   2HG1  VAL  21          1HG1      VAL  21   5.337  -4.266  -4.266
  138   3HG1  VAL  21          3HG1      VAL  21   6.331  -3.722  -3.722
  139   1HG2  VAL  21          1HG2      VAL  21   3.262  -1.510  -1.510
  140   2HG2  VAL  21          3HG2      VAL  21   4.997  -1.339  -1.339
  141   3HG2  VAL  21          2HG2      VAL  21   4.400  -2.180  -2.180
  142    H    ASP  22           H        ASP  22   2.681  -6.337  -6.337
  143    HA   ASP  22           HA       ASP  22   2.855  -7.780  -7.780
  144   1HB   ASP  22          2HB       ASP  22   1.478  -8.377  -8.377
  145   2HB   ASP  22          1HB       ASP  22   1.922  -9.702  -9.702
  146    H    LEU  23           H        LEU  23   5.111  -8.000  -8.000
  147    HA   LEU  23           HA       LEU  23   7.001  -8.500  -8.500
  148   1HB   LEU  23          2HB       LEU  23   6.875  -9.885  -9.885
  149   2HB   LEU  23          1HB       LEU  23   8.318  -9.679  -9.679
  150    HG   LEU  23           HG       LEU  23   6.834  -7.185  -7.185
  151   1HD1  LEU  23          1HD1      LEU  23   6.915  -8.813  -8.813
  152   2HD1  LEU  23          3HD1      LEU  23   8.528  -8.109  -8.109
  153   3HD1  LEU  23          2HD1      LEU  23   7.107  -7.064  -7.064
  154   1HD2  LEU  23          1HD2      LEU  23   9.201  -7.683  -7.683
  155   2HD2  LEU  23          3HD2      LEU  23   8.976  -6.266  -6.266
  156   3HD2  LEU  23          2HD2      LEU  23   9.723  -7.721  -7.721
  157    H    GLY  24           H        GLY  24   7.617 -10.264 -10.264
  158   1HA   GLY  24          2HA       GLY  24   7.659 -12.589 -12.589
  159   2HA   GLY  24          1HA       GLY  24   6.315 -12.880 -12.880
  160    H    SER  25           H        SER  25   4.342 -11.271 -11.271
  161    HA   SER  25           HA       SER  25   3.892 -10.666 -10.666
  162   1HB   SER  25          2HB       SER  25   4.239 -12.946 -12.946
  163   2HB   SER  25          1HB       SER  25   3.271 -13.539 -13.539
  164    HG   SER  25           HG       SER  25   2.420 -12.131 -12.131
  165    H    CYS  26           H        CYS  26   1.809  -9.812  -9.812
  166    HA   CYS  26           HA       CYS  26   0.338  -9.003  -9.003
  167   1HB   CYS  26          2HB       CYS  26  -0.701  -9.598  -9.598
  168   2HB   CYS  26          1HB       CYS  26  -1.570  -8.666  -8.666
  169    H    ASN  27           H        ASN  27  -1.756  -9.757  -9.757
  170    HA   ASN  27           HA       ASN  27  -1.885 -12.730 -12.730
  171   1HB   ASN  27          2HB       ASN  27  -2.081 -10.799 -10.799
  172   2HB   ASN  27          1HB       ASN  27  -3.719 -11.418 -11.418
  173   1HD2  ASN  27          2HD2      ASN  27  -0.838 -13.825 -13.825
  174   2HD2  ASN  27          1HD2      ASN  27  -0.455 -12.270 -12.270
  175    H    ALA  28           H        ALA  28  -4.048 -13.740 -13.740
  176    HA   ALA  28           HA       ALA  28  -5.573 -12.802 -12.802
  177   1HB   ALA  28          2HB       ALA  28  -5.440 -15.163 -15.163
  178   2HB   ALA  28          1HB       ALA  28  -6.920 -14.535 -14.535
  179   3HB   ALA  28          3HB       ALA  28  -6.806 -14.724 -14.724
  180    H    GLY  29           H        GLY  29  -7.742 -11.921 -11.921
  181   1HA   GLY  29          2HA       GLY  29  -9.623 -10.814 -10.814
  182   2HA   GLY  29          1HA       GLY  29  -8.788 -10.838 -10.838
  183    H    TRP  30           H        TRP  30  -6.359  -9.843  -9.843
  184    HA   TRP  30           HA       TRP  30  -7.111  -6.967  -6.967
  185   1HB   TRP  30          2HB       TRP  30  -4.445  -8.398  -8.398
  186   2HB   TRP  30          1HB       TRP  30  -4.577  -6.643  -6.643
  187    HD1  TRP  30           HD1      TRP  30  -6.049  -9.421  -9.421
  188    HE1  TRP  30           HE1      TRP  30  -6.111  -8.523  -8.523
  189    HE3  TRP  30           HE3      TRP  30  -4.227  -4.712  -4.712
  190    HZ2  TRP  30           HZ2      TRP  30  -5.473  -6.124  -6.124
  191    HZ3  TRP  30           HZ3      TRP  30  -3.964  -3.142  -3.142
  192    HH2  TRP  30           HH2      TRP  30  -4.585  -3.842  -3.842
  193    H    GLU  31           H        GLU  31  -6.049  -5.507  -5.507
  194    HA   GLU  31           HA       GLU  31  -6.010  -6.870  -6.870
  195   1HB   GLU  31          2HB       GLU  31  -7.707  -4.843  -4.843
  196   2HB   GLU  31          1HB       GLU  31  -6.490  -3.990  -3.990
  197   1HG   GLU  31          2HG       GLU  31  -7.913  -4.591  -4.591
  198   2HG   GLU  31          1HG       GLU  31  -6.914  -6.045  -6.045
  199    H    LYS  32           H        LYS  32  -4.947  -4.871  -4.871
  200    HA   LYS  32           HA       LYS  32  -2.226  -4.562  -4.562
  201   1HB   LYS  32          2HB       LYS  32  -2.883  -5.774  -5.774
  202   2HB   LYS  32          1HB       LYS  32  -2.618  -4.127  -4.127
  203   1HG   LYS  32          2HG       LYS  32  -0.402  -4.520  -4.520
  204   2HG   LYS  32          1HG       LYS  32  -0.520  -4.667  -4.667
  205   1HD   LYS  32          2HD       LYS  32   0.005  -6.846  -6.846
  206   2HD   LYS  32          1HD       LYS  32  -1.495  -7.099  -7.099
  207   1HE   LYS  32          2HE       LYS  32   0.027  -6.032  -6.032
  208   2HE   LYS  32          1HE       LYS  32   1.285  -6.817  -6.817
  209   1HZ   LYS  32          1HZ       LYS  32  -0.755  -8.639  -8.639
  210   2HZ   LYS  32          3HZ       LYS  32  -0.703  -7.986  -7.986
  211   3HZ   LYS  32          2HZ       LYS  32   0.691  -8.688  -8.688
  212    H    CYS  33           H        CYS  33  -1.480  -2.519  -2.519
  213    HA   CYS  33           HA       CYS  33  -3.059  -0.260  -0.260
  214   1HB   CYS  33          2HB       CYS  33  -2.709  -0.830  -0.830
  215   2HB   CYS  33          1HB       CYS  33  -1.399   0.312   0.312
  216    H    ALA  34           H        ALA  34   0.084  -1.673  -1.673
  217    HA   ALA  34           HA       ALA  34   1.238   0.457   0.457
  218   1HB   ALA  34          3HB       ALA  34   1.750   0.286   0.286
  219   2HB   ALA  34          2HB       ALA  34   3.149  -0.471  -0.471
  220   3HB   ALA  34          1HB       ALA  34   2.700   1.181   1.181
  221    H    SER  35           H        SER  35   1.957  -0.655  -0.655
  222    HA   SER  35           HA       SER  35   2.326  -3.407  -3.407
  223   1HB   SER  35          2HB       SER  35   3.575  -2.961  -2.961
  224   2HB   SER  35          1HB       SER  35   2.458  -1.607  -1.607
  225    HG   SER  35           HG       SER  35   4.836  -1.210  -1.210
  226    H    TYR  36           H        TYR  36   3.359  -4.345  -4.345
  227    HA   TYR  36           HA       TYR  36   5.274  -5.220  -5.220
  228   1HB   TYR  36          2HB       TYR  36   6.317  -4.572  -4.572
  229   2HB   TYR  36          1HB       TYR  36   7.080  -3.295  -3.295
  230    HD1  TYR  36           HD1      TYR  36   6.191  -6.836  -6.836
  231    HD2  TYR  36           HD2      TYR  36   9.305  -3.913  -3.913
  232    HE1  TYR  36           HE1      TYR  36   7.848  -8.466  -8.466
  233    HE2  TYR  36           HE2      TYR  36  10.962  -5.543  -5.543
  234    HH   TYR  36           HH       TYR  36  10.286  -8.854  -8.854
  235    H    TYR  37           H        TYR  37   7.616  -3.390  -3.390
  236    HA   TYR  37           HA       TYR  37   6.790  -0.965  -0.965
  237   1HB   TYR  37          2HB       TYR  37   5.355  -2.356  -2.356
  238   2HB   TYR  37          1HB       TYR  37   6.743  -3.334  -3.334
  239    HD1  TYR  37           HD2      TYR  37   6.987   0.303   0.303
  240    HD2  TYR  37           HD1      TYR  37   6.555  -2.830  -2.830
  241    HE1  TYR  37           HE2      TYR  37   7.503   1.913   1.913
  242    HE2  TYR  37           HE1      TYR  37   7.070  -1.221  -1.221
  243    HH   TYR  37           HH       TYR  37   7.939   0.849   0.849
  244    H    THR  38           H        THR  38   8.556  -3.152  -3.152
  245    HA   THR  38           HA       THR  38  11.064  -1.751  -1.751
  246    HB   THR  38           HB       THR  38  10.386  -1.440  -1.440
  247    HG1  THR  38           HG1      THR  38  12.405  -1.584  -1.584
  248   1HG2  THR  38          1HG2      THR  38   9.632  -4.135  -4.135
  249   2HG2  THR  38          3HG2      THR  38  10.995  -4.124  -4.124
  250   3HG2  THR  38          2HG2      THR  38   9.573  -3.134  -3.134
  251    H    ILE  39           H        ILE  39  13.041  -3.339  -3.339
  252    HA   ILE  39           HA       ILE  39  12.861  -5.545  -5.545
  253    HB   ILE  39           HB       ILE  39  14.943  -4.720  -4.720
  254   1HG1  ILE  39          2HG1      ILE  39  16.125  -4.595  -4.595
  255   2HG1  ILE  39          1HG1      ILE  39  14.451  -4.345  -4.345
  256   1HG2  ILE  39          2HG2      ILE  39  14.666  -7.215  -7.215
  257   2HG2  ILE  39          1HG2      ILE  39  16.256  -6.451  -6.451
  258   3HG2  ILE  39          3HG2      ILE  39  15.529  -6.933  -6.933
  259   1HD1  ILE  39          2HD1      ILE  39  15.273  -2.801  -2.801
  260   2HD1  ILE  39          1HD1      ILE  39  16.092  -2.349  -2.349
  261   3HD1  ILE  39          3HD1      ILE  39  14.332  -2.293  -2.293
  262    H    ILE  40           H        ILE  40  11.957  -5.229  -5.229
  263    HA   ILE  40           HA       ILE  40  11.632  -8.183  -8.183
  264    HB   ILE  40           HB       ILE  40  13.699  -7.125  -7.125
  265   1HG1  ILE  40          2HG1      ILE  40  13.283  -9.461  -9.461
  266   2HG1  ILE  40          1HG1      ILE  40  13.313  -8.913  -8.913
  267   1HG2  ILE  40          2HG2      ILE  40  11.741  -5.689  -5.689
  268   2HG2  ILE  40          1HG2      ILE  40  11.877  -7.061  -7.061
  269   3HG2  ILE  40          3HG2      ILE  40  13.293  -6.071  -6.071
  270   1HD1  ILE  40          3HD1      ILE  40  10.772  -9.206  -9.206
  271   2HD1  ILE  40          2HD1      ILE  40  11.392 -10.453 -10.453
  272   3HD1  ILE  40          1HD1      ILE  40  10.899  -8.889  -8.889
  273    H    ALA  41           H        ALA  41   9.678  -6.127  -6.127
  274    HA   ALA  41           HA       ALA  41   7.647  -6.913  -6.913
  275   1HB   ALA  41          2HB       ALA  41   9.203  -4.840  -4.840
  276   2HB   ALA  41          1HB       ALA  41   7.859  -3.987  -3.987
  277   3HB   ALA  41          3HB       ALA  41   7.548  -5.170  -5.170
  278    H    ASP  42           H        ASP  42   5.546  -5.790  -5.790
  279    HA   ASP  42           HA       ASP  42   5.471  -4.629  -4.629
  280   1HB   ASP  42          2HB       ASP  42   3.878  -6.913  -6.913
  281   2HB   ASP  42          1HB       ASP  42   3.208  -5.918  -5.918
  282    H    CYS  43           H        CYS  43   3.196  -3.618  -3.618
  283    HA   CYS  43           HA       CYS  43   2.230  -2.420  -2.420
  284   1HB   CYS  43          2HB       CYS  43   3.115  -1.069  -1.069
  285   2HB   CYS  43          1HB       CYS  43   1.871  -0.320  -0.320
  286    H    CYS  44           H        CYS  44   0.385  -3.792  -3.792
  287    HA   CYS  44           HA       CYS  44  -1.391  -3.569  -3.569
  288   1HB   CYS  44          2HB       CYS  44  -1.124  -5.499  -5.499
  289   2HB   CYS  44          1HB       CYS  44  -2.702  -5.320  -5.320
  290    H    ARG  45           H        ARG  45  -3.864  -3.678  -3.678
  291    HA   ARG  45           HA       ARG  45  -4.203  -1.742  -1.742
  292   1HB   ARG  45          2HB       ARG  45  -4.183  -0.410  -0.410
  293   2HB   ARG  45          1HB       ARG  45  -5.446  -1.437  -1.437
  294   1HG   ARG  45          2HG       ARG  45  -6.347  -0.594  -0.594
  295   2HG   ARG  45          1HG       ARG  45  -5.733   0.837   0.837
  296   1HD   ARG  45          2HD       ARG  45  -7.762  -1.125  -1.125
  297   2HD   ARG  45          1HD       ARG  45  -8.106   0.507   0.507
  298    HE   ARG  45           HE       ARG  45  -6.180   0.169   0.169
  299   1HH1  ARG  45          2HH1      ARG  45  -9.470   0.529   0.529
  300   2HH1  ARG  45          1HH1      ARG  45  -9.756   1.809   1.809
  301   1HH2  ARG  45          1HH2      ARG  45  -6.420   2.124   2.124
  302   2HH2  ARG  45          2HH2      ARG  45  -8.029   2.711   2.711
  303    H    LYS  46           H        LYS  46  -5.485  -2.876  -2.876
  304    HA   LYS  46           HA       LYS  46  -7.032  -5.119  -5.119
  305   1HB   LYS  46          2HB       LYS  46  -6.691  -4.200  -4.200
  306   2HB   LYS  46          1HB       LYS  46  -7.725  -2.826  -2.826
  307   1HG   LYS  46          2HG       LYS  46  -9.619  -4.021  -4.021
  308   2HG   LYS  46          1HG       LYS  46  -8.994  -5.407  -5.407
  309   1HD   LYS  46          2HD       LYS  46  -7.479  -5.258  -5.258
  310   2HD   LYS  46          1HD       LYS  46  -9.164  -5.032  -5.032
  311   1HE   LYS  46          2HE       LYS  46  -9.181  -7.088  -7.088
  312   2HE   LYS  46          1HE       LYS  46  -7.832  -7.452  -7.452
  313   1HZ   LYS  46          2HZ       LYS  46  -9.623  -6.794  -6.794
  314   2HZ   LYS  46          1HZ       LYS  46 -10.690  -7.315  -7.315
  315   3HZ   LYS  46          3HZ       LYS  46  -9.510  -8.375  -8.375
  316    H    LYS  47           H        LYS  47  -8.479  -5.370  -5.370
  317    HA   LYS  47           HA       LYS  47  -9.854  -3.339  -3.339
  318   1HB   LYS  47          2HB       LYS  47 -11.323  -5.087  -5.087
  319   2HB   LYS  47          1HB       LYS  47  -9.684  -5.731  -5.731
  320   1HG   LYS  47          2HG       LYS  47 -10.475  -6.429  -6.429
  321   2HG   LYS  47          1HG       LYS  47 -12.077  -6.338  -6.338
  322   1HD   LYS  47          2HD       LYS  47 -11.150  -7.804  -7.804
  323   2HD   LYS  47          1HD       LYS  47  -9.750  -8.079  -8.079
  324   1HE   LYS  47          2HE       LYS  47 -11.107  -9.078  -9.078
  325   2HE   LYS  47          1HE       LYS  47 -12.594  -8.576  -8.576
  326   1HZ   LYS  47          1HZ       LYS  47 -10.647 -10.327 -10.327
  327   2HZ   LYS  47          3HZ       LYS  47 -11.809 -10.972 -10.972
  328   3HZ   LYS  47          2HZ       LYS  47 -12.298 -10.116 -10.116
  329    H    LYS  48           H        LYS  48 -12.368  -3.153  -3.153
  330    HA   LYS  48           HA       LYS  48 -14.288  -2.477  -2.477
  331   1HB   LYS  48          2HB       LYS  48 -13.211  -4.755  -4.755
  332   2HB   LYS  48          1HB       LYS  48 -14.144  -3.645  -3.645
  333   1HG   LYS  48          2HG       LYS  48 -15.921  -4.843  -4.843
  334   2HG   LYS  48          1HG       LYS  48 -15.750  -3.780  -3.780
  335   1HD   LYS  48          2HD       LYS  48 -15.018  -5.461  -5.461
  336   2HD   LYS  48          1HD       LYS  48 -13.951  -6.099  -6.099
  337   1HE   LYS  48          2HE       LYS  48 -15.546  -7.811  -7.811
  338   2HE   LYS  48          1HE       LYS  48 -16.141  -6.918  -6.918
  339   1HZ   LYS  48          3HZ       LYS  48 -17.447  -5.577  -5.577
  340   2HZ   LYS  48          2HZ       LYS  48 -17.127  -6.865  -6.865
  341   3HZ   LYS  48          1HZ       LYS  48 -17.997  -7.137  -7.137
  342   1H    NH2  49          1HT       LYS  48 -12.435  -2.857  -2.857
  343   2H    NH2  49          2HT       LYS  48 -12.266  -1.197  -1.197

  Start of MODEL   18
    1   1H    ALA   1          3H        ALA   1   3.881  -1.793  -1.793
    2   2H    ALA   1          2H        ALA   1   5.318  -2.691  -2.691
    3   3H    ALA   1          1H        ALA   1   4.405  -2.748  -2.748
    4    HA   ALA   1           HA       ALA   1   5.379  -0.950  -0.950
    5   1HB   ALA   1          3HB       ALA   1   7.142  -2.157  -2.157
    6   2HB   ALA   1          2HB       ALA   1   7.222  -0.451  -0.451
    7   3HB   ALA   1          1HB       ALA   1   7.573  -0.951  -0.951
    8    H    ALA   2           H        ALA   2   3.082  -0.154  -0.154
    9    HA   ALA   2           HA       ALA   2   2.002   1.738   1.738
   10   1HB   ALA   2          2HB       ALA   2   4.307   2.649   2.649
   11   2HB   ALA   2          1HB       ALA   2   4.211   3.578   3.578
   12   3HB   ALA   2          3HB       ALA   2   2.847   3.563   3.563
   13    H    CYS   3           H        CYS   3   1.780   2.895   2.895
   14    HA   CYS   3           HA       CYS   3   3.730   3.218   3.218
   15   1HB   CYS   3          2HB       CYS   3   4.109   0.855   0.855
   16   2HB   CYS   3          1HB       CYS   3   2.381   0.508   0.508
   17    H    LYS   4           H        LYS   4   2.779   4.591   4.591
   18    HA   LYS   4           HA       LYS   4  -0.076   5.063   5.063
   19   1HB   LYS   4          2HB       LYS   4   2.279   6.249   6.249
   20   2HB   LYS   4          1HB       LYS   4   0.847   6.283   6.283
   21   1HG   LYS   4          2HG       LYS   4   0.515   8.234   8.234
   22   2HG   LYS   4          1HG       LYS   4  -0.322   7.089   7.089
   23   1HD   LYS   4          2HD       LYS   4   1.078   8.280   8.280
   24   2HD   LYS   4          1HD       LYS   4   1.968   6.790   6.790
   25   1HE   LYS   4          2HE       LYS   4   2.954   8.246   8.246
   26   2HE   LYS   4          1HE       LYS   4   2.539   9.572   9.572
   27   1HZ   LYS   4          1HZ       LYS   4   3.766   8.333   8.333
   28   2HZ   LYS   4          3HZ       LYS   4   4.316   7.266   7.266
   29   3HZ   LYS   4          2HZ       LYS   4   4.741   8.910   8.910
   30    H    CYS   5           H        CYS   5  -1.210   5.183   5.183
   31    HA   CYS   5           HA       CYS   5  -0.939   2.444   2.444
   32   1HB   CYS   5          2HB       CYS   5  -3.154   4.333   4.333
   33   2HB   CYS   5          1HB       CYS   5  -3.155   3.573   3.573
   34    H    ASP   6           H        ASP   6  -1.592   2.453   2.453
   35    HA   ASP   6           HA       ASP   6   0.497   3.454   3.454
   36   1HB   ASP   6          2HB       ASP   6  -2.031   2.268   2.268
   37   2HB   ASP   6          1HB       ASP   6  -1.884   3.676   3.676
   38    H    ASP   7           H        ASP   7  -2.456   5.163   5.163
   39    HA   ASP   7           HA       ASP   7  -1.304   7.732   7.732
   40   1HB   ASP   7          2HB       ASP   7  -0.976   7.543   7.543
   41   2HB   ASP   7          1HB       ASP   7  -2.613   6.930   6.930
   42    H    GLU   8           H        GLU   8  -2.672   8.119   8.119
   43    HA   GLU   8           HA       GLU   8  -5.551   7.618   7.618
   44   1HB   GLU   8          2HB       GLU   8  -4.162   9.229   9.229
   45   2HB   GLU   8          1HB       GLU   8  -5.674   8.329   8.329
   46   1HG   GLU   8          2HG       GLU   8  -3.626   6.525   6.525
   47   2HG   GLU   8          1HG       GLU   8  -3.035   7.400   7.400
   48    H    GLY   9           H        GLY   9  -3.739   9.849   9.849
   49   1HA   GLY   9          2HA       GLY   9  -5.752  11.580  11.580
   50   2HA   GLY   9          1HA       GLY   9  -5.141  12.301  12.301
   51    HA   PRO  10           HA       PRO  10  -2.369  13.437  13.437
   52   1HB   PRO  10          2HB       PRO  10  -3.292  15.986  15.986
   53   2HB   PRO  10          1HB       PRO  10  -3.954  14.573  14.573
   54   1HG   PRO  10          2HG       PRO  10  -5.121  16.165  16.165
   55   2HG   PRO  10          1HG       PRO  10  -5.932  15.218  15.218
   56   1HD   PRO  10          2HD       PRO  10  -5.527  14.430  14.430
   57   2HD   PRO  10          1HD       PRO  10  -6.066  13.383  13.383
   58    H    ASP  11           H        ASP  11  -3.523  15.380  15.380
   59    HA   ASP  11           HA       ASP  11  -1.348  17.163  17.163
   60   1HB   ASP  11          2HB       ASP  11  -3.228  15.894  15.894
   61   2HB   ASP  11          1HB       ASP  11  -1.948  16.978  16.978
   62    H    ILE  12           H        ILE  12  -0.138  16.696  16.696
   63    HA   ILE  12           HA       ILE  12   1.920  14.810  14.810
   64    HB   ILE  12           HB       ILE  12   1.599  15.572  15.572
   65   1HG1  ILE  12          2HG1      ILE  12   0.887  17.659  17.659
   66   2HG1  ILE  12          1HG1      ILE  12   2.615  17.855  17.855
   67   1HG2  ILE  12          2HG2      ILE  12   3.580  14.426  14.426
   68   2HG2  ILE  12          1HG2      ILE  12   4.018  16.113  16.113
   69   3HG2  ILE  12          3HG2      ILE  12   3.896  15.487  15.487
   70   1HD1  ILE  12          2HD1      ILE  12   2.460  16.755  16.755
   71   2HD1  ILE  12          1HD1      ILE  12   1.158  17.942  17.942
   72   3HD1  ILE  12          3HD1      ILE  12   2.815  18.436  18.436
   73    H    ARG  13           H        ARG  13   0.757  12.884  12.884
   74    HA   ARG  13           HA       ARG  13  -1.064  11.399  11.399
   75   1HB   ARG  13          2HB       ARG  13   0.688   9.407   9.407
   76   2HB   ARG  13          1HB       ARG  13   0.060  10.185  10.185
   77   1HG   ARG  13          2HG       ARG  13   2.064  11.133  11.133
   78   2HG   ARG  13          1HG       ARG  13   2.413  11.519  11.519
   79   1HD   ARG  13          2HD       ARG  13   2.442   8.641   8.641
   80   2HD   ARG  13          1HD       ARG  13   3.790   9.644   9.644
   81    HE   ARG  13           HE       ARG  13   3.364   8.727   8.727
   82   1HH1  ARG  13          2HH1      ARG  13   2.999  11.499  11.499
   83   2HH1  ARG  13          1HH1      ARG  13   4.609  12.133  12.133
   84   1HH2  ARG  13          1HH2      ARG  13   6.036   9.510   9.510
   85   2HH2  ARG  13          2HH2      ARG  13   6.328  11.007  11.007
   86    H    THR  14           H        THR  14  -1.123  12.379  12.379
   87    HA   THR  14           HA       THR  14   0.785  11.443  11.443
   88    HB   THR  14           HB       THR  14  -0.944  12.705  12.705
   89    HG1  THR  14           HG1      THR  14  -1.467  14.107  14.107
   90   1HG2  THR  14          1HG2      THR  14   1.414  13.386  13.386
   91   2HG2  THR  14          3HG2      THR  14   0.350  14.618  14.618
   92   3HG2  THR  14          2HG2      THR  14   0.511  14.457  14.457
   93    H    ALA  15           H        ALA  15  -2.793  11.443  11.443
   94    HA   ALA  15           HA       ALA  15  -4.319   9.848   9.848
   95   1HB   ALA  15          2HB       ALA  15  -2.145   8.301   8.301
   96   2HB   ALA  15          1HB       ALA  15  -3.284   7.396   7.396
   97   3HB   ALA  15          3HB       ALA  15  -3.870   8.355   8.355
   98    HA   PRO  16           HA       PRO  16  -3.169   8.638   8.638
   99   1HB   PRO  16          2HB       PRO  16  -5.003   6.660   6.660
  100   2HB   PRO  16          1HB       PRO  16  -5.425   8.376   8.376
  101   1HG   PRO  16          2HG       PRO  16  -5.941   6.224   6.224
  102   2HG   PRO  16          1HG       PRO  16  -6.792   7.755   7.755
  103   1HD   PRO  16          2HD       PRO  16  -4.872   7.158   7.158
  104   2HD   PRO  16          1HD       PRO  16  -5.594   8.746   8.746
  105    H    LEU  17           H        LEU  17  -2.029   6.971   6.971
  106    HA   LEU  17           HA       LEU  17  -0.610   5.139   5.139
  107   1HB   LEU  17          2HB       LEU  17  -0.631   5.545   5.545
  108   2HB   LEU  17          1HB       LEU  17   0.265   4.213   4.213
  109    HG   LEU  17           HG       LEU  17   1.585   6.367   6.367
  110   1HD1  LEU  17          1HD1      LEU  17   1.320   5.207   5.207
  111   2HD1  LEU  17          3HD1      LEU  17   2.657   6.229   6.229
  112   3HD1  LEU  17          2HD1      LEU  17   2.405   4.653   4.653
  113   1HD2  LEU  17          1HD2      LEU  17  -0.320   7.841   7.841
  114   2HD2  LEU  17          3HD2      LEU  17   1.225   8.193   8.193
  115   3HD2  LEU  17          2HD2      LEU  17  -0.009   7.280   7.280
  116    H    THR  18           H        THR  18  -3.158   4.459   4.459
  117    HA   THR  18           HA       THR  18  -4.119   2.361   2.361
  118    HB   THR  18           HB       THR  18  -5.941   2.179   2.179
  119    HG1  THR  18           HG1      THR  18  -5.748   2.744   2.744
  120   1HG2  THR  18          3HG2      THR  18  -4.948   4.759   4.759
  121   2HG2  THR  18          2HG2      THR  18  -5.517   4.810   4.810
  122   3HG2  THR  18          1HG2      THR  18  -6.612   4.316   4.316
  123    H    GLY  19           H        GLY  19  -1.589   2.478   2.478
  124   1HA   GLY  19          2HA       GLY  19  -1.893  -0.182  -0.182
  125   2HA   GLY  19          1HA       GLY  19  -0.448   0.827   0.827
  126    H    THR  20           H        THR  20  -1.145  -2.094  -2.094
  127    HA   THR  20           HA       THR  20   0.413  -1.913  -1.913
  128    HB   THR  20           HB       THR  20  -1.242  -4.324  -4.324
  129    HG1  THR  20           HG1      THR  20  -2.253  -1.855  -1.855
  130   1HG2  THR  20          3HG2      THR  20   0.288  -3.442  -3.442
  131   2HG2  THR  20          2HG2      THR  20  -1.362  -3.087  -3.087
  132   3HG2  THR  20          1HG2      THR  20  -0.913  -4.732  -4.732
  133    H    VAL  21           H        VAL  21   2.335  -2.999  -2.999
  134    HA   VAL  21           HA       VAL  21   3.334  -4.193  -4.193
  135    HB   VAL  21           HB       VAL  21   4.447  -4.233  -4.233
  136   1HG1  VAL  21          2HG1      VAL  21   5.187  -5.908  -5.908
  137   2HG1  VAL  21          1HG1      VAL  21   6.210  -4.516  -4.516
  138   3HG1  VAL  21          3HG1      VAL  21   6.309  -5.298  -5.298
  139   1HG2  VAL  21          1HG2      VAL  21   4.822  -2.415  -2.415
  140   2HG2  VAL  21          3HG2      VAL  21   4.342  -1.971  -1.971
  141   3HG2  VAL  21          2HG2      VAL  21   5.997  -2.489  -2.489
  142    H    ASP  22           H        ASP  22   2.829  -6.214  -6.214
  143    HA   ASP  22           HA       ASP  22   1.940  -8.212  -8.212
  144   1HB   ASP  22          2HB       ASP  22   1.727  -8.227  -8.227
  145   2HB   ASP  22          1HB       ASP  22   1.081  -9.469  -9.469
  146    H    LEU  23           H        LEU  23   4.071  -8.763  -8.763
  147    HA   LEU  23           HA       LEU  23   6.343  -9.391  -9.391
  148   1HB   LEU  23          2HB       LEU  23   5.241 -10.214 -10.214
  149   2HB   LEU  23          1HB       LEU  23   6.342 -11.396 -11.396
  150    HG   LEU  23           HG       LEU  23   7.481  -9.668  -9.668
  151   1HD1  LEU  23          1HD1      LEU  23   8.139  -9.887  -9.887
  152   2HD1  LEU  23          3HD1      LEU  23   9.208  -9.091  -9.091
  153   3HD1  LEU  23          2HD1      LEU  23   8.836 -10.805 -10.805
  154   1HD2  LEU  23          3HD2      LEU  23   5.856  -7.850  -7.850
  155   2HD2  LEU  23          2HD2      LEU  23   7.529  -7.404  -7.404
  156   3HD2  LEU  23          1HD2      LEU  23   7.019  -7.747  -7.747
  157    H    GLY  24           H        GLY  24   6.341 -10.580 -10.580
  158   1HA   GLY  24          2HA       GLY  24   6.455 -12.872 -12.872
  159   2HA   GLY  24          1HA       GLY  24   5.069 -13.281 -13.281
  160    H    SER  25           H        SER  25   5.364 -10.330 -10.330
  161    HA   SER  25           HA       SER  25   4.155  -9.609  -9.609
  162   1HB   SER  25          2HB       SER  25   4.540 -12.348 -12.348
  163   2HB   SER  25          1HB       SER  25   2.809 -12.107 -12.107
  164    HG   SER  25           HG       SER  25   4.556 -11.644 -11.644
  165    H    CYS  26           H        CYS  26   1.799  -9.401  -9.401
  166    HA   CYS  26           HA       CYS  26   0.122  -8.704  -8.704
  167   1HB   CYS  26          2HB       CYS  26  -0.350  -9.469  -9.469
  168   2HB   CYS  26          1HB       CYS  26  -1.754  -9.381  -9.381
  169    H    ASN  27           H        ASN  27  -1.890  -9.800  -9.800
  170    HA   ASN  27           HA       ASN  27  -1.459 -12.754 -12.754
  171   1HB   ASN  27          2HB       ASN  27  -1.817 -10.742 -10.742
  172   2HB   ASN  27          1HB       ASN  27  -3.193 -11.844 -11.844
  173   1HD2  ASN  27          2HD2      ASN  27   0.407 -13.793 -13.793
  174   2HD2  ASN  27          1HD2      ASN  27   0.141 -12.691 -12.691
  175    H    ALA  28           H        ALA  28  -3.919 -13.467 -13.467
  176    HA   ALA  28           HA       ALA  28  -5.642 -13.139 -13.139
  177   1HB   ALA  28          2HB       ALA  28  -5.274 -15.366 -15.366
  178   2HB   ALA  28          1HB       ALA  28  -6.191 -14.739 -14.739
  179   3HB   ALA  28          3HB       ALA  28  -6.968 -14.921 -14.921
  180    H    GLY  29           H        GLY  29  -7.261 -11.659 -11.659
  181   1HA   GLY  29          2HA       GLY  29  -9.225 -10.589 -10.589
  182   2HA   GLY  29          1HA       GLY  29  -8.510 -10.788 -10.788
  183    H    TRP  30           H        TRP  30  -5.890  -9.863  -9.863
  184    HA   TRP  30           HA       TRP  30  -6.408  -6.977  -6.977
  185   1HB   TRP  30          2HB       TRP  30  -3.812  -8.526  -8.526
  186   2HB   TRP  30          1HB       TRP  30  -3.926  -6.798  -6.798
  187    HD1  TRP  30           HD1      TRP  30  -5.063 -10.159 -10.159
  188    HE1  TRP  30           HE1      TRP  30  -5.191  -9.877  -9.877
  189    HE3  TRP  30           HE3      TRP  30  -3.976  -5.186  -5.186
  190    HZ2  TRP  30           HZ2      TRP  30  -4.873  -7.814  -7.814
  191    HZ3  TRP  30           HZ3      TRP  30  -3.894  -4.088  -4.088
  192    HH2  TRP  30           HH2      TRP  30  -4.342  -5.394  -5.394
  193    H    GLU  31           H        GLU  31  -5.463  -5.403  -5.403
  194    HA   GLU  31           HA       GLU  31  -5.208  -6.517  -6.517
  195   1HB   GLU  31          2HB       GLU  31  -6.244  -4.266  -4.266
  196   2HB   GLU  31          1HB       GLU  31  -7.332  -5.453  -5.453
  197   1HG   GLU  31          2HG       GLU  31  -7.598  -4.240  -4.240
  198   2HG   GLU  31          1HG       GLU  31  -5.960  -3.589  -3.589
  199    H    LYS  32           H        LYS  32  -3.153  -6.156  -6.156
  200    HA   LYS  32           HA       LYS  32  -1.186  -4.610  -4.610
  201   1HB   LYS  32          2HB       LYS  32  -1.362  -6.066  -6.066
  202   2HB   LYS  32          1HB       LYS  32  -1.112  -4.428  -4.428
  203   1HG   LYS  32          2HG       LYS  32   1.003  -4.288  -4.288
  204   2HG   LYS  32          1HG       LYS  32   0.595  -5.238  -5.238
  205   1HD   LYS  32          2HD       LYS  32   2.165  -6.440  -6.440
  206   2HD   LYS  32          1HD       LYS  32   0.638  -7.298  -7.298
  207   1HE   LYS  32          2HE       LYS  32   0.668  -5.350  -5.350
  208   2HE   LYS  32          1HE       LYS  32   1.752  -6.726  -6.726
  209   1HZ   LYS  32          1HZ       LYS  32  -0.293  -8.075  -8.075
  210   2HZ   LYS  32          3HZ       LYS  32  -1.175  -6.701  -6.701
  211   3HZ   LYS  32          2HZ       LYS  32  -0.222  -7.518  -7.518
  212    H    CYS  33           H        CYS  33  -0.383  -2.449  -2.449
  213    HA   CYS  33           HA       CYS  33  -2.369  -0.609  -0.609
  214   1HB   CYS  33          2HB       CYS  33  -1.615  -0.737  -0.737
  215   2HB   CYS  33          1HB       CYS  33  -1.053   0.791   0.791
  216    H    ALA  34           H        ALA  34   0.901  -1.589  -1.589
  217    HA   ALA  34           HA       ALA  34   1.707   0.667   0.667
  218   1HB   ALA  34          1HB       ALA  34   2.841  -0.048  -0.048
  219   2HB   ALA  34          3HB       ALA  34   3.967   0.456   0.456
  220   3HB   ALA  34          2HB       ALA  34   2.666   1.536   1.536
  221    H    SER  35           H        SER  35   3.111   0.021   0.021
  222    HA   SER  35           HA       SER  35   3.313  -2.605  -2.605
  223   1HB   SER  35          2HB       SER  35   4.360  -0.212  -0.212
  224   2HB   SER  35          1HB       SER  35   5.813  -1.104  -1.104
  225    HG   SER  35           HG       SER  35   3.801  -1.754  -1.754
  226    H    TYR  36           H        TYR  36   6.158  -1.015  -1.015
  227    HA   TYR  36           HA       TYR  36   6.653  -3.561  -3.561
  228   1HB   TYR  36          2HB       TYR  36   8.167  -3.092  -3.092
  229   2HB   TYR  36          1HB       TYR  36   8.883  -1.824  -1.824
  230    HD1  TYR  36           HD1      TYR  36   7.566  -5.196  -5.196
  231    HD2  TYR  36           HD2      TYR  36  10.993  -2.623  -2.623
  232    HE1  TYR  36           HE1      TYR  36   8.939  -6.893  -6.893
  233    HE2  TYR  36           HE2      TYR  36  12.366  -4.321  -4.321
  234    HH   TYR  36           HH       TYR  36  11.200  -7.530  -7.530
  235    H    TYR  37           H        TYR  37   5.601  -2.438  -2.438
  236    HA   TYR  37           HA       TYR  37   6.150   0.013   0.013
  237   1HB   TYR  37          2HB       TYR  37   4.583  -1.496  -1.496
  238   2HB   TYR  37          1HB       TYR  37   5.862  -2.656  -2.656
  239    HD1  TYR  37           HD1      TYR  37   5.664   1.070   1.070
  240    HD2  TYR  37           HD2      TYR  37   6.197  -2.736  -2.736
  241    HE1  TYR  37           HE1      TYR  37   6.113   2.217   2.217
  242    HE2  TYR  37           HE2      TYR  37   6.647  -1.589  -1.589
  243    HH   TYR  37           HH       TYR  37   7.573   1.323   1.323
  244    H    THR  38           H        THR  38   7.699  -2.513  -2.513
  245    HA   THR  38           HA       THR  38  10.208  -0.918  -0.918
  246    HB   THR  38           HB       THR  38   9.203  -1.380  -1.380
  247    HG1  THR  38           HG1      THR  38  11.091  -2.231  -2.231
  248   1HG2  THR  38          2HG2      THR  38   8.759  -3.932  -3.932
  249   2HG2  THR  38          1HG2      THR  38   9.890  -4.164  -4.164
  250   3HG2  THR  38          3HG2      THR  38   8.335  -3.382  -3.382
  251    H    ILE  39           H        ILE  39  11.227  -3.825  -3.825
  252    HA   ILE  39           HA       ILE  39  11.797  -4.805  -4.805
  253    HB   ILE  39           HB       ILE  39  13.533  -4.761  -4.761
  254   1HG1  ILE  39          2HG1      ILE  39  13.427  -2.778  -2.778
  255   2HG1  ILE  39          1HG1      ILE  39  15.032  -3.473  -3.473
  256   1HG2  ILE  39          2HG2      ILE  39  13.597  -6.525  -6.525
  257   2HG2  ILE  39          1HG2      ILE  39  15.136  -5.916  -5.916
  258   3HG2  ILE  39          3HG2      ILE  39  14.087  -6.873  -6.873
  259   1HD1  ILE  39          1HD1      ILE  39  13.705  -4.877  -4.877
  260   2HD1  ILE  39          3HD1      ILE  39  13.635  -3.144  -3.144
  261   3HD1  ILE  39          2HD1      ILE  39  15.192  -3.931  -3.931
  262    H    ILE  40           H        ILE  40  10.067  -5.420  -5.420
  263    HA   ILE  40           HA       ILE  40  10.010  -8.330  -8.330
  264    HB   ILE  40           HB       ILE  40  10.420  -7.042  -7.042
  265   1HG1  ILE  40          2HG1      ILE  40  12.011  -9.349  -9.349
  266   2HG1  ILE  40          1HG1      ILE  40  12.091  -8.394  -8.394
  267   1HG2  ILE  40          1HG2      ILE  40   9.313  -9.731  -9.731
  268   2HG2  ILE  40          3HG2      ILE  40  10.263  -9.549  -9.549
  269   3HG2  ILE  40          2HG2      ILE  40   8.777  -8.622  -8.622
  270   1HD1  ILE  40          3HD1      ILE  40  12.438  -6.379  -6.379
  271   2HD1  ILE  40          2HD1      ILE  40  12.927  -7.639  -7.639
  272   3HD1  ILE  40          1HD1      ILE  40  13.800  -7.431  -7.431
  273    H    ALA  41           H        ALA  41   8.332  -5.614  -5.614
  274    HA   ALA  41           HA       ALA  41   5.785  -6.993  -6.993
  275   1HB   ALA  41          2HB       ALA  41   6.915  -4.736  -4.736
  276   2HB   ALA  41          1HB       ALA  41   5.241  -4.518  -4.518
  277   3HB   ALA  41          3HB       ALA  41   5.690  -5.916  -5.916
  278    H    ASP  42           H        ASP  42   3.900  -5.553  -5.553
  279    HA   ASP  42           HA       ASP  42   4.752  -3.869  -3.869
  280   1HB   ASP  42          2HB       ASP  42   2.553  -5.954  -5.954
  281   2HB   ASP  42          1HB       ASP  42   2.764  -4.797  -4.797
  282    H    CYS  43           H        CYS  43   3.125  -3.960  -3.960
  283    HA   CYS  43           HA       CYS  43   1.808  -2.292  -2.292
  284   1HB   CYS  43          2HB       CYS  43   2.947  -0.871  -0.871
  285   2HB   CYS  43          1HB       CYS  43   1.316  -0.920  -0.920
  286    H    CYS  44           H        CYS  44   0.352  -4.250  -4.250
  287    HA   CYS  44           HA       CYS  44  -1.871  -4.093  -4.093
  288   1HB   CYS  44          2HB       CYS  44  -0.547  -6.243  -6.243
  289   2HB   CYS  44          1HB       CYS  44  -2.135  -6.185  -6.185
  290    H    ARG  45           H        ARG  45  -3.673  -2.995  -2.995
  291    HA   ARG  45           HA       ARG  45  -4.081  -2.297  -2.297
  292   1HB   ARG  45          2HB       ARG  45  -4.331  -0.453  -0.453
  293   2HB   ARG  45          1HB       ARG  45  -5.411  -1.384  -1.384
  294   1HG   ARG  45          2HG       ARG  45  -6.399  -1.347  -1.347
  295   2HG   ARG  45          1HG       ARG  45  -6.159   0.295   0.295
  296   1HD   ARG  45          2HD       ARG  45  -7.722  -1.882  -1.882
  297   2HD   ARG  45          1HD       ARG  45  -8.424  -0.518  -0.518
  298    HE   ARG  45           HE       ARG  45  -6.862  -0.294  -0.294
  299   1HH1  ARG  45          1HH2      ARG  45  -6.463   2.237   2.237
  300   2HH1  ARG  45          2HH2      ARG  45  -7.967   3.098   3.098
  301   1HH2  ARG  45          2HH1      ARG  45  -9.899   0.256   0.256
  302   2HH2  ARG  45          1HH1      ARG  45  -9.911   1.976   1.976
  303    H    LYS  46           H        LYS  46  -5.588  -3.319  -3.319
  304    HA   LYS  46           HA       LYS  46  -6.913  -5.678  -5.678
  305   1HB   LYS  46          2HB       LYS  46  -6.499  -5.114  -5.114
  306   2HB   LYS  46          1HB       LYS  46  -7.695  -3.821  -3.821
  307   1HG   LYS  46          2HG       LYS  46  -9.279  -5.332  -5.332
  308   2HG   LYS  46          1HG       LYS  46  -8.968  -6.115  -6.115
  309   1HD   LYS  46          2HD       LYS  46  -7.713  -7.785  -7.785
  310   2HD   LYS  46          1HD       LYS  46  -7.046  -6.725  -6.725
  311   1HE   LYS  46          2HE       LYS  46  -8.819  -7.062  -7.062
  312   2HE   LYS  46          1HE       LYS  46  -9.967  -7.332  -7.332
  313   1HZ   LYS  46          3HZ       LYS  46  -7.891  -9.305  -9.305
  314   2HZ   LYS  46          2HZ       LYS  46  -8.811  -9.262  -9.262
  315   3HZ   LYS  46          1HZ       LYS  46  -9.573  -9.509  -9.509
  316    H    LYS  47           H        LYS  47  -8.679  -5.919  -5.919
  317    HA   LYS  47           HA       LYS  47 -10.057  -3.825  -3.825
  318   1HB   LYS  47          2HB       LYS  47 -10.811  -6.680  -6.680
  319   2HB   LYS  47          1HB       LYS  47 -11.946  -5.605  -5.605
  320   1HG   LYS  47          2HG       LYS  47 -10.287  -5.151  -5.151
  321   2HG   LYS  47          1HG       LYS  47  -9.118  -6.184  -6.184
  322   1HD   LYS  47          2HD       LYS  47 -10.040  -7.607  -7.607
  323   2HD   LYS  47          1HD       LYS  47 -10.940  -8.024  -8.024
  324   1HE   LYS  47          2HE       LYS  47 -12.829  -7.566  -7.566
  325   2HE   LYS  47          1HE       LYS  47 -12.346  -5.870  -5.870
  326   1HZ   LYS  47          1HZ       LYS  47 -11.061  -6.293  -6.293
  327   2HZ   LYS  47          3HZ       LYS  47 -11.668  -7.876  -7.876
  328   3HZ   LYS  47          2HZ       LYS  47 -12.726  -6.557  -6.557
  329    H    LYS  48           H        LYS  48 -10.711  -2.186  -2.186
  330    HA   LYS  48           HA       LYS  48 -12.777  -2.981  -2.981
  331   1HB   LYS  48          2HB       LYS  48 -12.194  -0.907  -0.907
  332   2HB   LYS  48          1HB       LYS  48 -10.766  -1.920  -1.920
  333   1HG   LYS  48          2HG       LYS  48 -10.100  -0.589  -0.589
  334   2HG   LYS  48          1HG       LYS  48 -11.539   0.414   0.414
  335   1HD   LYS  48          2HD       LYS  48 -10.775   1.178   1.178
  336   2HD   LYS  48          1HD       LYS  48  -9.380   0.100   0.100
  337   1HE   LYS  48          2HE       LYS  48  -8.251   1.453   1.453
  338   2HE   LYS  48          1HE       LYS  48  -9.721   1.946   1.946
  339   1HZ   LYS  48          2HZ       LYS  48  -9.121   2.839   2.839
  340   2HZ   LYS  48          1HZ       LYS  48  -8.553   3.687   3.687
  341   3HZ   LYS  48          3HZ       LYS  48 -10.221   3.506   3.506
  342   1H    NH2  49          1HT       LYS  48 -13.056  -2.271  -2.271
  343   2H    NH2  49          2HT       LYS  48 -14.195  -1.012  -1.012

  Start of MODEL   19
    1   1H    ALA   1          2H        ALA   1   3.926  -3.120  -3.120
    2   2H    ALA   1          1H        ALA   1   4.752  -3.205  -3.205
    3   3H    ALA   1          3H        ALA   1   3.259  -2.406  -2.406
    4    HA   ALA   1           HA       ALA   1   5.043  -0.799  -0.799
    5   1HB   ALA   1          1HB       ALA   1   6.425  -2.683  -2.683
    6   2HB   ALA   1          3HB       ALA   1   6.060  -1.459  -1.459
    7   3HB   ALA   1          2HB       ALA   1   6.945  -1.015  -1.015
    8    H    ALA   2           H        ALA   2   2.931   0.231   0.231
    9    HA   ALA   2           HA       ALA   2   1.429   0.471   0.471
   10   1HB   ALA   2          1HB       ALA   2   2.034   2.351   2.351
   11   2HB   ALA   2          3HB       ALA   2   1.189   2.987   2.987
   12   3HB   ALA   2          2HB       ALA   2   0.491   1.653   1.653
   13    H    CYS   3           H        CYS   3   1.649   1.546   1.546
   14    HA   CYS   3           HA       CYS   3   3.999   3.337   3.337
   15   1HB   CYS   3          2HB       CYS   3   4.717   2.191   2.191
   16   2HB   CYS   3          1HB       CYS   3   4.579   0.981   0.981
   17    H    LYS   4           H        LYS   4   0.810   3.169   3.169
   18    HA   LYS   4           HA       LYS   4  -0.762   4.597   4.597
   19   1HB   LYS   4          2HB       LYS   4   1.738   5.793   5.793
   20   2HB   LYS   4          1HB       LYS   4   0.821   5.739   5.739
   21   1HG   LYS   4          2HG       LYS   4  -1.114   6.776   6.776
   22   2HG   LYS   4          1HG       LYS   4  -0.147   6.885   6.885
   23   1HD   LYS   4          2HD       LYS   4   0.996   8.032   8.032
   24   2HD   LYS   4          1HD       LYS   4  -0.293   8.928   8.928
   25   1HE   LYS   4          2HE       LYS   4   1.130   9.642   9.642
   26   2HE   LYS   4          1HE       LYS   4   1.614   7.986   7.986
   27   1HZ   LYS   4          2HZ       LYS   4   3.048   8.141   8.141
   28   2HZ   LYS   4          1HZ       LYS   4   2.751   9.814   9.814
   29   3HZ   LYS   4          3HZ       LYS   4   3.543   9.083   9.083
   30    H    CYS   5           H        CYS   5  -1.451   5.068   5.068
   31    HA   CYS   5           HA       CYS   5  -1.188   2.418   2.418
   32   1HB   CYS   5          2HB       CYS   5  -3.488   4.069   4.069
   33   2HB   CYS   5          1HB       CYS   5  -3.412   3.752   3.752
   34    H    ASP   6           H        ASP   6  -1.820   2.804   2.804
   35    HA   ASP   6           HA       ASP   6   0.255   4.580   4.580
   36   1HB   ASP   6          2HB       ASP   6  -0.611   3.774   3.774
   37   2HB   ASP   6          1HB       ASP   6  -0.095   2.486   2.486
   38    H    ASP   7           H        ASP   7  -3.025   4.946   4.946
   39    HA   ASP   7           HA       ASP   7  -3.059   7.584   7.584
   40   1HB   ASP   7          2HB       ASP   7  -4.591   5.327   5.327
   41   2HB   ASP   7          1HB       ASP   7  -5.700   6.499   6.499
   42    H    GLU   8           H        GLU   8  -2.555   7.701   7.701
   43    HA   GLU   8           HA       GLU   8  -5.125   7.785   7.785
   44   1HB   GLU   8          2HB       GLU   8  -2.261   7.444   7.444
   45   2HB   GLU   8          1HB       GLU   8  -3.278   8.328   8.328
   46   1HG   GLU   8          2HG       GLU   8  -4.304   5.757   5.757
   47   2HG   GLU   8          1HG       GLU   8  -3.102   5.692   5.692
   48    H    GLY   9           H        GLY   9  -2.242   9.739   9.739
   49   1HA   GLY   9          2HA       GLY   9  -3.425  12.168  12.168
   50   2HA   GLY   9          1HA       GLY   9  -3.482  12.110  12.110
   51    HA   PRO  10           HA       PRO  10   0.890  13.146  13.146
   52   1HB   PRO  10          2HB       PRO  10   0.650  15.749  15.749
   53   2HB   PRO  10          1HB       PRO  10   0.447  14.367  14.367
   54   1HG   PRO  10          2HG       PRO  10  -1.604  16.183  16.183
   55   2HG   PRO  10          1HG       PRO  10  -1.638  15.241  15.241
   56   1HD   PRO  10          2HD       PRO  10  -2.945  14.584  14.584
   57   2HD   PRO  10          1HD       PRO  10  -2.753  13.523  13.523
   58    H    ASP  11           H        ASP  11  -1.239  15.716  15.716
   59    HA   ASP  11           HA       ASP  11   0.537  17.107  17.107
   60   1HB   ASP  11          2HB       ASP  11  -2.345  16.449  16.449
   61   2HB   ASP  11          1HB       ASP  11  -1.580  16.969  16.969
   62    H    ILE  12           H        ILE  12   1.197  16.893  16.893
   63    HA   ILE  12           HA       ILE  12   1.940  14.166  14.166
   64    HB   ILE  12           HB       ILE  12   3.282  16.302  16.302
   65   1HG1  ILE  12          2HG1      ILE  12   3.752  14.028  14.028
   66   2HG1  ILE  12          1HG1      ILE  12   4.256  15.358  15.358
   67   1HG2  ILE  12          2HG2      ILE  12   1.237  17.448  17.448
   68   2HG2  ILE  12          1HG2      ILE  12   1.505  16.436  16.436
   69   3HG2  ILE  12          3HG2      ILE  12   2.741  17.588  17.588
   70   1HD1  ILE  12          2HD1      ILE  12   1.660  14.959  14.959
   71   2HD1  ILE  12          1HD1      ILE  12   2.180  13.317  13.317
   72   3HD1  ILE  12          3HD1      ILE  12   3.079  14.278  14.278
   73    H    ARG  13           H        ARG  13  -0.534  16.451  16.451
   74    HA   ARG  13           HA       ARG  13  -1.377  14.710  14.710
   75   1HB   ARG  13          2HB       ARG  13  -2.622  17.235  17.235
   76   2HB   ARG  13          1HB       ARG  13  -3.133  16.421  16.421
   77   1HG   ARG  13          2HG       ARG  13  -1.591  17.608  17.608
   78   2HG   ARG  13          1HG       ARG  13  -0.336  16.762  16.762
   79   1HD   ARG  13          2HD       ARG  13   0.196  18.857  18.857
   80   2HD   ARG  13          1HD       ARG  13  -1.141  18.594  18.594
   81    HE   ARG  13           HE       ARG  13  -2.547  19.700  19.700
   82   1HH1  ARG  13          1HH2      ARG  13  -0.670  20.608  20.608
   83   2HH1  ARG  13          2HH2      ARG  13  -0.094  22.126  22.126
   84   1HH2  ARG  13          2HH1      ARG  13  -1.204  21.564  21.564
   85   2HH2  ARG  13          1HH1      ARG  13  -0.397  22.667  22.667
   86    H    THR  14           H        THR  14  -2.042  15.105  15.105
   87    HA   THR  14           HA       THR  14  -4.696  13.818  13.818
   88    HB   THR  14           HB       THR  14  -3.216  14.429  14.429
   89    HG1  THR  14           HG1      THR  14  -3.301  16.264  16.264
   90   1HG2  THR  14          2HG2      THR  14  -5.408  13.100  13.100
   91   2HG2  THR  14          1HG2      THR  14  -6.164  14.612  14.612
   92   3HG2  THR  14          3HG2      THR  14  -5.388  14.496  14.496
   93    H    ALA  15           H        ALA  15  -3.093  12.024  12.024
   94    HA   ALA  15           HA       ALA  15  -3.099   9.834   9.834
   95   1HB   ALA  15          3HB       ALA  15  -0.876  11.267  11.267
   96   2HB   ALA  15          2HB       ALA  15  -0.380  10.347  10.347
   97   3HB   ALA  15          1HB       ALA  15  -0.832   9.505   9.505
   98    HA   PRO  16           HA       PRO  16  -3.602   8.453   8.453
   99   1HB   PRO  16          2HB       PRO  16  -5.644   6.737   6.737
  100   2HB   PRO  16          1HB       PRO  16  -5.882   8.465   8.465
  101   1HG   PRO  16          2HG       PRO  16  -5.979   6.966   6.966
  102   2HG   PRO  16          1HG       PRO  16  -6.770   8.484   8.484
  103   1HD   PRO  16          2HD       PRO  16  -4.426   8.197   8.197
  104   2HD   PRO  16          1HD       PRO  16  -5.086   9.716   9.716
  105    H    LEU  17           H        LEU  17  -1.972   7.275   7.275
  106    HA   LEU  17           HA       LEU  17  -0.918   5.253   5.253
  107   1HB   LEU  17          2HB       LEU  17  -0.866   5.583   5.583
  108   2HB   LEU  17          1HB       LEU  17  -0.371   4.015   4.015
  109    HG   LEU  17           HG       LEU  17   1.197   5.220   5.220
  110   1HD1  LEU  17          3HD1      LEU  17  -0.273   7.459   7.459
  111   2HD1  LEU  17          2HD1      LEU  17   1.360   7.646   7.646
  112   3HD1  LEU  17          1HD1      LEU  17   1.106   7.461   7.461
  113   1HD2  LEU  17          1HD2      LEU  17   1.624   4.393   4.393
  114   2HD2  LEU  17          3HD2      LEU  17   2.878   5.212   5.212
  115   3HD2  LEU  17          2HD2      LEU  17   1.920   6.115   6.115
  116    H    THR  18           H        THR  18  -3.277   4.677   4.677
  117    HA   THR  18           HA       THR  18  -4.568   2.594   2.594
  118    HB   THR  18           HB       THR  18  -5.894   4.238   4.238
  119    HG1  THR  18           HG1      THR  18  -6.224   1.593   1.593
  120   1HG2  THR  18          2HG2      THR  18  -4.590   2.723   2.723
  121   2HG2  THR  18          1HG2      THR  18  -6.011   3.749   3.749
  122   3HG2  THR  18          3HG2      THR  18  -4.483   4.452   4.452
  123    H    GLY  19           H        GLY  19  -1.811   2.442   2.442
  124   1HA   GLY  19          2HA       GLY  19  -2.377  -0.013  -0.013
  125   2HA   GLY  19          1HA       GLY  19  -0.879   0.917   0.917
  126    H    THR  20           H        THR  20  -0.543  -1.734  -1.734
  127    HA   THR  20           HA       THR  20   0.505  -1.874  -1.874
  128    HB   THR  20           HB       THR  20  -0.998  -4.279  -4.279
  129    HG1  THR  20           HG1      THR  20  -2.754  -3.151  -3.151
  130   1HG2  THR  20          2HG2      THR  20  -0.539  -2.978  -2.978
  131   2HG2  THR  20          1HG2      THR  20  -1.371  -4.510  -4.510
  132   3HG2  THR  20          3HG2      THR  20   0.343  -4.363  -4.363
  133    H    VAL  21           H        VAL  21   2.605  -2.394  -2.394
  134    HA   VAL  21           HA       VAL  21   3.435  -3.797  -3.797
  135    HB   VAL  21           HB       VAL  21   4.926  -2.808  -2.808
  136   1HG1  VAL  21          2HG1      VAL  21   5.721  -4.744  -4.744
  137   2HG1  VAL  21          1HG1      VAL  21   6.792  -3.344  -3.344
  138   3HG1  VAL  21          3HG1      VAL  21   6.530  -4.308  -4.308
  139   1HG2  VAL  21          3HG2      VAL  21   4.002  -1.217  -1.217
  140   2HG2  VAL  21          2HG2      VAL  21   5.730  -1.100  -1.100
  141   3HG2  VAL  21          1HG2      VAL  21   5.164  -1.955  -1.955
  142    H    ASP  22           H        ASP  22   3.017  -5.962  -5.962
  143    HA   ASP  22           HA       ASP  22   3.586  -7.575  -7.575
  144   1HB   ASP  22          2HB       ASP  22   1.187  -7.460  -7.460
  145   2HB   ASP  22          1HB       ASP  22   1.890  -8.615  -8.615
  146    H    LEU  23           H        LEU  23   5.352  -8.862  -8.862
  147    HA   LEU  23           HA       LEU  23   6.844  -9.093  -9.093
  148   1HB   LEU  23          2HB       LEU  23   7.016 -10.177 -10.177
  149   2HB   LEU  23          1HB       LEU  23   7.756 -11.183 -11.183
  150    HG   LEU  23           HG       LEU  23   8.750  -8.850  -8.850
  151   1HD1  LEU  23          1HD1      LEU  23   7.427  -7.681  -7.681
  152   2HD1  LEU  23          3HD1      LEU  23   8.538  -8.435  -8.435
  153   3HD1  LEU  23          2HD1      LEU  23   9.149  -7.305  -7.305
  154   1HD2  LEU  23          1HD2      LEU  23   9.775 -11.053 -11.053
  155   2HD2  LEU  23          3HD2      LEU  23  10.747  -9.620  -9.620
  156   3HD2  LEU  23          2HD2      LEU  23  10.084  -9.883  -9.883
  157    H    GLY  24           H        GLY  24   6.555 -10.488 -10.488
  158   1HA   GLY  24          2HA       GLY  24   6.041 -12.585 -12.585
  159   2HA   GLY  24          1HA       GLY  24   5.273 -13.106 -13.106
  160    H    SER  25           H        SER  25   4.684 -10.136 -10.136
  161    HA   SER  25           HA       SER  25   2.671  -9.274  -9.274
  162   1HB   SER  25          2HB       SER  25   2.677 -10.808 -10.808
  163   2HB   SER  25          1HB       SER  25   2.606 -12.197 -12.197
  164    HG   SER  25           HG       SER  25   0.567 -12.108 -12.108
  165    H    CYS  26           H        CYS  26   0.205  -9.409  -9.409
  166    HA   CYS  26           HA       CYS  26  -0.309  -9.986  -9.986
  167   1HB   CYS  26          2HB       CYS  26  -2.500  -8.820  -8.820
  168   2HB   CYS  26          1HB       CYS  26  -1.068  -7.829  -7.829
  169    H    ASN  27           H        ASN  27  -2.418 -11.077 -11.077
  170    HA   ASN  27           HA       ASN  27  -2.684 -13.525 -13.525
  171   1HB   ASN  27          2HB       ASN  27  -2.703 -13.355 -13.355
  172   2HB   ASN  27          1HB       ASN  27  -4.366 -12.800 -12.800
  173   1HD2  ASN  27          2HD2      ASN  27  -3.617 -16.580 -16.580
  174   2HD2  ASN  27          1HD2      ASN  27  -2.498 -15.341 -15.341
  175    H    ALA  28           H        ALA  28  -5.070 -14.306 -14.306
  176    HA   ALA  28           HA       ALA  28  -6.346 -12.652 -12.652
  177   1HB   ALA  28          1HB       ALA  28  -7.167 -15.029 -15.029
  178   2HB   ALA  28          3HB       ALA  28  -8.442 -14.113 -14.113
  179   3HB   ALA  28          2HB       ALA  28  -7.132 -14.816 -14.816
  180    H    GLY  29           H        GLY  29  -8.418 -11.487 -11.487
  181   1HA   GLY  29          2HA       GLY  29 -10.060 -10.237 -10.237
  182   2HA   GLY  29          1HA       GLY  29  -9.261 -10.685 -10.685
  183    H    TRP  30           H        TRP  30  -6.734  -9.796  -9.796
  184    HA   TRP  30           HA       TRP  30  -6.899  -6.971  -6.971
  185   1HB   TRP  30          2HB       TRP  30  -4.601  -8.868  -8.868
  186   2HB   TRP  30          1HB       TRP  30  -4.335  -7.126  -7.126
  187    HD1  TRP  30           HD1      TRP  30  -6.107  -9.850  -9.850
  188    HE1  TRP  30           HE1      TRP  30  -5.776  -9.270  -9.270
  189    HE3  TRP  30           HE3      TRP  30  -3.539  -5.459  -5.459
  190    HZ2  TRP  30           HZ2      TRP  30  -4.580  -7.214  -7.214
  191    HZ3  TRP  30           HZ3      TRP  30  -2.817  -4.211  -4.211
  192    HH2  TRP  30           HH2      TRP  30  -3.333  -5.082  -5.082
  193    H    GLU  31           H        GLU  31  -6.212  -5.279  -5.279
  194    HA   GLU  31           HA       GLU  31  -6.255  -6.077  -6.077
  195   1HB   GLU  31          2HB       GLU  31  -7.115  -3.467  -3.467
  196   2HB   GLU  31          1HB       GLU  31  -7.153  -3.811  -3.811
  197   1HG   GLU  31          2HG       GLU  31  -8.497  -5.807  -5.807
  198   2HG   GLU  31          1HG       GLU  31  -9.272  -4.225  -4.225
  199    H    LYS  32           H        LYS  32  -4.068  -6.191  -6.191
  200    HA   LYS  32           HA       LYS  32  -1.934  -4.783  -4.783
  201   1HB   LYS  32          2HB       LYS  32  -2.076  -6.522  -6.522
  202   2HB   LYS  32          1HB       LYS  32  -2.051  -5.065  -5.065
  203   1HG   LYS  32          2HG       LYS  32   0.113  -4.566  -4.566
  204   2HG   LYS  32          1HG       LYS  32  -0.060  -5.161  -5.161
  205   1HD   LYS  32          2HD       LYS  32   1.329  -6.792  -6.792
  206   2HD   LYS  32          1HD       LYS  32  -0.255  -7.509  -7.509
  207   1HE   LYS  32          2HE       LYS  32   0.738  -5.661  -5.661
  208   2HE   LYS  32          1HE       LYS  32   1.606  -7.188  -7.188
  209   1HZ   LYS  32          2HZ       LYS  32  -0.523  -8.350  -8.350
  210   2HZ   LYS  32          1HZ       LYS  32  -1.325  -6.867  -6.867
  211   3HZ   LYS  32          3HZ       LYS  32  -0.228  -7.413  -7.413
  212    H    CYS  33           H        CYS  33  -1.289  -2.672  -2.672
  213    HA   CYS  33           HA       CYS  33  -2.872  -0.758  -0.758
  214   1HB   CYS  33          2HB       CYS  33  -2.074  -0.758  -0.758
  215   2HB   CYS  33          1HB       CYS  33  -1.255   0.580   0.580
  216    H    ALA  34           H        ALA  34   0.260  -2.110  -2.110
  217    HA   ALA  34           HA       ALA  34   1.313  -0.251  -0.251
  218   1HB   ALA  34          2HB       ALA  34   2.757  -0.997  -0.997
  219   2HB   ALA  34          1HB       ALA  34   3.458  -0.078  -0.078
  220   3HB   ALA  34          3HB       ALA  34   2.124   0.601   0.601
  221    H    SER  35           H        SER  35   2.184  -1.440  -1.440
  222    HA   SER  35           HA       SER  35   2.246  -4.208  -4.208
  223   1HB   SER  35          2HB       SER  35   2.911  -2.299  -2.299
  224   2HB   SER  35          1HB       SER  35   4.541  -2.728  -2.728
  225    HG   SER  35           HG       SER  35   2.548  -4.377  -4.377
  226    H    TYR  36           H        TYR  36   4.472  -2.116  -2.116
  227    HA   TYR  36           HA       TYR  36   5.739  -4.487  -4.487
  228   1HB   TYR  36          2HB       TYR  36   7.019  -3.574  -3.574
  229   2HB   TYR  36          1HB       TYR  36   7.608  -2.371  -2.371
  230    HD1  TYR  36           HD2      TYR  36   6.780  -5.996  -5.996
  231    HD2  TYR  36           HD1      TYR  36   9.811  -2.954  -2.954
  232    HE1  TYR  36           HE2      TYR  36   8.401  -7.643  -7.643
  233    HE2  TYR  36           HE1      TYR  36  11.432  -4.601  -4.601
  234    HH   TYR  36           HH       TYR  36  10.672  -7.345  -7.345
  235    H    TYR  37           H        TYR  37   7.926  -2.621  -2.621
  236    HA   TYR  37           HA       TYR  37   6.774  -0.409  -0.409
  237   1HB   TYR  37          2HB       TYR  37   5.441  -2.049  -2.049
  238   2HB   TYR  37          1HB       TYR  37   6.876  -3.013  -3.013
  239    HD1  TYR  37           HD1      TYR  37   6.332   0.688   0.688
  240    HD2  TYR  37           HD2      TYR  37   7.207  -2.913  -2.913
  241    HE1  TYR  37           HE1      TYR  37   6.726   2.022   2.022
  242    HE2  TYR  37           HE2      TYR  37   7.601  -1.580  -1.580
  243    HH   TYR  37           HH       TYR  37   6.852   1.829   1.829
  244    H    THR  38           H        THR  38   8.693  -2.693  -2.693
  245    HA   THR  38           HA       THR  38  11.042  -0.894  -0.894
  246    HB   THR  38           HB       THR  38  10.251  -1.104  -1.104
  247    HG1  THR  38           HG1      THR  38  12.306  -0.921  -0.921
  248   1HG2  THR  38          2HG2      THR  38   9.781  -3.763  -3.763
  249   2HG2  THR  38          1HG2      THR  38  11.102  -3.846  -3.846
  250   3HG2  THR  38          3HG2      THR  38   9.582  -3.069  -3.069
  251    H    ILE  39           H        ILE  39  13.181  -2.312  -2.312
  252    HA   ILE  39           HA       ILE  39  13.281  -4.228  -4.228
  253    HB   ILE  39           HB       ILE  39  15.295  -3.343  -3.343
  254   1HG1  ILE  39          2HG1      ILE  39  16.097  -2.913  -2.913
  255   2HG1  ILE  39          1HG1      ILE  39  14.422  -2.375  -2.375
  256   1HG2  ILE  39          1HG2      ILE  39  15.350  -5.602  -5.602
  257   2HG2  ILE  39          3HG2      ILE  39  16.799  -4.599  -4.599
  258   3HG2  ILE  39          2HG2      ILE  39  16.207  -5.408  -5.408
  259   1HD1  ILE  39          2HD1      ILE  39  16.346  -1.602  -1.602
  260   2HD1  ILE  39          1HD1      ILE  39  16.416  -0.742  -0.742
  261   3HD1  ILE  39          3HD1      ILE  39  14.926  -0.742  -0.742
  262    H    ILE  40           H        ILE  40  12.389  -4.476  -4.476
  263    HA   ILE  40           HA       ILE  40  12.636  -7.439  -7.439
  264    HB   ILE  40           HB       ILE  40  14.505  -6.493  -6.493
  265   1HG1  ILE  40          2HG1      ILE  40  13.067  -7.879  -7.879
  266   2HG1  ILE  40          1HG1      ILE  40  12.732  -8.638  -8.638
  267   1HG2  ILE  40          2HG2      ILE  40  12.488  -4.844  -4.844
  268   2HG2  ILE  40          1HG2      ILE  40  12.758  -5.985  -5.985
  269   3HG2  ILE  40          3HG2      ILE  40  14.098  -5.022  -5.022
  270   1HD1  ILE  40          1HD1      ILE  40  15.226  -8.632  -8.632
  271   2HD1  ILE  40          3HD1      ILE  40  15.446  -8.121  -8.121
  272   3HD1  ILE  40          2HD1      ILE  40  14.713  -9.685  -9.685
  273    H    ALA  41           H        ALA  41  10.339  -5.656  -5.656
  274    HA   ALA  41           HA       ALA  41   8.437  -7.055  -7.055
  275   1HB   ALA  41          2HB       ALA  41   9.653  -4.908  -4.908
  276   2HB   ALA  41          1HB       ALA  41   8.096  -4.277  -4.277
  277   3HB   ALA  41          3HB       ALA  41   8.161  -5.721  -5.721
  278    H    ASP  42           H        ASP  42   6.193  -6.150  -6.150
  279    HA   ASP  42           HA       ASP  42   6.028  -4.621  -4.621
  280   1HB   ASP  42          2HB       ASP  42   4.646  -7.114  -7.114
  281   2HB   ASP  42          1HB       ASP  42   3.752  -5.994  -5.994
  282    H    CYS  43           H        CYS  43   3.309  -4.179  -4.179
  283    HA   CYS  43           HA       CYS  43   2.565  -3.024  -3.024
  284   1HB   CYS  43          2HB       CYS  43   3.317  -1.479  -1.479
  285   2HB   CYS  43          1HB       CYS  43   1.915  -0.911  -0.911
  286    H    CYS  44           H        CYS  44   0.633  -4.066  -4.066
  287    HA   CYS  44           HA       CYS  44  -1.239  -4.050  -4.050
  288   1HB   CYS  44          2HB       CYS  44  -0.495  -6.102  -6.102
  289   2HB   CYS  44          1HB       CYS  44  -2.240  -5.854  -5.854
  290    H    ARG  45           H        ARG  45  -3.518  -3.658  -3.658
  291    HA   ARG  45           HA       ARG  45  -3.882  -2.160  -2.160
  292   1HB   ARG  45          2HB       ARG  45  -3.788  -0.833  -0.833
  293   2HB   ARG  45          1HB       ARG  45  -5.420  -1.465  -1.465
  294   1HG   ARG  45          2HG       ARG  45  -5.399  -0.577  -0.577
  295   2HG   ARG  45          1HG       ARG  45  -4.492   0.658   0.658
  296   1HD   ARG  45          2HD       ARG  45  -6.785  -0.119  -0.119
  297   2HD   ARG  45          1HD       ARG  45  -7.304   0.315   0.315
  298    HE   ARG  45           HE       ARG  45  -5.583   2.361   2.361
  299   1HH1  ARG  45          1HH2      ARG  45  -6.557   1.504   1.504
  300   2HH1  ARG  45          2HH2      ARG  45  -7.840   2.644   2.644
  301   1HH2  ARG  45          2HH1      ARG  45  -8.000   3.567   3.567
  302   2HH2  ARG  45          1HH1      ARG  45  -8.658   3.811   3.811
  303    H    LYS  46           H        LYS  46  -4.982  -3.776  -3.776
  304    HA   LYS  46           HA       LYS  46  -6.774  -5.677  -5.677
  305   1HB   LYS  46          2HB       LYS  46  -7.937  -5.415  -5.415
  306   2HB   LYS  46          1HB       LYS  46  -6.194  -5.670  -5.670
  307   1HG   LYS  46          2HG       LYS  46  -6.028  -3.080  -3.080
  308   2HG   LYS  46          1HG       LYS  46  -7.738  -3.116  -3.116
  309   1HD   LYS  46          2HD       LYS  46  -5.668  -4.708  -4.708
  310   2HD   LYS  46          1HD       LYS  46  -6.071  -3.044  -3.044
  311   1HE   LYS  46          2HE       LYS  46  -7.600  -4.146  -4.146
  312   2HE   LYS  46          1HE       LYS  46  -8.559  -4.001  -4.001
  313   1HZ   LYS  46          1HZ       LYS  46  -7.458  -6.230  -6.230
  314   2HZ   LYS  46          3HZ       LYS  46  -7.128  -6.351  -6.351
  315   3HZ   LYS  46          2HZ       LYS  46  -8.735  -6.228  -6.228
  316    H    LYS  47           H        LYS  47  -8.127  -5.000  -5.000
  317    HA   LYS  47           HA       LYS  47  -9.972  -3.955  -3.955
  318   1HB   LYS  47          2HB       LYS  47 -11.016  -3.490  -3.490
  319   2HB   LYS  47          1HB       LYS  47 -11.925  -3.856  -3.856
  320   1HG   LYS  47          2HG       LYS  47  -9.928  -5.806  -5.806
  321   2HG   LYS  47          1HG       LYS  47 -11.609  -5.779  -5.779
  322   1HD   LYS  47          2HD       LYS  47 -11.154  -5.780  -5.780
  323   2HD   LYS  47          1HD       LYS  47 -10.769  -7.274  -7.274
  324   1HE   LYS  47          2HE       LYS  47 -13.290  -6.136  -6.136
  325   2HE   LYS  47          1HE       LYS  47 -13.310  -6.454  -6.454
  326   1HZ   LYS  47          1HZ       LYS  47 -12.152  -8.669  -8.669
  327   2HZ   LYS  47          3HZ       LYS  47 -13.109  -8.313  -8.313
  328   3HZ   LYS  47          2HZ       LYS  47 -13.835  -8.512  -8.512
  329    H    LYS  48           H        LYS  48 -11.285  -1.816  -1.816
  330    HA   LYS  48           HA       LYS  48  -9.376   0.367   0.367
  331   1HB   LYS  48          2HB       LYS  48 -11.227   1.772   1.772
  332   2HB   LYS  48          1HB       LYS  48 -10.979   0.344   0.344
  333   1HG   LYS  48          2HG       LYS  48 -12.777  -0.501  -0.501
  334   2HG   LYS  48          1HG       LYS  48 -13.323   1.123   1.123
  335   1HD   LYS  48          2HD       LYS  48 -14.194   0.344   0.344
  336   2HD   LYS  48          1HD       LYS  48 -12.602  -0.232  -0.232
  337   1HE   LYS  48          2HE       LYS  48 -13.179  -2.371  -2.371
  338   2HE   LYS  48          1HE       LYS  48 -13.721  -1.970  -1.970
  339   1HZ   LYS  48          1HZ       LYS  48 -15.590  -0.923  -0.923
  340   2HZ   LYS  48          3HZ       LYS  48 -15.272  -2.505  -2.505
  341   3HZ   LYS  48          2HZ       LYS  48 -15.790  -2.226  -2.226
  342   1H    NH2  49          1HT       LYS  48 -11.036   2.486   2.486
  343   2H    NH2  49          2HT       LYS  48 -11.386   2.228   2.228

  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1   3.019  -2.606  -2.606
    2   2H    ALA   1          3H        ALA   1   4.400  -3.450  -3.450
    3   3H    ALA   1          2H        ALA   1   4.250  -2.965  -2.965
    4    HA   ALA   1           HA       ALA   1   4.915  -0.875  -0.875
    5   1HB   ALA   1          2HB       ALA   1   6.468  -2.606  -2.606
    6   2HB   ALA   1          1HB       ALA   1   5.847  -1.795  -1.795
    7   3HB   ALA   1          3HB       ALA   1   6.717  -0.872  -0.872
    8    H    ALA   2           H        ALA   2   3.393   0.694   0.694
    9    HA   ALA   2           HA       ALA   2   1.384   0.827   0.827
   10   1HB   ALA   2          2HB       ALA   2   1.934   2.495   2.495
   11   2HB   ALA   2          1HB       ALA   2   2.996   3.280   3.280
   12   3HB   ALA   2          3HB       ALA   2   1.265   3.166   3.166
   13    H    CYS   3           H        CYS   3   1.291   2.286   2.286
   14    HA   CYS   3           HA       CYS   3   3.821   2.671   2.671
   15   1HB   CYS   3          2HB       CYS   3   3.520   0.338   0.338
   16   2HB   CYS   3          1HB       CYS   3   1.811   0.577   0.577
   17    H    LYS   4           H        LYS   4   0.924   2.030   2.030
   18    HA   LYS   4           HA       LYS   4  -0.548   4.357   4.357
   19   1HB   LYS   4          2HB       LYS   4   2.140   4.904   4.904
   20   2HB   LYS   4          1HB       LYS   4   0.939   5.313   5.313
   21   1HG   LYS   4          2HG       LYS   4   0.097   7.034   7.034
   22   2HG   LYS   4          1HG       LYS   4   0.217   6.139   6.139
   23   1HD   LYS   4          2HD       LYS   4   1.747   8.113   8.113
   24   2HD   LYS   4          1HD       LYS   4   2.610   6.588   6.588
   25   1HE   LYS   4          2HE       LYS   4   3.283   6.545   6.545
   26   2HE   LYS   4          1HE       LYS   4   2.147   7.823   7.823
   27   1HZ   LYS   4          2HZ       LYS   4   3.995   8.557   8.557
   28   2HZ   LYS   4          1HZ       LYS   4   4.748   8.202   8.202
   29   3HZ   LYS   4          3HZ       LYS   4   3.552   9.401   9.401
   30    H    CYS   5           H        CYS   5  -1.143   5.037   5.037
   31    HA   CYS   5           HA       CYS   5  -1.502   2.425   2.425
   32   1HB   CYS   5          2HB       CYS   5  -3.479   4.252   4.252
   33   2HB   CYS   5          1HB       CYS   5  -3.583   4.212   4.212
   34    H    ASP   6           H        ASP   6  -1.919   2.753   2.753
   35    HA   ASP   6           HA       ASP   6   0.057   4.646   4.646
   36   1HB   ASP   6          2HB       ASP   6  -0.041   2.454   2.454
   37   2HB   ASP   6          1HB       ASP   6  -1.767   2.631   2.631
   38    H    ASP   7           H        ASP   7  -2.949   5.172   5.172
   39    HA   ASP   7           HA       ASP   7  -3.410   7.307   7.307
   40   1HB   ASP   7          2HB       ASP   7  -5.947   6.751   6.751
   41   2HB   ASP   7          1HB       ASP   7  -5.040   5.810   5.810
   42    H    GLU   8           H        GLU   8  -2.399   7.086   7.086
   43    HA   GLU   8           HA       GLU   8  -4.168   7.968   7.968
   44   1HB   GLU   8          2HB       GLU   8  -1.357   8.938   8.938
   45   2HB   GLU   8          1HB       GLU   8  -2.248   9.367   9.367
   46   1HG   GLU   8          2HG       GLU   8  -2.035   6.477   6.477
   47   2HG   GLU   8          1HG       GLU   8  -0.655   7.262   7.262
   48    H    GLY   9           H        GLY   9  -2.615   9.992   9.992
   49   1HA   GLY   9          2HA       GLY   9  -4.494  11.643  11.643
   50   2HA   GLY   9          1HA       GLY   9  -4.384  12.246  12.246
   51    HA   PRO  10           HA       PRO  10  -1.174  14.433  14.433
   52   1HB   PRO  10          2HB       PRO  10  -2.220  16.939  16.939
   53   2HB   PRO  10          1HB       PRO  10  -2.698  15.862  15.862
   54   1HG   PRO  10          2HG       PRO  10  -4.187  16.602  16.602
   55   2HG   PRO  10          1HG       PRO  10  -4.802  16.093  16.093
   56   1HD   PRO  10          2HD       PRO  10  -4.613  14.479  14.479
   57   2HD   PRO  10          1HD       PRO  10  -4.951  13.911  13.911
   58    H    ASP  11           H        ASP  11  -2.759  15.797  15.797
   59    HA   ASP  11           HA       ASP  11  -0.401  17.064  17.064
   60   1HB   ASP  11          2HB       ASP  11  -3.066  16.295  16.295
   61   2HB   ASP  11          1HB       ASP  11  -1.780  16.689  16.689
   62    H    ILE  12           H        ILE  12   0.563  16.345  16.345
   63    HA   ILE  12           HA       ILE  12   1.056  13.396  13.396
   64    HB   ILE  12           HB       ILE  12   2.982  14.999  14.999
   65   1HG1  ILE  12          2HG1      ILE  12   3.136  12.562  12.562
   66   2HG1  ILE  12          1HG1      ILE  12   4.575  13.556  13.556
   67   1HG2  ILE  12          1HG2      ILE  12   2.769  15.467  15.467
   68   2HG2  ILE  12          3HG2      ILE  12   4.125  15.972  15.972
   69   3HG2  ILE  12          2HG2      ILE  12   2.526  16.674  16.674
   70   1HD1  ILE  12          3HD1      ILE  12   2.943  13.899  13.899
   71   2HD1  ILE  12          2HD1      ILE  12   3.057  12.171  12.171
   72   3HD1  ILE  12          1HD1      ILE  12   4.523  13.127  13.127
   73    H    ARG  13           H        ARG  13   0.058  16.074  16.074
   74    HA   ARG  13           HA       ARG  13   0.439  14.660  14.660
   75   1HB   ARG  13          2HB       ARG  13  -0.919  17.261  17.261
   76   2HB   ARG  13          1HB       ARG  13  -0.894  16.632  16.632
   77   1HG   ARG  13          2HG       ARG  13   1.761  16.439  16.439
   78   2HG   ARG  13          1HG       ARG  13   1.207  18.001  18.001
   79   1HD   ARG  13          2HD       ARG  13   1.069  17.016  17.016
   80   2HD   ARG  13          1HD       ARG  13   2.095  18.309  18.309
   81    HE   ARG  13           HE       ARG  13  -0.637  18.619  18.619
   82   1HH1  ARG  13          1HH2      ARG  13  -1.809  19.441  19.441
   83   2HH1  ARG  13          2HH2      ARG  13  -1.105  20.934  20.934
   84   1HH2  ARG  13          2HH1      ARG  13   1.759  20.566  20.566
   85   2HH2  ARG  13          1HH1      ARG  13   0.915  21.570  21.570
   86    H    THR  14           H        THR  14  -1.796  14.500  14.500
   87    HA   THR  14           HA       THR  14  -4.107  13.901  13.901
   88    HB   THR  14           HB       THR  14  -4.569  15.106  15.106
   89    HG1  THR  14           HG1      THR  14  -5.368  12.454  12.454
   90   1HG2  THR  14          3HG2      THR  14  -2.837  12.968  12.968
   91   2HG2  THR  14          2HG2      THR  14  -4.172  13.532  13.532
   92   3HG2  THR  14          1HG2      THR  14  -2.953  14.673  14.673
   93    H    ALA  15           H        ALA  15  -1.678  12.242  12.242
   94    HA   ALA  15           HA       ALA  15  -2.749   9.710   9.710
   95   1HB   ALA  15          3HB       ALA  15  -0.089  10.827  10.827
   96   2HB   ALA  15          2HB       ALA  15  -0.172   9.221   9.221
   97   3HB   ALA  15          1HB       ALA  15  -0.619   9.450   9.450
   98    HA   PRO  16           HA       PRO  16  -3.602   8.868   8.868
   99   1HB   PRO  16          2HB       PRO  16  -5.651   7.142   7.142
  100   2HB   PRO  16          1HB       PRO  16  -5.841   8.901   8.901
  101   1HG   PRO  16          2HG       PRO  16  -5.774   7.051   7.051
  102   2HG   PRO  16          1HG       PRO  16  -6.531   8.644   8.644
  103   1HD   PRO  16          2HD       PRO  16  -4.067   8.048   8.048
  104   2HD   PRO  16          1HD       PRO  16  -4.716   9.666   9.666
  105    H    LEU  17           H        LEU  17  -1.748   7.331   7.331
  106    HA   LEU  17           HA       LEU  17  -0.729   5.230   5.230
  107   1HB   LEU  17          2HB       LEU  17  -1.032   5.967   5.967
  108   2HB   LEU  17          1HB       LEU  17  -0.603   4.287   4.287
  109    HG   LEU  17           HG       LEU  17   1.232   5.161   5.161
  110   1HD1  LEU  17          3HD1      LEU  17  -0.090   7.626   7.626
  111   2HD1  LEU  17          2HD1      LEU  17   1.560   7.696   7.696
  112   3HD1  LEU  17          1HD1      LEU  17   1.272   7.364   7.364
  113   1HD2  LEU  17          2HD2      LEU  17   1.089   5.024   5.024
  114   2HD2  LEU  17          1HD2      LEU  17   2.464   4.674   4.674
  115   3HD2  LEU  17          3HD2      LEU  17   2.199   6.316   6.316
  116    H    THR  18           H        THR  18  -3.083   4.719   4.719
  117    HA   THR  18           HA       THR  18  -4.574   2.798   2.798
  118    HB   THR  18           HB       THR  18  -5.788   4.343   4.343
  119    HG1  THR  18           HG1      THR  18  -6.945   2.561   2.561
  120   1HG2  THR  18          1HG2      THR  18  -3.737   3.709   3.709
  121   2HG2  THR  18          3HG2      THR  18  -5.156   2.912   2.912
  122   3HG2  THR  18          2HG2      THR  18  -5.184   4.648   4.648
  123    H    GLY  19           H        GLY  19  -1.718   2.463   2.463
  124   1HA   GLY  19          2HA       GLY  19  -2.271  -0.140  -0.140
  125   2HA   GLY  19          1HA       GLY  19  -0.796   0.804   0.804
  126    H    THR  20           H        THR  20  -0.379  -1.770  -1.770
  127    HA   THR  20           HA       THR  20   0.721  -1.555  -1.555
  128    HB   THR  20           HB       THR  20  -0.879  -4.009  -4.009
  129    HG1  THR  20           HG1      THR  20  -1.892  -1.977  -1.977
  130   1HG2  THR  20          3HG2      THR  20   0.616  -2.971  -2.971
  131   2HG2  THR  20          2HG2      THR  20  -0.989  -3.573  -3.573
  132   3HG2  THR  20          1HG2      THR  20   0.168  -4.630  -4.630
  133    H    VAL  21           H        VAL  21   2.271  -3.371  -3.371
  134    HA   VAL  21           HA       VAL  21   3.575  -4.178  -4.178
  135    HB   VAL  21           HB       VAL  21   4.572  -4.005  -4.005
  136   1HG1  VAL  21          1HG1      VAL  21   5.828  -5.227  -5.227
  137   2HG1  VAL  21          3HG1      VAL  21   6.800  -4.639  -4.639
  138   3HG1  VAL  21          2HG1      VAL  21   5.643  -5.946  -5.946
  139   1HG2  VAL  21          3HG2      VAL  21   5.152  -2.541  -2.541
  140   2HG2  VAL  21          2HG2      VAL  21   4.573  -1.866  -1.866
  141   3HG2  VAL  21          1HG2      VAL  21   6.230  -2.454  -2.454
  142    H    ASP  22           H        ASP  22   4.021  -6.363  -6.363
  143    HA   ASP  22           HA       ASP  22   3.061  -8.367  -8.367
  144   1HB   ASP  22          2HB       ASP  22   1.820  -7.719  -7.719
  145   2HB   ASP  22          1HB       ASP  22   2.322  -9.408  -9.408
  146    H    LEU  23           H        LEU  23   5.373  -8.744  -8.744
  147    HA   LEU  23           HA       LEU  23   7.303  -9.278  -9.278
  148   1HB   LEU  23          2HB       LEU  23   6.929  -9.890  -9.890
  149   2HB   LEU  23          1HB       LEU  23   7.550 -11.331 -11.331
  150    HG   LEU  23           HG       LEU  23   9.416  -9.933  -9.933
  151   1HD1  LEU  23          1HD1      LEU  23   9.072 -10.964 -10.964
  152   2HD1  LEU  23          3HD1      LEU  23   9.563  -9.303  -9.303
  153   3HD1  LEU  23          2HD1      LEU  23  10.595 -10.349 -10.349
  154   1HD2  LEU  23          3HD2      LEU  23   7.677  -7.832  -7.832
  155   2HD2  LEU  23          2HD2      LEU  23   9.186  -7.691  -7.691
  156   3HD2  LEU  23          1HD2      LEU  23   9.211  -7.714  -7.714
  157    H    GLY  24           H        GLY  24   7.513 -10.771 -10.771
  158   1HA   GLY  24          2HA       GLY  24   7.392 -13.056 -13.056
  159   2HA   GLY  24          1HA       GLY  24   6.021 -13.338 -13.338
  160    H    SER  25           H        SER  25   3.943 -12.579 -12.579
  161    HA   SER  25           HA       SER  25   3.619 -11.117 -11.117
  162   1HB   SER  25          2HB       SER  25   4.019 -13.675 -13.675
  163   2HB   SER  25          1HB       SER  25   2.349 -13.837 -13.837
  164    HG   SER  25           HG       SER  25   3.293 -12.074 -12.074
  165    H    CYS  26           H        CYS  26   1.568 -10.176 -10.176
  166    HA   CYS  26           HA       CYS  26   0.065  -9.844  -9.844
  167   1HB   CYS  26          2HB       CYS  26  -0.833  -9.617  -9.617
  168   2HB   CYS  26          1HB       CYS  26  -1.759  -9.023  -9.023
  169    H    ASN  27           H        ASN  27  -2.437 -10.474 -10.474
  170    HA   ASN  27           HA       ASN  27  -2.619 -13.389 -13.389
  171   1HB   ASN  27          2HB       ASN  27  -2.908 -12.007 -12.007
  172   2HB   ASN  27          1HB       ASN  27  -4.363 -12.916 -12.916
  173   1HD2  ASN  27          2HD2      ASN  27  -2.872 -16.031 -16.031
  174   2HD2  ASN  27          1HD2      ASN  27  -4.289 -15.153 -15.153
  175    H    ALA  28           H        ALA  28  -5.140 -13.998 -13.998
  176    HA   ALA  28           HA       ALA  28  -6.493 -12.449 -12.449
  177   1HB   ALA  28          1HB       ALA  28  -6.975 -14.948 -14.948
  178   2HB   ALA  28          3HB       ALA  28  -8.435 -14.075 -14.075
  179   3HB   ALA  28          2HB       ALA  28  -7.278 -14.579 -14.579
  180    H    GLY  29           H        GLY  29  -7.880 -10.764 -10.764
  181   1HA   GLY  29          2HA       GLY  29  -9.795  -9.838  -9.838
  182   2HA   GLY  29          1HA       GLY  29  -8.938 -10.327 -10.327
  183    H    TRP  30           H        TRP  30  -6.452  -9.350  -9.350
  184    HA   TRP  30           HA       TRP  30  -6.627  -6.569  -6.569
  185   1HB   TRP  30          2HB       TRP  30  -4.349  -8.421  -8.421
  186   2HB   TRP  30          1HB       TRP  30  -4.080  -6.680  -6.680
  187    HD1  TRP  30           HD1      TRP  30  -5.608  -9.490  -9.490
  188    HE1  TRP  30           HE1      TRP  30  -5.162  -8.919  -8.919
  189    HE3  TRP  30           HE3      TRP  30  -3.327  -4.953  -4.953
  190    HZ2  TRP  30           HZ2      TRP  30  -3.992  -6.816  -6.816
  191    HZ3  TRP  30           HZ3      TRP  30  -2.557  -3.690  -3.690
  192    HH2  TRP  30           HH2      TRP  30  -2.885  -4.614  -4.614
  193    H    GLU  31           H        GLU  31  -6.146  -4.790  -4.790
  194    HA   GLU  31           HA       GLU  31  -6.403  -5.411  -5.411
  195   1HB   GLU  31          2HB       GLU  31  -6.878  -2.789  -2.789
  196   2HB   GLU  31          1HB       GLU  31  -7.222  -3.121  -3.121
  197   1HG   GLU  31          2HG       GLU  31  -8.721  -5.030  -5.030
  198   2HG   GLU  31          1HG       GLU  31  -8.583  -4.274  -4.274
  199    H    LYS  32           H        LYS  32  -4.163  -5.805  -5.805
  200    HA   LYS  32           HA       LYS  32  -1.937  -4.397  -4.397
  201   1HB   LYS  32          2HB       LYS  32  -2.101  -6.347  -6.347
  202   2HB   LYS  32          1HB       LYS  32  -2.264  -5.084  -5.084
  203   1HG   LYS  32          2HG       LYS  32  -0.127  -4.164  -4.164
  204   2HG   LYS  32          1HG       LYS  32  -0.009  -5.090  -5.090
  205   1HD   LYS  32          2HD       LYS  32  -0.273  -7.145  -7.145
  206   2HD   LYS  32          1HD       LYS  32   0.411  -5.982  -5.982
  207   1HE   LYS  32          2HE       LYS  32   2.242  -5.550  -5.550
  208   2HE   LYS  32          1HE       LYS  32   1.617  -6.915  -6.915
  209   1HZ   LYS  32          1HZ       LYS  32   1.947  -7.559  -7.559
  210   2HZ   LYS  32          3HZ       LYS  32   3.405  -7.034  -7.034
  211   3HZ   LYS  32          2HZ       LYS  32   2.567  -8.344  -8.344
  212    H    CYS  33           H        CYS  33  -1.468  -2.259  -2.259
  213    HA   CYS  33           HA       CYS  33  -2.845  -0.518  -0.518
  214   1HB   CYS  33          2HB       CYS  33  -2.220  -0.249  -0.249
  215   2HB   CYS  33          1HB       CYS  33  -1.374   1.016   1.016
  216    H    ALA  34           H        ALA  34   0.334  -1.509  -1.509
  217    HA   ALA  34           HA       ALA  34   1.513  -0.089  -0.089
  218   1HB   ALA  34          3HB       ALA  34   2.557  -0.186  -0.186
  219   2HB   ALA  34          2HB       ALA  34   3.560   0.277   0.277
  220   3HB   ALA  34          1HB       ALA  34   2.149   1.245   1.245
  221    H    SER  35           H        SER  35   2.287  -1.659  -1.659
  222    HA   SER  35           HA       SER  35   2.623  -4.363  -4.363
  223   1HB   SER  35          2HB       SER  35   4.436  -2.763  -2.763
  224   2HB   SER  35          1HB       SER  35   4.079  -4.484  -4.484
  225    HG   SER  35           HG       SER  35   2.483  -2.259  -2.259
  226    H    TYR  36           H        TYR  36   5.504  -2.278  -2.278
  227    HA   TYR  36           HA       TYR  36   6.927  -4.014  -4.014
  228   1HB   TYR  36          2HB       TYR  36   7.992  -3.239  -3.239
  229   2HB   TYR  36          1HB       TYR  36   7.963  -1.596  -1.596
  230    HD1  TYR  36           HD2      TYR  36   9.253  -5.034  -5.034
  231    HD2  TYR  36           HD1      TYR  36   9.595  -0.852  -0.852
  232    HE1  TYR  36           HE2      TYR  36  11.354  -5.480  -5.480
  233    HE2  TYR  36           HE1      TYR  36  11.697  -1.298  -1.298
  234    HH   TYR  36           HH       TYR  36  13.301  -2.833  -2.833
  235    H    TYR  37           H        TYR  37   8.355  -2.801  -2.801
  236    HA   TYR  37           HA       TYR  37   7.379  -0.210  -0.210
  237   1HB   TYR  37          2HB       TYR  37   5.571  -1.488  -1.488
  238   2HB   TYR  37          1HB       TYR  37   6.666  -2.748  -2.748
  239    HD1  TYR  37           HD1      TYR  37   7.017   0.967   0.967
  240    HD2  TYR  37           HD2      TYR  37   6.445  -2.716  -2.716
  241    HE1  TYR  37           HE1      TYR  37   7.285   2.172   2.172
  242    HE2  TYR  37           HE2      TYR  37   6.713  -1.512  -1.512
  243    HH   TYR  37           HH       TYR  37   8.000   1.550   1.550
  244    H    THR  38           H        THR  38   8.459  -2.652  -2.652
  245    HA   THR  38           HA       THR  38  10.901  -1.092  -1.092
  246    HB   THR  38           HB       THR  38  10.699  -3.658  -3.658
  247    HG1  THR  38           HG1      THR  38   8.830  -2.672  -2.672
  248   1HG2  THR  38          1HG2      THR  38  11.810  -1.211  -1.211
  249   2HG2  THR  38          3HG2      THR  38  10.343  -1.095  -1.095
  250   3HG2  THR  38          2HG2      THR  38  11.495  -2.398  -2.398
  251    H    ILE  39           H        ILE  39  12.889  -2.762  -2.762
  252    HA   ILE  39           HA       ILE  39  14.047  -3.495  -3.495
  253    HB   ILE  39           HB       ILE  39  14.324  -4.806  -4.806
  254   1HG1  ILE  39          2HG1      ILE  39  16.668  -3.500  -3.500
  255   2HG1  ILE  39          1HG1      ILE  39  15.432  -2.449  -2.449
  256   1HG2  ILE  39          2HG2      ILE  39  15.902  -5.229  -5.229
  257   2HG2  ILE  39          1HG2      ILE  39  16.490  -5.698  -5.698
  258   3HG2  ILE  39          3HG2      ILE  39  15.037  -6.448  -6.448
  259   1HD1  ILE  39          2HD1      ILE  39  14.486  -3.244  -3.244
  260   2HD1  ILE  39          1HD1      ILE  39  16.171  -2.772  -2.772
  261   3HD1  ILE  39          3HD1      ILE  39  15.019  -1.638  -1.638
  262    H    ILE  40           H        ILE  40  11.937  -5.535  -5.535
  263    HA   ILE  40           HA       ILE  40  11.261  -7.107  -7.107
  264    HB   ILE  40           HB       ILE  40  13.241  -8.182  -8.182
  265   1HG1  ILE  40          2HG1      ILE  40  10.993  -9.254  -9.254
  266   2HG1  ILE  40          1HG1      ILE  40  12.526 -10.072 -10.072
  267   1HG2  ILE  40          1HG2      ILE  40  11.063  -8.702  -8.702
  268   2HG2  ILE  40          3HG2      ILE  40  12.653  -9.466  -9.466
  269   3HG2  ILE  40          2HG2      ILE  40  12.512  -7.725  -7.725
  270   1HD1  ILE  40          2HD1      ILE  40  11.617 -10.807 -10.807
  271   2HD1  ILE  40          1HD1      ILE  40  10.050 -10.179 -10.179
  272   3HD1  ILE  40          3HD1      ILE  40  10.797 -11.508 -11.508
  273    H    ALA  41           H        ALA  41  10.093  -5.274  -5.274
  274    HA   ALA  41           HA       ALA  41   7.980  -7.089  -7.089
  275   1HB   ALA  41          2HB       ALA  41   9.265  -4.772  -4.772
  276   2HB   ALA  41          1HB       ALA  41   7.581  -4.331  -4.331
  277   3HB   ALA  41          3HB       ALA  41   7.971  -5.698  -5.698
  278    H    ASP  42           H        ASP  42   5.712  -5.831  -5.831
  279    HA   ASP  42           HA       ASP  42   5.269  -4.552  -4.552
  280   1HB   ASP  42          2HB       ASP  42   3.963  -7.031  -7.031
  281   2HB   ASP  42          1HB       ASP  42   3.069  -5.975  -5.975
  282    H    CYS  43           H        CYS  43   3.213  -3.358  -3.358
  283    HA   CYS  43           HA       CYS  43   2.314  -2.540  -2.540
  284   1HB   CYS  43          2HB       CYS  43   2.930  -0.955  -0.955
  285   2HB   CYS  43          1HB       CYS  43   1.719  -0.352  -0.352
  286    H    CYS  44           H        CYS  44   0.521  -3.980  -3.980
  287    HA   CYS  44           HA       CYS  44  -1.473  -3.629  -3.629
  288   1HB   CYS  44          2HB       CYS  44  -0.892  -5.773  -5.773
  289   2HB   CYS  44          1HB       CYS  44  -2.556  -5.590  -5.590
  290    H    ARG  45           H        ARG  45  -3.597  -2.944  -2.944
  291    HA   ARG  45           HA       ARG  45  -3.904  -1.681  -1.681
  292   1HB   ARG  45          2HB       ARG  45  -4.026  -0.117  -0.117
  293   2HB   ARG  45          1HB       ARG  45  -5.318  -1.079  -1.079
  294   1HG   ARG  45          2HG       ARG  45  -5.891  -0.402  -0.402
  295   2HG   ARG  45          1HG       ARG  45  -5.647   1.038   1.038
  296   1HD   ARG  45          2HD       ARG  45  -7.603  -1.219  -1.219
  297   2HD   ARG  45          1HD       ARG  45  -7.985   0.463   0.463
  298    HE   ARG  45           HE       ARG  45  -6.390   0.410   0.410
  299   1HH1  ARG  45          1HH2      ARG  45  -9.338  -0.996  -0.996
  300   2HH1  ARG  45          2HH2      ARG  45 -10.195  -0.635  -0.635
  301   1HH2  ARG  45          2HH1      ARG  45  -7.550   1.087   1.087
  302   2HH2  ARG  45          1HH1      ARG  45  -9.182   0.545   0.545
  303    H    LYS  46           H        LYS  46  -4.814  -3.387  -3.387
  304    HA   LYS  46           HA       LYS  46  -6.626  -5.329  -5.329
  305   1HB   LYS  46          2HB       LYS  46  -7.494  -5.301  -5.301
  306   2HB   LYS  46          1HB       LYS  46  -5.732  -5.299  -5.299
  307   1HG   LYS  46          2HG       LYS  46  -5.601  -2.984  -2.984
  308   2HG   LYS  46          1HG       LYS  46  -7.317  -2.734  -2.734
  309   1HD   LYS  46          2HD       LYS  46  -7.461  -2.879  -2.879
  310   2HD   LYS  46          1HD       LYS  46  -7.504  -4.607  -4.607
  311   1HE   LYS  46          2HE       LYS  46  -5.818  -4.414  -4.414
  312   2HE   LYS  46          1HE       LYS  46  -4.919  -4.490  -4.490
  313   1HZ   LYS  46          2HZ       LYS  46  -5.034  -1.982  -1.982
  314   2HZ   LYS  46          1HZ       LYS  46  -5.538  -2.107  -2.107
  315   3HZ   LYS  46          3HZ       LYS  46  -4.016  -2.698  -2.698
  316    H    LYS  47           H        LYS  47  -9.026  -5.424  -5.424
  317    HA   LYS  47           HA       LYS  47 -10.269  -2.970  -2.970
  318   1HB   LYS  47          2HB       LYS  47 -10.977  -5.855  -5.855
  319   2HB   LYS  47          1HB       LYS  47 -12.324  -4.717  -4.717
  320   1HG   LYS  47          2HG       LYS  47 -11.911  -3.917  -3.917
  321   2HG   LYS  47          1HG       LYS  47 -10.187  -4.279  -4.279
  322   1HD   LYS  47          2HD       LYS  47 -10.578  -6.183  -6.183
  323   2HD   LYS  47          1HD       LYS  47 -11.526  -6.760  -6.760
  324   1HE   LYS  47          2HE       LYS  47 -13.473  -6.457  -6.457
  325   2HE   LYS  47          1HE       LYS  47 -13.008  -4.838  -4.838
  326   1HZ   LYS  47          2HZ       LYS  47 -11.577  -6.985  -6.985
  327   2HZ   LYS  47          1HZ       LYS  47 -13.243  -6.947  -6.947
  328   3HZ   LYS  47          3HZ       LYS  47 -12.282  -5.588  -5.588
  329    H    LYS  48           H        LYS  48  -9.954  -1.802  -1.802
  330    HA   LYS  48           HA       LYS  48 -12.300  -2.253  -2.253
  331   1HB   LYS  48          2HB       LYS  48  -9.417  -2.310  -2.310
  332   2HB   LYS  48          1HB       LYS  48 -10.678  -1.780  -1.780
  333   1HG   LYS  48          2HG       LYS  48 -10.585  -4.444  -4.444
  334   2HG   LYS  48          1HG       LYS  48 -10.282  -4.185  -4.185
  335   1HD   LYS  48          2HD       LYS  48 -12.738  -2.953  -2.953
  336   2HD   LYS  48          1HD       LYS  48 -12.828  -4.398  -4.398
  337   1HE   LYS  48          2HE       LYS  48 -12.556  -5.844  -5.844
  338   2HE   LYS  48          1HE       LYS  48 -11.769  -4.616  -4.616
  339   1HZ   LYS  48          1HZ       LYS  48 -13.971  -3.418  -3.418
  340   2HZ   LYS  48          3HZ       LYS  48 -14.641  -4.848  -4.848
  341   3HZ   LYS  48          2HZ       LYS  48 -13.922  -4.848  -4.848
  342   1H    NH2  49          1HT       LYS  48 -12.942  -0.218  -0.218
  343   2H    NH2  49          2HT       LYS  48 -12.305   1.269   1.269