*HEADER    HORMONE/GROWTH FACTOR                   08-APR-99   1QFA              
*TITLE     STRUCTURE OF A NEUROPEPTIDE Y Y2 AGONIST                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROPEPTIDE Y;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NPY Y2 RECEPTOR AGONIST;                                   
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: PEPTIDE N-TERMINALLY ACETYLATED AND C-                
*COMPND   8 TERMINALLY AMIDATED.                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN HOMO              
*SOURCE   5 SAPIENS (HUMAN).                                                     
*KEYWDS    NEUROPEPTIDE Y, AGONIST, HELIX                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.J.BARNHAM, F.CATALFAMO, P.K.PALLAGHY, G.J.HOWLETT,                  
*AUTHOR   2 R.S.NORTON                                                           
*REVDAT   1   08-APR-00 1QFA    0                                                
      assign (resid  23 and name c) (resid  24 and name n)
             (resid  24 and name ca) (resid  24 and name c)  1  -60.0   30.0  2
      assign (resid  24 and name c) (resid  25 and name n)
             (resid  25 and name ca) (resid  25 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
      assign (resid  28 and name c) (resid  29 and name n)
             (resid  29 and name ca) (resid  29 and name c)  1  -60.0   30.0  2
      assign (resid  29 and name c) (resid  30 and name n)
             (resid  30 and name ca) (resid  30 and name c)  1  -60.0   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  -60.0   30.0  2
      assign (resid  31 and name c) (resid  32 and name n)
             (resid  32 and name ca) (resid  32 and name c)  1  -60.0   40.0  2
      assign (resid  32 and name c) (resid  33 and name n)
             (resid  33 and name ca) (resid  33 and name c)  1  -60.0   30.0  2
      assign (resid  34 and name c) (resid  35 and name n)
             (resid  35 and name ca) (resid  35 and name c)  1  -60.0   40.0  2
      assign (resid  35 and name c) (resid  36 and name n)
             (resid  36 and name ca) (resid  36 and name c)  1 -120.0   40.0  2



!23 ACE
assign (resid  23 and name  HA#) (resid  24 and name   HN) 0.00 0  4.00
assign (resid  23 and name  HA#) (resid  24 and name   HA) 0.00 0  4.50
assign (resid  23 and name  HA#) (resid  25 and name   HN) 0.00 0  5.00
assign (resid  23 and name  HA#) (resid  26 and name  HB#) 0.00 0  5.00
!24 LEU
assign (resid  24 and name   HN) (resid  24 and name  HB2) 0.00 0  2.50
assign (resid  24 and name   HN) (resid  24 and name  HB1) 0.00 0  2.50
assign (resid  24 and name   HN) (resid  24 and name HD1#) 0.00 0  5.10
assign (resid  24 and name   HN) (resid  24 and name HD2#) 0.00 0  5.10
assign (resid  24 and name   HN) (resid  24 and name  HD#) 0.00 0  4.75
assign (resid  24 and name   HN) (resid  25 and name   HN) 0.00 0  2.60
assign (resid  24 and name   HN) (resid  25 and name  HD#) 0.00 0  7.10
assign (resid  24 and name   HN) (resid  27 and name  HB#) 0.00 0  6.58
assign (resid  24 and name   HN) (resid  27 and name  HD#) 0.00 0  8.20
assign (resid  24 and name   HA) (resid  24 and name HD1#) 0.00 0  6.60
assign (resid  24 and name   HA) (resid  24 and name HD2#) 0.00 0  6.60
assign (resid  24 and name   HA) (resid  25 and name   HN) 0.00 0  3.10
assign (resid  24 and name   HA) (resid  25 and name  HD#) 0.00 0  5.70
assign (resid  24 and name   HA) (resid  27 and name   HN) 0.00 0  3.30
assign (resid  24 and name   HA) (resid  27 and name  HB#) 0.00 0  5.08
assign (resid  24 and name   HA) (resid  27 and name  HD#) 0.00 0  8.90
assign (resid  24 and name   HA) (resid  28 and name   HN) 0.00 0  5.00
assign (resid  24 and name  HB#) (resid  27 and name   HN) 0.00 0  5.48
assign (resid  24 and name  HB#) (resid  27 and name  HE#) 0.00 0  9.58
assign (resid  24 and name HD1#) (resid  25 and name   HN) 0.00 0  6.20
assign (resid  24 and name HD1#) (resid  27 and name  HB2) 0.00 0  8.94
assign (resid  24 and name HD1#) (resid  27 and name  HB1) 0.00 0  8.94
assign (resid  24 and name HD2#) (resid  25 and name   HN) 0.00 0  6.20
assign (resid  24 and name HD2#) (resid  27 and name  HB2) 0.00 0  8.94
assign (resid  24 and name HD2#) (resid  27 and name  HB1) 0.00 0  8.94
assign (resid  24 and name  HD#) (resid  27 and name   HN) 0.00 0  7.47
assign (resid  24 and name  HD#) (resid  27 and name  HB#) 0.00 0  7.02
assign (resid  24 and name  HD#) (resid  27 and name  HD#) 0.00 0 11.57
assign (resid  24 and name  HD#) (resid  27 and name  HE#) 0.00 0 11.57
assign (resid  24 and name  HD#) (resid  28 and name   HN) 0.00 0  6.97
assign (resid  24 and name  HD#) (resid  28 and name  HB#) 0.00 0  7.95
!25 ARG
assign (resid  25 and name   HN) (resid  25 and name  HB#) 0.00 0  3.28
assign (resid  25 and name   HN) (resid  25 and name  HG#) 0.00 0  4.30
assign (resid  25 and name   HN) (resid  25 and name  HD#) 0.00 0  5.70
assign (resid  25 and name   HN) (resid  25 and name HH2#) 0.00 0  6.67
assign (resid  25 and name   HN) (resid  26 and name   HN) 0.00 0  2.40
assign (resid  25 and name   HN) (resid  26 and name   HA) 0.00 0  4.90
assign (resid  25 and name   HN) (resid  26 and name  HB#) 0.00 0  5.60
assign (resid  25 and name   HN) (resid  27 and name  HD#) 0.00 0  9.00
assign (resid  25 and name   HN) (resid  28 and name  HB#) 0.00 0  6.98
assign (resid  25 and name   HN) (resid  28 and name  HD#) 0.00 0  7.57
assign (resid  25 and name   HA) (resid  25 and name  HD#) 0.00 0  5.70
assign (resid  25 and name   HA) (resid  25 and name HH2#) 0.00 0  5.37
assign (resid  25 and name   HA) (resid  28 and name   HN) 0.00 0  3.30
assign (resid  25 and name   HA) (resid  28 and name  HD#) 0.00 0  6.37
assign (resid  25 and name   HA) (resid  29 and name   HN) 0.00 0  4.00
assign (resid  25 and name  HB2) (resid  25 and name   HE) 0.00 0  3.90
assign (resid  25 and name  HB1) (resid  25 and name   HE) 0.00 0  3.90
assign (resid  25 and name  HB#) (resid  26 and name   HN) 0.00 0  4.08
assign (resid  25 and name  HB#) (resid  29 and name HD2#) 0.00 0  6.54
assign (resid  25 and name  HG#) (resid  29 and name HD2#) 0.00 0  7.17
assign (resid  25 and name  HD#) (resid  28 and name  HB#) 0.00 0  8.68
assign (resid  25 and name  HD#) (resid  28 and name HD1#) 0.00 0  9.00
assign (resid  25 and name  HD#) (resid  28 and name HD2#) 0.00 0  9.00
assign (resid  25 and name  HD#) (resid  28 and name  HD#) 0.00 0  8.51
assign (resid  25 and name  HD#) (resid  29 and name HD2#) 0.00 0  8.07
!26 HIS
assign (resid  26 and name   HN) (resid  26 and name  HB#) 0.00 0  3.00
assign (resid  26 and name   HN) (resid  29 and name  HB#) 0.00 0  6.48
assign (resid  26 and name   HA) (resid  26 and name  HD2) 0.00 0  2.90
assign (resid  26 and name   HA) (resid  29 and name   HN) 0.00 0  5.00
assign (resid  26 and name   HA) (resid  29 and name  HB2) 0.00 0  5.80
assign (resid  26 and name   HA) (resid  29 and name  HB1) 0.00 0  5.80
assign (resid  26 and name   HA) (resid  29 and name  HB#) 0.00 0  5.49
assign (resid  26 and name  HB#) (resid  27 and name  HE#) 0.00 0  9.88
assign (resid  26 and name  HB#) (resid  28 and name   HN) 0.00 0  6.20
assign (resid  26 and name  HB#) (resid  29 and name  HB2) 0.00 0  7.50
assign (resid  26 and name  HB#) (resid  29 and name  HB1) 0.00 0  7.50
assign (resid  26 and name  HB#) (resid  29 and name  HB#) 0.00 0  7.35
assign (resid  26 and name  HB#) (resid  29 and name HD2#) 0.00 0  8.47
assign (resid  26 and name  HB#) (resid  30 and name   HN) 0.00 0  7.10
assign (resid  26 and name  HB#) (resid  30 and name  HB#) 0.00 0  7.88
assign (resid  26 and name  HE1) (resid  30 and name  HB2) 0.00 0  6.40
assign (resid  26 and name  HE1) (resid  30 and name  HB1) 0.00 0  6.40
assign (resid  26 and name  HE1) (resid  30 and name  HB#) 0.00 0  5.68
assign (resid  26 and name  HE1) (resid  30 and name  HD#) 0.00 0  5.60
!27 TYR
assign (resid  27 and name   HN) (resid  27 and name  HE#) 0.00 0  6.70
assign (resid  27 and name   HN) (resid  28 and name   HN) 0.00 0  2.40
assign (resid  27 and name   HN) (resid  28 and name  HB#) 0.00 0  5.88
assign (resid  27 and name   HN) (resid  28 and name  HD#) 0.00 0  7.57
assign (resid  27 and name   HN) (resid  29 and name   HN) 0.00 0  4.80
assign (resid  27 and name   HA) (resid  27 and name  HE#) 0.00 0  5.50
assign (resid  27 and name   HA) (resid  29 and name   HN) 0.00 0  4.30
assign (resid  27 and name   HA) (resid  30 and name   HN) 0.00 0  5.00
assign (resid  27 and name   HA) (resid  30 and name  HB2) 0.00 0  4.80
assign (resid  27 and name   HA) (resid  30 and name  HB1) 0.00 0  4.80
assign (resid  27 and name   HA) (resid  30 and name  HD#) 0.00 0  8.70
assign (resid  27 and name   HA) (resid  31 and name   HN) 0.00 0  3.90
assign (resid  27 and name  HB2) (resid  30 and name   HN) 0.00 0  5.70
assign (resid  27 and name  HB2) (resid  31 and name HD1#) 0.00 0  9.75
assign (resid  27 and name  HB2) (resid  31 and name HD2#) 0.00 0  9.75
assign (resid  27 and name  HB1) (resid  30 and name   HN) 0.00 0  5.70
assign (resid  27 and name  HB1) (resid  31 and name HD1#) 0.00 0  9.75
assign (resid  27 and name  HB1) (resid  31 and name HD2#) 0.00 0  9.75
assign (resid  27 and name  HB#) (resid  28 and name   HN) 0.00 0  3.88
assign (resid  27 and name  HB#) (resid  28 and name  HB#) 0.00 0  7.25
assign (resid  27 and name  HB#) (resid  29 and name   HN) 0.00 0  5.68
assign (resid  27 and name  HB#) (resid  30 and name   HN) 0.00 0  5.43
assign (resid  27 and name  HB#) (resid  31 and name   HN) 0.00 0  6.38
assign (resid  27 and name  HB#) (resid  31 and name  HD#) 0.00 0  8.29
assign (resid  27 and name  HD#) (resid  28 and name   HN) 0.00 0  6.10
assign (resid  27 and name  HD#) (resid  28 and name   HA) 0.00 0  9.00
assign (resid  27 and name  HD#) (resid  28 and name  HB#) 0.00 0  9.88
assign (resid  27 and name  HD#) (resid  28 and name  HD#) 0.00 0 11.47
assign (resid  27 and name  HD#) (resid  29 and name   HN) 0.00 0  8.70
assign (resid  27 and name  HD#) (resid  30 and name   HN) 0.00 0  8.10
assign (resid  27 and name  HD#) (resid  30 and name  HB#) 0.00 0  9.78
assign (resid  27 and name  HD#) (resid  31 and name   HN) 0.00 0  7.90
assign (resid  27 and name  HD#) (resid  31 and name  HB#) 0.00 0  9.88
assign (resid  27 and name  HD#) (resid  31 and name  HD#) 0.00 0 11.57
assign (resid  27 and name  HE#) (resid  28 and name   HN) 0.00 0  8.40
assign (resid  27 and name  HE#) (resid  30 and name  HB#) 0.00 0  9.18
assign (resid  27 and name  HE#) (resid  31 and name   HN) 0.00 0  9.00
assign (resid  27 and name  HE#) (resid  31 and name  HB2) 0.00 0  7.30
assign (resid  27 and name  HE#) (resid  31 and name  HB1) 0.00 0  7.30
assign (resid  27 and name  HE#) (resid  31 and name HD1#) 0.00 0  9.60
assign (resid  27 and name  HE#) (resid  31 and name HD2#) 0.00 0  9.60
assign (resid  27 and name  HE#) (resid  31 and name  HD#) 0.00 0  8.60
!28 LEU
assign (resid  28 and name   HN) (resid  28 and name  HB2) 0.00 0  2.70
assign (resid  28 and name   HN) (resid  28 and name  HB1) 0.00 0  2.70
assign (resid  28 and name   HN) (resid  28 and name  HB#) 0.00 0  2.40
assign (resid  28 and name   HN) (resid  28 and name HD1#) 0.00 0  6.30
assign (resid  28 and name   HN) (resid  28 and name HD2#) 0.00 0  6.30
assign (resid  28 and name   HN) (resid  28 and name  HD#) 0.00 0  4.92
assign (resid  28 and name   HN) (resid  29 and name   HN) 0.00 0  2.40
assign (resid  28 and name   HN) (resid  29 and name   HA) 0.00 0  4.70
assign (resid  28 and name   HN) (resid  29 and name  HB2) 0.00 0  5.10
assign (resid  28 and name   HN) (resid  29 and name  HB1) 0.00 0  5.10
assign (resid  28 and name   HN) (resid  29 and name  HB#) 0.00 0  4.78
assign (resid  28 and name   HN) (resid  30 and name   HN) 0.00 0  4.30
assign (resid  28 and name   HN) (resid  31 and name  HB#) 0.00 0  4.98
assign (resid  28 and name   HN) (resid  32 and name HG2#) 0.00 0  8.00
assign (resid  28 and name  HB2) (resid  29 and name   HN) 0.00 0  3.20
assign (resid  28 and name  HB1) (resid  29 and name   HN) 0.00 0  3.20
assign (resid  28 and name  HB#) (resid  30 and name   HN) 0.00 0  5.48
assign (resid  28 and name HD1#) (resid  29 and name   HN) 0.00 0  7.40
assign (resid  28 and name HD2#) (resid  29 and name   HN) 0.00 0  7.40
assign (resid  28 and name  HD#) (resid  29 and name   HN) 0.00 0  6.08
assign (resid  28 and name  HD#) (resid  30 and name   HN) 0.00 0  8.47
assign (resid  28 and name  HD#) (resid  32 and name   HN) 0.00 0  7.97
!29 ASN
assign (resid  29 and name   HN) (resid  29 and name  HB2) 0.00 0  2.50
assign (resid  29 and name   HN) (resid  29 and name  HB1) 0.00 0  2.50
assign (resid  29 and name   HN) (resid  29 and name HD2#) 0.00 0  5.37
assign (resid  29 and name   HN) (resid  30 and name   HN) 0.00 0  2.40
assign (resid  29 and name   HN) (resid  31 and name   HN) 0.00 0  6.80
assign (resid  29 and name   HN) (resid  32 and name HG2#) 0.00 0  7.10
assign (resid  29 and name   HA) (resid  29 and name HD21) 0.00 0  4.10
assign (resid  29 and name   HA) (resid  29 and name HD22) 0.00 0  4.10
assign (resid  29 and name   HA) (resid  29 and name HD2#) 0.00 0  3.71
assign (resid  29 and name   HA) (resid  31 and name   HN) 0.00 0  3.80
assign (resid  29 and name  HB2) (resid  29 and name HD21) 0.00 0  3.80
assign (resid  29 and name  HB2) (resid  30 and name  HB2) 0.00 0  8.75
assign (resid  29 and name  HB2) (resid  30 and name  HB1) 0.00 0  8.75
assign (resid  29 and name  HB2) (resid  30 and name  HD#) 0.00 0  9.40
assign (resid  29 and name  HB2) (resid  31 and name   HN) 0.00 0  5.20
assign (resid  29 and name  HB2) (resid  32 and name   HN) 0.00 0  5.80
assign (resid  29 and name  HB1) (resid  29 and name HD21) 0.00 0  3.80
assign (resid  29 and name  HB1) (resid  29 and name HD22) 0.00 0  3.80
assign (resid  29 and name  HB1) (resid  30 and name  HB2) 0.00 0  8.75
assign (resid  29 and name  HB1) (resid  30 and name  HB1) 0.00 0  8.75
assign (resid  29 and name  HB1) (resid  30 and name  HD#) 0.00 0  9.40
assign (resid  29 and name  HB1) (resid  31 and name   HN) 0.00 0  5.20
assign (resid  29 and name  HB1) (resid  32 and name   HN) 0.00 0  5.80
assign (resid  29 and name  HB#) (resid  29 and name HD2#) 0.00 0  3.21
assign (resid  29 and name  HB#) (resid  30 and name   HN) 0.00 0  3.88
assign (resid  29 and name  HB#) (resid  30 and name  HB#) 0.00 0  7.83
assign (resid  29 and name  HB#) (resid  33 and name   HN) 0.00 0  6.88
assign (resid  29 and name HD21) (resid  30 and name   HN) 0.00 0  6.10
assign (resid  29 and name HD21) (resid  30 and name  HB2) 0.00 0  6.85
assign (resid  29 and name HD21) (resid  30 and name  HB1) 0.00 0  6.85
assign (resid  29 and name HD21) (resid  30 and name  HD#) 0.00 0  9.40
assign (resid  29 and name HD22) (resid  30 and name   HN) 0.00 0  6.10
assign (resid  29 and name HD22) (resid  30 and name  HB2) 0.00 0  6.85
assign (resid  29 and name HD22) (resid  30 and name  HB1) 0.00 0  6.85
assign (resid  29 and name HD22) (resid  30 and name  HD#) 0.00 0  9.40
assign (resid  29 and name HD2#) (resid  30 and name   HN) 0.00 0  5.70
assign (resid  29 and name HD2#) (resid  30 and name  HB#) 0.00 0  5.81
assign (resid  29 and name HD2#) (resid  33 and name  HD#) 0.00 0  7.57
!30 LEU
assign (resid  30 and name   HN) (resid  30 and name  HB2) 0.00 0  2.40
assign (resid  30 and name   HN) (resid  30 and name  HB1) 0.00 0  2.40
assign (resid  30 and name   HN) (resid  30 and name  HD#) 0.00 0  7.20
assign (resid  30 and name   HN) (resid  31 and name   HN) 0.00 0  2.40
assign (resid  30 and name   HN) (resid  32 and name   HN) 0.00 0  7.00
assign (resid  30 and name   HN) (resid  32 and name HG2#) 0.00 0  7.70
assign (resid  30 and name   HN) (resid  33 and name  HB#) 0.00 0  8.00
assign (resid  30 and name   HA) (resid  33 and name  HB#) 0.00 0  5.70
assign (resid  30 and name   HA) (resid  33 and name  HD#) 0.00 0  7.30
assign (resid  30 and name  HB#) (resid  31 and name   HN) 0.00 0  3.88
assign (resid  30 and name  HB#) (resid  31 and name  HD#) 0.00 0 10.45
assign (resid  30 and name  HB#) (resid  32 and name   HN) 0.00 0  5.78
assign (resid  30 and name  HD#) (resid  31 and name   HN) 0.00 0  7.30
assign (resid  30 and name  HD#) (resid  33 and name   HN) 0.00 0  9.10
assign (resid  30 and name  HD#) (resid  33 and name  HD#) 0.00 0 10.40
assign (resid  30 and name  HD#) (resid  33 and name   HE) 0.00 0  9.40
assign (resid  30 and name  HD#) (resid  34 and name  HB2) 0.00 0  9.40
assign (resid  30 and name  HD#) (resid  34 and name  HB1) 0.00 0  9.40
assign (resid  30 and name  HD#) (resid  34 and name HE21) 0.00 0  8.40
assign (resid  30 and name  HD#) (resid  34 and name HE22) 0.00 0  8.40
assign (resid  30 and name  HD#) (resid  34 and name HE2#) 0.00 0  8.26
assign (resid  30 and name  HD#) (resid  35 and name  HD#) 0.00 0 10.40
!31 LEU
assign (resid  31 and name   HN) (resid  31 and name  HB#) 0.00 0  3.28
assign (resid  31 and name   HN) (resid  31 and name  HD#) 0.00 0  5.57
assign (resid  31 and name   HN) (resid  32 and name   HN) 0.00 0  2.50
assign (resid  31 and name   HN) (resid  32 and name HG2#) 0.00 0  6.00
assign (resid  31 and name   HN) (resid  33 and name   HN) 0.00 0  7.00
assign (resid  31 and name   HN) (resid  34 and name  HG#) 0.00 0  7.10
assign (resid  31 and name   HA) (resid  34 and name   HN) 0.00 0  3.20
assign (resid  31 and name   HA) (resid  34 and name  HB2) 0.00 0  5.70
assign (resid  31 and name   HA) (resid  34 and name  HB1) 0.00 0  5.70
assign (resid  31 and name   HA) (resid  34 and name  HB#) 0.00 0  5.43
assign (resid  31 and name   HA) (resid  34 and name  HG#) 0.00 0  5.00
assign (resid  31 and name   HA) (resid  35 and name   HN) 0.00 0  3.50
assign (resid  31 and name  HB#) (resid  32 and name   HN) 0.00 0  3.98
assign (resid  31 and name  HB#) (resid  33 and name   HN) 0.00 0  6.18
assign (resid  31 and name  HB#) (resid  34 and name   HN) 0.00 0  6.68
assign (resid  31 and name HD1#) (resid  33 and name  HB#) 0.00 0  9.00
assign (resid  31 and name HD1#) (resid  34 and name   HN) 0.00 0  7.20
assign (resid  31 and name HD1#) (resid  34 and name HE21) 0.00 0 10.14
assign (resid  31 and name HD1#) (resid  34 and name HE22) 0.00 0 10.14
assign (resid  31 and name HD2#) (resid  33 and name  HB#) 0.00 0  9.00
assign (resid  31 and name HD2#) (resid  34 and name   HN) 0.00 0  7.20
assign (resid  31 and name HD2#) (resid  34 and name HE21) 0.00 0 10.14
assign (resid  31 and name HD2#) (resid  34 and name HE22) 0.00 0 10.14
assign (resid  31 and name  HD#) (resid  32 and name   HN) 0.00 0  6.97
assign (resid  31 and name  HD#) (resid  33 and name   HN) 0.00 0  9.57
assign (resid  31 and name  HD#) (resid  34 and name   HN) 0.00 0  6.78
assign (resid  31 and name  HD#) (resid  34 and name  HB#) 0.00 0 10.45
assign (resid  31 and name  HD#) (resid  34 and name HE2#) 0.00 0  8.48
!32 THR
assign (resid  32 and name   HN) (resid  32 and name   HB) 0.00 0  2.40
assign (resid  32 and name   HN) (resid  32 and name HG2#) 0.00 0  3.60
assign (resid  32 and name   HN) (resid  33 and name   HN) 0.00 0  2.50
assign (resid  32 and name   HN) (resid  33 and name  HB#) 0.00 0  6.20
assign (resid  32 and name   HN) (resid  34 and name  HB#) 0.00 0  7.20
assign (resid  32 and name   HA) (resid  34 and name   HN) 0.00 0  4.40
assign (resid  32 and name   HA) (resid  36 and name   HN) 0.00 0  7.00
assign (resid  32 and name   HA) (resid  36 and name  HD#) 0.00 0  8.60
assign (resid  32 and name   HB) (resid  33 and name   HN) 0.00 0  5.00
assign (resid  32 and name   HB) (resid  36 and name   HN) 0.00 0  4.90
assign (resid  32 and name   HB) (resid  36 and name  HD#) 0.00 0  8.80
assign (resid  32 and name   HB) (resid  36 and name  HE#) 0.00 0  9.00
assign (resid  32 and name HG2#) (resid  33 and name   HN) 0.00 0  4.50
assign (resid  32 and name HG2#) (resid  34 and name   HN) 0.00 0  6.40
assign (resid  32 and name HG2#) (resid  36 and name   HN) 0.00 0  6.50
assign (resid  32 and name HG2#) (resid  36 and name  HB#) 0.00 0  6.98
assign (resid  32 and name HG2#) (resid  36 and name  HD#) 0.00 0 10.00
assign (resid  32 and name HG2#) (resid  36 and name  HE#) 0.00 0 10.00
!33 ARG
assign (resid  33 and name   HN) (resid  33 and name  HB#) 0.00 0  3.30
assign (resid  33 and name   HN) (resid  33 and name  HG2) 0.00 0  3.40
assign (resid  33 and name   HN) (resid  33 and name  HG1) 0.00 0  3.40
assign (resid  33 and name   HN) (resid  33 and name  HG#) 0.00 0  3.13
assign (resid  33 and name   HN) (resid  33 and name  HD#) 0.00 0  5.80
assign (resid  33 and name   HN) (resid  33 and name   HE) 0.00 0  5.10
assign (resid  33 and name   HN) (resid  34 and name   HN) 0.00 0  2.50
assign (resid  33 and name   HN) (resid  34 and name  HB#) 0.00 0  6.30
assign (resid  33 and name   HN) (resid  34 and name  HG2) 0.00 0  6.80
assign (resid  33 and name   HN) (resid  34 and name  HG1) 0.00 0  6.80
assign (resid  33 and name   HN) (resid  34 and name  HG#) 0.00 0  6.31
assign (resid  33 and name   HN) (resid  35 and name  HB#) 0.00 0  6.48
assign (resid  33 and name   HA) (resid  33 and name  HD#) 0.00 0  6.00
assign (resid  33 and name   HA) (resid  36 and name  HB#) 0.00 0  6.68
assign (resid  33 and name   HA) (resid  36 and name  HD#) 0.00 0  8.20
assign (resid  33 and name   HA) (resid  36 and name  HE#) 0.00 0  9.00
assign (resid  33 and name  HB#) (resid  33 and name   HE) 0.00 0  4.90
assign (resid  33 and name  HB#) (resid  34 and name   HN) 0.00 0  4.40
assign (resid  33 and name  HB#) (resid  35 and name   HN) 0.00 0  8.00
assign (resid  33 and name  HB#) (resid  36 and name   HN) 0.00 0  8.00
assign (resid  33 and name  HG2) (resid  33 and name   HE) 0.00 0  3.50
assign (resid  33 and name  HG1) (resid  33 and name   HE) 0.00 0  3.50
assign (resid  33 and name  HG#) (resid  34 and name   HN) 0.00 0  5.38
assign (resid  33 and name  HD#) (resid  34 and name   HN) 0.00 0  6.90
!34 GLN
assign (resid  34 and name   HN) (resid  34 and name  HB#) 0.00 0  3.00
assign (resid  34 and name   HN) (resid  34 and name  HG2) 0.00 0  3.40
assign (resid  34 and name   HN) (resid  34 and name  HG1) 0.00 0  3.40
assign (resid  34 and name   HN) (resid  35 and name   HN) 0.00 0  2.70
assign (resid  34 and name   HN) (resid  36 and name  HD#) 0.00 0  9.00
assign (resid  34 and name   HA) (resid  34 and name HE21) 0.00 0  5.20
assign (resid  34 and name   HA) (resid  34 and name HE22) 0.00 0  5.20
assign (resid  34 and name   HA) (resid  34 and name HE2#) 0.00 0  4.88
assign (resid  34 and name  HB2) (resid  34 and name HE21) 0.00 0  4.90
assign (resid  34 and name  HB2) (resid  34 and name HE22) 0.00 0  4.90
assign (resid  34 and name  HB1) (resid  34 and name HE21) 0.00 0  4.90
assign (resid  34 and name  HB1) (resid  34 and name HE22) 0.00 0  4.90
assign (resid  34 and name  HB#) (resid  34 and name HE2#) 0.00 0  4.34
assign (resid  34 and name  HB#) (resid  35 and name   HN) 0.00 0  4.20
assign (resid  34 and name  HG2) (resid  35 and name   HN) 0.00 0  5.30
assign (resid  34 and name  HG1) (resid  35 and name   HN) 0.00 0  5.30
assign (resid  34 and name  HG#) (resid  35 and name   HN) 0.00 0  5.13
assign (resid  34 and name  HG#) (resid  35 and name  HB#) 0.00 0  6.68
assign (resid  34 and name  HG#) (resid  35 and name  HD#) 0.00 0  6.90
assign (resid  34 and name  HG#) (resid  35 and name   HE) 0.00 0  8.00
assign (resid  34 and name  HG#) (resid  36 and name   HN) 0.00 0  7.10
assign (resid  34 and name HE2#) (resid  35 and name  HB#) 0.00 0  8.24
!35 ARG
assign (resid  35 and name   HN) (resid  35 and name  HB2) 0.00 0  2.80
assign (resid  35 and name   HN) (resid  35 and name  HB1) 0.00 0  2.80
assign (resid  35 and name   HN) (resid  35 and name  HG#) 0.00 0  5.20
assign (resid  35 and name   HN) (resid  36 and name   HN) 0.00 0  3.20
assign (resid  35 and name   HN) (resid  36 and name   HA) 0.00 0  5.20
assign (resid  35 and name   HN) (resid  36 and name  HB#) 0.00 0  5.88
assign (resid  35 and name   HN) (resid  36 and name  HD#) 0.00 0  8.60
assign (resid  35 and name  HB2) (resid  36 and name   HN) 0.00 0  3.90
assign (resid  35 and name  HB1) (resid  36 and name   HN) 0.00 0  3.90
assign (resid  35 and name  HB#) (resid  35 and name   HE) 0.00 0  6.38
assign (resid  35 and name  HB#) (resid  36 and name   HN) 0.00 0  3.70
assign (resid  35 and name  HB#) (resid  36 and name  HD#) 0.00 0  9.88
assign (resid  35 and name  HB#) (resid  36 and name  HE#) 0.00 0  9.88
assign (resid  35 and name  HG#) (resid  36 and name   HN) 0.00 0  6.90
!36 TYR
assign (resid  36 and name   HN) (resid  36 and name  HB2) 0.00 0  3.30
assign (resid  36 and name   HN) (resid  36 and name  HB1) 0.00 0  3.30
assign (resid  36 and name   HN) (resid  36 and name  HB#) 0.00 0  2.98
assign (resid  36 and name   HN) (resid  36 and name  HE#) 0.00 0  5.60
assign (resid  36 and name   H1) (resid  36 and name   HA) 0.00 0  5.00
assign (resid  36 and name   H1) (resid  35 and name   HA) 0.00 0  5.00
assign (resid  36 and name   H2) (resid  36 and name   HA) 0.00 0  5.00
assign (resid  36 and name   H2) (resid  35 and name   HA) 0.00 0  5.00
assign (resid  36 and name   H2) (resid  36 and name  HB1) 0.00 0  5.00
assign (resid  36 and name   H2) (resid  36 and name  HB2) 0.00 0  5.00
assign (resid  36 and name   H1) (resid  36 and name  HB1) 0.00 0  5.00
assign (resid  36 and name   H1) (resid  36 and name  HB2) 0.00 0  5.00 
assign (resid  36 and name   H1) (resid  36 and name   HN) 0.00 0  5.00
assign (resid  36 and name   H2) (resid  36 and name   HN) 0.00 0  5.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE  23          1HA       ACE  23  -2.864   0.904   0.755
    2   2H    ACE  23          2HA       ACE  23  -1.758  -0.154   1.629
    3   3H    ACE  23          3HA       ACE  23  -3.012  -0.842   0.593
    4    H    LEU  24           H        LEU  24   0.233   0.086   0.688
    5    HA   LEU  24           HA       LEU  24   0.703   0.979  -1.908
    6   1HB   LEU  24          1HB       LEU  24   2.240   1.005   0.125
    7   2HB   LEU  24          2HB       LEU  24   2.488  -0.705  -0.089
    8    HG   LEU  24           HG       LEU  24   3.026   0.655  -2.636
    9   1HD1  LEU  24          1HD1      LEU  24   4.503   1.827  -0.237
   10   2HD1  LEU  24          2HD1      LEU  24   4.903   2.117  -1.920
   11   3HD1  LEU  24          3HD1      LEU  24   3.382   2.694  -1.271
   12   1HD2  LEU  24          1HD2      LEU  24   4.787  -0.758  -0.594
   13   2HD2  LEU  24          2HD2      LEU  24   4.030  -1.461  -2.030
   14   3HD2  LEU  24          3HD2      LEU  24   5.320  -0.289  -2.199
   15    H    ARG  25           H        ARG  25  -0.435  -1.831  -1.004
   16    HA   ARG  25           HA       ARG  25   0.776  -3.666  -2.934
   17   1HB   ARG  25          1HB       ARG  25  -1.865  -3.701  -1.359
   18   2HB   ARG  25          2HB       ARG  25  -1.531  -4.887  -2.593
   19   1HG   ARG  25          1HG       ARG  25  -0.881  -5.845  -0.502
   20   2HG   ARG  25          2HG       ARG  25   0.568  -5.567  -1.436
   21   1HD   ARG  25          1HD       ARG  25  -0.367  -3.337   0.362
   22   2HD   ARG  25          2HD       ARG  25   0.289  -4.785   1.108
   23    HE   ARG  25           HE       ARG  25   1.730  -3.312  -1.052
   24   1HH1  ARG  25          1HH1      ARG  25   1.743  -4.693   2.153
   25   2HH1  ARG  25          2HH1      ARG  25   3.405  -4.437   2.402
   26   1HH2  ARG  25          1HH2      ARG  25   3.953  -2.982  -0.726
   27   2HH2  ARG  25          2HH2      ARG  25   4.689  -3.436   0.753
   28    H    HIS  26           H        HIS  26  -1.975  -1.524  -2.699
   29    HA   HIS  26           HA       HIS  26  -3.289  -1.903  -5.062
   30   1HB   HIS  26          1HB       HIS  26  -3.751  -0.116  -3.257
   31   2HB   HIS  26          2HB       HIS  26  -2.602   0.901  -4.120
   32    HD1  HIS  26           HD1      HIS  26  -3.373   1.801  -6.378
   33    HD2  HIS  26           HD2      HIS  26  -6.009  -0.897  -4.659
   34    HE1  HIS  26           HE1      HIS  26  -5.522   1.831  -7.671
   35    H    TYR  27           H        TYR  27  -0.105  -0.718  -4.626
   36    HA   TYR  27           HA       TYR  27   0.118  -0.176  -7.530
   37   1HB   TYR  27          1HB       TYR  27   0.343   1.893  -6.237
   38   2HB   TYR  27          2HB       TYR  27   1.449   1.122  -5.112
   39    HD1  TYR  27           HD1      TYR  27   1.380   1.218  -8.856
   40    HD2  TYR  27           HD2      TYR  27   3.518   2.197  -5.302
   41    HE1  TYR  27           HE1      TYR  27   3.263   1.990 -10.210
   42    HE2  TYR  27           HE2      TYR  27   5.409   2.978  -6.673
   43    HH   TYR  27           HH       TYR  27   5.708   2.279  -9.935
   44    H    LEU  28           H        LEU  28   1.562  -1.968  -4.942
   45    HA   LEU  28           HA       LEU  28   3.867  -2.703  -6.623
   46   1HB   LEU  28          1HB       LEU  28   3.690  -2.315  -4.000
   47   2HB   LEU  28          2HB       LEU  28   3.156  -3.961  -3.990
   48    HG   LEU  28           HG       LEU  28   5.201  -4.620  -5.399
   49   1HD1  LEU  28          1HD1      LEU  28   5.822  -1.711  -4.899
   50   2HD1  LEU  28          2HD1      LEU  28   7.158  -2.846  -4.927
   51   3HD1  LEU  28          3HD1      LEU  28   6.117  -2.692  -6.324
   52   1HD2  LEU  28          1HD2      LEU  28   5.060  -5.027  -2.919
   53   2HD2  LEU  28          2HD2      LEU  28   6.704  -4.767  -3.466
   54   3HD2  LEU  28          3HD2      LEU  28   5.849  -3.476  -2.645
   55    H    ASN  29           H        ASN  29   1.020  -3.797  -5.222
   56    HA   ASN  29           HA       ASN  29   1.216  -6.548  -6.193
   57   1HB   ASN  29          1HB       ASN  29   0.065  -5.850  -4.086
   58   2HB   ASN  29          2HB       ASN  29  -1.179  -5.097  -5.074
   59   1HD2  ASN  29          2HD2      ASN  29  -2.412  -6.378  -6.472
   60   2HD2  ASN  29          1HD2      ASN  29  -2.579  -8.058  -6.207
   61    H    LEU  30           H        LEU  30  -0.510  -3.568  -7.056
   62    HA   LEU  30           HA       LEU  30  -1.941  -4.770  -9.246
   63   1HB   LEU  30          1HB       LEU  30  -2.407  -2.580  -8.181
   64   2HB   LEU  30          2HB       LEU  30  -0.919  -1.934  -8.806
   65    HG   LEU  30           HG       LEU  30  -2.972  -3.108 -10.736
   66   1HD1  LEU  30          1HD1      LEU  30  -3.143  -0.422  -9.304
   67   2HD1  LEU  30          2HD1      LEU  30  -3.948  -0.710 -10.839
   68   3HD1  LEU  30          3HD1      LEU  30  -4.381  -1.658  -9.432
   69   1HD2  LEU  30          1HD2      LEU  30  -0.633  -1.217 -10.874
   70   2HD2  LEU  30          2HD2      LEU  30  -1.168  -2.425 -12.026
   71   3HD2  LEU  30          3HD2      LEU  30  -1.974  -0.873 -11.949
   72    H    LEU  31           H        LEU  31   1.259  -3.637  -8.661
   73    HA   LEU  31           HA       LEU  31   2.178  -3.596 -11.401
   74   1HB   LEU  31          1HB       LEU  31   3.296  -2.900  -8.856
   75   2HB   LEU  31          2HB       LEU  31   4.291  -4.195  -9.405
   76    HG   LEU  31           HG       LEU  31   5.233  -2.056 -10.135
   77   1HD1  LEU  31          1HD1      LEU  31   5.253  -4.119 -11.717
   78   2HD1  LEU  31          2HD1      LEU  31   4.053  -3.263 -12.667
   79   3HD1  LEU  31          3HD1      LEU  31   5.633  -2.558 -12.413
   80   1HD2  LEU  31          1HD2      LEU  31   3.058  -0.784 -10.146
   81   2HD2  LEU  31          2HD2      LEU  31   4.057  -0.490 -11.559
   82   3HD2  LEU  31          3HD2      LEU  31   2.655  -1.526 -11.685
   83    H    THR  32           H        THR  32   1.861  -6.051  -8.979
   84    HA   THR  32           HA       THR  32   3.510  -7.905 -10.580
   85    HB   THR  32           HB       THR  32   3.027  -7.855  -7.945
   86    HG1  THR  32           HG1      THR  32   3.110 -10.443  -8.746
   87   1HG2  THR  32          1HG2      THR  32   0.513  -8.474  -8.140
   88   2HG2  THR  32          2HG2      THR  32   1.001  -9.981  -8.877
   89   3HG2  THR  32          3HG2      THR  32   1.456  -9.602  -7.216
   90    H    ARG  33           H        ARG  33   0.137  -7.129  -9.963
   91    HA   ARG  33           HA       ARG  33  -1.020  -9.208 -11.549
   92   1HB   ARG  33          1HB       ARG  33  -1.990  -6.444 -10.688
   93   2HB   ARG  33          2HB       ARG  33  -2.992  -7.470 -11.679
   94   1HG   ARG  33          1HG       ARG  33  -1.835  -8.689  -9.174
   95   2HG   ARG  33          2HG       ARG  33  -3.099  -7.499  -8.950
   96   1HD   ARG  33          1HD       ARG  33  -4.558  -8.804 -10.554
   97   2HD   ARG  33          2HD       ARG  33  -3.314 -10.045 -10.670
   98    HE   ARG  33           HE       ARG  33  -3.544 -10.167  -8.108
   99   1HH1  ARG  33          1HH1      ARG  33  -6.210  -9.510 -10.251
  100   2HH1  ARG  33          2HH1      ARG  33  -7.399 -10.115  -9.196
  101   1HH2  ARG  33          1HH2      ARG  33  -5.102 -11.014  -6.713
  102   2HH2  ARG  33          2HH2      ARG  33  -6.759 -11.032  -7.147
  103    H    GLN  34           H        GLN  34   0.509  -6.206 -12.310
  104    HA   GLN  34           HA       GLN  34  -0.423  -6.409 -15.148
  105   1HB   GLN  34          1HB       GLN  34  -0.079  -4.157 -15.312
  106   2HB   GLN  34          2HB       GLN  34  -0.569  -4.324 -13.642
  107   1HG   GLN  34          1HG       GLN  34   1.273  -3.017 -13.223
  108   2HG   GLN  34          2HG       GLN  34   2.164  -4.521 -13.324
  109   1HE2  GLN  34          2HE2      GLN  34   0.791  -2.155 -15.657
  110   2HE2  GLN  34          1HE2      GLN  34   2.192  -2.120 -16.615
  111    H    ARG  35           H        ARG  35   2.532  -6.561 -13.254
  112    HA   ARG  35           HA       ARG  35   4.058  -6.930 -15.783
  113   1HB   ARG  35          1HB       ARG  35   4.683  -5.272 -13.797
  114   2HB   ARG  35          2HB       ARG  35   5.307  -6.700 -13.016
  115   1HG   ARG  35          1HG       ARG  35   7.214  -5.891 -14.126
  116   2HG   ARG  35          2HG       ARG  35   6.622  -7.108 -15.234
  117   1HD   ARG  35          1HD       ARG  35   5.376  -5.210 -16.488
  118   2HD   ARG  35          2HD       ARG  35   6.202  -4.089 -15.430
  119    HE   ARG  35           HE       ARG  35   7.685  -6.101 -17.101
  120   1HH1  ARG  35          1HH1      ARG  35   7.262  -2.806 -16.144
  121   2HH1  ARG  35          2HH1      ARG  35   8.646  -2.224 -16.963
  122   1HH2  ARG  35          1HH2      ARG  35   9.483  -5.421 -18.180
  123   2HH2  ARG  35          2HH2      ARG  35   9.952  -3.775 -18.172
  124    H    TYR  36           H        TYR  36   3.296  -8.783 -12.794
  125    HA   TYR  36           HA       TYR  36   4.987 -10.971 -13.783
  126   1HB   TYR  36          1HB       TYR  36   3.417 -10.294 -11.265
  127   2HB   TYR  36          2HB       TYR  36   3.944 -11.903 -11.584
  128    HD1  TYR  36           HD1      TYR  36   5.300  -8.415 -11.691
  129    HD2  TYR  36           HD2      TYR  36   6.087 -12.475 -10.707
  130    HE1  TYR  36           HE1      TYR  36   7.496  -7.776 -10.845
  131    HE2  TYR  36           HE2      TYR  36   8.284 -11.839  -9.858
  132    HH   TYR  36           HH       TYR  36   9.677 -10.127  -9.380
  133   1HN   NH2  37          1HN       NH2  37   3.215 -10.413 -15.607
  134   2HN   NH2  37          2HN       NH2  37   1.887 -11.473 -15.628
  Start of MODEL    2
    1   1H    ACE  23          1HA       ACE  23  -2.994  -0.344   0.469
    2   2H    ACE  23          2HA       ACE  23  -3.641   0.780  -0.727
    3   3H    ACE  23          3HA       ACE  23  -2.570   1.370   0.540
    4    H    LEU  24           H        LEU  24  -0.362   0.167   0.542
    5    HA   LEU  24           HA       LEU  24   0.920   0.687  -1.899
    6   1HB   LEU  24          1HB       LEU  24   1.999   0.645   0.409
    7   2HB   LEU  24          2HB       LEU  24   1.805  -1.089   0.450
    8    HG   LEU  24           HG       LEU  24   3.375  -1.255  -1.552
    9   1HD1  LEU  24          1HD1      LEU  24   3.378   1.767  -1.191
   10   2HD1  LEU  24          2HD1      LEU  24   4.732   0.940  -1.938
   11   3HD1  LEU  24          3HD1      LEU  24   3.143   0.847  -2.666
   12   1HD2  LEU  24          1HD2      LEU  24   4.190  -1.375   0.851
   13   2HD2  LEU  24          2HD2      LEU  24   5.397  -0.745  -0.260
   14   3HD2  LEU  24          3HD2      LEU  24   4.500   0.346   0.779
   15    H    ARG  25           H        ARG  25  -0.876  -1.822  -1.105
   16    HA   ARG  25           HA       ARG  25   0.463  -3.865  -2.779
   17   1HB   ARG  25          1HB       ARG  25  -2.331  -3.692  -1.527
   18   2HB   ARG  25          2HB       ARG  25  -1.959  -4.899  -2.731
   19   1HG   ARG  25          1HG       ARG  25  -1.618  -5.858  -0.532
   20   2HG   ARG  25          2HG       ARG  25  -0.102  -5.800  -1.398
   21   1HD   ARG  25          1HD       ARG  25  -0.829  -3.436   0.325
   22   2HD   ARG  25          2HD       ARG  25  -0.361  -4.919   1.127
   23    HE   ARG  25           HE       ARG  25   1.290  -3.553  -0.968
   24   1HH1  ARG  25          1HH1      ARG  25   1.121  -5.253   2.081
   25   2HH1  ARG  25          2HH1      ARG  25   2.803  -5.227   2.330
   26   1HH2  ARG  25          1HH2      ARG  25   3.518  -3.520  -0.646
   27   2HH2  ARG  25          2HH2      ARG  25   4.191  -4.234   0.758
   28    H    HIS  26           H        HIS  26  -2.062  -1.458  -3.003
   29    HA   HIS  26           HA       HIS  26  -2.983  -1.981  -5.584
   30   1HB   HIS  26          1HB       HIS  26  -3.772  -0.177  -3.836
   31   2HB   HIS  26          2HB       HIS  26  -2.646   0.883  -4.682
   32    HD1  HIS  26           HD1      HIS  26  -3.284   1.473  -7.134
   33    HD2  HIS  26           HD2      HIS  26  -5.815  -1.269  -5.317
   34    HE1  HIS  26           HE1      HIS  26  -5.288   1.141  -8.580
   35    H    TYR  27           H        TYR  27   0.115  -1.012  -4.650
   36    HA   TYR  27           HA       TYR  27   0.739  -0.288  -7.468
   37   1HB   TYR  27          1HB       TYR  27   0.758   1.666  -5.970
   38   2HB   TYR  27          2HB       TYR  27   1.926   0.833  -4.924
   39    HD1  TYR  27           HD1      TYR  27   1.410   2.086  -8.388
   40    HD2  TYR  27           HD2      TYR  27   4.259   0.946  -5.433
   41    HE1  TYR  27           HE1      TYR  27   3.216   2.853  -9.839
   42    HE2  TYR  27           HE2      TYR  27   6.073   1.719  -6.893
   43    HH   TYR  27           HH       TYR  27   5.774   2.161 -10.054
   44    H    LEU  28           H        LEU  28   1.727  -2.100  -4.708
   45    HA   LEU  28           HA       LEU  28   4.261  -2.878  -5.991
   46   1HB   LEU  28          1HB       LEU  28   3.546  -2.502  -3.419
   47   2HB   LEU  28          2HB       LEU  28   3.101  -4.166  -3.547
   48    HG   LEU  28           HG       LEU  28   5.528  -4.500  -4.607
   49   1HD1  LEU  28          1HD1      LEU  28   5.931  -1.970  -4.675
   50   2HD1  LEU  28          2HD1      LEU  28   6.000  -1.986  -2.923
   51   3HD1  LEU  28          3HD1      LEU  28   7.189  -2.873  -3.860
   52   1HD2  LEU  28          1HD2      LEU  28   4.683  -5.330  -2.313
   53   2HD2  LEU  28          2HD2      LEU  28   6.409  -5.090  -2.473
   54   3HD2  LEU  28          3HD2      LEU  28   5.451  -3.895  -1.632
   55    H    ASN  29           H        ASN  29   1.118  -3.936  -5.097
   56    HA   ASN  29           HA       ASN  29   1.537  -6.582  -6.297
   57   1HB   ASN  29          1HB       ASN  29   0.401  -6.234  -4.174
   58   2HB   ASN  29          2HB       ASN  29  -0.917  -5.442  -5.007
   59   1HD2  ASN  29          2HD2      ASN  29  -2.108  -6.489  -6.528
   60   2HD2  ASN  29          1HD2      ASN  29  -2.211  -8.187  -6.649
   61    H    LEU  30           H        LEU  30  -0.535  -3.721  -6.876
   62    HA   LEU  30           HA       LEU  30  -1.964  -4.856  -9.070
   63   1HB   LEU  30          1HB       LEU  30  -2.429  -2.682  -7.981
   64   2HB   LEU  30          2HB       LEU  30  -0.931  -2.067  -8.613
   65    HG   LEU  30           HG       LEU  30  -3.004  -3.093 -10.585
   66   1HD1  LEU  30          1HD1      LEU  30  -3.013  -0.359  -9.224
   67   2HD1  LEU  30          2HD1      LEU  30  -3.984  -0.770 -10.630
   68   3HD1  LEU  30          3HD1      LEU  30  -4.274  -1.566  -9.096
   69   1HD2  LEU  30          1HD2      LEU  30  -0.545  -1.368 -10.647
   70   2HD2  LEU  30          2HD2      LEU  30  -1.232  -2.381 -11.898
   71   3HD2  LEU  30          3HD2      LEU  30  -1.874  -0.779 -11.623
   72    H    LEU  31           H        LEU  31   1.122  -3.624  -8.666
   73    HA   LEU  31           HA       LEU  31   1.906  -3.497 -11.475
   74   1HB   LEU  31          1HB       LEU  31   2.845  -2.191  -9.471
   75   2HB   LEU  31          2HB       LEU  31   3.714  -3.628  -8.987
   76    HG   LEU  31           HG       LEU  31   5.019  -1.882 -10.264
   77   1HD1  LEU  31          1HD1      LEU  31   5.608  -4.378 -10.216
   78   2HD1  LEU  31          2HD1      LEU  31   4.938  -4.481 -11.833
   79   3HD1  LEU  31          3HD1      LEU  31   6.311  -3.438 -11.514
   80   1HD2  LEU  31          1HD2      LEU  31   3.017  -1.392 -11.850
   81   2HD2  LEU  31          2HD2      LEU  31   4.622  -1.377 -12.536
   82   3HD2  LEU  31          3HD2      LEU  31   3.583  -2.764 -12.792
   83    H    THR  32           H        THR  32   2.260  -5.871  -8.880
   84    HA   THR  32           HA       THR  32   3.843  -7.573 -10.650
   85    HB   THR  32           HB       THR  32   3.532  -7.498  -7.940
   86    HG1  THR  32           HG1      THR  32   4.153 -10.005  -8.763
   87   1HG2  THR  32          1HG2      THR  32   1.201  -8.594  -8.114
   88   2HG2  THR  32          2HG2      THR  32   1.977 -10.008  -8.811
   89   3HG2  THR  32          3HG2      THR  32   2.356  -9.506  -7.163
   90    H    ARG  33           H        ARG  33   0.388  -7.049 -10.045
   91    HA   ARG  33           HA       ARG  33  -0.324  -9.502 -11.507
   92   1HB   ARG  33          1HB       ARG  33  -2.146  -7.137 -10.926
   93   2HB   ARG  33          2HB       ARG  33  -2.616  -8.792 -11.234
   94   1HG   ARG  33          1HG       ARG  33  -0.954  -7.925  -8.843
   95   2HG   ARG  33          2HG       ARG  33  -2.669  -8.056  -8.792
   96   1HD   ARG  33          1HD       ARG  33  -2.389 -10.534  -9.321
   97   2HD   ARG  33          2HD       ARG  33  -0.665 -10.286  -9.429
   98    HE   ARG  33           HE       ARG  33  -0.585  -9.600  -7.078
   99   1HH1  ARG  33          1HH1      ARG  33  -3.489 -11.200  -8.100
  100   2HH1  ARG  33          2HH1      ARG  33  -3.940 -11.683  -6.525
  101   1HH2  ARG  33          1HH2      ARG  33  -1.110 -10.192  -5.045
  102   2HH2  ARG  33          2HH2      ARG  33  -2.531 -11.104  -4.737
  103    H    GLN  34           H        GLN  34   0.204  -6.098 -12.266
  104    HA   GLN  34           HA       GLN  34  -0.899  -6.560 -14.980
  105   1HB   GLN  34          1HB       GLN  34  -0.759  -4.213 -15.256
  106   2HB   GLN  34          2HB       GLN  34  -1.122  -4.382 -13.559
  107   1HG   GLN  34          1HG       GLN  34   0.623  -2.939 -13.256
  108   2HG   GLN  34          2HG       GLN  34   1.642  -4.348 -13.432
  109   1HE2  GLN  34          2HE2      GLN  34   1.106  -4.570 -16.420
  110   2HE2  GLN  34          1HE2      GLN  34   1.959  -3.260 -17.074
  111    H    ARG  35           H        ARG  35   2.077  -6.551 -13.264
  112    HA   ARG  35           HA       ARG  35   3.587  -6.688 -15.836
  113   1HB   ARG  35          1HB       ARG  35   4.373  -5.130 -13.913
  114   2HB   ARG  35          2HB       ARG  35   4.742  -6.577 -12.997
  115   1HG   ARG  35          1HG       ARG  35   6.705  -6.906 -14.065
  116   2HG   ARG  35          2HG       ARG  35   5.937  -6.847 -15.628
  117   1HD   ARG  35          1HD       ARG  35   5.934  -4.267 -15.344
  118   2HD   ARG  35          2HD       ARG  35   7.068  -4.491 -14.043
  119    HE   ARG  35           HE       ARG  35   7.407  -5.285 -16.901
  120   1HH1  ARG  35          1HH1      ARG  35   8.810  -4.811 -13.788
  121   2HH1  ARG  35          2HH1      ARG  35  10.435  -4.892 -14.323
  122   1HH2  ARG  35          1HH2      ARG  35   9.503  -5.427 -17.681
  123   2HH2  ARG  35          2HH2      ARG  35  10.833  -5.270 -16.620
  124    H    TYR  36           H        TYR  36   3.428  -8.588 -12.746
  125    HA   TYR  36           HA       TYR  36   4.668 -10.815 -14.227
  126   1HB   TYR  36          1HB       TYR  36   4.094 -10.047 -11.339
  127   2HB   TYR  36          2HB       TYR  36   4.134 -11.731 -11.737
  128    HD1  TYR  36           HD1      TYR  36   6.045  -8.572 -12.229
  129    HD2  TYR  36           HD2      TYR  36   6.281 -12.790 -11.752
  130    HE1  TYR  36           HE1      TYR  36   8.491  -8.425 -12.149
  131    HE2  TYR  36           HE2      TYR  36   8.725 -12.646 -11.672
  132    HH   TYR  36           HH       TYR  36  10.454 -11.018 -11.189
  133   1HN   NH2  37          1HN       NH2  37   2.530 -10.158 -15.483
  134   2HN   NH2  37          2HN       NH2  37   1.155 -11.064 -15.105
  Start of MODEL    3
    1   1H    ACE  23          1HA       ACE  23  -1.684   1.487   1.352
    2   2H    ACE  23          2HA       ACE  23  -1.839  -0.273   1.437
    3   3H    ACE  23          3HA       ACE  23  -2.981   0.672   0.482
    4    H    LEU  24           H        LEU  24   0.548   0.042   0.690
    5    HA   LEU  24           HA       LEU  24   1.034   0.877  -1.976
    6   1HB   LEU  24          1HB       LEU  24   2.686   0.763  -0.008
    7   2HB   LEU  24          2HB       LEU  24   2.677  -0.972  -0.190
    8    HG   LEU  24           HG       LEU  24   3.492  -0.515  -2.661
    9   1HD1  LEU  24          1HD1      LEU  24   4.075   2.217  -1.404
   10   2HD1  LEU  24          2HD1      LEU  24   4.589   1.676  -2.991
   11   3HD1  LEU  24          3HD1      LEU  24   2.892   1.935  -2.669
   12   1HD2  LEU  24          1HD2      LEU  24   4.963  -1.361  -0.834
   13   2HD2  LEU  24          2HD2      LEU  24   5.818  -0.263  -1.898
   14   3HD2  LEU  24          3HD2      LEU  24   5.268   0.291  -0.327
   15    H    ARG  25           H        ARG  25  -0.577  -1.655  -0.966
   16    HA   ARG  25           HA       ARG  25   0.398  -3.670  -2.873
   17   1HB   ARG  25          1HB       ARG  25  -1.889  -3.442  -0.913
   18   2HB   ARG  25          2HB       ARG  25  -2.233  -4.402  -2.336
   19   1HG   ARG  25          1HG       ARG  25  -1.236  -5.760  -0.452
   20   2HG   ARG  25          2HG       ARG  25  -0.354  -5.866  -1.949
   21   1HD   ARG  25          1HD       ARG  25   1.347  -5.530  -0.304
   22   2HD   ARG  25          2HD       ARG  25   1.166  -3.934  -1.019
   23    HE   ARG  25           HE       ARG  25  -0.647  -4.272   1.182
   24   1HH1  ARG  25          1HH1      ARG  25   2.628  -3.669   0.348
   25   2HH1  ARG  25          2HH1      ARG  25   3.023  -2.787   1.763
   26   1HH2  ARG  25          1HH2      ARG  25  -0.237  -3.134   3.089
   27   2HH2  ARG  25          2HH2      ARG  25   1.307  -2.469   3.374
   28    H    HIS  26           H        HIS  26  -1.767  -1.004  -2.805
   29    HA   HIS  26           HA       HIS  26  -3.182  -1.581  -5.186
   30   1HB   HIS  26          1HB       HIS  26  -3.856   0.229  -3.701
   31   2HB   HIS  26          2HB       HIS  26  -2.328   1.070  -3.949
   32    HD1  HIS  26           HD1      HIS  26  -2.273   2.618  -5.935
   33    HD2  HIS  26           HD2      HIS  26  -5.483  -0.014  -6.040
   34    HE1  HIS  26           HE1      HIS  26  -3.775   3.248  -7.835
   35    H    TYR  27           H        TYR  27   0.081  -0.827  -4.572
   36    HA   TYR  27           HA       TYR  27   0.595  -0.440  -7.492
   37   1HB   TYR  27          1HB       TYR  27   1.047   1.610  -6.316
   38   2HB   TYR  27          2HB       TYR  27   1.988   0.748  -5.084
   39    HD1  TYR  27           HD1      TYR  27   1.848   1.301  -8.766
   40    HD2  TYR  27           HD2      TYR  27   4.363   0.584  -5.409
   41    HE1  TYR  27           HE1      TYR  27   3.820   1.481 -10.211
   42    HE2  TYR  27           HE2      TYR  27   6.339   0.765  -6.862
   43    HH   TYR  27           HH       TYR  27   6.882   1.905  -9.161
   44    H    LEU  28           H        LEU  28   1.314  -2.405  -4.750
   45    HA   LEU  28           HA       LEU  28   3.781  -3.444  -5.984
   46   1HB   LEU  28          1HB       LEU  28   3.043  -3.128  -3.415
   47   2HB   LEU  28          2HB       LEU  28   2.365  -4.694  -3.661
   48    HG   LEU  28           HG       LEU  28   4.729  -5.341  -4.711
   49   1HD1  LEU  28          1HD1      LEU  28   5.423  -2.868  -3.047
   50   2HD1  LEU  28          2HD1      LEU  28   6.603  -4.042  -3.603
   51   3HD1  LEU  28          3HD1      LEU  28   5.697  -3.099  -4.766
   52   1HD2  LEU  28          1HD2      LEU  28   3.757  -6.217  -2.526
   53   2HD2  LEU  28          2HD2      LEU  28   5.504  -6.137  -2.563
   54   3HD2  LEU  28          3HD2      LEU  28   4.597  -4.915  -1.691
   55    H    ASN  29           H        ASN  29   0.508  -4.131  -5.251
   56    HA   ASN  29           HA       ASN  29   0.615  -6.759  -6.534
   57   1HB   ASN  29          1HB       ASN  29  -0.619  -6.241  -4.450
   58   2HB   ASN  29          2HB       ASN  29  -1.748  -5.286  -5.393
   59   1HD2  ASN  29          2HD2      ASN  29  -2.930  -6.384  -7.102
   60   2HD2  ASN  29          1HD2      ASN  29  -3.195  -8.065  -7.000
   61    H    LEU  30           H        LEU  30  -0.868  -3.565  -7.155
   62    HA   LEU  30           HA       LEU  30  -2.298  -4.435  -9.499
   63   1HB   LEU  30          1HB       LEU  30  -2.633  -2.313  -8.235
   64   2HB   LEU  30          2HB       LEU  30  -1.072  -1.786  -8.790
   65    HG   LEU  30           HG       LEU  30  -3.108  -2.519 -10.917
   66   1HD1  LEU  30          1HD1      LEU  30  -3.144   0.011  -9.205
   67   2HD1  LEU  30          2HD1      LEU  30  -3.948  -0.098 -10.760
   68   3HD1  LEU  30          3HD1      LEU  30  -4.465  -1.120  -9.439
   69   1HD2  LEU  30          1HD2      LEU  30  -0.710  -0.676 -10.636
   70   2HD2  LEU  30          2HD2      LEU  30  -1.090  -1.801 -11.927
   71   3HD2  LEU  30          3HD2      LEU  30  -1.934  -0.275 -11.822
   72    H    LEU  31           H        LEU  31   0.923  -3.705  -8.773
   73    HA   LEU  31           HA       LEU  31   1.728  -3.588 -11.619
   74   1HB   LEU  31          1HB       LEU  31   2.674  -2.046  -9.736
   75   2HB   LEU  31          2HB       LEU  31   3.450  -3.455  -9.073
   76    HG   LEU  31           HG       LEU  31   4.851  -1.858 -10.526
   77   1HD1  LEU  31          1HD1      LEU  31   5.514  -4.183  -9.815
   78   2HD1  LEU  31          2HD1      LEU  31   4.905  -4.795 -11.338
   79   3HD1  LEU  31          3HD1      LEU  31   6.242  -3.667 -11.318
   80   1HD2  LEU  31          1HD2      LEU  31   3.117  -1.698 -12.376
   81   2HD2  LEU  31          2HD2      LEU  31   4.736  -2.065 -12.928
   82   3HD2  LEU  31          3HD2      LEU  31   3.526  -3.335 -12.838
   83    H    THR  32           H        THR  32   2.198  -5.859  -8.843
   84    HA   THR  32           HA       THR  32   3.834  -7.460 -10.650
   85    HB   THR  32           HB       THR  32   3.620  -7.425  -7.976
   86    HG1  THR  32           HG1      THR  32   5.095  -8.869  -8.344
   87   1HG2  THR  32          1HG2      THR  32   1.240  -8.679  -8.206
   88   2HG2  THR  32          2HG2      THR  32   2.233 -10.067  -8.635
   89   3HG2  THR  32          3HG2      THR  32   2.412  -9.303  -7.064
   90    H    ARG  33           H        ARG  33   0.369  -7.111 -10.054
   91    HA   ARG  33           HA       ARG  33  -0.179  -9.645 -11.413
   92   1HB   ARG  33          1HB       ARG  33  -2.396  -9.259 -10.825
   93   2HB   ARG  33          2HB       ARG  33  -1.539  -8.428  -9.550
   94   1HG   ARG  33          1HG       ARG  33  -2.929  -6.717 -10.006
   95   2HG   ARG  33          2HG       ARG  33  -1.790  -6.341 -11.277
   96   1HD   ARG  33          1HD       ARG  33  -3.205  -7.222 -12.986
   97   2HD   ARG  33          2HD       ARG  33  -4.023  -8.305 -11.869
   98    HE   ARG  33           HE       ARG  33  -4.236  -5.361 -11.608
   99   1HH1  ARG  33          1HH1      ARG  33  -5.846  -8.414 -12.092
  100   2HH1  ARG  33          2HH1      ARG  33  -7.426  -7.803 -11.860
  101   1HH2  ARG  33          1HH2      ARG  33  -6.269  -4.518 -11.340
  102   2HH2  ARG  33          2HH2      ARG  33  -7.684  -5.489 -11.411
  103    H    GLN  34           H        GLN  34   0.644  -6.519 -12.447
  104    HA   GLN  34           HA       GLN  34  -0.574  -7.050 -15.120
  105   1HB   GLN  34          1HB       GLN  34  -0.904  -4.755 -15.302
  106   2HB   GLN  34          2HB       GLN  34  -1.059  -4.955 -13.575
  107   1HG   GLN  34          1HG       GLN  34   0.428  -3.259 -13.451
  108   2HG   GLN  34          2HG       GLN  34   1.651  -4.476 -13.704
  109   1HE2  GLN  34          2HE2      GLN  34   0.932  -4.890 -16.608
  110   2HE2  GLN  34          1HE2      GLN  34   1.459  -3.469 -17.375
  111    H    ARG  35           H        ARG  35   2.280  -6.679 -13.291
  112    HA   ARG  35           HA       ARG  35   3.987  -6.503 -15.715
  113   1HB   ARG  35          1HB       ARG  35   4.274  -5.125 -13.435
  114   2HB   ARG  35          2HB       ARG  35   5.040  -6.585 -12.859
  115   1HG   ARG  35          1HG       ARG  35   6.889  -5.483 -13.687
  116   2HG   ARG  35          2HG       ARG  35   6.418  -6.363 -15.122
  117   1HD   ARG  35          1HD       ARG  35   5.104  -4.352 -15.894
  118   2HD   ARG  35          2HD       ARG  35   5.623  -3.472 -14.475
  119    HE   ARG  35           HE       ARG  35   7.452  -4.632 -16.544
  120   1HH1  ARG  35          1HH1      ARG  35   6.768  -2.114 -14.265
  121   2HH1  ARG  35          2HH1      ARG  35   8.190  -1.230 -14.592
  122   1HH2  ARG  35          1HH2      ARG  35   9.301  -3.510 -17.025
  123   2HH2  ARG  35          2HH2      ARG  35   9.683  -2.052 -16.232
  124    H    TYR  36           H        TYR  36   3.620  -8.653 -12.772
  125    HA   TYR  36           HA       TYR  36   5.286 -10.616 -14.208
  126   1HB   TYR  36          1HB       TYR  36   4.222 -10.161 -11.392
  127   2HB   TYR  36          2HB       TYR  36   4.526 -11.794 -11.897
  128    HD1  TYR  36           HD1      TYR  36   6.901 -12.437 -12.591
  129    HD2  TYR  36           HD2      TYR  36   5.971  -8.572 -11.085
  130    HE1  TYR  36           HE1      TYR  36   9.284 -11.997 -12.246
  131    HE2  TYR  36           HE2      TYR  36   8.355  -8.126 -10.744
  132    HH   TYR  36           HH       TYR  36  10.711 -10.503 -10.837
  133   1HN   NH2  37          1HN       NH2  37   3.181  -9.938 -15.639
  134   2HN   NH2  37          2HN       NH2  37   1.931 -11.088 -15.579
  Start of MODEL    4
    1   1H    ACE  23          1HA       ACE  23  -2.764   1.526  -0.054
    2   2H    ACE  23          2HA       ACE  23  -1.577   1.278   1.223
    3   3H    ACE  23          3HA       ACE  23  -2.544  -0.082   0.634
    4    H    LEU  24           H        LEU  24   0.453   0.394   0.651
    5    HA   LEU  24           HA       LEU  24   1.397   0.882  -1.912
    6   1HB   LEU  24          1HB       LEU  24   2.853   0.687   0.104
    7   2HB   LEU  24          2HB       LEU  24   2.419  -0.997   0.286
    8    HG   LEU  24           HG       LEU  24   3.630  -1.548  -1.827
    9   1HD1  LEU  24          1HD1      LEU  24   3.903   1.466  -1.975
   10   2HD1  LEU  24          2HD1      LEU  24   5.090   0.432  -2.744
   11   3HD1  LEU  24          3HD1      LEU  24   3.410   0.343  -3.227
   12   1HD2  LEU  24          1HD2      LEU  24   4.810  -1.271   0.503
   13   2HD2  LEU  24          2HD2      LEU  24   5.845  -1.265  -0.920
   14   3HD2  LEU  24          3HD2      LEU  24   5.410   0.242  -0.138
   15    H    ARG  25           H        ARG  25  -0.287  -1.625  -0.855
   16    HA   ARG  25           HA       ARG  25   0.519  -3.672  -2.777
   17   1HB   ARG  25          1HB       ARG  25  -2.008  -3.293  -1.069
   18   2HB   ARG  25          2HB       ARG  25  -1.894  -4.548  -2.277
   19   1HG   ARG  25          1HG       ARG  25  -1.274  -5.518  -0.187
   20   2HG   ARG  25          2HG       ARG  25   0.146  -5.476  -1.201
   21   1HD   ARG  25          1HD       ARG  25  -0.373  -3.095   0.579
   22   2HD   ARG  25          2HD       ARG  25   0.116  -4.608   1.327
   23    HE   ARG  25           HE       ARG  25   1.631  -3.408  -0.946
   24   1HH1  ARG  25          1HH1      ARG  25   1.619  -4.643   2.315
   25   2HH1  ARG  25          2HH1      ARG  25   3.311  -4.616   2.482
   26   1HH2  ARG  25          1HH2      ARG  25   3.903  -3.387  -0.737
   27   2HH2  ARG  25          2HH2      ARG  25   4.637  -3.874   0.736
   28    H    HIS  26           H        HIS  26  -1.891  -1.131  -2.551
   29    HA   HIS  26           HA       HIS  26  -3.298  -1.544  -4.843
   30   1HB   HIS  26          1HB       HIS  26  -3.555   0.435  -3.195
   31   2HB   HIS  26          2HB       HIS  26  -2.284   1.242  -4.106
   32    HD1  HIS  26           HD1      HIS  26  -2.970   2.200  -6.360
   33    HD2  HIS  26           HD2      HIS  26  -5.881  -0.214  -4.647
   34    HE1  HIS  26           HE1      HIS  26  -5.072   2.390  -7.696
   35    H    TYR  27           H        TYR  27  -0.019  -0.581  -4.535
   36    HA   TYR  27           HA       TYR  27   0.230  -0.329  -7.487
   37   1HB   TYR  27          1HB       TYR  27   0.657   1.748  -6.164
   38   2HB   TYR  27          2HB       TYR  27   1.806   0.899  -5.163
   39    HD1  TYR  27           HD1      TYR  27   1.222   2.268  -8.538
   40    HD2  TYR  27           HD2      TYR  27   4.099   0.654  -5.845
   41    HE1  TYR  27           HE1      TYR  27   3.027   3.022 -10.014
   42    HE2  TYR  27           HE2      TYR  27   5.900   1.413  -7.330
   43    HH   TYR  27           HH       TYR  27   5.766   2.001 -10.228
   44    H    LEU  28           H        LEU  28   1.369  -2.160  -4.817
   45    HA   LEU  28           HA       LEU  28   3.597  -3.268  -6.382
   46   1HB   LEU  28          1HB       LEU  28   3.285  -2.637  -3.765
   47   2HB   LEU  28          2HB       LEU  28   2.708  -4.266  -3.691
   48    HG   LEU  28           HG       LEU  28   5.169  -4.006  -3.146
   49   1HD1  LEU  28          1HD1      LEU  28   4.233  -6.146  -4.074
   50   2HD1  LEU  28          2HD1      LEU  28   4.703  -5.618  -5.679
   51   3HD1  LEU  28          3HD1      LEU  28   5.926  -5.904  -4.453
   52   1HD2  LEU  28          1HD2      LEU  28   5.342  -2.142  -5.050
   53   2HD2  LEU  28          2HD2      LEU  28   6.727  -3.107  -4.599
   54   3HD2  LEU  28          3HD2      LEU  28   5.820  -3.510  -6.049
   55    H    ASN  29           H        ASN  29   0.602  -3.938  -5.038
   56    HA   ASN  29           HA       ASN  29   0.402  -6.729  -5.874
   57   1HB   ASN  29          1HB       ASN  29  -0.521  -5.803  -3.787
   58   2HB   ASN  29          2HB       ASN  29  -1.712  -4.936  -4.745
   59   1HD2  ASN  29          2HD2      ASN  29  -3.134  -6.127  -6.065
   60   2HD2  ASN  29          1HD2      ASN  29  -3.581  -7.715  -5.634
   61    H    LEU  30           H        LEU  30  -0.517  -3.628  -7.064
   62    HA   LEU  30           HA       LEU  30  -2.282  -4.789  -9.134
   63   1HB   LEU  30          1HB       LEU  30  -2.638  -2.655  -7.868
   64   2HB   LEU  30          2HB       LEU  30  -1.253  -1.997  -8.663
   65    HG   LEU  30           HG       LEU  30  -3.430  -3.102 -10.457
   66   1HD1  LEU  30          1HD1      LEU  30  -3.500  -0.491  -8.887
   67   2HD1  LEU  30          2HD1      LEU  30  -4.405  -0.699 -10.374
   68   3HD1  LEU  30          3HD1      LEU  30  -4.756  -1.710  -8.989
   69   1HD2  LEU  30          1HD2      LEU  30  -1.113  -1.174 -10.646
   70   2HD2  LEU  30          2HD2      LEU  30  -1.705  -2.323 -11.828
   71   3HD2  LEU  30          3HD2      LEU  30  -2.522  -0.795 -11.613
   72    H    LEU  31           H        LEU  31   0.966  -4.045  -8.506
   73    HA   LEU  31           HA       LEU  31   1.713  -3.774 -11.362
   74   1HB   LEU  31          1HB       LEU  31   2.904  -2.349  -9.835
   75   2HB   LEU  31          2HB       LEU  31   3.253  -3.661  -8.747
   76    HG   LEU  31           HG       LEU  31   4.427  -4.477 -11.246
   77   1HD1  LEU  31          1HD1      LEU  31   4.040  -2.199 -12.085
   78   2HD1  LEU  31          2HD1      LEU  31   4.962  -1.536 -10.743
   79   3HD1  LEU  31          3HD1      LEU  31   5.744  -2.571 -11.929
   80   1HD2  LEU  31          1HD2      LEU  31   5.238  -4.699  -8.818
   81   2HD2  LEU  31          2HD2      LEU  31   6.457  -4.372 -10.032
   82   3HD2  LEU  31          3HD2      LEU  31   5.886  -3.074  -8.987
   83    H    THR  32           H        THR  32   2.346  -6.160  -8.732
   84    HA   THR  32           HA       THR  32   3.859  -7.802 -10.553
   85    HB   THR  32           HB       THR  32   3.741  -8.047  -8.097
   86    HG1  THR  32           HG1      THR  32   3.040 -10.577  -8.957
   87   1HG2  THR  32          1HG2      THR  32   1.195  -8.028  -7.828
   88   2HG2  THR  32          2HG2      THR  32   1.120  -9.589  -8.623
   89   3HG2  THR  32          3HG2      THR  32   1.935  -9.421  -7.074
   90    H    ARG  33           H        ARG  33   0.524  -7.199 -10.167
   91    HA   ARG  33           HA       ARG  33  -0.358  -9.483 -11.782
   92   1HB   ARG  33          1HB       ARG  33  -1.766  -7.031 -10.701
   93   2HB   ARG  33          2HB       ARG  33  -2.586  -8.304 -11.594
   94   1HG   ARG  33          1HG       ARG  33  -1.487  -9.955  -9.871
   95   2HG   ARG  33          2HG       ARG  33  -1.108  -8.557  -8.916
   96   1HD   ARG  33          1HD       ARG  33  -3.845  -9.552  -9.696
   97   2HD   ARG  33          2HD       ARG  33  -3.204  -9.387  -8.053
   98    HE   ARG  33           HE       ARG  33  -2.894  -6.932  -8.709
   99   1HH1  ARG  33          1HH1      ARG  33  -5.546  -8.919  -9.695
  100   2HH1  ARG  33          2HH1      ARG  33  -6.664  -7.654  -9.939
  101   1HH2  ARG  33          1HH2      ARG  33  -4.331  -5.174  -8.992
  102   2HH2  ARG  33          2HH2      ARG  33  -5.954  -5.439  -9.468
  103    H    GLN  34           H        GLN  34   0.763  -6.346 -12.533
  104    HA   GLN  34           HA       GLN  34  -0.432  -6.504 -15.274
  105   1HB   GLN  34          1HB       GLN  34  -0.267  -4.171 -15.326
  106   2HB   GLN  34          2HB       GLN  34  -0.762  -4.534 -13.679
  107   1HG   GLN  34          1HG       GLN  34   0.915  -3.027 -13.167
  108   2HG   GLN  34          2HG       GLN  34   1.889  -4.484 -13.241
  109   1HE2  GLN  34          2HE2      GLN  34   0.593  -2.198 -15.669
  110   2HE2  GLN  34          1HE2      GLN  34   2.074  -2.071 -16.486
  111    H    ARG  35           H        ARG  35   2.413  -6.606 -13.427
  112    HA   ARG  35           HA       ARG  35   4.143  -6.582 -15.827
  113   1HB   ARG  35          1HB       ARG  35   4.510  -5.200 -13.580
  114   2HB   ARG  35          2HB       ARG  35   5.171  -6.697 -12.968
  115   1HG   ARG  35          1HG       ARG  35   7.131  -5.861 -13.857
  116   2HG   ARG  35          2HG       ARG  35   6.527  -6.596 -15.325
  117   1HD   ARG  35          1HD       ARG  35   5.403  -4.376 -15.880
  118   2HD   ARG  35          2HD       ARG  35   6.196  -3.645 -14.527
  119    HE   ARG  35           HE       ARG  35   7.512  -4.837 -16.947
  120   1HH1  ARG  35          1HH1      ARG  35   7.773  -2.934 -14.083
  121   2HH1  ARG  35          2HH1      ARG  35   9.299  -2.255 -14.459
  122   1HH2  ARG  35          1HH2      ARG  35   9.514  -4.059 -17.487
  123   2HH2  ARG  35          2HH2      ARG  35  10.345  -2.955 -16.476
  124    H    TYR  36           H        TYR  36   3.597  -8.859 -12.984
  125    HA   TYR  36           HA       TYR  36   5.370 -10.734 -14.377
  126   1HB   TYR  36          1HB       TYR  36   4.000 -10.499 -11.684
  127   2HB   TYR  36          2HB       TYR  36   4.310 -12.093 -12.286
  128    HD1  TYR  36           HD1      TYR  36   5.842  -8.826 -11.548
  129    HD2  TYR  36           HD2      TYR  36   6.622 -12.933 -12.326
  130    HE1  TYR  36           HE1      TYR  36   8.171  -8.484 -10.929
  131    HE2  TYR  36           HE2      TYR  36   8.972 -12.591 -11.700
  132    HH   TYR  36           HH       TYR  36  10.029  -9.933 -10.048
  133   1HN   NH2  37          1HN       NH2  37   3.383 -10.001 -16.009
  134   2HN   NH2  37          2HN       NH2  37   2.240 -11.238 -16.208
  Start of MODEL    5
    1   1H    ACE  23          1HA       ACE  23  -2.513  -1.079   1.101
    2   2H    ACE  23          2HA       ACE  23  -3.395   0.332   0.519
    3   3H    ACE  23          3HA       ACE  23  -1.995   0.547   1.565
    4    H    LEU  24           H        LEU  24   0.109   0.172   0.659
    5    HA   LEU  24           HA       LEU  24   0.485   1.055  -1.970
    6   1HB   LEU  24          1HB       LEU  24   2.120   1.147   0.001
    7   2HB   LEU  24          2HB       LEU  24   2.361  -0.571  -0.196
    8    HG   LEU  24           HG       LEU  24   3.079   0.102  -2.698
    9   1HD1  LEU  24          1HD1      LEU  24   3.470   2.743  -1.205
   10   2HD1  LEU  24          2HD1      LEU  24   4.012   2.381  -2.832
   11   3HD1  LEU  24          3HD1      LEU  24   2.302   2.485  -2.488
   12   1HD2  LEU  24          1HD2      LEU  24   4.802   0.801  -0.298
   13   2HD2  LEU  24          2HD2      LEU  24   4.615  -0.808  -0.977
   14   3HD2  LEU  24          3HD2      LEU  24   5.380   0.460  -1.920
   15    H    ARG  25           H        ARG  25  -0.546  -1.783  -1.006
   16    HA   ARG  25           HA       ARG  25   0.690  -3.610  -2.878
   17   1HB   ARG  25          1HB       ARG  25  -2.204  -3.761  -1.848
   18   2HB   ARG  25          2HB       ARG  25  -1.249  -5.120  -2.372
   19   1HG   ARG  25          1HG       ARG  25  -0.991  -3.522   0.194
   20   2HG   ARG  25          2HG       ARG  25  -1.216  -5.239  -0.006
   21   1HD   ARG  25          1HD       ARG  25   1.331  -3.684  -0.620
   22   2HD   ARG  25          2HD       ARG  25   1.139  -4.816   0.675
   23    HE   ARG  25           HE       ARG  25   1.253  -5.448  -2.252
   24   1HH1  ARG  25          1HH1      ARG  25   1.155  -6.588   1.010
   25   2HH1  ARG  25          2HH1      ARG  25   1.661  -8.168   0.622
   26   1HH2  ARG  25          1HH2      ARG  25   1.874  -7.527  -2.814
   27   2HH2  ARG  25          2HH2      ARG  25   2.086  -8.708  -1.600
   28    H    HIS  26           H        HIS  26  -2.039  -1.470  -2.793
   29    HA   HIS  26           HA       HIS  26  -3.252  -1.922  -5.193
   30   1HB   HIS  26          1HB       HIS  26  -3.753  -0.095  -3.406
   31   2HB   HIS  26          2HB       HIS  26  -2.679   0.932  -4.354
   32    HD1  HIS  26           HD1      HIS  26  -3.541   1.638  -6.671
   33    HD2  HIS  26           HD2      HIS  26  -6.002  -1.044  -4.682
   34    HE1  HIS  26           HE1      HIS  26  -5.714   1.481  -7.888
   35    H    TYR  27           H        TYR  27  -0.107  -0.751  -4.676
   36    HA   TYR  27           HA       TYR  27   0.239  -0.147  -7.550
   37   1HB   TYR  27          1HB       TYR  27   0.434   1.832  -6.083
   38   2HB   TYR  27          2HB       TYR  27   1.601   0.986  -5.080
   39    HD1  TYR  27           HD1      TYR  27   1.067   2.417  -8.464
   40    HD2  TYR  27           HD2      TYR  27   3.927   0.992  -5.649
   41    HE1  TYR  27           HE1      TYR  27   2.888   3.288  -9.862
   42    HE2  TYR  27           HE2      TYR  27   5.737   1.865  -7.053
   43    HH   TYR  27           HH       TYR  27   5.666   2.409  -9.944
   44    H    LEU  28           H        LEU  28   1.667  -1.920  -4.911
   45    HA   LEU  28           HA       LEU  28   3.942  -2.696  -6.606
   46   1HB   LEU  28          1HB       LEU  28   3.717  -2.242  -3.972
   47   2HB   LEU  28          2HB       LEU  28   3.285  -3.908  -3.951
   48    HG   LEU  28           HG       LEU  28   5.433  -4.298  -5.479
   49   1HD1  LEU  28          1HD1      LEU  28   5.868  -1.833  -5.776
   50   2HD1  LEU  28          2HD1      LEU  28   6.162  -1.697  -4.054
   51   3HD1  LEU  28          3HD1      LEU  28   7.233  -2.658  -5.055
   52   1HD2  LEU  28          1HD2      LEU  28   5.622  -3.681  -2.490
   53   2HD2  LEU  28          2HD2      LEU  28   5.257  -5.240  -3.218
   54   3HD2  LEU  28          3HD2      LEU  28   6.851  -4.538  -3.402
   55    H    ASN  29           H        ASN  29   1.066  -3.762  -5.188
   56    HA   ASN  29           HA       ASN  29   1.362  -6.530  -6.070
   57   1HB   ASN  29          1HB       ASN  29   0.095  -5.769  -4.014
   58   2HB   ASN  29          2HB       ASN  29  -1.122  -5.131  -5.106
   59   1HD2  ASN  29          2HD2      ASN  29  -2.239  -6.580  -6.475
   60   2HD2  ASN  29          1HD2      ASN  29  -2.299  -8.238  -6.138
   61    H    LEU  30           H        LEU  30  -0.445  -3.649  -7.013
   62    HA   LEU  30           HA       LEU  30  -1.818  -4.871  -9.223
   63   1HB   LEU  30          1HB       LEU  30  -2.330  -2.681  -8.197
   64   2HB   LEU  30          2HB       LEU  30  -0.820  -2.046  -8.771
   65    HG   LEU  30           HG       LEU  30  -2.554  -3.244 -10.926
   66   1HD1  LEU  30          1HD1      LEU  30  -3.427  -0.832  -9.281
   67   2HD1  LEU  30          2HD1      LEU  30  -3.936  -1.047 -10.948
   68   3HD1  LEU  30          3HD1      LEU  30  -4.372  -2.240  -9.741
   69   1HD2  LEU  30          1HD2      LEU  30  -1.095  -0.573 -10.651
   70   2HD2  LEU  30          2HD2      LEU  30  -0.437  -2.007 -11.417
   71   3HD2  LEU  30          3HD2      LEU  30  -1.815  -1.191 -12.129
   72    H    LEU  31           H        LEU  31   1.364  -3.707  -8.621
   73    HA   LEU  31           HA       LEU  31   2.305  -3.660 -11.361
   74   1HB   LEU  31          1HB       LEU  31   3.406  -2.956  -8.801
   75   2HB   LEU  31          2HB       LEU  31   4.357  -4.312  -9.297
   76    HG   LEU  31           HG       LEU  31   5.405  -2.220 -10.037
   77   1HD1  LEU  31          1HD1      LEU  31   5.362  -4.371 -11.534
   78   2HD1  LEU  31          2HD1      LEU  31   4.289  -3.441 -12.573
   79   3HD1  LEU  31          3HD1      LEU  31   5.910  -2.863 -12.240
   80   1HD2  LEU  31          1HD2      LEU  31   3.367  -0.819 -10.219
   81   2HD2  LEU  31          2HD2      LEU  31   4.334  -0.741 -11.680
   82   3HD2  LEU  31          3HD2      LEU  31   2.865  -1.682 -11.660
   83    H    THR  32           H        THR  32   2.351  -6.043  -8.747
   84    HA   THR  32           HA       THR  32   3.701  -7.963 -10.491
   85    HB   THR  32           HB       THR  32   3.381  -7.947  -7.870
   86    HG1  THR  32           HG1      THR  32   3.366 -10.531  -8.492
   87   1HG2  THR  32          1HG2      THR  32   0.759  -8.547  -8.172
   88   2HG2  THR  32          2HG2      THR  32   1.347 -10.150  -8.512
   89   3HG2  THR  32          3HG2      THR  32   1.680  -9.395  -6.958
   90    H    ARG  33           H        ARG  33   0.416  -6.950 -10.052
   91    HA   ARG  33           HA       ARG  33  -0.715  -9.217 -11.478
   92   1HB   ARG  33          1HB       ARG  33  -1.909  -6.458 -10.885
   93   2HB   ARG  33          2HB       ARG  33  -2.831  -7.797 -11.501
   94   1HG   ARG  33          1HG       ARG  33  -1.414  -8.617  -9.046
   95   2HG   ARG  33          2HG       ARG  33  -2.289  -7.140  -8.761
   96   1HD   ARG  33          1HD       ARG  33  -3.807  -8.930  -8.257
   97   2HD   ARG  33          2HD       ARG  33  -4.388  -8.229  -9.776
   98    HE   ARG  33           HE       ARG  33  -2.740  -9.997 -10.783
   99   1HH1  ARG  33          1HH1      ARG  33  -4.860 -10.529  -8.055
  100   2HH1  ARG  33          2HH1      ARG  33  -4.929 -12.220  -8.271
  101   1HH2  ARG  33          1HH2      ARG  33  -2.828 -12.173 -11.104
  102   2HH2  ARG  33          2HH2      ARG  33  -3.757 -13.179 -10.080
  103    H    GLN  34           H        GLN  34   0.401  -6.023 -12.391
  104    HA   GLN  34           HA       GLN  34  -0.548  -6.491 -15.161
  105   1HB   GLN  34          1HB       GLN  34  -0.111  -4.139 -15.473
  106   2HB   GLN  34          2HB       GLN  34  -0.950  -4.343 -13.940
  107   1HG   GLN  34          1HG       GLN  34   0.693  -3.080 -13.016
  108   2HG   GLN  34          2HG       GLN  34   1.704  -4.504 -13.129
  109   1HE2  GLN  34          2HE2      GLN  34   1.971  -4.406 -16.110
  110   2HE2  GLN  34          1HE2      GLN  34   2.945  -3.040 -16.384
  111    H    ARG  35           H        ARG  35   2.275  -6.678 -13.244
  112    HA   ARG  35           HA       ARG  35   3.998  -6.753 -15.674
  113   1HB   ARG  35          1HB       ARG  35   4.468  -5.446 -13.367
  114   2HB   ARG  35          2HB       ARG  35   5.048  -6.998 -12.834
  115   1HG   ARG  35          1HG       ARG  35   7.033  -6.049 -13.693
  116   2HG   ARG  35          2HG       ARG  35   6.462  -6.891 -15.118
  117   1HD   ARG  35          1HD       ARG  35   5.483  -4.826 -16.035
  118   2HD   ARG  35          2HD       ARG  35   5.699  -3.992 -14.526
  119    HE   ARG  35           HE       ARG  35   8.104  -3.985 -14.818
  120   1HH1  ARG  35          1HH1      ARG  35   6.292  -4.907 -17.623
  121   2HH1  ARG  35          2HH1      ARG  35   7.514  -4.461 -18.740
  122   1HH2  ARG  35          1HH2      ARG  35   9.766  -3.446 -16.248
  123   2HH2  ARG  35          2HH2      ARG  35   9.527  -3.634 -17.924
  124    H    TYR  36           H        TYR  36   3.288  -8.886 -12.750
  125    HA   TYR  36           HA       TYR  36   4.670 -11.023 -14.236
  126   1HB   TYR  36          1HB       TYR  36   3.587 -10.544 -11.432
  127   2HB   TYR  36          2HB       TYR  36   3.692 -12.170 -12.014
  128    HD1  TYR  36           HD1      TYR  36   5.567  -9.100 -11.290
  129    HD2  TYR  36           HD2      TYR  36   5.909 -13.201 -12.370
  130    HE1  TYR  36           HE1      TYR  36   7.946  -8.998 -10.843
  131    HE2  TYR  36           HE2      TYR  36   8.310 -13.113 -11.920
  132    HH   TYR  36           HH       TYR  36   9.873 -10.200 -10.691
  133   1HN   NH2  37          1HN       NH2  37   2.775 -10.118 -15.767
  134   2HN   NH2  37          2HN       NH2  37   1.351 -11.043 -15.735
  Start of MODEL    6
    1   1H    ACE  23          1HA       ACE  23  -2.238  -0.123   1.257
    2   2H    ACE  23          2HA       ACE  23  -3.431   0.501   0.115
    3   3H    ACE  23          3HA       ACE  23  -2.337   1.615   0.932
    4    H    LEU  24           H        LEU  24   0.105   0.378   0.621
    5    HA   LEU  24           HA       LEU  24   0.745   1.010  -2.068
    6   1HB   LEU  24          1HB       LEU  24   2.242   1.161   0.014
    7   2HB   LEU  24          2HB       LEU  24   2.346  -0.579  -0.003
    8    HG   LEU  24           HG       LEU  24   3.303  -0.225  -2.480
    9   1HD1  LEU  24          1HD1      LEU  24   2.707   2.243  -2.522
   10   2HD1  LEU  24          2HD1      LEU  24   3.874   2.514  -1.239
   11   3HD1  LEU  24          3HD1      LEU  24   4.403   1.932  -2.805
   12   1HD2  LEU  24          1HD2      LEU  24   4.883   0.591  -0.008
   13   2HD2  LEU  24          2HD2      LEU  24   4.613  -1.061  -0.537
   14   3HD2  LEU  24          3HD2      LEU  24   5.565   0.031  -1.526
   15    H    ARG  25           H        ARG  25  -0.622  -1.620  -0.903
   16    HA   ARG  25           HA       ARG  25   0.602  -3.645  -2.622
   17   1HB   ARG  25          1HB       ARG  25  -1.697  -3.592  -0.692
   18   2HB   ARG  25          2HB       ARG  25  -2.086  -4.527  -2.106
   19   1HG   ARG  25          1HG       ARG  25  -1.077  -6.045  -0.612
   20   2HG   ARG  25          2HG       ARG  25   0.050  -5.777  -1.913
   21   1HD   ARG  25          1HD       ARG  25   1.591  -5.092  -0.459
   22   2HD   ARG  25          2HD       ARG  25   0.616  -3.708   0.020
   23    HE   ARG  25           HE       ARG  25  -0.650  -5.417   1.478
   24   1HH1  ARG  25          1HH1      ARG  25   2.752  -5.471   0.825
   25   2HH1  ARG  25          2HH1      ARG  25   3.189  -6.291   2.253
   26   1HH2  ARG  25          1HH2      ARG  25  -0.137  -6.493   3.411
   27   2HH2  ARG  25          2HH2      ARG  25   1.485  -6.883   3.785
   28    H    HIS  26           H        HIS  26  -1.942  -1.276  -2.772
   29    HA   HIS  26           HA       HIS  26  -3.039  -2.189  -5.214
   30   1HB   HIS  26          1HB       HIS  26  -3.857  -0.295  -3.517
   31   2HB   HIS  26          2HB       HIS  26  -2.974   0.764  -4.612
   32    HD1  HIS  26           HD1      HIS  26  -4.019   1.076  -6.936
   33    HD2  HIS  26           HD2      HIS  26  -5.879  -1.821  -4.620
   34    HE1  HIS  26           HE1      HIS  26  -6.139   0.363  -8.069
   35    H    TYR  27           H        TYR  27  -0.011  -1.032  -4.561
   36    HA   TYR  27           HA       TYR  27   0.461  -0.247  -7.368
   37   1HB   TYR  27          1HB       TYR  27   0.525   1.567  -5.546
   38   2HB   TYR  27          2HB       TYR  27   1.948   0.734  -4.925
   39    HD1  TYR  27           HD1      TYR  27   0.568   2.510  -7.875
   40    HD2  TYR  27           HD2      TYR  27   4.082   0.979  -6.017
   41    HE1  TYR  27           HE1      TYR  27   1.944   3.659  -9.520
   42    HE2  TYR  27           HE2      TYR  27   5.454   2.125  -7.660
   43    HH   TYR  27           HH       TYR  27   5.122   4.247  -9.180
   44    H    LEU  28           H        LEU  28   1.577  -2.160  -4.759
   45    HA   LEU  28           HA       LEU  28   4.050  -2.934  -6.106
   46   1HB   LEU  28          1HB       LEU  28   3.321  -2.543  -3.493
   47   2HB   LEU  28          2HB       LEU  28   3.008  -4.229  -3.635
   48    HG   LEU  28           HG       LEU  28   5.454  -4.381  -4.684
   49   1HD1  LEU  28          1HD1      LEU  28   5.721  -1.873  -4.878
   50   2HD1  LEU  28          2HD1      LEU  28   5.679  -1.751  -3.126
   51   3HD1  LEU  28          3HD1      LEU  28   6.989  -2.610  -3.922
   52   1HD2  LEU  28          1HD2      LEU  28   4.998  -3.812  -1.719
   53   2HD2  LEU  28          2HD2      LEU  28   4.917  -5.380  -2.513
   54   3HD2  LEU  28          3HD2      LEU  28   6.448  -4.541  -2.385
   55    H    ASN  29           H        ASN  29   0.912  -3.995  -5.163
   56    HA   ASN  29           HA       ASN  29   1.380  -6.649  -6.318
   57   1HB   ASN  29          1HB       ASN  29   0.121  -6.244  -4.237
   58   2HB   ASN  29          2HB       ASN  29  -1.154  -5.502  -5.184
   59   1HD2  ASN  29          2HD2      ASN  29  -2.081  -6.840  -6.991
   60   2HD2  ASN  29          1HD2      ASN  29  -2.215  -8.516  -6.722
   61    H    LEU  30           H        LEU  30  -0.517  -3.739  -6.982
   62    HA   LEU  30           HA       LEU  30  -1.989  -4.886  -9.158
   63   1HB   LEU  30          1HB       LEU  30  -2.409  -2.718  -7.942
   64   2HB   LEU  30          2HB       LEU  30  -0.993  -2.064  -8.706
   65    HG   LEU  30           HG       LEU  30  -3.044  -3.283 -10.568
   66   1HD1  LEU  30          1HD1      LEU  30  -3.643  -0.861  -8.815
   67   2HD1  LEU  30          2HD1      LEU  30  -4.447  -1.112 -10.356
   68   3HD1  LEU  30          3HD1      LEU  30  -4.647  -2.279  -9.068
   69   1HD2  LEU  30          1HD2      LEU  30  -1.012  -2.002 -11.349
   70   2HD2  LEU  30          2HD2      LEU  30  -2.514  -1.299 -11.917
   71   3HD2  LEU  30          3HD2      LEU  30  -1.656  -0.567 -10.569
   72    H    LEU  31           H        LEU  31   1.184  -3.672  -8.692
   73    HA   LEU  31           HA       LEU  31   1.913  -3.570 -11.522
   74   1HB   LEU  31          1HB       LEU  31   2.972  -2.566  -9.176
   75   2HB   LEU  31          2HB       LEU  31   4.080  -3.859  -9.426
   76    HG   LEU  31           HG       LEU  31   4.961  -1.797 -10.440
   77   1HD1  LEU  31          1HD1      LEU  31   5.209  -3.923 -11.832
   78   2HD1  LEU  31          2HD1      LEU  31   3.853  -3.370 -12.801
   79   3HD1  LEU  31          3HD1      LEU  31   5.331  -2.423 -12.739
   80   1HD2  LEU  31          1HD2      LEU  31   2.805  -0.586 -10.612
   81   2HD2  LEU  31          2HD2      LEU  31   3.731  -0.470 -12.093
   82   3HD2  LEU  31          3HD2      LEU  31   2.351  -1.544 -12.009
   83    H    THR  32           H        THR  32   1.769  -6.051  -9.190
   84    HA   THR  32           HA       THR  32   3.587  -7.770 -10.792
   85    HB   THR  32           HB       THR  32   3.169  -7.695  -8.129
   86    HG1  THR  32           HG1      THR  32   4.585  -9.181  -8.601
   87   1HG2  THR  32          1HG2      THR  32   0.652  -8.641  -8.494
   88   2HG2  THR  32          2HG2      THR  32   1.491 -10.139  -8.857
   89   3HG2  THR  32          3HG2      THR  32   1.673  -9.377  -7.288
   90    H    ARG  33           H        ARG  33   0.208  -7.236  -9.988
   91    HA   ARG  33           HA       ARG  33  -0.891  -9.341 -11.556
   92   1HB   ARG  33          1HB       ARG  33  -1.957  -6.655 -10.556
   93   2HB   ARG  33          2HB       ARG  33  -2.964  -7.676 -11.544
   94   1HG   ARG  33          1HG       ARG  33  -1.615  -8.935  -9.152
   95   2HG   ARG  33          2HG       ARG  33  -2.949  -7.839  -8.844
   96   1HD   ARG  33          1HD       ARG  33  -4.336  -9.166 -10.491
   97   2HD   ARG  33          2HD       ARG  33  -3.039 -10.354 -10.603
   98    HE   ARG  33           HE       ARG  33  -3.267 -10.475  -8.038
   99   1HH1  ARG  33          1HH1      ARG  33  -5.946  -9.940 -10.196
  100   2HH1  ARG  33          2HH1      ARG  33  -7.124 -10.573  -9.141
  101   1HH2  ARG  33          1HH2      ARG  33  -4.796 -11.357  -6.633
  102   2HH2  ARG  33          2HH2      ARG  33  -6.448 -11.445  -7.065
  103    H    GLN  34           H        GLN  34   0.574  -6.385 -12.354
  104    HA   GLN  34           HA       GLN  34  -0.517  -6.521 -15.132
  105   1HB   GLN  34          1HB       GLN  34   0.885  -4.283 -13.643
  106   2HB   GLN  34          2HB       GLN  34   0.374  -4.194 -15.320
  107   1HG   GLN  34          1HG       GLN  34  -1.815  -5.096 -13.509
  108   2HG   GLN  34          2HG       GLN  34  -1.155  -3.534 -13.077
  109   1HE2  GLN  34          2HE2      GLN  34  -2.121  -5.210 -16.149
  110   2HE2  GLN  34          1HE2      GLN  34  -2.848  -3.808 -16.778
  111    H    ARG  35           H        ARG  35   2.616  -6.488 -13.363
  112    HA   ARG  35           HA       ARG  35   3.900  -6.852 -15.996
  113   1HB   ARG  35          1HB       ARG  35   4.479  -5.268 -13.775
  114   2HB   ARG  35          2HB       ARG  35   5.491  -6.636 -13.507
  115   1HG   ARG  35          1HG       ARG  35   6.911  -5.307 -14.893
  116   2HG   ARG  35          2HG       ARG  35   6.073  -6.156 -16.170
  117   1HD   ARG  35          1HD       ARG  35   4.297  -4.073 -15.627
  118   2HD   ARG  35          2HD       ARG  35   5.796  -3.269 -15.302
  119    HE   ARG  35           HE       ARG  35   4.911  -4.498 -17.880
  120   1HH1  ARG  35          1HH1      ARG  35   7.229  -2.579 -16.180
  121   2HH1  ARG  35          2HH1      ARG  35   7.952  -1.917 -17.587
  122   1HH2  ARG  35          1HH2      ARG  35   5.816  -3.693 -19.748
  123   2HH2  ARG  35          2HH2      ARG  35   7.118  -2.589 -19.678
  124    H    TYR  36           H        TYR  36   3.300  -8.660 -12.992
  125    HA   TYR  36           HA       TYR  36   4.977 -10.858 -14.014
  126   1HB   TYR  36          1HB       TYR  36   3.624 -10.108 -11.388
  127   2HB   TYR  36          2HB       TYR  36   4.173 -11.702 -11.700
  128    HD1  TYR  36           HD1      TYR  36   6.376  -9.285 -13.262
  129    HD2  TYR  36           HD2      TYR  36   5.428 -11.126  -9.535
  130    HE1  TYR  36           HE1      TYR  36   8.540  -8.623 -12.381
  131    HE2  TYR  36           HE2      TYR  36   7.612 -10.456  -8.658
  132    HH   TYR  36           HH       TYR  36  10.034  -9.869 -10.061
  133   1HN   NH2  37          1HN       NH2  37   2.378  -9.783 -15.094
  134   2HN   NH2  37          2HN       NH2  37   1.306 -11.090 -15.100
  Start of MODEL    7
    1   1H    ACE  23          1HA       ACE  23  -1.430   1.741   1.203
    2   2H    ACE  23          2HA       ACE  23  -1.507   0.011   1.555
    3   3H    ACE  23          3HA       ACE  23  -2.755   0.775   0.568
    4    H    LEU  24           H        LEU  24   0.798   0.562   0.568
    5    HA   LEU  24           HA       LEU  24   1.220   0.977  -2.131
    6   1HB   LEU  24          1HB       LEU  24   2.986   1.010  -0.323
    7   2HB   LEU  24          2HB       LEU  24   2.822  -0.722  -0.146
    8    HG   LEU  24           HG       LEU  24   3.732  -1.094  -2.404
    9   1HD1  LEU  24          1HD1      LEU  24   3.388   1.907  -2.633
   10   2HD1  LEU  24          2HD1      LEU  24   4.737   1.177  -3.475
   11   3HD1  LEU  24          3HD1      LEU  24   3.103   0.655  -3.829
   12   1HD2  LEU  24          1HD2      LEU  24   5.286  -0.740  -0.434
   13   2HD2  LEU  24          2HD2      LEU  24   6.005  -0.342  -1.983
   14   3HD2  LEU  24          3HD2      LEU  24   5.448   0.939  -0.920
   15    H    ARG  25           H        ARG  25  -0.184  -1.536  -0.758
   16    HA   ARG  25           HA       ARG  25   0.595  -3.632  -2.646
   17   1HB   ARG  25          1HB       ARG  25  -1.409  -3.408  -0.422
   18   2HB   ARG  25          2HB       ARG  25  -2.065  -4.280  -1.779
   19   1HG   ARG  25          1HG       ARG  25  -0.990  -5.891  -0.394
   20   2HG   ARG  25          2HG       ARG  25  -0.071  -5.739  -1.869
   21   1HD   ARG  25          1HD       ARG  25   1.747  -5.271  -0.648
   22   2HD   ARG  25          2HD       ARG  25   1.039  -3.740  -0.165
   23    HE   ARG  25           HE       ARG  25  -0.201  -5.094   1.612
   24   1HH1  ARG  25          1HH1      ARG  25   2.981  -5.905   0.491
   25   2HH1  ARG  25          2HH1      ARG  25   3.449  -6.718   1.912
   26   1HH2  ARG  25          1HH2      ARG  25   0.378  -6.149   3.530
   27   2HH2  ARG  25          2HH2      ARG  25   1.928  -6.845   3.694
   28    H    HIS  26           H        HIS  26  -1.969  -1.273  -2.301
   29    HA   HIS  26           HA       HIS  26  -3.555  -1.753  -4.440
   30   1HB   HIS  26          1HB       HIS  26  -3.680   0.267  -2.859
   31   2HB   HIS  26          2HB       HIS  26  -2.536   1.065  -3.938
   32    HD1  HIS  26           HD1      HIS  26  -3.441   1.678  -6.282
   33    HD2  HIS  26           HD2      HIS  26  -6.118  -0.403  -3.897
   34    HE1  HIS  26           HE1      HIS  26  -5.680   1.733  -7.368
   35    H    TYR  27           H        TYR  27  -0.316  -0.602  -4.488
   36    HA   TYR  27           HA       TYR  27  -0.323  -0.413  -7.455
   37   1HB   TYR  27          1HB       TYR  27   0.203   1.738  -6.341
   38   2HB   TYR  27          2HB       TYR  27   1.464   0.959  -5.397
   39    HD1  TYR  27           HD1      TYR  27   0.381   1.470  -8.896
   40    HD2  TYR  27           HD2      TYR  27   3.667   0.935  -6.260
   41    HE1  TYR  27           HE1      TYR  27   1.934   1.806 -10.782
   42    HE2  TYR  27           HE2      TYR  27   5.221   1.267  -8.126
   43    HH   TYR  27           HH       TYR  27   5.302   2.226 -10.342
   44    H    LEU  28           H        LEU  28   1.303  -2.123  -4.874
   45    HA   LEU  28           HA       LEU  28   3.455  -3.027  -6.648
   46   1HB   LEU  28          1HB       LEU  28   3.308  -2.634  -3.979
   47   2HB   LEU  28          2HB       LEU  28   2.763  -4.270  -4.004
   48    HG   LEU  28           HG       LEU  28   4.888  -4.814  -5.463
   49   1HD1  LEU  28          1HD1      LEU  28   5.609  -2.058  -4.344
   50   2HD1  LEU  28          2HD1      LEU  28   6.803  -3.181  -4.973
   51   3HD1  LEU  28          3HD1      LEU  28   5.572  -2.533  -6.035
   52   1HD2  LEU  28          1HD2      LEU  28   5.150  -3.995  -2.532
   53   2HD2  LEU  28          2HD2      LEU  28   4.703  -5.581  -3.145
   54   3HD2  LEU  28          3HD2      LEU  28   6.328  -4.974  -3.389
   55    H    ASN  29           H        ASN  29   0.550  -3.961  -5.129
   56    HA   ASN  29           HA       ASN  29   0.534  -6.685  -6.036
   57   1HB   ASN  29          1HB       ASN  29  -0.818  -5.662  -4.096
   58   2HB   ASN  29          2HB       ASN  29  -1.816  -4.894  -5.317
   59   1HD2  ASN  29          2HD2      ASN  29  -2.827  -6.409  -6.918
   60   2HD2  ASN  29          1HD2      ASN  29  -3.399  -7.876  -6.289
   61    H    LEU  30           H        LEU  30  -0.762  -3.653  -7.130
   62    HA   LEU  30           HA       LEU  30  -2.006  -4.658  -9.520
   63   1HB   LEU  30          1HB       LEU  30  -2.546  -2.542  -8.387
   64   2HB   LEU  30          2HB       LEU  30  -0.973  -1.916  -8.746
   65    HG   LEU  30           HG       LEU  30  -2.685  -2.835 -11.084
   66   1HD1  LEU  30          1HD1      LEU  30  -2.936  -0.131  -9.673
   67   2HD1  LEU  30          2HD1      LEU  30  -3.702  -0.536 -11.199
   68   3HD1  LEU  30          3HD1      LEU  30  -4.179  -1.361  -9.724
   69   1HD2  LEU  30          1HD2      LEU  30  -0.331  -0.986 -10.645
   70   2HD2  LEU  30          2HD2      LEU  30  -0.636  -2.110 -11.951
   71   3HD2  LEU  30          3HD2      LEU  30  -1.448  -0.562 -11.931
   72    H    LEU  31           H        LEU  31   1.190  -3.857  -8.560
   73    HA   LEU  31           HA       LEU  31   2.203  -3.704 -11.333
   74   1HB   LEU  31          1HB       LEU  31   3.253  -2.915  -8.779
   75   2HB   LEU  31          2HB       LEU  31   4.232  -4.268  -9.213
   76    HG   LEU  31           HG       LEU  31   5.153  -2.052  -9.957
   77   1HD1  LEU  31          1HD1      LEU  31   5.434  -4.334 -11.255
   78   2HD1  LEU  31          2HD1      LEU  31   4.414  -3.584 -12.464
   79   3HD1  LEU  31          3HD1      LEU  31   5.953  -2.853 -12.028
   80   1HD2  LEU  31          1HD2      LEU  31   2.708  -1.209 -10.457
   81   2HD2  LEU  31          2HD2      LEU  31   4.022  -0.631 -11.462
   82   3HD2  LEU  31          3HD2      LEU  31   2.962  -1.888 -12.055
   83    H    THR  32           H        THR  32   2.080  -6.174  -8.877
   84    HA   THR  32           HA       THR  32   3.696  -7.895 -10.619
   85    HB   THR  32           HB       THR  32   3.343  -8.024  -8.006
   86    HG1  THR  32           HG1      THR  32   4.443  -9.771  -8.455
   87   1HG2  THR  32          1HG2      THR  32   0.735  -8.580  -8.353
   88   2HG2  THR  32          2HG2      THR  32   1.329 -10.160  -8.837
   89   3HG2  THR  32          3HG2      THR  32   1.650  -9.550  -7.220
   90    H    ARG  33           H        ARG  33   0.240  -7.057 -10.256
   91    HA   ARG  33           HA       ARG  33  -0.514  -9.365 -11.876
   92   1HB   ARG  33          1HB       ARG  33  -2.680  -8.765 -11.307
   93   2HB   ARG  33          2HB       ARG  33  -1.810  -8.029  -9.986
   94   1HG   ARG  33          1HG       ARG  33  -3.009  -6.200 -10.458
   95   2HG   ARG  33          2HG       ARG  33  -1.832  -5.922 -11.727
   96   1HD   ARG  33          1HD       ARG  33  -3.347  -7.045 -13.369
   97   2HD   ARG  33          2HD       ARG  33  -4.453  -7.456 -12.063
   98    HE   ARG  33           HE       ARG  33  -3.657  -4.655 -12.684
   99   1HH1  ARG  33          1HH1      ARG  33  -6.177  -6.973 -12.188
  100   2HH1  ARG  33          2HH1      ARG  33  -7.465  -5.846 -12.174
  101   1HH2  ARG  33          1HH2      ARG  33  -5.315  -3.114 -12.707
  102   2HH2  ARG  33          2HH2      ARG  33  -6.963  -3.568 -12.535
  103    H    GLN  34           H        GLN  34   0.840  -6.372 -12.559
  104    HA   GLN  34           HA       GLN  34  -0.225  -6.379 -15.350
  105   1HB   GLN  34          1HB       GLN  34   0.050  -4.085 -15.331
  106   2HB   GLN  34          2HB       GLN  34  -0.469  -4.420 -13.694
  107   1HG   GLN  34          1HG       GLN  34   1.256  -3.102 -13.065
  108   2HG   GLN  34          2HG       GLN  34   2.245  -4.525 -13.316
  109   1HE2  GLN  34          2HE2      GLN  34   0.776  -2.267 -15.700
  110   2HE2  GLN  34          1HE2      GLN  34   2.262  -1.906 -16.423
  111    H    ARG  35           H        ARG  35   2.634  -6.620 -13.344
  112    HA   ARG  35           HA       ARG  35   4.319  -6.802 -15.784
  113   1HB   ARG  35          1HB       ARG  35   4.812  -5.397 -13.540
  114   2HB   ARG  35          2HB       ARG  35   5.410  -6.929 -12.965
  115   1HG   ARG  35          1HG       ARG  35   7.350  -5.987 -13.918
  116   2HG   ARG  35          2HG       ARG  35   6.773  -6.982 -15.235
  117   1HD   ARG  35          1HD       ARG  35   6.539  -5.143 -16.576
  118   2HD   ARG  35          2HD       ARG  35   5.438  -4.405 -15.449
  119    HE   ARG  35           HE       ARG  35   8.434  -4.234 -15.319
  120   1HH1  ARG  35          1HH1      ARG  35   5.309  -2.809 -14.662
  121   2HH1  ARG  35          2HH1      ARG  35   5.954  -1.351 -14.066
  122   1HH2  ARG  35          1HH2      ARG  35   9.297  -2.360 -14.543
  123   2HH2  ARG  35          2HH2      ARG  35   8.296  -1.085 -14.005
  124    H    TYR  36           H        TYR  36   3.509  -8.893 -12.885
  125    HA   TYR  36           HA       TYR  36   5.128 -10.991 -14.159
  126   1HB   TYR  36          1HB       TYR  36   3.782 -10.482 -11.482
  127   2HB   TYR  36          2HB       TYR  36   3.985 -12.125 -11.999
  128    HD1  TYR  36           HD1      TYR  36   5.766  -8.940 -11.413
  129    HD2  TYR  36           HD2      TYR  36   6.217 -13.130 -11.985
  130    HE1  TYR  36           HE1      TYR  36   8.125  -8.760 -10.809
  131    HE2  TYR  36           HE2      TYR  36   8.574 -12.960 -11.381
  132    HH   TYR  36           HH       TYR  36  10.308 -11.516 -10.937
  133   1HN   NH2  37          1HN       NH2  37   3.248 -10.165 -15.832
  134   2HN   NH2  37          2HN       NH2  37   1.944 -11.246 -15.944
  Start of MODEL    8
    1   1H    ACE  23          1HA       ACE  23  -3.010   0.719   0.479
    2   2H    ACE  23          2HA       ACE  23  -1.749   1.724   1.185
    3   3H    ACE  23          3HA       ACE  23  -1.768  -0.018   1.495
    4    H    LEU  24           H        LEU  24   0.550   0.649   0.606
    5    HA   LEU  24           HA       LEU  24   1.032   1.141  -2.088
    6   1HB   LEU  24          1HB       LEU  24   2.749   1.232  -0.268
    7   2HB   LEU  24          2HB       LEU  24   2.644  -0.504  -0.077
    8    HG   LEU  24           HG       LEU  24   3.624  -0.857  -2.316
    9   1HD1  LEU  24          1HD1      LEU  24   3.223   2.144  -2.540
   10   2HD1  LEU  24          2HD1      LEU  24   4.556   1.408  -3.402
   11   3HD1  LEU  24          3HD1      LEU  24   2.914   0.892  -3.724
   12   1HD2  LEU  24          1HD2      LEU  24   5.125  -0.485  -0.342
   13   2HD2  LEU  24          2HD2      LEU  24   5.857   0.049  -1.842
   14   3HD2  LEU  24          3HD2      LEU  24   5.183   1.226  -0.726
   15    H    ARG  25           H        ARG  25  -0.293  -1.443  -0.795
   16    HA   ARG  25           HA       ARG  25   0.613  -3.531  -2.605
   17   1HB   ARG  25          1HB       ARG  25  -1.455  -3.270  -0.453
   18   2HB   ARG  25          2HB       ARG  25  -2.077  -4.203  -1.783
   19   1HG   ARG  25          1HG       ARG  25  -1.000  -5.753  -0.335
   20   2HG   ARG  25          2HG       ARG  25  -0.019  -5.625  -1.771
   21   1HD   ARG  25          1HD       ARG  25   1.736  -5.047  -0.493
   22   2HD   ARG  25          2HD       ARG  25   0.949  -3.540  -0.055
   23    HE   ARG  25           HE       ARG  25  -0.298  -4.910   1.685
   24   1HH1  ARG  25          1HH1      ARG  25   2.943  -5.660   0.671
   25   2HH1  ARG  25          2HH1      ARG  25   3.384  -6.441   2.119
   26   1HH2  ARG  25          1HH2      ARG  25   0.245  -5.927   3.626
   27   2HH2  ARG  25          2HH2      ARG  25   1.806  -6.582   3.859
   28    H    HIS  26           H        HIS  26  -1.977  -1.174  -2.487
   29    HA   HIS  26           HA       HIS  26  -3.410  -1.770  -4.701
   30   1HB   HIS  26          1HB       HIS  26  -3.695   0.287  -3.202
   31   2HB   HIS  26          2HB       HIS  26  -2.473   1.079  -4.191
   32    HD1  HIS  26           HD1      HIS  26  -3.229   1.773  -6.558
   33    HD2  HIS  26           HD2      HIS  26  -6.028  -0.473  -4.469
   34    HE1  HIS  26           HE1      HIS  26  -5.393   1.808  -7.805
   35    H    TYR  27           H        TYR  27  -0.209  -0.548  -4.617
   36    HA   TYR  27           HA       TYR  27  -0.042  -0.425  -7.584
   37   1HB   TYR  27          1HB       TYR  27   0.314   1.707  -6.501
   38   2HB   TYR  27          2HB       TYR  27   1.412   0.996  -5.345
   39    HD1  TYR  27           HD1      TYR  27   1.073   2.196  -8.814
   40    HD2  TYR  27           HD2      TYR  27   3.770   0.656  -5.895
   41    HE1  TYR  27           HE1      TYR  27   2.979   2.895 -10.195
   42    HE2  TYR  27           HE2      TYR  27   5.662   1.360  -7.287
   43    HH   TYR  27           HH       TYR  27   5.831   1.808 -10.087
   44    H    LEU  28           H        LEU  28   1.291  -2.135  -4.905
   45    HA   LEU  28           HA       LEU  28   3.570  -3.107  -6.497
   46   1HB   LEU  28          1HB       LEU  28   3.335  -2.584  -3.886
   47   2HB   LEU  28          2HB       LEU  28   2.733  -4.202  -3.839
   48    HG   LEU  28           HG       LEU  28   4.848  -4.905  -5.225
   49   1HD1  LEU  28          1HD1      LEU  28   5.656  -2.118  -4.268
   50   2HD1  LEU  28          2HD1      LEU  28   6.821  -3.323  -4.789
   51   3HD1  LEU  28          3HD1      LEU  28   5.642  -2.707  -5.925
   52   1HD2  LEU  28          1HD2      LEU  28   5.173  -3.918  -2.352
   53   2HD2  LEU  28          2HD2      LEU  28   4.563  -5.493  -2.838
   54   3HD2  LEU  28          3HD2      LEU  28   6.235  -5.070  -3.142
   55    H    ASN  29           H        ASN  29   0.624  -3.953  -5.112
   56    HA   ASN  29           HA       ASN  29   0.615  -6.745  -5.858
   57   1HB   ASN  29          1HB       ASN  29  -0.736  -5.670  -3.954
   58   2HB   ASN  29          2HB       ASN  29  -1.737  -4.946  -5.202
   59   1HD2  ASN  29          2HD2      ASN  29  -2.790  -6.548  -6.729
   60   2HD2  ASN  29          1HD2      ASN  29  -3.293  -8.017  -6.040
   61    H    LEU  30           H        LEU  30  -0.667  -3.748  -7.125
   62    HA   LEU  30           HA       LEU  30  -1.897  -5.045  -9.410
   63   1HB   LEU  30          1HB       LEU  30  -2.568  -2.883  -8.393
   64   2HB   LEU  30          2HB       LEU  30  -1.069  -2.176  -8.901
   65    HG   LEU  30           HG       LEU  30  -2.530  -3.514 -11.155
   66   1HD1  LEU  30          1HD1      LEU  30  -3.722  -1.052  -9.812
   67   2HD1  LEU  30          2HD1      LEU  30  -4.207  -1.684 -11.378
   68   3HD1  LEU  30          3HD1      LEU  30  -4.477  -2.633  -9.929
   69   1HD2  LEU  30          1HD2      LEU  30  -1.159  -0.831 -10.695
   70   2HD2  LEU  30          2HD2      LEU  30  -0.607  -2.173 -11.692
   71   3HD2  LEU  30          3HD2      LEU  30  -1.985  -1.213 -12.196
   72    H    LEU  31           H        LEU  31   1.253  -3.987  -8.475
   73    HA   LEU  31           HA       LEU  31   2.277  -3.707 -11.196
   74   1HB   LEU  31          1HB       LEU  31   3.336  -3.238  -8.551
   75   2HB   LEU  31          2HB       LEU  31   4.355  -4.456  -9.217
   76    HG   LEU  31           HG       LEU  31   5.281  -2.251  -9.759
   77   1HD1  LEU  31          1HD1      LEU  31   5.321  -4.103 -11.551
   78   2HD1  LEU  31          2HD1      LEU  31   4.035  -3.231 -12.365
   79   3HD1  LEU  31          3HD1      LEU  31   5.589  -2.465 -12.122
   80   1HD2  LEU  31          1HD2      LEU  31   2.454  -1.564 -10.339
   81   2HD2  LEU  31          2HD2      LEU  31   3.777  -0.547  -9.846
   82   3HD2  LEU  31          3HD2      LEU  31   3.581  -0.952 -11.541
   83    H    THR  32           H        THR  32   2.218  -6.292  -8.822
   84    HA   THR  32           HA       THR  32   3.708  -8.017 -10.668
   85    HB   THR  32           HB       THR  32   3.435  -8.251  -8.091
   86    HG1  THR  32           HG1      THR  32   4.303 -10.139  -8.611
   87   1HG2  THR  32          1HG2      THR  32   0.749  -8.567  -8.405
   88   2HG2  THR  32          2HG2      THR  32   1.215 -10.205  -8.815
   89   3HG2  THR  32          3HG2      THR  32   1.603  -9.541  -7.236
   90    H    ARG  33           H        ARG  33   0.341  -7.202 -10.062
   91    HA   ARG  33           HA       ARG  33  -0.733  -9.290 -11.728
   92   1HB   ARG  33          1HB       ARG  33  -1.893  -6.585 -10.896
   93   2HB   ARG  33          2HB       ARG  33  -2.804  -7.759 -11.798
   94   1HG   ARG  33          1HG       ARG  33  -1.583  -8.899  -9.315
   95   2HG   ARG  33          2HG       ARG  33  -2.657  -7.576  -9.006
   96   1HD   ARG  33          1HD       ARG  33  -4.096  -9.409  -8.958
   97   2HD   ARG  33          2HD       ARG  33  -4.386  -8.784 -10.585
   98    HE   ARG  33           HE       ARG  33  -2.404 -10.382 -11.160
   99   1HH1  ARG  33          1HH1      ARG  33  -5.005 -11.029  -8.967
  100   2HH1  ARG  33          2HH1      ARG  33  -4.938 -12.725  -9.142
  101   1HH2  ARG  33          1HH2      ARG  33  -2.270 -12.586 -11.440
  102   2HH2  ARG  33          2HH2      ARG  33  -3.340 -13.646 -10.627
  103    H    GLN  34           H        GLN  34   0.545  -6.142 -12.372
  104    HA   GLN  34           HA       GLN  34  -0.381  -6.302 -15.209
  105   1HB   GLN  34          1HB       GLN  34  -0.068  -4.003 -15.301
  106   2HB   GLN  34          2HB       GLN  34  -0.616  -4.270 -13.659
  107   1HG   GLN  34          1HG       GLN  34   1.193  -2.894 -13.154
  108   2HG   GLN  34          2HG       GLN  34   2.067  -4.411 -13.195
  109   1HE2  GLN  34          2HE2      GLN  34   0.906  -2.041 -15.644
  110   2HE2  GLN  34          1HE2      GLN  34   2.368  -2.052 -16.509
  111    H    ARG  35           H        ARG  35   2.469  -6.568 -13.293
  112    HA   ARG  35           HA       ARG  35   4.115  -6.648 -15.751
  113   1HB   ARG  35          1HB       ARG  35   4.657  -5.250 -13.570
  114   2HB   ARG  35          2HB       ARG  35   5.212  -6.766 -12.903
  115   1HG   ARG  35          1HG       ARG  35   7.121  -5.601 -13.812
  116   2HG   ARG  35          2HG       ARG  35   6.814  -6.993 -14.832
  117   1HD   ARG  35          1HD       ARG  35   5.711  -5.505 -16.550
  118   2HD   ARG  35          2HD       ARG  35   5.734  -4.199 -15.408
  119    HE   ARG  35           HE       ARG  35   8.016  -3.848 -15.753
  120   1HH1  ARG  35          1HH1      ARG  35   6.895  -6.700 -17.288
  121   2HH1  ARG  35          2HH1      ARG  35   8.242  -6.913 -18.327
  122   1HH2  ARG  35          1HH2      ARG  35   9.855  -4.025 -17.028
  123   2HH2  ARG  35          2HH2      ARG  35  10.021  -5.307 -18.142
  124    H    TYR  36           H        TYR  36   3.418  -8.897 -12.992
  125    HA   TYR  36           HA       TYR  36   5.203 -10.828 -14.271
  126   1HB   TYR  36          1HB       TYR  36   3.570 -10.612 -11.734
  127   2HB   TYR  36          2HB       TYR  36   3.693 -12.205 -12.427
  128    HD1  TYR  36           HD1      TYR  36   5.616  -9.300 -11.230
  129    HD2  TYR  36           HD2      TYR  36   5.820 -13.399 -12.363
  130    HE1  TYR  36           HE1      TYR  36   7.880  -9.412 -10.364
  131    HE2  TYR  36           HE2      TYR  36   8.094 -13.521 -11.493
  132    HH   TYR  36           HH       TYR  36   9.446 -11.095  -9.539
  133   1HN   NH2  37          1HN       NH2  37   1.998  -9.688 -14.514
  134   2HN   NH2  37          2HN       NH2  37   1.390 -10.907 -15.521
  Start of MODEL    9
    1   1H    ACE  23          1HA       ACE  23  -1.813  -0.203   1.502
    2   2H    ACE  23          2HA       ACE  23  -3.091   0.490   0.503
    3   3H    ACE  23          3HA       ACE  23  -1.895   1.544   1.245
    4    H    LEU  24           H        LEU  24   0.482   0.448   0.650
    5    HA   LEU  24           HA       LEU  24   0.882   1.092  -2.033
    6   1HB   LEU  24          1HB       LEU  24   2.488   1.202  -0.021
    7   2HB   LEU  24          2HB       LEU  24   2.665  -0.522  -0.120
    8    HG   LEU  24           HG       LEU  24   4.426   1.207  -1.168
    9   1HD1  LEU  24          1HD1      LEU  24   3.641  -1.550  -1.907
   10   2HD1  LEU  24          2HD1      LEU  24   4.662  -0.733  -3.082
   11   3HD1  LEU  24          3HD1      LEU  24   5.193  -0.902  -1.425
   12   1HD2  LEU  24          1HD2      LEU  24   2.639   2.216  -2.731
   13   2HD2  LEU  24          2HD2      LEU  24   4.164   1.765  -3.454
   14   3HD2  LEU  24          3HD2      LEU  24   2.767   0.727  -3.659
   15    H    ARG  25           H        ARG  25  -0.290  -1.602  -0.793
   16    HA   ARG  25           HA       ARG  25   0.718  -3.558  -2.705
   17   1HB   ARG  25          1HB       ARG  25  -1.385  -3.587  -0.563
   18   2HB   ARG  25          2HB       ARG  25  -1.899  -4.461  -1.979
   19   1HG   ARG  25          1HG       ARG  25  -0.751  -6.022  -0.601
   20   2HG   ARG  25          2HG       ARG  25   0.225  -5.732  -2.018
   21   1HD   ARG  25          1HD       ARG  25   1.907  -5.125  -0.711
   22   2HD   ARG  25          2HD       ARG  25   1.021  -3.698  -0.184
   23    HE   ARG  25           HE       ARG  25  -0.148  -5.315   1.454
   24   1HH1  ARG  25          1HH1      ARG  25   3.165  -5.590   0.489
   25   2HH1  ARG  25          2HH1      ARG  25   3.675  -6.421   1.887
   26   1HH2  ARG  25          1HH2      ARG  25   0.470  -6.399   3.343
   27   2HH2  ARG  25          2HH2      ARG  25   2.089  -6.885   3.563
   28    H    HIS  26           H        HIS  26  -1.879  -1.257  -2.497
   29    HA   HIS  26           HA       HIS  26  -3.357  -2.036  -4.701
   30   1HB   HIS  26          1HB       HIS  26  -3.726  -0.028  -3.057
   31   2HB   HIS  26          2HB       HIS  26  -2.811   0.898  -4.249
   32    HD1  HIS  26           HD1      HIS  26  -3.974   1.235  -6.543
   33    HD2  HIS  26           HD2      HIS  26  -6.049  -1.178  -3.884
   34    HE1  HIS  26           HE1      HIS  26  -6.266   0.843  -7.439
   35    H    TYR  27           H        TYR  27  -0.228  -0.729  -4.555
   36    HA   TYR  27           HA       TYR  27  -0.116  -0.389  -7.512
   37   1HB   TYR  27          1HB       TYR  27   0.077   1.720  -6.292
   38   2HB   TYR  27          2HB       TYR  27   1.343   1.050  -5.278
   39    HD1  TYR  27           HD1      TYR  27   0.531   1.746  -8.836
   40    HD2  TYR  27           HD2      TYR  27   3.592   1.357  -5.912
   41    HE1  TYR  27           HE1      TYR  27   2.192   2.521 -10.480
   42    HE2  TYR  27           HE2      TYR  27   5.255   2.131  -7.556
   43    HH   TYR  27           HH       TYR  27   4.794   2.210 -10.767
   44    H    LEU  28           H        LEU  28   1.262  -2.093  -4.912
   45    HA   LEU  28           HA       LEU  28   3.671  -2.825  -6.410
   46   1HB   LEU  28          1HB       LEU  28   3.162  -2.402  -3.782
   47   2HB   LEU  28          2HB       LEU  28   2.800  -4.084  -3.826
   48    HG   LEU  28           HG       LEU  28   5.214  -3.486  -3.168
   49   1HD1  LEU  28          1HD1      LEU  28   4.811  -5.289  -5.597
   50   2HD1  LEU  28          2HD1      LEU  28   6.216  -5.308  -4.552
   51   3HD1  LEU  28          3HD1      LEU  28   4.647  -5.755  -3.912
   52   1HD2  LEU  28          1HD2      LEU  28   5.283  -1.688  -5.122
   53   2HD2  LEU  28          2HD2      LEU  28   6.735  -2.560  -4.683
   54   3HD2  LEU  28          3HD2      LEU  28   5.819  -3.043  -6.097
   55    H    ASN  29           H        ASN  29   0.675  -3.974  -5.183
   56    HA   ASN  29           HA       ASN  29   1.015  -6.674  -6.212
   57   1HB   ASN  29          1HB       ASN  29  -0.360  -6.073  -4.234
   58   2HB   ASN  29          2HB       ASN  29  -1.501  -5.286  -5.318
   59   1HD2  ASN  29          2HD2      ASN  29  -2.568  -6.569  -6.891
   60   2HD2  ASN  29          1HD2      ASN  29  -2.692  -8.268  -6.711
   61    H    LEU  30           H        LEU  30  -0.679  -3.709  -7.154
   62    HA   LEU  30           HA       LEU  30  -1.944  -4.807  -9.467
   63   1HB   LEU  30          1HB       LEU  30  -2.463  -2.611  -8.406
   64   2HB   LEU  30          2HB       LEU  30  -0.898  -2.008  -8.862
   65    HG   LEU  30           HG       LEU  30  -1.472  -2.248 -11.294
   66   1HD1  LEU  30          1HD1      LEU  30  -4.096  -3.304 -10.155
   67   2HD1  LEU  30          2HD1      LEU  30  -4.011  -2.626 -11.771
   68   3HD1  LEU  30          3HD1      LEU  30  -3.066  -4.042 -11.374
   69   1HD2  LEU  30          1HD2      LEU  30  -3.535  -0.664  -9.689
   70   2HD2  LEU  30          2HD2      LEU  30  -1.937  -0.098 -10.144
   71   3HD2  LEU  30          3HD2      LEU  30  -3.141  -0.395 -11.382
   72    H    LEU  31           H        LEU  31   1.223  -3.761  -8.644
   73    HA   LEU  31           HA       LEU  31   2.297  -3.663 -11.348
   74   1HB   LEU  31          1HB       LEU  31   3.247  -3.099  -8.653
   75   2HB   LEU  31          2HB       LEU  31   4.300  -4.324  -9.260
   76    HG   LEU  31           HG       LEU  31   5.258  -2.142  -9.766
   77   1HD1  LEU  31          1HD1      LEU  31   5.415  -3.929 -11.568
   78   2HD1  LEU  31          2HD1      LEU  31   4.092  -3.133 -12.406
   79   3HD1  LEU  31          3HD1      LEU  31   5.604  -2.286 -12.147
   80   1HD2  LEU  31          1HD2      LEU  31   2.505  -1.480 -10.847
   81   2HD2  LEU  31          2HD2      LEU  31   3.471  -0.607  -9.677
   82   3HD2  LEU  31          3HD2      LEU  31   3.918  -0.587 -11.375
   83    H    THR  32           H        THR  32   2.154  -6.122  -8.822
   84    HA   THR  32           HA       THR  32   3.631  -7.978 -10.547
   85    HB   THR  32           HB       THR  32   3.220  -8.091  -7.952
   86    HG1  THR  32           HG1      THR  32   4.187  -9.935  -8.329
   87   1HG2  THR  32          1HG2      THR  32   0.554  -8.614  -8.451
   88   2HG2  THR  32          2HG2      THR  32   1.194 -10.226  -8.709
   89   3HG2  THR  32          3HG2      THR  32   1.399  -9.431  -7.159
   90    H    ARG  33           H        ARG  33   0.250  -7.143 -10.082
   91    HA   ARG  33           HA       ARG  33  -0.747  -9.264 -11.739
   92   1HB   ARG  33          1HB       ARG  33  -1.886  -6.618 -10.751
   93   2HB   ARG  33          2HB       ARG  33  -2.830  -7.647 -11.793
   94   1HG   ARG  33          1HG       ARG  33  -1.549  -8.854  -9.325
   95   2HG   ARG  33          2HG       ARG  33  -2.949  -7.836  -9.118
   96   1HD   ARG  33          1HD       ARG  33  -4.335  -9.494  -9.822
   97   2HD   ARG  33          2HD       ARG  33  -3.492  -9.696 -11.322
   98    HE   ARG  33           HE       ARG  33  -2.857 -11.026  -8.719
   99   1HH1  ARG  33          1HH1      ARG  33  -2.466 -10.872 -12.152
  100   2HH1  ARG  33          2HH1      ARG  33  -1.735 -12.403 -12.304
  101   1HH2  ARG  33          1HH2      ARG  33  -1.891 -13.042  -8.831
  102   2HH2  ARG  33          2HH2      ARG  33  -1.389 -13.686 -10.334
  103    H    GLN  34           H        GLN  34   0.662  -6.220 -12.396
  104    HA   GLN  34           HA       GLN  34  -0.320  -6.309 -15.225
  105   1HB   GLN  34          1HB       GLN  34   1.121  -4.153 -13.649
  106   2HB   GLN  34          2HB       GLN  34   0.679  -3.982 -15.335
  107   1HG   GLN  34          1HG       GLN  34  -1.592  -4.831 -13.588
  108   2HG   GLN  34          2HG       GLN  34  -0.898  -3.287 -13.155
  109   1HE2  GLN  34          2HE2      GLN  34  -1.433  -4.814 -16.395
  110   2HE2  GLN  34          1HE2      GLN  34  -2.318  -3.488 -16.970
  111    H    ARG  35           H        ARG  35   2.559  -6.630 -13.301
  112    HA   ARG  35           HA       ARG  35   4.171  -6.819 -15.760
  113   1HB   ARG  35          1HB       ARG  35   4.561  -5.511 -13.353
  114   2HB   ARG  35          2HB       ARG  35   5.402  -6.991 -13.065
  115   1HG   ARG  35          1HG       ARG  35   6.943  -5.312 -14.047
  116   2HG   ARG  35          2HG       ARG  35   6.649  -6.489 -15.309
  117   1HD   ARG  35          1HD       ARG  35   4.570  -4.344 -15.286
  118   2HD   ARG  35          2HD       ARG  35   6.167  -3.678 -15.457
  119    HE   ARG  35           HE       ARG  35   5.007  -5.837 -17.212
  120   1HH1  ARG  35          1HH1      ARG  35   6.995  -2.995 -16.873
  121   2HH1  ARG  35          2HH1      ARG  35   7.396  -2.934 -18.534
  122   1HH2  ARG  35          1HH2      ARG  35   5.515  -5.750 -19.383
  123   2HH2  ARG  35          2HH2      ARG  35   6.539  -4.521 -19.984
  124    H    TYR  36           H        TYR  36   3.386  -8.897 -12.862
  125    HA   TYR  36           HA       TYR  36   5.008 -11.005 -14.093
  126   1HB   TYR  36          1HB       TYR  36   3.534 -10.523 -11.501
  127   2HB   TYR  36          2HB       TYR  36   3.565 -12.160 -12.061
  128    HD1  TYR  36           HD1      TYR  36   5.618  -9.257 -11.153
  129    HD2  TYR  36           HD2      TYR  36   5.686 -13.404 -12.090
  130    HE1  TYR  36           HE1      TYR  36   7.926  -9.370 -10.408
  131    HE2  TYR  36           HE2      TYR  36   8.012 -13.530 -11.341
  132    HH   TYR  36           HH       TYR  36   9.622 -10.807  -9.836
  133   1HN   NH2  37          1HN       NH2  37   3.510 -10.416 -16.041
  134   2HN   NH2  37          2HN       NH2  37   2.122 -11.385 -16.223
  Start of MODEL   10
    1   1H    ACE  23          1HA       ACE  23  -3.006   0.777   0.533
    2   2H    ACE  23          2HA       ACE  23  -1.770   1.881   1.125
    3   3H    ACE  23          3HA       ACE  23  -1.673   0.158   1.511
    4    H    LEU  24           H        LEU  24   0.558   0.847   0.477
    5    HA   LEU  24           HA       LEU  24   0.867   1.255  -2.258
    6   1HB   LEU  24          1HB       LEU  24   2.668   1.508  -0.512
    7   2HB   LEU  24          2HB       LEU  24   2.682  -0.227  -0.289
    8    HG   LEU  24           HG       LEU  24   3.528  -0.548  -2.600
    9   1HD1  LEU  24          1HD1      LEU  24   3.042   2.448  -2.763
   10   2HD1  LEU  24          2HD1      LEU  24   4.316   1.738  -3.729
   11   3HD1  LEU  24          3HD1      LEU  24   2.659   1.203  -3.931
   12   1HD2  LEU  24          1HD2      LEU  24   5.107  -0.105  -0.681
   13   2HD2  LEU  24          2HD2      LEU  24   5.746   0.387  -2.238
   14   3HD2  LEU  24          3HD2      LEU  24   5.117   1.593  -1.125
   15    H    ARG  25           H        ARG  25  -0.275  -1.327  -0.792
   16    HA   ARG  25           HA       ARG  25   0.666  -3.434  -2.570
   17   1HB   ARG  25          1HB       ARG  25  -1.336  -3.232  -0.348
   18   2HB   ARG  25          2HB       ARG  25  -1.958  -4.218  -1.637
   19   1HG   ARG  25          1HG       ARG  25  -0.755  -5.683  -0.199
   20   2HG   ARG  25          2HG       ARG  25   0.148  -5.544  -1.685
   21   1HD   ARG  25          1HD       ARG  25   1.927  -4.840  -0.540
   22   2HD   ARG  25          2HD       ARG  25   1.085  -3.373  -0.056
   23    HE   ARG  25           HE       ARG  25   0.013  -4.882   1.740
   24   1HH1  ARG  25          1HH1      ARG  25   3.279  -5.168   0.610
   25   2HH1  ARG  25          2HH1      ARG  25   3.886  -5.882   2.038
   26   1HH2  ARG  25          1HH2      ARG  25   0.771  -5.804   3.666
   27   2HH2  ARG  25          2HH2      ARG  25   2.413  -6.235   3.836
   28    H    HIS  26           H        HIS  26  -1.989  -1.153  -2.438
   29    HA   HIS  26           HA       HIS  26  -3.506  -1.909  -4.563
   30   1HB   HIS  26          1HB       HIS  26  -3.866   0.171  -3.173
   31   2HB   HIS  26          2HB       HIS  26  -2.622   0.973  -4.127
   32    HD1  HIS  26           HD1      HIS  26  -3.290   1.619  -6.522
   33    HD2  HIS  26           HD2      HIS  26  -6.145  -0.621  -4.511
   34    HE1  HIS  26           HE1      HIS  26  -5.400   1.612  -7.858
   35    H    TYR  27           H        TYR  27  -0.311  -0.696  -4.642
   36    HA   TYR  27           HA       TYR  27  -0.248  -0.624  -7.618
   37   1HB   TYR  27          1HB       TYR  27   0.288   1.568  -6.750
   38   2HB   TYR  27          2HB       TYR  27   1.288   0.887  -5.484
   39    HD1  TYR  27           HD1      TYR  27   1.076   1.334  -9.173
   40    HD2  TYR  27           HD2      TYR  27   3.607   0.411  -5.863
   41    HE1  TYR  27           HE1      TYR  27   3.034   1.428 -10.632
   42    HE2  TYR  27           HE2      TYR  27   5.558   0.512  -7.341
   43    HH   TYR  27           HH       TYR  27   5.765   1.939 -10.018
   44    H    LEU  28           H        LEU  28   1.448  -2.056  -4.870
   45    HA   LEU  28           HA       LEU  28   3.587  -3.124  -6.525
   46   1HB   LEU  28          1HB       LEU  28   3.309  -2.444  -3.911
   47   2HB   LEU  28          2HB       LEU  28   2.912  -4.117  -3.780
   48    HG   LEU  28           HG       LEU  28   5.449  -3.210  -5.252
   49   1HD1  LEU  28          1HD1      LEU  28   5.203  -3.848  -2.271
   50   2HD1  LEU  28          2HD1      LEU  28   6.712  -3.606  -3.135
   51   3HD1  LEU  28          3HD1      LEU  28   5.584  -2.277  -2.959
   52   1HD2  LEU  28          1HD2      LEU  28   4.647  -5.827  -3.888
   53   2HD2  LEU  28          2HD2      LEU  28   4.773  -5.554  -5.619
   54   3HD2  LEU  28          3HD2      LEU  28   6.211  -5.523  -4.623
   55    H    ASN  29           H        ASN  29   0.641  -3.953  -5.015
   56    HA   ASN  29           HA       ASN  29   0.763  -6.731  -5.714
   57   1HB   ASN  29          1HB       ASN  29  -0.614  -5.699  -3.851
   58   2HB   ASN  29          2HB       ASN  29  -1.669  -5.042  -5.091
   59   1HD2  ASN  29          2HD2      ASN  29  -2.601  -6.653  -6.629
   60   2HD2  ASN  29          1HD2      ASN  29  -3.101  -8.127  -5.954
   61    H    LEU  30           H        LEU  30  -0.461  -3.780  -7.104
   62    HA   LEU  30           HA       LEU  30  -1.724  -5.174  -9.327
   63   1HB   LEU  30          1HB       LEU  30  -2.443  -3.023  -8.346
   64   2HB   LEU  30          2HB       LEU  30  -0.984  -2.282  -8.908
   65    HG   LEU  30           HG       LEU  30  -2.300  -3.724 -11.147
   66   1HD1  LEU  30          1HD1      LEU  30  -3.869  -1.528  -9.750
   67   2HD1  LEU  30          2HD1      LEU  30  -4.220  -2.133 -11.361
   68   3HD1  LEU  30          3HD1      LEU  30  -4.384  -3.192  -9.972
   69   1HD2  LEU  30          1HD2      LEU  30  -1.492  -0.823 -10.687
   70   2HD2  LEU  30          2HD2      LEU  30  -0.533  -2.064 -11.483
   71   3HD2  LEU  30          3HD2      LEU  30  -2.007  -1.480 -12.231
   72    H    LEU  31           H        LEU  31   1.400  -4.080  -8.422
   73    HA   LEU  31           HA       LEU  31   2.431  -3.758 -11.145
   74   1HB   LEU  31          1HB       LEU  31   3.481  -3.196  -8.572
   75   2HB   LEU  31          2HB       LEU  31   4.388  -4.604  -9.006
   76    HG   LEU  31           HG       LEU  31   5.485  -2.417  -9.608
   77   1HD1  LEU  31          1HD1      LEU  31   5.697  -4.642 -11.021
   78   2HD1  LEU  31          2HD1      LEU  31   4.789  -3.736 -12.222
   79   3HD1  LEU  31          3HD1      LEU  31   6.338  -3.131 -11.660
   80   1HD2  LEU  31          1HD2      LEU  31   3.148  -1.368 -10.224
   81   2HD2  LEU  31          2HD2      LEU  31   4.594  -0.862 -11.080
   82   3HD2  LEU  31          3HD2      LEU  31   3.485  -1.975 -11.838
   83    H    THR  32           H        THR  32   2.382  -6.390  -8.778
   84    HA   THR  32           HA       THR  32   3.765  -8.099 -10.695
   85    HB   THR  32           HB       THR  32   3.626  -8.403  -8.174
   86    HG1  THR  32           HG1      THR  32   4.307 -10.326  -8.899
   87   1HG2  THR  32          1HG2      THR  32   0.840  -8.462  -8.480
   88   2HG2  THR  32          2HG2      THR  32   1.228 -10.169  -8.442
   89   3HG2  THR  32          3HG2      THR  32   1.681  -9.132  -7.101
   90    H    ARG  33           H        ARG  33   0.467  -7.076 -10.160
   91    HA   ARG  33           HA       ARG  33  -0.697  -9.172 -11.792
   92   1HB   ARG  33          1HB       ARG  33  -1.729  -6.459 -10.894
   93   2HB   ARG  33          2HB       ARG  33  -2.701  -7.563 -11.823
   94   1HG   ARG  33          1HG       ARG  33  -1.321  -8.588  -9.335
   95   2HG   ARG  33          2HG       ARG  33  -2.750  -7.630  -9.140
   96   1HD   ARG  33          1HD       ARG  33  -4.142  -9.287 -10.076
   97   2HD   ARG  33          2HD       ARG  33  -2.935  -9.759 -11.233
   98    HE   ARG  33           HE       ARG  33  -1.716 -10.974  -9.561
   99   1HH1  ARG  33          1HH1      ARG  33  -4.911  -9.980  -8.662
  100   2HH1  ARG  33          2HH1      ARG  33  -5.094 -11.142  -7.433
  101   1HH2  ARG  33          1HH2      ARG  33  -1.908 -12.544  -7.967
  102   2HH2  ARG  33          2HH2      ARG  33  -3.329 -12.666  -7.027
  103    H    GLN  34           H        GLN  34   0.585  -6.010 -12.450
  104    HA   GLN  34           HA       GLN  34  -0.332  -6.238 -15.273
  105   1HB   GLN  34          1HB       GLN  34  -0.021  -3.887 -15.381
  106   2HB   GLN  34          2HB       GLN  34  -0.617  -4.171 -13.766
  107   1HG   GLN  34          1HG       GLN  34   1.143  -2.846 -13.120
  108   2HG   GLN  34          2HG       GLN  34   2.067  -4.326 -13.224
  109   1HE2  GLN  34          2HE2      GLN  34   1.834  -4.228 -16.331
  110   2HE2  GLN  34          1HE2      GLN  34   2.954  -3.018 -16.729
  111    H    ARG  35           H        ARG  35   2.453  -6.589 -13.320
  112    HA   ARG  35           HA       ARG  35   4.200  -6.569 -15.728
  113   1HB   ARG  35          1HB       ARG  35   4.675  -5.387 -13.411
  114   2HB   ARG  35          2HB       ARG  35   5.203  -6.969 -12.897
  115   1HG   ARG  35          1HG       ARG  35   7.158  -6.834 -14.108
  116   2HG   ARG  35          2HG       ARG  35   6.351  -6.204 -15.525
  117   1HD   ARG  35          1HD       ARG  35   6.146  -3.973 -14.213
  118   2HD   ARG  35          2HD       ARG  35   7.329  -4.629 -13.111
  119    HE   ARG  35           HE       ARG  35   7.699  -4.129 -16.049
  120   1HH1  ARG  35          1HH1      ARG  35   9.101  -4.679 -12.924
  121   2HH1  ARG  35          2HH1      ARG  35  10.693  -4.294 -13.415
  122   1HH2  ARG  35          1HH2      ARG  35   9.762  -3.638 -16.735
  123   2HH2  ARG  35          2HH2      ARG  35  11.073  -3.688 -15.645
  124    H    TYR  36           H        TYR  36   3.285  -8.889 -13.081
  125    HA   TYR  36           HA       TYR  36   4.875 -10.899 -14.539
  126   1HB   TYR  36          1HB       TYR  36   3.537 -10.639 -11.817
  127   2HB   TYR  36          2HB       TYR  36   3.673 -12.211 -12.523
  128    HD1  TYR  36           HD1      TYR  36   5.951 -13.201 -12.911
  129    HD2  TYR  36           HD2      TYR  36   5.483  -9.326 -11.221
  130    HE1  TYR  36           HE1      TYR  36   8.302 -13.211 -12.222
  131    HE2  TYR  36           HE2      TYR  36   7.821  -9.328 -10.537
  132    HH   TYR  36           HH       TYR  36   9.558 -11.015 -10.026
  133   1HN   NH2  37          1HN       NH2  37   2.110  -9.350 -15.030
  134   2HN   NH2  37          2HN       NH2  37   1.133 -10.582 -15.641
  Start of MODEL   11
    1   1H    ACE  23          1HA       ACE  23  -2.010   0.432   1.121
    2   2H    ACE  23          2HA       ACE  23  -3.180   1.031  -0.057
    3   3H    ACE  23          3HA       ACE  23  -2.020   2.141   0.666
    4    H    LEU  24           H        LEU  24   0.349   0.819   0.423
    5    HA   LEU  24           HA       LEU  24   0.982   1.169  -2.325
    6   1HB   LEU  24          1HB       LEU  24   2.488   1.470  -0.251
    7   2HB   LEU  24          2HB       LEU  24   2.554  -0.266  -0.126
    8    HG   LEU  24           HG       LEU  24   3.495  -0.115  -2.639
    9   1HD1  LEU  24          1HD1      LEU  24   4.068   2.701  -1.570
   10   2HD1  LEU  24          2HD1      LEU  24   4.716   2.001  -3.038
   11   3HD1  LEU  24          3HD1      LEU  24   3.003   2.323  -2.915
   12   1HD2  LEU  24          1HD2      LEU  24   4.799  -0.854  -0.646
   13   2HD2  LEU  24          2HD2      LEU  24   5.770   0.126  -1.729
   14   3HD2  LEU  24          3HD2      LEU  24   5.133   0.823  -0.249
   15    H    ARG  25           H        ARG  25  -0.437  -1.292  -0.889
   16    HA   ARG  25           HA       ARG  25   0.678  -3.499  -2.457
   17   1HB   ARG  25          1HB       ARG  25  -1.485  -3.188  -0.416
   18   2HB   ARG  25          2HB       ARG  25  -2.016  -4.222  -1.711
   19   1HG   ARG  25          1HG       ARG  25  -0.957  -5.664  -0.178
   20   2HG   ARG  25          2HG       ARG  25   0.121  -5.525  -1.541
   21   1HD   ARG  25          1HD       ARG  25   1.732  -4.786  -0.198
   22   2HD   ARG  25          2HD       ARG  25   0.816  -3.336   0.199
   23    HE   ARG  25           HE       ARG  25  -0.432  -4.884   1.853
   24   1HH1  ARG  25          1HH1      ARG  25   2.936  -5.106   1.077
   25   2HH1  ARG  25          2HH1      ARG  25   3.400  -5.823   2.550
   26   1HH2  ARG  25          1HH2      ARG  25   0.121  -5.825   3.842
   27   2HH2  ARG  25          2HH2      ARG  25   1.742  -6.239   4.182
   28    H    HIS  26           H        HIS  26  -1.742  -1.040  -2.746
   29    HA   HIS  26           HA       HIS  26  -2.999  -2.129  -5.054
   30   1HB   HIS  26          1HB       HIS  26  -3.700  -0.100  -3.473
   31   2HB   HIS  26          2HB       HIS  26  -2.811   0.858  -4.654
   32    HD1  HIS  26           HD1      HIS  26  -3.925   1.097  -6.948
   33    HD2  HIS  26           HD2      HIS  26  -5.807  -1.619  -4.432
   34    HE1  HIS  26           HE1      HIS  26  -6.102   0.407  -7.974
   35    H    TYR  27           H        TYR  27   0.092  -1.101  -4.592
   36    HA   TYR  27           HA       TYR  27   0.512  -0.551  -7.454
   37   1HB   TYR  27          1HB       TYR  27   0.693   1.350  -5.712
   38   2HB   TYR  27          2HB       TYR  27   2.147   0.525  -5.165
   39    HD1  TYR  27           HD1      TYR  27   0.568   2.249  -8.036
   40    HD2  TYR  27           HD2      TYR  27   4.192   0.676  -6.446
   41    HE1  TYR  27           HE1      TYR  27   1.824   3.364  -9.793
   42    HE2  TYR  27           HE2      TYR  27   5.448   1.789  -8.200
   43    HH   TYR  27           HH       TYR  27   4.963   3.983  -9.685
   44    H    LEU  28           H        LEU  28   1.617  -2.305  -4.677
   45    HA   LEU  28           HA       LEU  28   3.989  -3.272  -6.090
   46   1HB   LEU  28          1HB       LEU  28   3.364  -2.679  -3.485
   47   2HB   LEU  28          2HB       LEU  28   3.037  -4.364  -3.488
   48    HG   LEU  28           HG       LEU  28   5.659  -3.664  -4.810
   49   1HD1  LEU  28          1HD1      LEU  28   5.294  -3.097  -1.838
   50   2HD1  LEU  28          2HD1      LEU  28   6.835  -3.164  -2.676
   51   3HD1  LEU  28          3HD1      LEU  28   5.678  -1.918  -3.084
   52   1HD2  LEU  28          1HD2      LEU  28   4.944  -5.596  -2.561
   53   2HD2  LEU  28          2HD2      LEU  28   5.045  -5.993  -4.271
   54   3HD2  LEU  28          3HD2      LEU  28   6.489  -5.524  -3.391
   55    H    ASN  29           H        ASN  29   0.830  -4.120  -4.945
   56    HA   ASN  29           HA       ASN  29   1.108  -6.853  -5.968
   57   1HB   ASN  29          1HB       ASN  29   0.017  -6.254  -3.818
   58   2HB   ASN  29          2HB       ASN  29  -1.295  -5.544  -4.737
   59   1HD2  ASN  29          2HD2      ASN  29  -2.434  -6.995  -6.289
   60   2HD2  ASN  29          1HD2      ASN  29  -2.540  -8.653  -5.905
   61    H    LEU  30           H        LEU  30  -0.807  -3.929  -6.659
   62    HA   LEU  30           HA       LEU  30  -2.357  -5.173  -8.758
   63   1HB   LEU  30          1HB       LEU  30  -2.844  -3.022  -7.559
   64   2HB   LEU  30          2HB       LEU  30  -1.468  -2.336  -8.374
   65    HG   LEU  30           HG       LEU  30  -3.698  -3.547 -10.055
   66   1HD1  LEU  30          1HD1      LEU  30  -3.726  -0.806  -8.724
   67   2HD1  LEU  30          2HD1      LEU  30  -4.857  -1.299  -9.976
   68   3HD1  LEU  30          3HD1      LEU  30  -4.864  -2.102  -8.418
   69   1HD2  LEU  30          1HD2      LEU  30  -1.471  -1.537 -10.433
   70   2HD2  LEU  30          2HD2      LEU  30  -2.082  -2.747 -11.545
   71   3HD2  LEU  30          3HD2      LEU  30  -2.950  -1.247 -11.326
   72    H    LEU  31           H        LEU  31   0.790  -3.998  -8.466
   73    HA   LEU  31           HA       LEU  31   1.304  -3.788 -11.355
   74   1HB   LEU  31          1HB       LEU  31   2.324  -2.349  -9.638
   75   2HB   LEU  31          2HB       LEU  31   3.163  -3.717  -8.954
   76    HG   LEU  31           HG       LEU  31   3.697  -3.575 -11.840
   77   1HD1  LEU  31          1HD1      LEU  31   4.207  -1.028 -10.251
   78   2HD1  LEU  31          2HD1      LEU  31   4.804  -1.359 -11.873
   79   3HD1  LEU  31          3HD1      LEU  31   3.083  -1.201 -11.588
   80   1HD2  LEU  31          1HD2      LEU  31   5.283  -3.406  -9.256
   81   2HD2  LEU  31          2HD2      LEU  31   5.303  -4.669 -10.472
   82   3HD2  LEU  31          3HD2      LEU  31   6.083  -3.127 -10.787
   83    H    THR  32           H        THR  32   1.491  -6.353  -8.963
   84    HA   THR  32           HA       THR  32   3.425  -7.790 -10.629
   85    HB   THR  32           HB       THR  32   2.946  -8.113  -8.117
   86    HG1  THR  32           HG1      THR  32   4.064  -9.840  -8.711
   87   1HG2  THR  32          1HG2      THR  32   0.295  -8.677  -8.762
   88   2HG2  THR  32          2HG2      THR  32   0.988 -10.284  -8.812
   89   3HG2  THR  32          3HG2      THR  32   1.097  -9.315  -7.354
   90    H    ARG  33           H        ARG  33  -0.004  -7.352 -10.323
   91    HA   ARG  33           HA       ARG  33  -0.879  -9.421 -12.096
   92   1HB   ARG  33          1HB       ARG  33  -2.104  -6.767 -11.257
   93   2HB   ARG  33          2HB       ARG  33  -2.960  -7.978 -12.181
   94   1HG   ARG  33          1HG       ARG  33  -1.739  -9.357  -9.947
   95   2HG   ARG  33          2HG       ARG  33  -2.381  -7.874  -9.287
   96   1HD   ARG  33          1HD       ARG  33  -4.420  -9.032 -11.036
   97   2HD   ARG  33          2HD       ARG  33  -3.753 -10.299 -10.062
   98    HE   ARG  33           HE       ARG  33  -4.269  -9.111  -8.052
   99   1HH1  ARG  33          1HH1      ARG  33  -5.622  -7.756 -10.908
  100   2HH1  ARG  33          2HH1      ARG  33  -6.921  -6.957 -10.137
  101   1HH2  ARG  33          1HH2      ARG  33  -5.893  -8.060  -6.937
  102   2HH2  ARG  33          2HH2      ARG  33  -7.047  -7.093  -7.754
  103    H    GLN  34           H        GLN  34   0.469  -6.328 -12.623
  104    HA   GLN  34           HA       GLN  34  -0.224  -6.451 -15.531
  105   1HB   GLN  34          1HB       GLN  34  -0.172  -4.161 -15.549
  106   2HB   GLN  34          2HB       GLN  34  -0.773  -4.489 -13.937
  107   1HG   GLN  34          1HG       GLN  34   0.825  -2.992 -13.262
  108   2HG   GLN  34          2HG       GLN  34   1.914  -4.361 -13.374
  109   1HE2  GLN  34          2HE2      GLN  34   0.473  -2.166 -15.867
  110   2HE2  GLN  34          1HE2      GLN  34   1.968  -1.826 -16.571
  111    H    ARG  35           H        ARG  35   2.467  -6.503 -13.342
  112    HA   ARG  35           HA       ARG  35   4.352  -6.380 -15.614
  113   1HB   ARG  35          1HB       ARG  35   4.379  -5.113 -13.206
  114   2HB   ARG  35          2HB       ARG  35   5.244  -6.539 -12.744
  115   1HG   ARG  35          1HG       ARG  35   7.167  -5.758 -13.795
  116   2HG   ARG  35          2HG       ARG  35   6.305  -5.452 -15.284
  117   1HD   ARG  35          1HD       ARG  35   5.320  -3.324 -13.934
  118   2HD   ARG  35          2HD       ARG  35   6.690  -3.632 -12.919
  119    HE   ARG  35           HE       ARG  35   8.196  -3.088 -14.653
  120   1HH1  ARG  35          1HH1      ARG  35   4.903  -2.928 -15.642
  121   2HH1  ARG  35          2HH1      ARG  35   5.169  -1.932 -17.000
  122   1HH2  ARG  35          1HH2      ARG  35   8.668  -1.813 -16.456
  123   2HH2  ARG  35          2HH2      ARG  35   7.415  -1.296 -17.494
  124    H    TYR  36           H        TYR  36   3.460  -8.681 -12.987
  125    HA   TYR  36           HA       TYR  36   5.465 -10.558 -14.027
  126   1HB   TYR  36          1HB       TYR  36   3.535 -10.382 -11.675
  127   2HB   TYR  36          2HB       TYR  36   3.998 -11.942 -12.249
  128    HD1  TYR  36           HD1      TYR  36   5.959  -8.760 -11.930
  129    HD2  TYR  36           HD2      TYR  36   5.537 -12.797 -10.652
  130    HE1  TYR  36           HE1      TYR  36   8.002  -8.552 -10.608
  131    HE2  TYR  36           HE2      TYR  36   7.586 -12.581  -9.329
  132    HH   TYR  36           HH       TYR  36   9.789 -10.186  -9.731
  133   1HN   NH2  37          1HN       NH2  37   2.318  -9.438 -14.563
  134   2HN   NH2  37          2HN       NH2  37   1.743 -10.706 -15.522
  Start of MODEL   12
    1   1H    ACE  23          1HA       ACE  23  -2.228   0.022   1.251
    2   2H    ACE  23          2HA       ACE  23  -3.417   0.649   0.106
    3   3H    ACE  23          3HA       ACE  23  -2.281   1.751   0.878
    4    H    LEU  24           H        LEU  24   0.127   0.545   0.559
    5    HA   LEU  24           HA       LEU  24   0.761   1.052  -2.138
    6   1HB   LEU  24          1HB       LEU  24   2.360   1.338  -0.264
    7   2HB   LEU  24          2HB       LEU  24   2.247  -0.353   0.154
    8    HG   LEU  24           HG       LEU  24   3.414  -0.996  -1.923
    9   1HD1  LEU  24          1HD1      LEU  24   2.978   1.913  -2.582
   10   2HD1  LEU  24          2HD1      LEU  24   4.495   1.208  -3.104
   11   3HD1  LEU  24          3HD1      LEU  24   2.977   0.505  -3.632
   12   1HD2  LEU  24          1HD2      LEU  24   4.811   1.232  -0.386
   13   2HD2  LEU  24          2HD2      LEU  24   4.752  -0.456   0.083
   14   3HD2  LEU  24          3HD2      LEU  24   5.613   0.017  -1.367
   15    H    ARG  25           H        ARG  25  -0.648  -1.516  -0.893
   16    HA   ARG  25           HA       ARG  25   0.526  -3.594  -2.583
   17   1HB   ARG  25          1HB       ARG  25  -1.762  -3.470  -0.639
   18   2HB   ARG  25          2HB       ARG  25  -2.139  -4.452  -2.024
   19   1HG   ARG  25          1HG       ARG  25  -1.132  -5.914  -0.469
   20   2HG   ARG  25          2HG       ARG  25  -0.013  -5.698  -1.790
   21   1HD   ARG  25          1HD       ARG  25   1.544  -5.013  -0.315
   22   2HD   ARG  25          2HD       ARG  25   0.610  -3.576   0.031
   23    HE   ARG  25           HE       ARG  25  -0.722  -4.939   1.644
   24   1HH1  ARG  25          1HH1      ARG  25   2.549  -5.790   0.856
   25   2HH1  ARG  25          2HH1      ARG  25   2.864  -6.591   2.321
   26   1HH2  ARG  25          1HH2      ARG  25  -0.354  -6.004   3.622
   27   2HH2  ARG  25          2HH2      ARG  25   1.162  -6.721   3.940
   28    H    HIS  26           H        HIS  26  -2.076  -1.240  -2.755
   29    HA   HIS  26           HA       HIS  26  -3.162  -2.249  -5.142
   30   1HB   HIS  26          1HB       HIS  26  -4.079  -0.300  -3.617
   31   2HB   HIS  26          2HB       HIS  26  -3.108   0.748  -4.648
   32    HD1  HIS  26           HD1      HIS  26  -3.904   0.961  -7.103
   33    HD2  HIS  26           HD2      HIS  26  -6.039  -1.804  -4.861
   34    HE1  HIS  26           HE1      HIS  26  -5.910   0.238  -8.406
   35    H    TYR  27           H        TYR  27  -0.144  -0.946  -4.628
   36    HA   TYR  27           HA       TYR  27   0.185  -0.377  -7.530
   37   1HB   TYR  27          1HB       TYR  27   0.316   1.715  -6.301
   38   2HB   TYR  27          2HB       TYR  27   1.353   0.990  -5.085
   39    HD1  TYR  27           HD1      TYR  27   1.596   0.969  -8.846
   40    HD2  TYR  27           HD2      TYR  27   3.404   2.138  -5.167
   41    HE1  TYR  27           HE1      TYR  27   3.570   1.732 -10.055
   42    HE2  TYR  27           HE2      TYR  27   5.382   2.900  -6.394
   43    HH   TYR  27           HH       TYR  27   5.850   2.260  -9.736
   44    H    LEU  28           H        LEU  28   1.536  -2.081  -4.799
   45    HA   LEU  28           HA       LEU  28   3.928  -2.806  -6.308
   46   1HB   LEU  28          1HB       LEU  28   3.344  -2.344  -3.680
   47   2HB   LEU  28          2HB       LEU  28   3.165  -4.050  -3.718
   48    HG   LEU  28           HG       LEU  28   5.662  -2.509  -4.679
   49   1HD1  LEU  28          1HD1      LEU  28   5.138  -4.085  -2.125
   50   2HD1  LEU  28          2HD1      LEU  28   6.752  -3.661  -2.664
   51   3HD1  LEU  28          3HD1      LEU  28   5.603  -2.398  -2.269
   52   1HD2  LEU  28          1HD2      LEU  28   5.123  -5.521  -4.489
   53   2HD2  LEU  28          2HD2      LEU  28   5.469  -4.612  -5.947
   54   3HD2  LEU  28          3HD2      LEU  28   6.718  -4.837  -4.744
   55    H    ASN  29           H        ASN  29   0.875  -3.952  -5.125
   56    HA   ASN  29           HA       ASN  29   1.409  -6.666  -6.085
   57   1HB   ASN  29          1HB       ASN  29   0.008  -6.131  -4.095
   58   2HB   ASN  29          2HB       ASN  29  -1.194  -5.455  -5.185
   59   1HD2  ASN  29          2HD2      ASN  29  -2.109  -6.866  -6.841
   60   2HD2  ASN  29          1HD2      ASN  29  -2.144  -8.548  -6.600
   61    H    LEU  30           H        LEU  30  -0.423  -3.798  -6.998
   62    HA   LEU  30           HA       LEU  30  -1.732  -4.971  -9.263
   63   1HB   LEU  30          1HB       LEU  30  -2.296  -2.807  -8.187
   64   2HB   LEU  30          2HB       LEU  30  -0.782  -2.141  -8.701
   65    HG   LEU  30           HG       LEU  30  -2.945  -1.539 -10.042
   66   1HD1  LEU  30          1HD1      LEU  30  -0.341  -1.352 -10.744
   67   2HD1  LEU  30          2HD1      LEU  30  -0.866  -2.479 -11.982
   68   3HD1  LEU  30          3HD1      LEU  30  -1.640  -0.914 -11.835
   69   1HD2  LEU  30          1HD2      LEU  30  -3.660  -3.978 -10.291
   70   2HD2  LEU  30          2HD2      LEU  30  -3.705  -3.016 -11.756
   71   3HD2  LEU  30          3HD2      LEU  30  -2.392  -4.152 -11.498
   72    H    LEU  31           H        LEU  31   1.434  -3.839  -8.551
   73    HA   LEU  31           HA       LEU  31   2.416  -3.687 -11.250
   74   1HB   LEU  31          1HB       LEU  31   3.449  -3.081  -8.658
   75   2HB   LEU  31          2HB       LEU  31   4.370  -4.469  -9.089
   76    HG   LEU  31           HG       LEU  31   5.486  -2.328  -9.682
   77   1HD1  LEU  31          1HD1      LEU  31   5.884  -4.448 -11.014
   78   2HD1  LEU  31          2HD1      LEU  31   4.698  -3.874 -12.176
   79   3HD1  LEU  31          3HD1      LEU  31   6.183  -2.977 -11.924
   80   1HD2  LEU  31          1HD2      LEU  31   3.206  -1.194 -10.291
   81   2HD2  LEU  31          2HD2      LEU  31   4.628  -0.768 -11.224
   82   3HD2  LEU  31          3HD2      LEU  31   3.452  -1.873 -11.893
   83    H    THR  32           H        THR  32   2.256  -6.233  -8.861
   84    HA   THR  32           HA       THR  32   3.687  -8.035 -10.704
   85    HB   THR  32           HB       THR  32   3.540  -8.133  -8.093
   86    HG1  THR  32           HG1      THR  32   4.438 -10.039  -8.494
   87   1HG2  THR  32          1HG2      THR  32   0.820  -8.715  -8.404
   88   2HG2  THR  32          2HG2      THR  32   1.511 -10.324  -8.446
   89   3HG2  THR  32          3HG2      THR  32   1.768  -9.285  -7.055
   90    H    ARG  33           H        ARG  33   0.346  -7.168  -9.978
   91    HA   ARG  33           HA       ARG  33  -0.733  -9.339 -11.583
   92   1HB   ARG  33          1HB       ARG  33  -2.005  -6.709 -10.621
   93   2HB   ARG  33          2HB       ARG  33  -2.897  -7.959 -11.449
   94   1HG   ARG  33          1HG       ARG  33  -1.384  -8.905  -9.044
   95   2HG   ARG  33          2HG       ARG  33  -2.642  -7.763  -8.674
   96   1HD   ARG  33          1HD       ARG  33  -3.135 -10.269 -10.381
   97   2HD   ARG  33          2HD       ARG  33  -3.303 -10.245  -8.623
   98    HE   ARG  33           HE       ARG  33  -4.676  -8.147 -10.139
   99   1HH1  ARG  33          1HH1      ARG  33  -4.992 -11.169  -8.453
  100   2HH1  ARG  33          2HH1      ARG  33  -6.686 -11.087  -8.274
  101   1HH2  ARG  33          1HH2      ARG  33  -6.952  -7.998  -9.894
  102   2HH2  ARG  33          2HH2      ARG  33  -7.825  -9.246  -9.115
  103    H    GLN  34           H        GLN  34   0.558  -6.153 -12.272
  104    HA   GLN  34           HA       GLN  34  -0.577  -6.304 -15.019
  105   1HB   GLN  34          1HB       GLN  34  -0.236  -3.974 -15.124
  106   2HB   GLN  34          2HB       GLN  34  -0.775  -4.266 -13.479
  107   1HG   GLN  34          1HG       GLN  34   1.035  -3.063 -12.805
  108   2HG   GLN  34          2HG       GLN  34   2.014  -4.447 -13.207
  109   1HE2  GLN  34          2HE2      GLN  34   1.860  -4.259 -16.114
  110   2HE2  GLN  34          1HE2      GLN  34   2.650  -2.813 -16.527
  111    H    ARG  35           H        ARG  35   2.369  -6.603 -13.250
  112    HA   ARG  35           HA       ARG  35   3.933  -6.565 -15.789
  113   1HB   ARG  35          1HB       ARG  35   4.700  -5.278 -13.647
  114   2HB   ARG  35          2HB       ARG  35   5.098  -6.846 -12.981
  115   1HG   ARG  35          1HG       ARG  35   7.152  -6.140 -13.939
  116   2HG   ARG  35          2HG       ARG  35   6.506  -7.242 -15.124
  117   1HD   ARG  35          1HD       ARG  35   6.405  -5.557 -16.739
  118   2HD   ARG  35          2HD       ARG  35   5.494  -4.552 -15.647
  119    HE   ARG  35           HE       ARG  35   7.476  -3.630 -14.720
  120   1HH1  ARG  35          1HH1      ARG  35   8.091  -5.807 -17.322
  121   2HH1  ARG  35          2HH1      ARG  35   9.661  -5.219 -17.664
  122   1HH2  ARG  35          1HH2      ARG  35   9.519  -2.827 -15.068
  123   2HH2  ARG  35          2HH2      ARG  35  10.514  -3.468 -16.307
  124    H    TYR  36           H        TYR  36   3.289  -8.829 -12.987
  125    HA   TYR  36           HA       TYR  36   4.777 -10.875 -14.483
  126   1HB   TYR  36          1HB       TYR  36   3.566 -10.521 -11.728
  127   2HB   TYR  36          2HB       TYR  36   3.604 -12.130 -12.361
  128    HD1  TYR  36           HD1      TYR  36   5.900 -13.070 -13.123
  129    HD2  TYR  36           HD2      TYR  36   5.506  -9.418 -10.978
  130    HE1  TYR  36           HE1      TYR  36   8.272 -13.144 -12.561
  131    HE2  TYR  36           HE2      TYR  36   7.883  -9.486 -10.414
  132    HH   TYR  36           HH       TYR  36   9.798 -12.216 -10.793
  133   1HN   NH2  37          1HN       NH2  37   3.036 -10.053 -16.159
  134   2HN   NH2  37          2HN       NH2  37   1.623 -11.000 -16.252
  Start of MODEL   13
    1   1H    ACE  23          1HA       ACE  23  -1.760   1.580   1.246
    2   2H    ACE  23          2HA       ACE  23  -1.633  -0.152   1.576
    3   3H    ACE  23          3HA       ACE  23  -2.969   0.474   0.607
    4    H    LEU  24           H        LEU  24   0.599   0.539   0.588
    5    HA   LEU  24           HA       LEU  24   0.920   1.086  -2.124
    6   1HB   LEU  24          1HB       LEU  24   2.709   1.256  -0.349
    7   2HB   LEU  24          2HB       LEU  24   2.731  -0.489  -0.218
    8    HG   LEU  24           HG       LEU  24   3.611  -0.695  -2.520
    9   1HD1  LEU  24          1HD1      LEU  24   3.018   2.280  -2.597
   10   2HD1  LEU  24          2HD1      LEU  24   4.361   1.673  -3.542
   11   3HD1  LEU  24          3HD1      LEU  24   2.745   1.061  -3.825
   12   1HD2  LEU  24          1HD2      LEU  24   5.179  -0.295  -0.596
   13   2HD2  LEU  24          2HD2      LEU  24   5.806   0.295  -2.123
   14   3HD2  LEU  24          3HD2      LEU  24   5.138   1.423  -0.954
   15    H    ARG  25           H        ARG  25  -0.258  -1.557  -0.799
   16    HA   ARG  25           HA       ARG  25   0.716  -3.561  -2.693
   17   1HB   ARG  25          1HB       ARG  25  -1.319  -3.525  -0.483
   18   2HB   ARG  25          2HB       ARG  25  -1.868  -4.465  -1.844
   19   1HG   ARG  25          1HG       ARG  25  -0.643  -5.955  -0.425
   20   2HG   ARG  25          2HG       ARG  25   0.257  -5.724  -1.899
   21   1HD   ARG  25          1HD       ARG  25   2.012  -5.107  -0.683
   22   2HD   ARG  25          2HD       ARG  25   1.187  -3.618  -0.238
   23    HE   ARG  25           HE       ARG  25   0.050  -5.047   1.566
   24   1HH1  ARG  25          1HH1      ARG  25   3.307  -5.549   0.479
   25   2HH1  ARG  25          2HH1      ARG  25   3.843  -6.292   1.917
   26   1HH2  ARG  25          1HH2      ARG  25   0.719  -6.001   3.509
   27   2HH2  ARG  25          2HH2      ARG  25   2.328  -6.540   3.691
   28    H    HIS  26           H        HIS  26  -1.937  -1.300  -2.436
   29    HA   HIS  26           HA       HIS  26  -3.458  -2.021  -4.604
   30   1HB   HIS  26          1HB       HIS  26  -3.864  -0.027  -3.046
   31   2HB   HIS  26          2HB       HIS  26  -2.752   0.885  -4.065
   32    HD1  HIS  26           HD1      HIS  26  -3.619   1.476  -6.430
   33    HD2  HIS  26           HD2      HIS  26  -6.168  -0.951  -4.234
   34    HE1  HIS  26           HE1      HIS  26  -5.801   1.320  -7.622
   35    H    TYR  27           H        TYR  27  -0.301  -0.722  -4.579
   36    HA   TYR  27           HA       TYR  27  -0.286  -0.404  -7.544
   37   1HB   TYR  27          1HB       TYR  27   0.201   1.726  -6.529
   38   2HB   TYR  27          2HB       TYR  27   1.298   0.996  -5.365
   39    HD1  TYR  27           HD1      TYR  27   0.835   1.806  -8.936
   40    HD2  TYR  27           HD2      TYR  27   3.597   0.483  -5.974
   41    HE1  TYR  27           HE1      TYR  27   2.673   2.055 -10.536
   42    HE2  TYR  27           HE2      TYR  27   5.434   0.737  -7.587
   43    HH   TYR  27           HH       TYR  27   5.314   2.464 -10.268
   44    H    LEU  28           H        LEU  28   1.437  -2.047  -4.922
   45    HA   LEU  28           HA       LEU  28   3.573  -2.905  -6.705
   46   1HB   LEU  28          1HB       LEU  28   3.352  -2.420  -4.042
   47   2HB   LEU  28          2HB       LEU  28   3.051  -4.112  -4.043
   48    HG   LEU  28           HG       LEU  28   5.216  -4.341  -5.555
   49   1HD1  LEU  28          1HD1      LEU  28   5.594  -1.527  -4.420
   50   2HD1  LEU  28          2HD1      LEU  28   6.867  -2.457  -5.190
   51   3HD1  LEU  28          3HD1      LEU  28   5.475  -1.950  -6.120
   52   1HD2  LEU  28          1HD2      LEU  28   5.423  -3.501  -2.628
   53   2HD2  LEU  28          2HD2      LEU  28   5.251  -5.133  -3.258
   54   3HD2  LEU  28          3HD2      LEU  28   6.733  -4.242  -3.533
   55    H    ASN  29           H        ASN  29   0.672  -3.915  -5.215
   56    HA   ASN  29           HA       ASN  29   0.958  -6.665  -6.066
   57   1HB   ASN  29          1HB       ASN  29  -0.472  -5.848  -4.104
   58   2HB   ASN  29          2HB       ASN  29  -1.562  -5.156  -5.294
   59   1HD2  ASN  29          2HD2      ASN  29  -2.484  -6.640  -6.881
   60   2HD2  ASN  29          1HD2      ASN  29  -2.822  -8.234  -6.403
   61    H    LEU  30           H        LEU  30  -0.690  -3.753  -7.114
   62    HA   LEU  30           HA       LEU  30  -1.909  -4.856  -9.451
   63   1HB   LEU  30          1HB       LEU  30  -2.474  -2.709  -8.423
   64   2HB   LEU  30          2HB       LEU  30  -0.901  -2.071  -8.779
   65    HG   LEU  30           HG       LEU  30  -2.641  -3.067 -11.080
   66   1HD1  LEU  30          1HD1      LEU  30  -4.009  -1.462  -9.755
   67   2HD1  LEU  30          2HD1      LEU  30  -2.725  -0.272  -9.852
   68   3HD1  LEU  30          3HD1      LEU  30  -3.569  -0.781 -11.311
   69   1HD2  LEU  30          1HD2      LEU  30  -0.160  -1.392 -10.744
   70   2HD2  LEU  30          2HD2      LEU  30  -0.599  -2.492 -12.033
   71   3HD2  LEU  30          3HD2      LEU  30  -1.263  -0.875 -12.011
   72    H    LEU  31           H        LEU  31   1.244  -3.771  -8.587
   73    HA   LEU  31           HA       LEU  31   2.278  -3.659 -11.321
   74   1HB   LEU  31          1HB       LEU  31   3.335  -3.013  -8.726
   75   2HB   LEU  31          2HB       LEU  31   4.345  -4.299  -9.285
   76    HG   LEU  31           HG       LEU  31   5.243  -2.063  -9.899
   77   1HD1  LEU  31          1HD1      LEU  31   5.654  -3.979 -11.433
   78   2HD1  LEU  31          2HD1      LEU  31   4.260  -3.511 -12.392
   79   3HD1  LEU  31          3HD1      LEU  31   5.637  -2.435 -12.275
   80   1HD2  LEU  31          1HD2      LEU  31   2.923  -0.980 -10.076
   81   2HD2  LEU  31          2HD2      LEU  31   4.112  -0.493 -11.269
   82   3HD2  LEU  31          3HD2      LEU  31   2.841  -1.610 -11.713
   83    H    THR  32           H        THR  32   2.164  -6.121  -8.804
   84    HA   THR  32           HA       THR  32   3.682  -7.949 -10.520
   85    HB   THR  32           HB       THR  32   3.240  -8.034  -7.903
   86    HG1  THR  32           HG1      THR  32   4.391  -9.739  -8.380
   87   1HG2  THR  32          1HG2      THR  32   0.617  -8.641  -8.491
   88   2HG2  THR  32          2HG2      THR  32   1.312 -10.246  -8.614
   89   3HG2  THR  32          3HG2      THR  32   1.437  -9.339  -7.113
   90    H    ARG  33           H        ARG  33   0.299  -7.010 -10.160
   91    HA   ARG  33           HA       ARG  33  -0.652  -9.180 -11.836
   92   1HB   ARG  33          1HB       ARG  33  -1.952  -6.509 -11.075
   93   2HB   ARG  33          2HB       ARG  33  -2.793  -7.803 -11.890
   94   1HG   ARG  33          1HG       ARG  33  -1.383  -8.310  -9.255
   95   2HG   ARG  33          2HG       ARG  33  -2.962  -7.584  -9.261
   96   1HD   ARG  33          1HD       ARG  33  -4.004  -9.513 -10.047
   97   2HD   ARG  33          2HD       ARG  33  -2.599 -10.095 -10.944
   98    HE   ARG  33           HE       ARG  33  -1.578 -10.334  -8.560
   99   1HH1  ARG  33          1HH1      ARG  33  -4.821 -11.052  -9.498
  100   2HH1  ARG  33          2HH1      ARG  33  -5.118 -12.221  -8.284
  101   1HH2  ARG  33          1HH2      ARG  33  -1.866 -11.893  -6.943
  102   2HH2  ARG  33          2HH2      ARG  33  -3.350 -12.729  -6.781
  103    H    GLN  34           H        GLN  34   0.695  -6.017 -12.459
  104    HA   GLN  34           HA       GLN  34  -0.281  -6.153 -15.265
  105   1HB   GLN  34          1HB       GLN  34   0.255  -3.856 -15.397
  106   2HB   GLN  34          2HB       GLN  34  -0.185  -4.035 -13.725
  107   1HG   GLN  34          1HG       GLN  34   1.790  -2.882 -13.403
  108   2HG   GLN  34          2HG       GLN  34   2.448  -4.481 -13.370
  109   1HE2  GLN  34          2HE2      GLN  34   1.764  -4.357 -16.521
  110   2HE2  GLN  34          1HE2      GLN  34   3.148  -3.603 -17.122
  111    H    ARG  35           H        ARG  35   2.610  -6.522 -13.384
  112    HA   ARG  35           HA       ARG  35   4.202  -6.917 -15.846
  113   1HB   ARG  35          1HB       ARG  35   4.709  -5.431 -13.634
  114   2HB   ARG  35          2HB       ARG  35   5.389  -6.934 -13.076
  115   1HG   ARG  35          1HG       ARG  35   7.157  -6.824 -14.618
  116   2HG   ARG  35          2HG       ARG  35   6.183  -6.074 -15.862
  117   1HD   ARG  35          1HD       ARG  35   6.619  -4.344 -13.484
  118   2HD   ARG  35          2HD       ARG  35   8.086  -4.715 -14.319
  119    HE   ARG  35           HE       ARG  35   5.647  -3.368 -15.450
  120   1HH1  ARG  35          1HH1      ARG  35   8.996  -4.213 -15.760
  121   2HH1  ARG  35          2HH1      ARG  35   9.337  -3.104 -17.020
  122   1HH2  ARG  35          1HH2      ARG  35   6.012  -1.951 -17.139
  123   2HH2  ARG  35          2HH2      ARG  35   7.553  -1.806 -17.880
  124    H    TYR  36           H        TYR  36   3.428  -8.815 -12.797
  125    HA   TYR  36           HA       TYR  36   4.867 -11.072 -14.007
  126   1HB   TYR  36          1HB       TYR  36   3.639 -10.340 -11.334
  127   2HB   TYR  36          2HB       TYR  36   3.581 -12.011 -11.778
  128    HD1  TYR  36           HD1      TYR  36   5.859  -9.102 -11.447
  129    HD2  TYR  36           HD2      TYR  36   5.562 -13.339 -11.614
  130    HE1  TYR  36           HE1      TYR  36   8.195  -9.269 -10.821
  131    HE2  TYR  36           HE2      TYR  36   7.912 -13.526 -10.990
  132    HH   TYR  36           HH       TYR  36  10.080 -11.055 -11.146
  133   1HN   NH2  37          1HN       NH2  37   3.004 -10.230 -15.729
  134   2HN   NH2  37          2HN       NH2  37   1.634 -11.236 -15.740
  Start of MODEL   14
    1   1H    ACE  23          1HA       ACE  23  -2.260   0.397   0.763
    2   2H    ACE  23          2HA       ACE  23  -3.037   1.337  -0.514
    3   3H    ACE  23          3HA       ACE  23  -1.812   2.088   0.504
    4    H    LEU  24           H        LEU  24   0.342   0.694   0.470
    5    HA   LEU  24           HA       LEU  24   1.425   0.886  -2.085
    6   1HB   LEU  24          1HB       LEU  24   2.643   0.864   0.169
    7   2HB   LEU  24          2HB       LEU  24   2.325  -0.849   0.258
    8    HG   LEU  24           HG       LEU  24   3.667  -0.954  -2.050
    9   1HD1  LEU  24          1HD1      LEU  24   4.553   1.758  -0.929
   10   2HD1  LEU  24          2HD1      LEU  24   5.343   0.897  -2.237
   11   3HD1  LEU  24          3HD1      LEU  24   3.716   1.502  -2.453
   12   1HD2  LEU  24          1HD2      LEU  24   5.013  -0.289   0.605
   13   2HD2  LEU  24          2HD2      LEU  24   4.534  -1.888   0.061
   14   3HD2  LEU  24          3HD2      LEU  24   5.817  -1.026  -0.769
   15    H    ARG  25           H        ARG  25  -0.399  -1.448  -0.848
   16    HA   ARG  25           HA       ARG  25   0.545  -3.606  -2.612
   17   1HB   ARG  25          1HB       ARG  25  -1.607  -3.348  -0.523
   18   2HB   ARG  25          2HB       ARG  25  -2.136  -4.299  -1.888
   19   1HG   ARG  25          1HG       ARG  25  -1.153  -5.903  -0.586
   20   2HG   ARG  25          2HG       ARG  25   0.085  -5.566  -1.760
   21   1HD   ARG  25          1HD       ARG  25   1.477  -5.210   0.048
   22   2HD   ARG  25          2HD       ARG  25   0.651  -3.655   0.133
   23    HE   ARG  25           HE       ARG  25  -0.697  -5.951   1.411
   24   1HH1  ARG  25          1HH1      ARG  25   1.269  -3.181   1.779
   25   2HH1  ARG  25          2HH1      ARG  25   0.967  -2.942   3.450
   26   1HH2  ARG  25          1HH2      ARG  25  -1.157  -5.772   3.616
   27   2HH2  ARG  25          2HH2      ARG  25  -0.477  -4.506   4.544
   28    H    HIS  26           H        HIS  26  -1.990  -1.163  -2.523
   29    HA   HIS  26           HA       HIS  26  -3.398  -1.803  -4.793
   30   1HB   HIS  26          1HB       HIS  26  -3.737   0.279  -3.275
   31   2HB   HIS  26          2HB       HIS  26  -2.541   1.080  -4.288
   32    HD1  HIS  26           HD1      HIS  26  -3.310   1.720  -6.644
   33    HD2  HIS  26           HD2      HIS  26  -6.048  -0.607  -4.562
   34    HE1  HIS  26           HE1      HIS  26  -5.458   1.655  -7.919
   35    H    TYR  27           H        TYR  27  -0.156  -0.689  -4.543
   36    HA   TYR  27           HA       TYR  27   0.037  -0.585  -7.521
   37   1HB   TYR  27          1HB       TYR  27   0.591   1.639  -6.640
   38   2HB   TYR  27          2HB       TYR  27   1.610   0.935  -5.381
   39    HD1  TYR  27           HD1      TYR  27   1.232   1.139  -9.071
   40    HD2  TYR  27           HD2      TYR  27   3.930   0.571  -5.828
   41    HE1  TYR  27           HE1      TYR  27   3.117   1.094 -10.647
   42    HE2  TYR  27           HE2      TYR  27   5.813   0.530  -7.409
   43    HH   TYR  27           HH       TYR  27   5.921   1.674 -10.160
   44    H    LEU  28           H        LEU  28   1.369  -2.219  -4.736
   45    HA   LEU  28           HA       LEU  28   3.660  -3.193  -6.321
   46   1HB   LEU  28          1HB       LEU  28   3.347  -2.677  -3.711
   47   2HB   LEU  28          2HB       LEU  28   2.778  -4.304  -3.658
   48    HG   LEU  28           HG       LEU  28   5.472  -3.611  -4.952
   49   1HD1  LEU  28          1HD1      LEU  28   4.854  -4.123  -2.004
   50   2HD1  LEU  28          2HD1      LEU  28   6.461  -4.290  -2.676
   51   3HD1  LEU  28          3HD1      LEU  28   5.664  -2.729  -2.694
   52   1HD2  LEU  28          1HD2      LEU  28   4.409  -6.160  -3.625
   53   2HD2  LEU  28          2HD2      LEU  28   4.511  -5.900  -5.357
   54   3HD2  LEU  28          3HD2      LEU  28   5.971  -5.976  -4.400
   55    H    ASN  29           H        ASN  29   0.671  -4.056  -4.969
   56    HA   ASN  29           HA       ASN  29   0.682  -6.811  -5.823
   57   1HB   ASN  29          1HB       ASN  29  -0.594  -5.806  -3.846
   58   2HB   ASN  29          2HB       ASN  29  -1.671  -5.082  -5.021
   59   1HD2  ASN  29          2HD2      ASN  29  -2.666  -6.679  -6.599
   60   2HD2  ASN  29          1HD2      ASN  29  -3.208  -8.126  -5.900
   61    H    LEU  30           H        LEU  30  -0.671  -3.777  -6.938
   62    HA   LEU  30           HA       LEU  30  -2.033  -4.918  -9.231
   63   1HB   LEU  30          1HB       LEU  30  -2.606  -2.830  -8.107
   64   2HB   LEU  30          2HB       LEU  30  -1.076  -2.147  -8.554
   65    HG   LEU  30           HG       LEU  30  -2.924  -3.096 -10.765
   66   1HD1  LEU  30          1HD1      LEU  30  -3.219  -0.604  -9.047
   67   2HD1  LEU  30          2HD1      LEU  30  -3.633  -0.507 -10.747
   68   3HD1  LEU  30          3HD1      LEU  30  -4.467  -1.640  -9.708
   69   1HD2  LEU  30          1HD2      LEU  30  -0.420  -1.494 -10.550
   70   2HD2  LEU  30          2HD2      LEU  30  -1.084  -2.354 -11.922
   71   3HD2  LEU  30          3HD2      LEU  30  -1.623  -0.731 -11.566
   72    H    LEU  31           H        LEU  31   1.194  -4.069  -8.435
   73    HA   LEU  31           HA       LEU  31   2.052  -3.735 -11.238
   74   1HB   LEU  31          1HB       LEU  31   3.241  -2.536  -9.470
   75   2HB   LEU  31          2HB       LEU  31   3.579  -4.011  -8.608
   76    HG   LEU  31           HG       LEU  31   4.661  -4.419 -11.238
   77   1HD1  LEU  31          1HD1      LEU  31   5.134  -1.588 -10.232
   78   2HD1  LEU  31          2HD1      LEU  31   6.053  -2.330 -11.514
   79   3HD1  LEU  31          3HD1      LEU  31   4.340  -2.041 -11.725
   80   1HD2  LEU  31          1HD2      LEU  31   5.535  -4.820  -8.709
   81   2HD2  LEU  31          2HD2      LEU  31   6.634  -4.768 -10.066
   82   3HD2  LEU  31          3HD2      LEU  31   6.426  -3.349  -9.046
   83    H    THR  32           H        THR  32   2.416  -6.277  -8.746
   84    HA   THR  32           HA       THR  32   3.808  -7.955 -10.660
   85    HB   THR  32           HB       THR  32   3.632  -8.277  -8.116
   86    HG1  THR  32           HG1      THR  32   4.209 -10.349  -8.565
   87   1HG2  THR  32          1HG2      THR  32   0.905  -8.527  -8.356
   88   2HG2  THR  32          2HG2      THR  32   1.335 -10.194  -8.712
   89   3HG2  THR  32          3HG2      THR  32   1.774  -9.475  -7.173
   90    H    ARG  33           H        ARG  33   0.486  -7.198 -10.052
   91    HA   ARG  33           HA       ARG  33  -0.588  -9.337 -11.675
   92   1HB   ARG  33          1HB       ARG  33  -1.648  -6.812 -10.401
   93   2HB   ARG  33          2HB       ARG  33  -2.660  -7.652 -11.551
   94   1HG   ARG  33          1HG       ARG  33  -1.449  -9.556  -9.628
   95   2HG   ARG  33          2HG       ARG  33  -2.273  -8.295  -8.772
   96   1HD   ARG  33          1HD       ARG  33  -3.450  -9.978 -11.011
   97   2HD   ARG  33          2HD       ARG  33  -3.756 -10.252  -9.298
   98    HE   ARG  33           HE       ARG  33  -4.517  -7.825  -9.251
   99   1HH1  ARG  33          1HH1      ARG  33  -4.940  -9.850 -12.039
  100   2HH1  ARG  33          2HH1      ARG  33  -6.260  -8.974 -12.666
  101   1HH2  ARG  33          1HH2      ARG  33  -6.287  -6.673 -10.002
  102   2HH2  ARG  33          2HH2      ARG  33  -7.073  -7.131 -11.446
  103    H    GLN  34           H        GLN  34   0.659  -6.243 -12.409
  104    HA   GLN  34           HA       GLN  34  -0.457  -6.419 -15.174
  105   1HB   GLN  34          1HB       GLN  34  -0.308  -4.077 -15.252
  106   2HB   GLN  34          2HB       GLN  34  -0.748  -4.404 -13.587
  107   1HG   GLN  34          1HG       GLN  34   0.954  -2.953 -13.097
  108   2HG   GLN  34          2HG       GLN  34   1.979  -4.358 -13.289
  109   1HE2  GLN  34          2HE2      GLN  34   1.563  -4.313 -16.353
  110   2HE2  GLN  34          1HE2      GLN  34   2.510  -2.989 -16.824
  111    H    ARG  35           H        ARG  35   2.411  -6.573 -13.362
  112    HA   ARG  35           HA       ARG  35   4.108  -6.461 -15.789
  113   1HB   ARG  35          1HB       ARG  35   4.570  -5.174 -13.491
  114   2HB   ARG  35          2HB       ARG  35   5.176  -6.719 -12.947
  115   1HG   ARG  35          1HG       ARG  35   7.174  -6.135 -13.884
  116   2HG   ARG  35          2HG       ARG  35   6.438  -6.477 -15.426
  117   1HD   ARG  35          1HD       ARG  35   7.095  -4.249 -15.827
  118   2HD   ARG  35          2HD       ARG  35   5.512  -3.967 -15.171
  119    HE   ARG  35           HE       ARG  35   6.430  -3.504 -13.001
  120   1HH1  ARG  35          1HH1      ARG  35   8.795  -3.796 -15.512
  121   2HH1  ARG  35          2HH1      ARG  35  10.018  -2.949 -14.671
  122   1HH2  ARG  35          2HH2      ARG  35   7.988  -2.386 -11.855
  123   2HH2  ARG  35          1HH2      ARG  35   9.540  -2.120 -12.521
  124    H    TYR  36           H        TYR  36   3.473  -8.769 -13.036
  125    HA   TYR  36           HA       TYR  36   5.173 -10.696 -14.448
  126   1HB   TYR  36          1HB       TYR  36   3.739 -10.486 -11.784
  127   2HB   TYR  36          2HB       TYR  36   3.879 -12.073 -12.470
  128    HD1  TYR  36           HD1      TYR  36   6.256 -12.853 -13.175
  129    HD2  TYR  36           HD2      TYR  36   5.571  -9.404 -10.787
  130    HE1  TYR  36           HE1      TYR  36   8.587 -12.877 -12.472
  131    HE2  TYR  36           HE2      TYR  36   7.901  -9.414 -10.078
  132    HH   TYR  36           HH       TYR  36  10.038 -12.049 -10.780
  133   1HN   NH2  37          1HN       NH2  37   2.110  -9.414 -14.726
  134   2HN   NH2  37          2HN       NH2  37   1.354 -10.688 -15.539
  Start of MODEL   15
    1   1H    ACE  23          1HA       ACE  23  -2.309  -1.120   1.223
    2   2H    ACE  23          2HA       ACE  23  -3.186   0.219   0.486
    3   3H    ACE  23          3HA       ACE  23  -1.825   0.547   1.552
    4    H    LEU  24           H        LEU  24   0.317  -0.418   0.773
    5    HA   LEU  24           HA       LEU  24   0.983   0.559  -1.736
    6   1HB   LEU  24          1HB       LEU  24   2.483   0.120   0.299
    7   2HB   LEU  24          2HB       LEU  24   2.388  -1.577  -0.091
    8    HG   LEU  24           HG       LEU  24   3.248  -0.491  -2.538
    9   1HD1  LEU  24          1HD1      LEU  24   3.391   1.779  -1.347
   10   2HD1  LEU  24          2HD1      LEU  24   4.723   1.111  -0.419
   11   3HD1  LEU  24          3HD1      LEU  24   4.842   1.238  -2.164
   12   1HD2  LEU  24          1HD2      LEU  24   4.950  -1.365  -0.176
   13   2HD2  LEU  24          2HD2      LEU  24   4.248  -2.419  -1.397
   14   3HD2  LEU  24          3HD2      LEU  24   5.503  -1.272  -1.841
   15    H    ARG  25           H        ARG  25  -0.660  -2.063  -1.063
   16    HA   ARG  25           HA       ARG  25   0.218  -3.937  -3.082
   17   1HB   ARG  25          1HB       ARG  25  -2.644  -3.516  -2.026
   18   2HB   ARG  25          2HB       ARG  25  -2.053  -4.998  -2.721
   19   1HG   ARG  25          1HG       ARG  25  -1.282  -3.751  -0.043
   20   2HG   ARG  25          2HG       ARG  25  -2.035  -5.299  -0.321
   21   1HD   ARG  25          1HD       ARG  25   0.812  -4.567  -1.166
   22   2HD   ARG  25          2HD       ARG  25   0.370  -5.556   0.198
   23    HE   ARG  25           HE       ARG  25  -0.411  -6.240  -2.640
   24   1HH1  ARG  25          1HH1      ARG  25   0.768  -7.311   0.443
   25   2HH1  ARG  25          2HH1      ARG  25   0.852  -8.941  -0.042
   26   1HH2  ARG  25          1HH2      ARG  25  -0.357  -8.344  -3.288
   27   2HH2  ARG  25          2HH2      ARG  25   0.207  -9.542  -2.215
   28    H    HIS  26           H        HIS  26  -2.093  -1.379  -2.809
   29    HA   HIS  26           HA       HIS  26  -3.286  -1.336  -5.241
   30   1HB   HIS  26          1HB       HIS  26  -3.525   0.350  -3.286
   31   2HB   HIS  26          2HB       HIS  26  -2.257   1.267  -4.101
   32    HD1  HIS  26           HD1      HIS  26  -2.895   2.275  -6.408
   33    HD2  HIS  26           HD2      HIS  26  -5.856  -0.037  -4.655
   34    HE1  HIS  26           HE1      HIS  26  -5.022   2.604  -7.668
   35    H    TYR  27           H        TYR  27   0.026  -0.686  -4.615
   36    HA   TYR  27           HA       TYR  27   0.417   0.050  -7.465
   37   1HB   TYR  27          1HB       TYR  27   0.762   1.999  -6.022
   38   2HB   TYR  27          2HB       TYR  27   1.725   1.049  -4.909
   39    HD1  TYR  27           HD1      TYR  27   1.900   1.387  -8.637
   40    HD2  TYR  27           HD2      TYR  27   3.874   1.934  -4.899
   41    HE1  TYR  27           HE1      TYR  27   3.956   2.062  -9.812
   42    HE2  TYR  27           HE2      TYR  27   5.914   2.606  -6.076
   43    HH   TYR  27           HH       TYR  27   6.669   3.403  -8.174
   44    H    LEU  28           H        LEU  28   1.671  -1.920  -4.966
   45    HA   LEU  28           HA       LEU  28   3.935  -2.823  -6.573
   46   1HB   LEU  28          1HB       LEU  28   3.590  -2.445  -3.917
   47   2HB   LEU  28          2HB       LEU  28   3.052  -4.075  -3.998
   48    HG   LEU  28           HG       LEU  28   5.265  -4.536  -5.411
   49   1HD1  LEU  28          1HD1      LEU  28   5.818  -1.862  -4.071
   50   2HD1  LEU  28          2HD1      LEU  28   7.130  -2.986  -4.378
   51   3HD1  LEU  28          3HD1      LEU  28   6.173  -2.372  -5.709
   52   1HD2  LEU  28          1HD2      LEU  28   4.779  -5.491  -3.151
   53   2HD2  LEU  28          2HD2      LEU  28   6.475  -5.099  -3.343
   54   3HD2  LEU  28          3HD2      LEU  28   5.437  -4.045  -2.397
   55    H    ASN  29           H        ASN  29   0.877  -3.703  -5.286
   56    HA   ASN  29           HA       ASN  29   1.034  -6.410  -6.371
   57   1HB   ASN  29          1HB       ASN  29  -0.167  -5.771  -4.294
   58   2HB   ASN  29          2HB       ASN  29  -1.369  -4.948  -5.273
   59   1HD2  ASN  29          2HD2      ASN  29  -2.428  -6.253  -6.990
   60   2HD2  ASN  29          1HD2      ASN  29  -2.725  -7.883  -6.659
   61    H    LEU  30           H        LEU  30  -0.575  -3.357  -7.078
   62    HA   LEU  30           HA       LEU  30  -2.112  -4.248  -9.312
   63   1HB   LEU  30          1HB       LEU  30  -2.347  -2.086  -8.173
   64   2HB   LEU  30          2HB       LEU  30  -0.770  -1.603  -8.705
   65    HG   LEU  30           HG       LEU  30  -2.791  -2.370 -10.842
   66   1HD1  LEU  30          1HD1      LEU  30  -2.698   0.283  -9.346
   67   2HD1  LEU  30          2HD1      LEU  30  -3.559   0.050 -10.854
   68   3HD1  LEU  30          3HD1      LEU  30  -4.066  -0.807  -9.411
   69   1HD2  LEU  30          1HD2      LEU  30  -0.318  -0.623 -10.650
   70   2HD2  LEU  30          2HD2      LEU  30  -0.726  -1.834 -11.851
   71   3HD2  LEU  30          3HD2      LEU  30  -1.505  -0.276 -11.890
   72    H    LEU  31           H        LEU  31   1.172  -3.594  -8.742
   73    HA   LEU  31           HA       LEU  31   1.974  -3.653 -11.565
   74   1HB   LEU  31          1HB       LEU  31   3.137  -2.849  -8.999
   75   2HB   LEU  31          2HB       LEU  31   4.256  -3.890  -9.772
   76    HG   LEU  31           HG       LEU  31   4.698  -1.576 -10.478
   77   1HD1  LEU  31          1HD1      LEU  31   4.605  -3.598 -12.247
   78   2HD1  LEU  31          2HD1      LEU  31   3.285  -2.669 -12.935
   79   3HD1  LEU  31          3HD1      LEU  31   4.875  -1.955 -12.796
   80   1HD2  LEU  31          1HD2      LEU  31   1.717  -1.544 -11.136
   81   2HD2  LEU  31          2HD2      LEU  31   2.605  -0.495 -10.052
   82   3HD2  LEU  31          3HD2      LEU  31   2.828  -0.355 -11.785
   83    H    THR  32           H        THR  32   2.337  -5.829  -8.807
   84    HA   THR  32           HA       THR  32   3.806  -7.681 -10.506
   85    HB   THR  32           HB       THR  32   3.805  -7.541  -7.959
   86    HG1  THR  32           HG1      THR  32   4.698  -9.433  -8.304
   87   1HG2  THR  32          1HG2      THR  32   1.090  -7.952  -7.933
   88   2HG2  THR  32          2HG2      THR  32   1.604  -9.622  -7.983
   89   3HG2  THR  32          3HG2      THR  32   2.116  -8.591  -6.658
   90    H    ARG  33           H        ARG  33   0.420  -7.017  -9.918
   91    HA   ARG  33           HA       ARG  33  -0.472  -9.465 -11.276
   92   1HB   ARG  33          1HB       ARG  33  -2.677  -8.777 -10.768
   93   2HB   ARG  33          2HB       ARG  33  -1.723  -8.236  -9.403
   94   1HG   ARG  33          1HG       ARG  33  -2.728  -6.258  -9.640
   95   2HG   ARG  33          2HG       ARG  33  -1.670  -5.994 -11.007
   96   1HD   ARG  33          1HD       ARG  33  -3.418  -6.698 -12.589
   97   2HD   ARG  33          2HD       ARG  33  -4.412  -7.313 -11.274
   98    HE   ARG  33           HE       ARG  33  -3.646  -4.429 -11.445
   99   1HH1  ARG  33          1HH1      ARG  33  -6.182  -6.804 -11.242
  100   2HH1  ARG  33          2HH1      ARG  33  -7.428  -5.672 -10.929
  101   1HH2  ARG  33          1HH2      ARG  33  -5.204  -2.935 -11.085
  102   2HH2  ARG  33          2HH2      ARG  33  -6.856  -3.371 -10.882
  103    H    GLN  34           H        GLN  34   0.706  -6.509 -12.374
  104    HA   GLN  34           HA       GLN  34  -0.686  -6.850 -14.996
  105   1HB   GLN  34          1HB       GLN  34  -0.648  -4.554 -15.200
  106   2HB   GLN  34          2HB       GLN  34  -0.941  -4.782 -13.488
  107   1HG   GLN  34          1HG       GLN  34   0.719  -3.219 -13.251
  108   2HG   GLN  34          2HG       GLN  34   1.769  -4.616 -13.396
  109   1HE2  GLN  34          2HE2      GLN  34  -0.019  -2.560 -15.770
  110   2HE2  GLN  34          1HE2      GLN  34   1.344  -2.370 -16.760
  111    H    ARG  35           H        ARG  35   2.314  -6.739 -13.287
  112    HA   ARG  35           HA       ARG  35   3.833  -6.923 -15.820
  113   1HB   ARG  35          1HB       ARG  35   4.363  -5.320 -13.725
  114   2HB   ARG  35          2HB       ARG  35   5.122  -6.752 -13.075
  115   1HG   ARG  35          1HG       ARG  35   6.831  -5.485 -14.299
  116   2HG   ARG  35          2HG       ARG  35   6.472  -6.915 -15.240
  117   1HD   ARG  35          1HD       ARG  35   5.654  -5.679 -16.999
  118   2HD   ARG  35          2HD       ARG  35   4.631  -4.731 -15.963
  119    HE   ARG  35           HE       ARG  35   6.522  -3.317 -15.369
  120   1HH1  ARG  35          1HH1      ARG  35   6.802  -5.211 -18.243
  121   2HH1  ARG  35          2HH1      ARG  35   7.955  -4.203 -18.998
  122   1HH2  ARG  35          1HH2      ARG  35   8.022  -1.958 -16.264
  123   2HH2  ARG  35          2HH2      ARG  35   8.678  -2.273 -17.811
  124    H    TYR  36           H        TYR  36   3.492  -8.859 -12.717
  125    HA   TYR  36           HA       TYR  36   5.185 -10.895 -13.949
  126   1HB   TYR  36          1HB       TYR  36   3.867 -10.372 -11.284
  127   2HB   TYR  36          2HB       TYR  36   3.983 -12.037 -11.740
  128    HD1  TYR  36           HD1      TYR  36   5.858  -8.976 -11.023
  129    HD2  TYR  36           HD2      TYR  36   6.190 -13.114 -11.940
  130    HE1  TYR  36           HE1      TYR  36   8.211  -8.915 -10.394
  131    HE2  TYR  36           HE2      TYR  36   8.541 -13.065 -11.314
  132    HH   TYR  36           HH       TYR  36  10.097 -11.757  -9.992
  133   1HN   NH2  37          1HN       NH2  37   3.387 -10.508 -15.785
  134   2HN   NH2  37          2HN       NH2  37   2.125 -11.650 -15.774
  Start of MODEL   16
    1   1H    ACE  23          1HA       ACE  23  -1.837   0.806   1.176
    2   2H    ACE  23          2HA       ACE  23  -3.072   0.248   0.045
    3   3H    ACE  23          3HA       ACE  23  -2.528   1.923  -0.001
    4    H    LEU  24           H        LEU  24   0.244   0.380   0.571
    5    HA   LEU  24           HA       LEU  24   1.276   0.732  -2.011
    6   1HB   LEU  24          1HB       LEU  24   2.574   0.674   0.148
    7   2HB   LEU  24          2HB       LEU  24   2.285  -1.053   0.233
    8    HG   LEU  24           HG       LEU  24   3.753  -1.484  -1.647
    9   1HD1  LEU  24          1HD1      LEU  24   3.495   1.503  -2.209
   10   2HD1  LEU  24          2HD1      LEU  24   4.823   0.572  -2.869
   11   3HD1  LEU  24          3HD1      LEU  24   3.176   0.163  -3.301
   12   1HD2  LEU  24          1HD2      LEU  24   4.819  -0.655   0.593
   13   2HD2  LEU  24          2HD2      LEU  24   5.844  -0.664  -0.829
   14   3HD2  LEU  24          3HD2      LEU  24   5.142   0.843  -0.262
   15    H    ARG  25           H        ARG  25  -0.633  -1.574  -0.964
   16    HA   ARG  25           HA       ARG  25   0.344  -3.743  -2.689
   17   1HB   ARG  25          1HB       ARG  25  -2.427  -3.344  -1.386
   18   2HB   ARG  25          2HB       ARG  25  -1.881  -4.841  -2.098
   19   1HG   ARG  25          1HG       ARG  25  -0.836  -3.461   0.420
   20   2HG   ARG  25          2HG       ARG  25  -1.579  -5.036   0.305
   21   1HD   ARG  25          1HD       ARG  25   1.142  -4.336  -0.940
   22   2HD   ARG  25          2HD       ARG  25   0.882  -5.127   0.594
   23    HE   ARG  25           HE       ARG  25  -0.380  -6.303  -1.867
   24   1HH1  ARG  25          1HH1      ARG  25   1.930  -6.661   0.708
   25   2HH1  ARG  25          2HH1      ARG  25   2.165  -8.324   0.414
   26   1HH2  ARG  25          1HH2      ARG  25  -0.093  -8.438  -2.272
   27   2HH2  ARG  25          2HH2      ARG  25   0.990  -9.362  -1.323
   28    H    HIS  26           H        HIS  26  -2.251  -1.345  -2.648
   29    HA   HIS  26           HA       HIS  26  -3.443  -1.838  -5.043
   30   1HB   HIS  26          1HB       HIS  26  -3.869   0.150  -3.424
   31   2HB   HIS  26          2HB       HIS  26  -2.664   1.015  -4.379
   32    HD1  HIS  26           HD1      HIS  26  -3.361   1.623  -6.790
   33    HD2  HIS  26           HD2      HIS  26  -6.127  -0.715  -4.761
   34    HE1  HIS  26           HE1      HIS  26  -5.461   1.518  -8.123
   35    H    TYR  27           H        TYR  27  -0.263  -0.560  -4.604
   36    HA   TYR  27           HA       TYR  27   0.062  -0.303  -7.545
   37   1HB   TYR  27          1HB       TYR  27   0.313   1.763  -6.146
   38   2HB   TYR  27          2HB       TYR  27   1.565   0.980  -5.215
   39    HD1  TYR  27           HD1      TYR  27   0.756   2.491  -8.472
   40    HD2  TYR  27           HD2      TYR  27   3.833   0.796  -6.064
   41    HE1  TYR  27           HE1      TYR  27   2.453   3.393  -9.990
   42    HE2  TYR  27           HE2      TYR  27   5.517   1.696  -7.578
   43    HH   TYR  27           HH       TYR  27   5.460   2.361 -10.170
   44    H    LEU  28           H        LEU  28   1.561  -1.942  -4.850
   45    HA   LEU  28           HA       LEU  28   3.746  -2.863  -6.579
   46   1HB   LEU  28          1HB       LEU  28   3.641  -2.274  -3.982
   47   2HB   LEU  28          2HB       LEU  28   3.160  -3.918  -3.848
   48    HG   LEU  28           HG       LEU  28   5.229  -4.522  -5.358
   49   1HD1  LEU  28          1HD1      LEU  28   5.809  -1.633  -4.586
   50   2HD1  LEU  28          2HD1      LEU  28   7.112  -2.759  -4.916
   51   3HD1  LEU  28          3HD1      LEU  28   5.942  -2.393  -6.163
   52   1HD2  LEU  28          1HD2      LEU  28   5.077  -5.059  -2.929
   53   2HD2  LEU  28          2HD2      LEU  28   6.714  -4.600  -3.355
   54   3HD2  LEU  28          3HD2      LEU  28   5.670  -3.456  -2.525
   55    H    ASN  29           H        ASN  29   0.897  -3.777  -5.015
   56    HA   ASN  29           HA       ASN  29   1.125  -6.591  -5.716
   57   1HB   ASN  29          1HB       ASN  29  -0.060  -5.591  -3.709
   58   2HB   ASN  29          2HB       ASN  29  -1.318  -5.074  -4.819
   59   1HD2  ASN  29          2HD2      ASN  29  -2.094  -6.906  -6.301
   60   2HD2  ASN  29          1HD2      ASN  29  -2.530  -8.303  -5.469
   61    H    LEU  30           H        LEU  30  -0.202  -3.759  -7.078
   62    HA   LEU  30           HA       LEU  30  -1.744  -5.216  -9.096
   63   1HB   LEU  30          1HB       LEU  30  -2.385  -3.098  -8.063
   64   2HB   LEU  30          2HB       LEU  30  -0.962  -2.353  -8.656
   65    HG   LEU  30           HG       LEU  30  -2.700  -3.648 -10.776
   66   1HD1  LEU  30          1HD1      LEU  30  -3.503  -1.236  -9.125
   67   2HD1  LEU  30          2HD1      LEU  30  -3.985  -1.354 -10.807
   68   3HD1  LEU  30          3HD1      LEU  30  -4.486  -2.586  -9.673
   69   1HD2  LEU  30          1HD2      LEU  30  -1.030  -1.084 -10.602
   70   2HD2  LEU  30          2HD2      LEU  30  -0.679  -2.513 -11.559
   71   3HD2  LEU  30          3HD2      LEU  30  -2.019  -1.476 -11.995
   72    H    LEU  31           H        LEU  31   1.373  -3.897  -8.452
   73    HA   LEU  31           HA       LEU  31   2.297  -3.659 -11.194
   74   1HB   LEU  31          1HB       LEU  31   3.387  -3.159  -8.593
   75   2HB   LEU  31          2HB       LEU  31   4.427  -4.378  -9.227
   76    HG   LEU  31           HG       LEU  31   5.357  -2.212  -9.837
   77   1HD1  LEU  31          1HD1      LEU  31   5.103  -4.055 -11.725
   78   2HD1  LEU  31          2HD1      LEU  31   3.978  -2.916 -12.446
   79   3HD1  LEU  31          3HD1      LEU  31   5.639  -2.446 -12.159
   80   1HD2  LEU  31          1HD2      LEU  31   2.492  -1.510 -10.412
   81   2HD2  LEU  31          2HD2      LEU  31   3.745  -0.569  -9.652
   82   3HD2  LEU  31          3HD2      LEU  31   3.711  -0.724 -11.400
   83    H    THR  32           H        THR  32   2.286  -6.231  -8.841
   84    HA   THR  32           HA       THR  32   3.729  -8.014 -10.663
   85    HB   THR  32           HB       THR  32   3.516  -8.176  -8.077
   86    HG1  THR  32           HG1      THR  32   4.208 -10.177  -8.451
   87   1HG2  THR  32          1HG2      THR  32   0.792  -8.456  -8.394
   88   2HG2  THR  32          2HG2      THR  32   1.263 -10.130  -8.583
   89   3HG2  THR  32          3HG2      THR  32   1.651  -9.271  -7.106
   90    H    ARG  33           H        ARG  33   0.394  -7.134 -10.063
   91    HA   ARG  33           HA       ARG  33  -0.689  -9.276 -11.695
   92   1HB   ARG  33          1HB       ARG  33  -1.829  -6.744 -10.444
   93   2HB   ARG  33          2HB       ARG  33  -2.783  -7.609 -11.620
   94   1HG   ARG  33          1HG       ARG  33  -1.684  -9.462  -9.615
   95   2HG   ARG  33          2HG       ARG  33  -2.546  -8.181  -8.818
   96   1HD   ARG  33          1HD       ARG  33  -3.795  -9.616 -11.223
   97   2HD   ARG  33          2HD       ARG  33  -3.819 -10.347  -9.616
   98    HE   ARG  33           HE       ARG  33  -4.658  -7.535  -9.893
   99   1HH1  ARG  33          1HH1      ARG  33  -5.604 -10.831  -9.418
  100   2HH1  ARG  33          2HH1      ARG  33  -7.150 -10.467  -8.788
  101   1HH2  ARG  33          1HH2      ARG  33  -6.708  -6.994  -9.109
  102   2HH2  ARG  33          2HH2      ARG  33  -7.793  -8.204  -8.595
  103    H    GLN  34           H        GLN  34   0.621  -6.123 -12.360
  104    HA   GLN  34           HA       GLN  34  -0.547  -6.200 -15.091
  105   1HB   GLN  34          1HB       GLN  34  -0.152  -3.883 -15.174
  106   2HB   GLN  34          2HB       GLN  34  -0.494  -4.133 -13.482
  107   1HG   GLN  34          1HG       GLN  34   1.413  -2.881 -13.195
  108   2HG   GLN  34          2HG       GLN  34   2.213  -4.413 -13.324
  109   1HE2  GLN  34          2HE2      GLN  34   1.398  -4.326 -16.387
  110   2HE2  GLN  34          1HE2      GLN  34   2.579  -3.314 -17.046
  111    H    ARG  35           H        ARG  35   2.477  -6.468 -13.357
  112    HA   ARG  35           HA       ARG  35   3.902  -6.707 -15.928
  113   1HB   ARG  35          1HB       ARG  35   4.490  -5.264 -13.650
  114   2HB   ARG  35          2HB       ARG  35   5.310  -6.745 -13.271
  115   1HG   ARG  35          1HG       ARG  35   6.878  -5.196 -14.400
  116   2HG   ARG  35          2HG       ARG  35   6.538  -6.509 -15.515
  117   1HD   ARG  35          1HD       ARG  35   5.032  -5.148 -16.828
  118   2HD   ARG  35          2HD       ARG  35   4.861  -3.975 -15.542
  119    HE   ARG  35           HE       ARG  35   7.412  -4.420 -17.030
  120   1HH1  ARG  35          1HH1      ARG  35   5.034  -2.190 -15.688
  121   2HH1  ARG  35          2HH1      ARG  35   5.927  -0.811 -16.139
  122   1HH2  ARG  35          1HH2      ARG  35   8.554  -2.613 -17.637
  123   2HH2  ARG  35          2HH2      ARG  35   7.970  -1.054 -17.263
  124    H    TYR  36           H        TYR  36   3.354  -8.757 -12.978
  125    HA   TYR  36           HA       TYR  36   4.955 -10.824 -14.292
  126   1HB   TYR  36          1HB       TYR  36   3.662 -10.368 -11.600
  127   2HB   TYR  36          2HB       TYR  36   3.663 -12.005 -12.172
  128    HD1  TYR  36           HD1      TYR  36   5.850 -13.119 -12.702
  129    HD2  TYR  36           HD2      TYR  36   5.668  -9.210 -11.034
  130    HE1  TYR  36           HE1      TYR  36   8.194 -13.264 -12.116
  131    HE2  TYR  36           HE2      TYR  36   8.013  -9.335 -10.437
  132    HH   TYR  36           HH       TYR  36   9.845 -12.301 -10.719
  133   1HN   NH2  37          1HN       NH2  37   1.959  -9.543 -14.743
  134   2HN   NH2  37          2HN       NH2  37   1.147 -10.900 -15.344
  Start of MODEL   17
    1   1H    ACE  23          1HA       ACE  23  -1.797   1.398   1.265
    2   2H    ACE  23          2HA       ACE  23  -1.920  -0.358   1.416
    3   3H    ACE  23          3HA       ACE  23  -3.043   0.523   0.380
    4    H    LEU  24           H        LEU  24   0.484   0.067   0.764
    5    HA   LEU  24           HA       LEU  24   1.145   0.818  -1.868
    6   1HB   LEU  24          1HB       LEU  24   2.704   0.617   0.147
    7   2HB   LEU  24          2HB       LEU  24   2.577  -1.121   0.013
    8    HG   LEU  24           HG       LEU  24   3.620  -0.931  -2.328
    9   1HD1  LEU  24          1HD1      LEU  24   3.844   2.005  -1.494
   10   2HD1  LEU  24          2HD1      LEU  24   4.754   1.299  -2.815
   11   3HD1  LEU  24          3HD1      LEU  24   3.012   1.389  -2.910
   12   1HD2  LEU  24          1HD2      LEU  24   5.204   0.304  -0.043
   13   2HD2  LEU  24          2HD2      LEU  24   5.029  -1.414  -0.355
   14   3HD2  LEU  24          3HD2      LEU  24   5.894  -0.401  -1.495
   15    H    ARG  25           H        ARG  25  -0.544  -1.674  -0.928
   16    HA   ARG  25           HA       ARG  25   0.314  -3.745  -2.765
   17   1HB   ARG  25          1HB       ARG  25  -2.534  -3.299  -1.710
   18   2HB   ARG  25          2HB       ARG  25  -1.842  -4.821  -2.195
   19   1HG   ARG  25          1HG       ARG  25  -1.122  -3.184   0.289
   20   2HG   ARG  25          2HG       ARG  25  -1.857  -4.760   0.245
   21   1HD   ARG  25          1HD       ARG  25   0.974  -4.031  -0.537
   22   2HD   ARG  25          2HD       ARG  25   0.500  -5.103   0.782
   23    HE   ARG  25           HE       ARG  25  -0.638  -6.416  -1.263
   24   1HH1  ARG  25          1HH1      ARG  25   2.504  -5.005  -1.088
   25   2HH1  ARG  25          2HH1      ARG  25   3.191  -6.010  -2.293
   26   1HH2  ARG  25          1HH2      ARG  25   0.199  -7.796  -2.843
   27   2HH2  ARG  25          2HH2      ARG  25   1.862  -7.693  -3.229
   28    H    HIS  26           H        HIS  26  -1.997  -1.124  -2.670
   29    HA   HIS  26           HA       HIS  26  -3.261  -1.361  -5.083
   30   1HB   HIS  26          1HB       HIS  26  -3.489   0.514  -3.292
   31   2HB   HIS  26          2HB       HIS  26  -2.256   1.361  -4.222
   32    HD1  HIS  26           HD1      HIS  26  -2.977   2.166  -6.575
   33    HD2  HIS  26           HD2      HIS  26  -5.844  -0.057  -4.572
   34    HE1  HIS  26           HE1      HIS  26  -5.145   2.359  -7.801
   35    H    TYR  27           H        TYR  27   0.053  -0.725  -4.591
   36    HA   TYR  27           HA       TYR  27   0.404  -0.137  -7.485
   37   1HB   TYR  27          1HB       TYR  27   0.923   1.808  -6.123
   38   2HB   TYR  27          2HB       TYR  27   1.878   0.835  -5.018
   39    HD1  TYR  27           HD1      TYR  27   1.794   1.863  -8.624
   40    HD2  TYR  27           HD2      TYR  27   4.209   0.802  -5.278
   41    HE1  TYR  27           HE1      TYR  27   3.821   2.401  -9.903
   42    HE2  TYR  27           HE2      TYR  27   6.225   1.345  -6.569
   43    HH   TYR  27           HH       TYR  27   6.338   1.589  -9.751
   44    H    LEU  28           H        LEU  28   1.746  -2.012  -4.837
   45    HA   LEU  28           HA       LEU  28   3.752  -3.136  -6.647
   46   1HB   LEU  28          1HB       LEU  28   3.648  -2.546  -3.993
   47   2HB   LEU  28          2HB       LEU  28   3.182  -4.195  -3.939
   48    HG   LEU  28           HG       LEU  28   5.303  -4.561  -5.595
   49   1HD1  LEU  28          1HD1      LEU  28   5.678  -2.072  -5.786
   50   2HD1  LEU  28          2HD1      LEU  28   6.073  -2.023  -4.078
   51   3HD1  LEU  28          3HD1      LEU  28   7.093  -2.917  -5.195
   52   1HD2  LEU  28          1HD2      LEU  28   5.478  -4.112  -2.577
   53   2HD2  LEU  28          2HD2      LEU  28   5.298  -5.642  -3.438
   54   3HD2  LEU  28          3HD2      LEU  28   6.805  -4.760  -3.524
   55    H    ASN  29           H        ASN  29   0.791  -3.756  -5.069
   56    HA   ASN  29           HA       ASN  29   0.789  -6.564  -5.874
   57   1HB   ASN  29          1HB       ASN  29  -0.293  -5.574  -3.797
   58   2HB   ASN  29          2HB       ASN  29  -1.514  -4.920  -4.852
   59   1HD2  ASN  29          2HD2      ASN  29  -2.702  -6.489  -6.209
   60   2HD2  ASN  29          1HD2      ASN  29  -3.021  -8.013  -5.555
   61    H    LEU  30           H        LEU  30  -0.667  -3.564  -6.860
   62    HA   LEU  30           HA       LEU  30  -2.304  -4.752  -8.954
   63   1HB   LEU  30          1HB       LEU  30  -2.712  -2.614  -7.783
   64   2HB   LEU  30          2HB       LEU  30  -1.243  -1.983  -8.430
   65    HG   LEU  30           HG       LEU  30  -3.449  -2.913 -10.327
   66   1HD1  LEU  30          1HD1      LEU  30  -3.247  -0.259  -8.826
   67   2HD1  LEU  30          2HD1      LEU  30  -4.134  -0.397 -10.329
   68   3HD1  LEU  30          3HD1      LEU  30  -4.624  -1.336  -8.937
   69   1HD2  LEU  30          1HD2      LEU  30  -0.917  -1.289 -10.543
   70   2HD2  LEU  30          2HD2      LEU  30  -1.647  -2.375 -11.710
   71   3HD2  LEU  30          3HD2      LEU  30  -2.259  -0.748 -11.526
   72    H    LEU  31           H        LEU  31   0.980  -3.858  -8.574
   73    HA   LEU  31           HA       LEU  31   1.562  -3.781 -11.481
   74   1HB   LEU  31          1HB       LEU  31   2.837  -2.269 -10.093
   75   2HB   LEU  31          2HB       LEU  31   3.232  -3.523  -8.955
   76    HG   LEU  31           HG       LEU  31   4.281  -4.373 -11.534
   77   1HD1  LEU  31          1HD1      LEU  31   5.000  -1.515 -10.850
   78   2HD1  LEU  31          2HD1      LEU  31   5.740  -2.508 -12.098
   79   3HD1  LEU  31          3HD1      LEU  31   4.056  -2.045 -12.232
   80   1HD2  LEU  31          1HD2      LEU  31   5.111  -4.484  -8.906
   81   2HD2  LEU  31          2HD2      LEU  31   6.153  -4.798 -10.276
   82   3HD2  LEU  31          3HD2      LEU  31   6.153  -3.217  -9.523
   83    H    THR  32           H        THR  32   2.068  -6.108  -8.829
   84    HA   THR  32           HA       THR  32   3.696  -7.792 -10.514
   85    HB   THR  32           HB       THR  32   3.262  -7.933  -7.945
   86    HG1  THR  32           HG1      THR  32   4.422  -9.619  -8.465
   87   1HG2  THR  32          1HG2      THR  32   0.679  -8.383  -8.225
   88   2HG2  THR  32          2HG2      THR  32   1.141  -9.949  -8.880
   89   3HG2  THR  32          3HG2      THR  32   1.545  -9.534  -7.225
   90    H    ARG  33           H        ARG  33   0.277  -7.235 -10.238
   91    HA   ARG  33           HA       ARG  33  -0.552  -9.497 -11.770
   92   1HB   ARG  33          1HB       ARG  33  -1.855  -6.798 -11.235
   93   2HB   ARG  33          2HB       ARG  33  -2.690  -8.130 -12.021
   94   1HG   ARG  33          1HG       ARG  33  -2.206  -9.566 -10.056
   95   2HG   ARG  33          2HG       ARG  33  -1.415  -8.230  -9.255
   96   1HD   ARG  33          1HD       ARG  33  -3.358  -7.305  -8.586
   97   2HD   ARG  33          2HD       ARG  33  -4.088  -7.420 -10.171
   98    HE   ARG  33           HE       ARG  33  -3.798  -9.671  -8.224
   99   1HH1  ARG  33          1HH1      ARG  33  -5.631  -8.102 -10.712
  100   2HH1  ARG  33          2HH1      ARG  33  -6.951  -9.190 -10.661
  101   1HH2  ARG  33          1HH2      ARG  33  -5.475 -11.152  -8.137
  102   2HH2  ARG  33          2HH2      ARG  33  -6.842 -11.005  -9.157
  103    H    GLN  34           H        GLN  34   0.317  -6.296 -12.643
  104    HA   GLN  34           HA       GLN  34  -0.384  -6.787 -15.508
  105   1HB   GLN  34          1HB       GLN  34  -0.245  -4.467 -15.765
  106   2HB   GLN  34          2HB       GLN  34  -1.026  -4.719 -14.212
  107   1HG   GLN  34          1HG       GLN  34   0.519  -3.160 -13.467
  108   2HG   GLN  34          2HG       GLN  34   1.566  -4.563 -13.359
  109   1HE2  GLN  34          2HE2      GLN  34   0.479  -2.516 -16.114
  110   2HE2  GLN  34          1HE2      GLN  34   2.055  -2.293 -16.689
  111    H    ARG  35           H        ARG  35   2.257  -6.714 -13.413
  112    HA   ARG  35           HA       ARG  35   4.173  -6.651 -15.670
  113   1HB   ARG  35          1HB       ARG  35   4.342  -5.217 -13.484
  114   2HB   ARG  35          2HB       ARG  35   4.881  -6.683 -12.705
  115   1HG   ARG  35          1HG       ARG  35   6.980  -6.259 -13.408
  116   2HG   ARG  35          2HG       ARG  35   6.458  -6.537 -15.052
  117   1HD   ARG  35          1HD       ARG  35   5.533  -4.014 -14.777
  118   2HD   ARG  35          2HD       ARG  35   6.819  -3.887 -13.613
  119    HE   ARG  35           HE       ARG  35   7.002  -4.418 -16.521
  120   1HH1  ARG  35          1HH1      ARG  35   8.639  -4.145 -13.508
  121   2HH1  ARG  35          2HH1      ARG  35  10.192  -3.857 -14.170
  122   1HH2  ARG  35          1HH2      ARG  35   9.019  -4.074 -17.488
  123   2HH2  ARG  35          2HH2      ARG  35  10.406  -3.850 -16.524
  124    H    TYR  36           H        TYR  36   3.609  -8.779 -12.800
  125    HA   TYR  36           HA       TYR  36   5.453 -10.702 -14.009
  126   1HB   TYR  36          1HB       TYR  36   3.854 -10.410 -11.437
  127   2HB   TYR  36          2HB       TYR  36   4.131 -12.025 -12.014
  128    HD1  TYR  36           HD1      TYR  36   5.788  -8.823 -11.211
  129    HD2  TYR  36           HD2      TYR  36   6.344 -12.995 -11.779
  130    HE1  TYR  36           HE1      TYR  36   8.064  -8.609 -10.402
  131    HE2  TYR  36           HE2      TYR  36   8.637 -12.796 -10.967
  132    HH   TYR  36           HH       TYR  36   9.809  -9.997  -9.415
  133   1HN   NH2  37          1HN       NH2  37   2.174  -9.728 -14.060
  134   2HN   NH2  37          2HN       NH2  37   1.572 -10.969 -15.033
  Start of MODEL   18
    1   1H    ACE  23          1HA       ACE  23  -1.654  -0.208   1.620
    2   2H    ACE  23          2HA       ACE  23  -2.987   0.445   0.665
    3   3H    ACE  23          3HA       ACE  23  -1.797   1.535   1.365
    4    H    LEU  24           H        LEU  24   0.580   0.636   0.688
    5    HA   LEU  24           HA       LEU  24   0.886   1.241  -2.015
    6   1HB   LEU  24          1HB       LEU  24   2.553   1.441  -0.087
    7   2HB   LEU  24          2HB       LEU  24   2.769  -0.282  -0.129
    8    HG   LEU  24           HG       LEU  24   4.486   1.395  -1.283
    9   1HD1  LEU  24          1HD1      LEU  24   3.600  -1.337  -2.057
   10   2HD1  LEU  24          2HD1      LEU  24   4.631  -0.511  -3.215
   11   3HD1  LEU  24          3HD1      LEU  24   5.177  -0.752  -1.569
   12   1HD2  LEU  24          1HD2      LEU  24   2.641   2.447  -2.744
   13   2HD2  LEU  24          2HD2      LEU  24   4.114   1.973  -3.559
   14   3HD2  LEU  24          3HD2      LEU  24   2.688   0.964  -3.688
   15    H    ARG  25           H        ARG  25  -0.147  -1.472  -0.709
   16    HA   ARG  25           HA       ARG  25   0.868  -3.432  -2.612
   17   1HB   ARG  25          1HB       ARG  25  -1.119  -3.447  -0.363
   18   2HB   ARG  25          2HB       ARG  25  -1.693  -4.391  -1.710
   19   1HG   ARG  25          1HG       ARG  25  -0.413  -5.877  -0.353
   20   2HG   ARG  25          2HG       ARG  25   0.489  -5.596  -1.819
   21   1HD   ARG  25          1HD       ARG  25   2.214  -4.900  -0.597
   22   2HD   ARG  25          2HD       ARG  25   1.309  -3.480  -0.092
   23    HE   ARG  25           HE       ARG  25   0.262  -5.044   1.661
   24   1HH1  ARG  25          1HH1      ARG  25   3.534  -5.309   0.555
   25   2HH1  ARG  25          2HH1      ARG  25   4.122  -6.067   1.965
   26   1HH2  ARG  25          1HH2      ARG  25   0.984  -6.032   3.563
   27   2HH2  ARG  25          2HH2      ARG  25   2.624  -6.469   3.739
   28    H    HIS  26           H        HIS  26  -1.878  -1.278  -2.317
   29    HA   HIS  26           HA       HIS  26  -3.388  -2.047  -4.462
   30   1HB   HIS  26          1HB       HIS  26  -3.769  -0.027  -2.898
   31   2HB   HIS  26          2HB       HIS  26  -2.749   0.880  -4.011
   32    HD1  HIS  26           HD1      HIS  26  -3.791   1.431  -6.294
   33    HD2  HIS  26           HD2      HIS  26  -6.108  -1.077  -3.942
   34    HE1  HIS  26           HE1      HIS  26  -6.036   1.194  -7.349
   35    H    TYR  27           H        TYR  27  -0.291  -0.557  -4.493
   36    HA   TYR  27           HA       TYR  27  -0.286  -0.346  -7.458
   37   1HB   TYR  27          1HB       TYR  27  -0.007   1.781  -6.263
   38   2HB   TYR  27          2HB       TYR  27   1.246   1.097  -5.264
   39    HD1  TYR  27           HD1      TYR  27   0.463   2.358  -8.637
   40    HD2  TYR  27           HD2      TYR  27   3.542   0.957  -6.049
   41    HE1  TYR  27           HE1      TYR  27   2.158   3.220 -10.184
   42    HE2  TYR  27           HE2      TYR  27   5.228   1.816  -7.607
   43    HH   TYR  27           HH       TYR  27   4.623   2.664 -10.718
   44    H    LEU  28           H        LEU  28   1.365  -1.962  -4.879
   45    HA   LEU  28           HA       LEU  28   3.564  -2.781  -6.657
   46   1HB   LEU  28          1HB       LEU  28   3.467  -2.285  -4.032
   47   2HB   LEU  28          2HB       LEU  28   3.012  -3.945  -3.958
   48    HG   LEU  28           HG       LEU  28   5.094  -4.417  -5.535
   49   1HD1  LEU  28          1HD1      LEU  28   5.453  -1.844  -5.855
   50   2HD1  LEU  28          2HD1      LEU  28   6.140  -1.862  -4.239
   51   3HD1  LEU  28          3HD1      LEU  28   6.872  -2.807  -5.523
   52   1HD2  LEU  28          1HD2      LEU  28   5.409  -3.647  -2.601
   53   2HD2  LEU  28          2HD2      LEU  28   5.023  -5.240  -3.239
   54   3HD2  LEU  28          3HD2      LEU  28   6.609  -4.546  -3.513
   55    H    ASN  29           H        ASN  29   0.754  -3.830  -5.048
   56    HA   ASN  29           HA       ASN  29   0.983  -6.593  -5.882
   57   1HB   ASN  29          1HB       ASN  29  -0.370  -5.763  -3.900
   58   2HB   ASN  29          2HB       ASN  29  -1.494  -5.067  -5.047
   59   1HD2  ASN  29          2HD2      ASN  29  -2.251  -6.732  -6.774
   60   2HD2  ASN  29          1HD2      ASN  29  -2.751  -8.218  -6.090
   61    H    LEU  30           H        LEU  30  -0.695  -3.695  -6.984
   62    HA   LEU  30           HA       LEU  30  -2.028  -5.011  -9.176
   63   1HB   LEU  30          1HB       LEU  30  -2.600  -2.800  -8.242
   64   2HB   LEU  30          2HB       LEU  30  -1.095  -2.144  -8.802
   65    HG   LEU  30           HG       LEU  30  -2.767  -3.489 -10.949
   66   1HD1  LEU  30          1HD1      LEU  30  -3.517  -0.780  -9.773
   67   2HD1  LEU  30          2HD1      LEU  30  -4.198  -1.493 -11.228
   68   3HD1  LEU  30          3HD1      LEU  30  -4.492  -2.235  -9.667
   69   1HD2  LEU  30          1HD2      LEU  30  -1.033  -0.982 -10.753
   70   2HD2  LEU  30          2HD2      LEU  30  -0.715  -2.437 -11.681
   71   3HD2  LEU  30          3HD2      LEU  30  -1.994  -1.352 -12.173
   72    H    LEU  31           H        LEU  31   1.134  -3.827  -8.540
   73    HA   LEU  31           HA       LEU  31   2.064  -3.755 -11.304
   74   1HB   LEU  31          1HB       LEU  31   3.127  -3.084  -8.736
   75   2HB   LEU  31          2HB       LEU  31   4.146  -4.381  -9.255
   76    HG   LEU  31           HG       LEU  31   5.099  -2.230  -9.943
   77   1HD1  LEU  31          1HD1      LEU  31   5.302  -4.145 -11.558
   78   2HD1  LEU  31          2HD1      LEU  31   3.918  -3.528 -12.442
   79   3HD1  LEU  31          3HD1      LEU  31   5.383  -2.568 -12.333
   80   1HD2  LEU  31          1HD2      LEU  31   2.427  -1.679 -11.319
   81   2HD2  LEU  31          2HD2      LEU  31   3.115  -0.821  -9.954
   82   3HD2  LEU  31          3HD2      LEU  31   3.875  -0.716 -11.530
   83    H    THR  32           H        THR  32   1.824  -6.241  -8.909
   84    HA   THR  32           HA       THR  32   3.396  -8.069 -10.579
   85    HB   THR  32           HB       THR  32   2.991  -8.160  -8.023
   86    HG1  THR  32           HG1      THR  32   3.878 -10.040  -8.470
   87   1HG2  THR  32          1HG2      THR  32   0.249  -8.647  -8.741
   88   2HG2  THR  32          2HG2      THR  32   0.895 -10.228  -8.379
   89   3HG2  THR  32          3HG2      THR  32   0.959  -8.955  -7.176
   90    H    ARG  33           H        ARG  33   0.184  -6.840 -10.543
   91    HA   ARG  33           HA       ARG  33  -0.915  -9.118 -12.013
   92   1HB   ARG  33          1HB       ARG  33  -2.035  -6.276 -11.725
   93   2HB   ARG  33          2HB       ARG  33  -2.887  -7.645 -12.400
   94   1HG   ARG  33          1HG       ARG  33  -2.347  -8.811 -10.091
   95   2HG   ARG  33          2HG       ARG  33  -2.058  -7.184  -9.524
   96   1HD   ARG  33          1HD       ARG  33  -4.419  -6.730 -10.754
   97   2HD   ARG  33          2HD       ARG  33  -4.648  -8.437 -10.500
   98    HE   ARG  33           HE       ARG  33  -4.184  -6.342  -8.405
   99   1HH1  ARG  33          1HH1      ARG  33  -5.146  -9.584  -9.197
  100   2HH1  ARG  33          2HH1      ARG  33  -5.811  -9.923  -7.664
  101   1HH2  ARG  33          1HH2      ARG  33  -5.008  -6.735  -6.393
  102   2HH2  ARG  33          2HH2      ARG  33  -5.679  -8.261  -6.011
  103    H    GLN  34           H        GLN  34   0.648  -6.080 -12.883
  104    HA   GLN  34           HA       GLN  34  -0.006  -6.590 -15.722
  105   1HB   GLN  34          1HB       GLN  34   1.514  -4.254 -14.614
  106   2HB   GLN  34          2HB       GLN  34   0.537  -4.324 -16.074
  107   1HG   GLN  34          1HG       GLN  34  -0.529  -4.503 -13.215
  108   2HG   GLN  34          2HG       GLN  34  -0.472  -3.047 -14.125
  109   1HE2  GLN  34          2HE2      GLN  34  -1.364  -4.715 -16.664
  110   2HE2  GLN  34          1HE2      GLN  34  -3.013  -4.954 -16.362
  111    H    ARG  35           H        ARG  35   2.769  -6.475 -13.493
  112    HA   ARG  35           HA       ARG  35   4.563  -6.894 -15.792
  113   1HB   ARG  35          1HB       ARG  35   4.860  -5.510 -13.426
  114   2HB   ARG  35          2HB       ARG  35   5.502  -7.048 -12.943
  115   1HG   ARG  35          1HG       ARG  35   7.460  -6.013 -13.819
  116   2HG   ARG  35          2HG       ARG  35   6.888  -6.836 -15.247
  117   1HD   ARG  35          1HD       ARG  35   6.629  -4.835 -16.341
  118   2HD   ARG  35          2HD       ARG  35   5.492  -4.289 -15.140
  119    HE   ARG  35           HE       ARG  35   7.402  -3.567 -13.729
  120   1HH1  ARG  35          1HH1      ARG  35   7.991  -3.925 -17.135
  121   2HH1  ARG  35          2HH1      ARG  35   9.302  -2.836 -17.165
  122   1HH2  ARG  35          1HH2      ARG  35   9.097  -2.158 -13.716
  123   2HH2  ARG  35          2HH2      ARG  35   9.959  -1.814 -15.159
  124    H    TYR  36           H        TYR  36   3.452  -8.835 -12.912
  125    HA   TYR  36           HA       TYR  36   5.022 -11.079 -13.938
  126   1HB   TYR  36          1HB       TYR  36   3.377 -10.428 -11.494
  127   2HB   TYR  36          2HB       TYR  36   3.291 -12.072 -12.036
  128    HD1  TYR  36           HD1      TYR  36   5.343 -13.465 -12.051
  129    HD2  TYR  36           HD2      TYR  36   5.426  -9.418 -10.757
  130    HE1  TYR  36           HE1      TYR  36   7.526 -13.829 -11.073
  131    HE2  TYR  36           HE2      TYR  36   7.611  -9.756  -9.770
  132    HH   TYR  36           HH       TYR  36   9.124 -12.947  -9.640
  133   1HN   NH2  37          1HN       NH2  37   2.253  -9.531 -14.867
  134   2HN   NH2  37          2HN       NH2  37   1.419 -10.827 -15.559
  Start of MODEL   19
    1   1H    ACE  23          1HA       ACE  23  -2.147   1.449   1.013
    2   2H    ACE  23          2HA       ACE  23  -2.655  -0.231   0.792
    3   3H    ACE  23          3HA       ACE  23  -3.419   1.056  -0.140
    4    H    LEU  24           H        LEU  24   0.056   0.687   0.488
    5    HA   LEU  24           HA       LEU  24   0.753   1.189  -2.181
    6   1HB   LEU  24          1HB       LEU  24   2.174   1.435  -0.100
    7   2HB   LEU  24          2HB       LEU  24   2.309  -0.302  -0.024
    8    HG   LEU  24           HG       LEU  24   3.064   0.690  -2.713
    9   1HD1  LEU  24          1HD1      LEU  24   4.548   1.871  -0.325
   10   2HD1  LEU  24          2HD1      LEU  24   5.122   1.908  -1.983
   11   3HD1  LEU  24          3HD1      LEU  24   3.659   2.765  -1.544
   12   1HD2  LEU  24          1HD2      LEU  24   3.675  -1.522  -1.718
   13   2HD2  LEU  24          2HD2      LEU  24   5.094  -0.616  -2.219
   14   3HD2  LEU  24          3HD2      LEU  24   4.661  -0.699  -0.518
   15    H    ARG  25           H        ARG  25  -0.550  -1.435  -0.932
   16    HA   ARG  25           HA       ARG  25   0.693  -3.510  -2.574
   17   1HB   ARG  25          1HB       ARG  25  -1.692  -3.353  -0.720
   18   2HB   ARG  25          2HB       ARG  25  -1.954  -4.417  -2.079
   19   1HG   ARG  25          1HG       ARG  25  -0.972  -5.791  -0.417
   20   2HG   ARG  25          2HG       ARG  25   0.279  -5.519  -1.596
   21   1HD   ARG  25          1HD       ARG  25   1.598  -4.765   0.082
   22   2HD   ARG  25          2HD       ARG  25   0.585  -3.317   0.160
   23    HE   ARG  25           HE       ARG  25  -0.773  -5.341   1.553
   24   1HH1  ARG  25          1HH1      ARG  25   2.146  -3.573   1.721
   25   2HH1  ARG  25          2HH1      ARG  25   2.317  -3.626   3.426
   26   1HH2  ARG  25          1HH2      ARG  25  -0.665  -5.508   3.808
   27   2HH2  ARG  25          2HH2      ARG  25   0.625  -4.782   4.664
   28    H    HIS  26           H        HIS  26  -2.050  -1.320  -2.699
   29    HA   HIS  26           HA       HIS  26  -3.193  -2.043  -5.098
   30   1HB   HIS  26          1HB       HIS  26  -3.918  -0.118  -3.560
   31   2HB   HIS  26          2HB       HIS  26  -2.704   0.873  -4.367
   32    HD1  HIS  26           HD1      HIS  26  -3.234   1.545  -6.798
   33    HD2  HIS  26           HD2      HIS  26  -5.966  -1.098  -5.134
   34    HE1  HIS  26           HE1      HIS  26  -5.210   1.359  -8.318
   35    H    TYR  27           H        TYR  27  -0.059  -0.811  -4.581
   36    HA   TYR  27           HA       TYR  27   0.305  -0.407  -7.489
   37   1HB   TYR  27          1HB       TYR  27   0.580   1.689  -6.170
   38   2HB   TYR  27          2HB       TYR  27   1.656   0.864  -5.062
   39    HD1  TYR  27           HD1      TYR  27   1.380   2.243  -8.487
   40    HD2  TYR  27           HD2      TYR  27   4.009   0.624  -5.549
   41    HE1  TYR  27           HE1      TYR  27   3.313   2.986  -9.796
   42    HE2  TYR  27           HE2      TYR  27   5.935   1.373  -6.872
   43    HH   TYR  27           HH       TYR  27   5.995   1.973  -9.816
   44    H    LEU  28           H        LEU  28   1.528  -2.154  -4.804
   45    HA   LEU  28           HA       LEU  28   3.847  -3.075  -6.382
   46   1HB   LEU  28          1HB       LEU  28   3.610  -2.582  -3.775
   47   2HB   LEU  28          2HB       LEU  28   2.975  -4.192  -3.728
   48    HG   LEU  28           HG       LEU  28   5.095  -4.926  -5.088
   49   1HD1  LEU  28          1HD1      LEU  28   5.750  -2.078  -4.331
   50   2HD1  LEU  28          2HD1      LEU  28   7.047  -3.255  -4.268
   51   3HD1  LEU  28          3HD1      LEU  28   6.185  -2.983  -5.768
   52   1HD2  LEU  28          1HD2      LEU  28   5.333  -3.999  -2.185
   53   2HD2  LEU  28          2HD2      LEU  28   4.730  -5.558  -2.729
   54   3HD2  LEU  28          3HD2      LEU  28   6.417  -5.142  -2.959
   55    H    ASN  29           H        ASN  29   0.943  -3.996  -4.998
   56    HA   ASN  29           HA       ASN  29   0.956  -6.780  -5.770
   57   1HB   ASN  29          1HB       ASN  29  -0.202  -5.819  -3.758
   58   2HB   ASN  29          2HB       ASN  29  -1.367  -5.106  -4.857
   59   1HD2  ASN  29          2HD2      ASN  29  -2.486  -6.676  -6.352
   60   2HD2  ASN  29          1HD2      ASN  29  -2.912  -8.163  -5.666
   61    H    LEU  30           H        LEU  30  -0.282  -3.801  -7.038
   62    HA   LEU  30           HA       LEU  30  -1.816  -5.201  -9.130
   63   1HB   LEU  30          1HB       LEU  30  -2.374  -3.043  -7.877
   64   2HB   LEU  30          2HB       LEU  30  -1.097  -2.289  -8.771
   65    HG   LEU  30           HG       LEU  30  -3.494  -3.716 -10.071
   66   1HD1  LEU  30          1HD1      LEU  30  -3.221  -0.807  -9.164
   67   2HD1  LEU  30          2HD1      LEU  30  -4.478  -1.354 -10.265
   68   3HD1  LEU  30          3HD1      LEU  30  -4.412  -1.967  -8.625
   69   1HD2  LEU  30          1HD2      LEU  30  -1.277  -1.923 -11.077
   70   2HD2  LEU  30          2HD2      LEU  30  -1.975  -3.355 -11.815
   71   3HD2  LEU  30          3HD2      LEU  30  -2.841  -1.835 -11.871
   72    H    LEU  31           H        LEU  31   1.332  -4.063  -8.440
   73    HA   LEU  31           HA       LEU  31   2.241  -3.725 -11.205
   74   1HB   LEU  31          1HB       LEU  31   3.365  -3.237  -8.582
   75   2HB   LEU  31          2HB       LEU  31   4.354  -4.470  -9.237
   76    HG   LEU  31           HG       LEU  31   5.222  -2.172  -9.704
   77   1HD1  LEU  31          1HD1      LEU  31   5.592  -4.207 -11.280
   78   2HD1  LEU  31          2HD1      LEU  31   4.426  -3.432 -12.344
   79   3HD1  LEU  31          3HD1      LEU  31   5.917  -2.607 -11.927
   80   1HD2  LEU  31          1HD2      LEU  31   2.876  -1.152 -10.023
   81   2HD2  LEU  31          2HD2      LEU  31   4.115  -0.622 -11.142
   82   3HD2  LEU  31          3HD2      LEU  31   2.918  -1.780 -11.662
   83    H    THR  32           H        THR  32   2.557  -6.255  -8.723
   84    HA   THR  32           HA       THR  32   3.859  -8.009 -10.564
   85    HB   THR  32           HB       THR  32   3.942  -8.243  -8.176
   86    HG1  THR  32           HG1      THR  32   3.048 -10.241  -9.852
   87   1HG2  THR  32          1HG2      THR  32   0.955  -8.884  -8.305
   88   2HG2  THR  32          2HG2      THR  32   1.972  -9.245  -6.920
   89   3HG2  THR  32          3HG2      THR  32   1.738  -7.585  -7.425
   90    H    ARG  33           H        ARG  33   0.575  -7.040 -10.126
   91    HA   ARG  33           HA       ARG  33  -0.502  -9.326 -11.630
   92   1HB   ARG  33          1HB       ARG  33  -1.769  -6.695 -10.769
   93   2HB   ARG  33          2HB       ARG  33  -2.648  -7.965 -11.582
   94   1HG   ARG  33          1HG       ARG  33  -1.046  -8.675  -9.121
   95   2HG   ARG  33          2HG       ARG  33  -2.533  -7.811  -8.901
   96   1HD   ARG  33          1HD       ARG  33  -3.819  -9.660  -9.527
   97   2HD   ARG  33          2HD       ARG  33  -2.718 -10.133 -10.796
   98    HE   ARG  33           HE       ARG  33  -1.163 -11.001  -9.085
   99   1HH1  ARG  33          1HH1      ARG  33  -4.518 -10.649  -8.251
  100   2HH1  ARG  33          2HH1      ARG  33  -4.468 -11.811  -7.013
  101   1HH2  ARG  33          1HH2      ARG  33  -1.085 -12.563  -7.461
  102   2HH2  ARG  33          2HH2      ARG  33  -2.489 -12.964  -6.566
  103    H    GLN  34           H        GLN  34   0.407  -5.987 -12.402
  104    HA   GLN  34           HA       GLN  34  -0.572  -6.404 -15.167
  105   1HB   GLN  34          1HB       GLN  34  -0.206  -4.018 -15.404
  106   2HB   GLN  34          2HB       GLN  34  -1.035  -4.312 -13.882
  107   1HG   GLN  34          1HG       GLN  34   0.575  -3.005 -12.933
  108   2HG   GLN  34          2HG       GLN  34   1.595  -4.420 -13.044
  109   1HE2  GLN  34          2HE2      GLN  34   1.841  -4.178 -16.092
  110   2HE2  GLN  34          1HE2      GLN  34   2.878  -2.846 -16.262
  111    H    ARG  35           H        ARG  35   2.249  -6.604 -13.326
  112    HA   ARG  35           HA       ARG  35   4.004  -6.403 -15.730
  113   1HB   ARG  35          1HB       ARG  35   4.458  -5.319 -13.329
  114   2HB   ARG  35          2HB       ARG  35   5.004  -6.917 -12.903
  115   1HG   ARG  35          1HG       ARG  35   7.032  -6.221 -13.690
  116   2HG   ARG  35          2HG       ARG  35   6.368  -6.541 -15.275
  117   1HD   ARG  35          1HD       ARG  35   5.406  -4.056 -15.052
  118   2HD   ARG  35          2HD       ARG  35   6.649  -3.867 -13.839
  119    HE   ARG  35           HE       ARG  35   7.063  -4.661 -16.704
  120   1HH1  ARG  35          1HH1      ARG  35   8.361  -3.265 -13.788
  121   2HH1  ARG  35          2HH1      ARG  35   9.816  -2.756 -14.523
  122   1HH2  ARG  35          1HH2      ARG  35   8.947  -4.042 -17.665
  123   2HH2  ARG  35          2HH2      ARG  35  10.164  -3.225 -16.787
  124    H    TYR  36           H        TYR  36   3.321  -8.792 -13.045
  125    HA   TYR  36           HA       TYR  36   4.662 -10.814 -14.738
  126   1HB   TYR  36          1HB       TYR  36   3.803 -10.518 -11.832
  127   2HB   TYR  36          2HB       TYR  36   3.859 -12.102 -12.521
  128    HD1  TYR  36           HD1      TYR  36   5.803  -8.995 -11.977
  129    HD2  TYR  36           HD2      TYR  36   6.038 -13.167 -12.804
  130    HE1  TYR  36           HE1      TYR  36   8.223  -8.919 -11.663
  131    HE2  TYR  36           HE2      TYR  36   8.461 -13.087 -12.492
  132    HH   TYR  36           HH       TYR  36  10.140 -11.718 -11.413
  133   1HN   NH2  37          1HN       NH2  37   2.631  -9.670 -15.946
  134   2HN   NH2  37          2HN       NH2  37   1.201 -10.584 -15.885
  Start of MODEL   20
    1   1H    ACE  23          1HA       ACE  23  -3.146   0.705   0.386
    2   2H    ACE  23          2HA       ACE  23  -1.945   1.707   1.193
    3   3H    ACE  23          3HA       ACE  23  -1.958  -0.042   1.454
    4    H    LEU  24           H        LEU  24   0.406   0.367   0.726
    5    HA   LEU  24           HA       LEU  24   0.942   1.041  -1.969
    6   1HB   LEU  24          1HB       LEU  24   2.594   1.057  -0.046
    7   2HB   LEU  24          2HB       LEU  24   2.548  -0.691  -0.025
    8    HG   LEU  24           HG       LEU  24   3.473  -0.662  -2.413
    9   1HD1  LEU  24          1HD1      LEU  24   3.612   2.342  -1.807
   10   2HD1  LEU  24          2HD1      LEU  24   4.538   1.572  -3.078
   11   3HD1  LEU  24          3HD1      LEU  24   2.793   1.577  -3.158
   12   1HD2  LEU  24          1HD2      LEU  24   4.896  -0.896  -0.339
   13   2HD2  LEU  24          2HD2      LEU  24   5.738  -0.168  -1.695
   14   3HD2  LEU  24          3HD2      LEU  24   5.160   0.838  -0.376
   15    H    ARG  25           H        ARG  25  -0.487  -1.556  -0.811
   16    HA   ARG  25           HA       ARG  25   0.515  -3.586  -2.644
   17   1HB   ARG  25          1HB       ARG  25  -1.666  -3.430  -0.609
   18   2HB   ARG  25          2HB       ARG  25  -2.210  -4.293  -2.020
   19   1HG   ARG  25          1HG       ARG  25  -1.226  -5.913  -0.587
   20   2HG   ARG  25          2HG       ARG  25  -0.174  -5.721  -1.966
   21   1HD   ARG  25          1HD       ARG  25   1.504  -5.205  -0.607
   22   2HD   ARG  25          2HD       ARG  25   0.700  -3.726  -0.108
   23    HE   ARG  25           HE       ARG  25  -0.627  -5.243   1.488
   24   1HH1  ARG  25          1HH1      ARG  25   2.685  -5.765   0.605
   25   2HH1  ARG  25          2HH1      ARG  25   3.099  -6.616   2.022
   26   1HH2  ARG  25          1HH2      ARG  25  -0.129  -6.353   3.400
   27   2HH2  ARG  25          2HH2      ARG  25   1.441  -6.962   3.661
   28    H    HIS  26           H        HIS  26  -1.797  -1.008  -2.694
   29    HA   HIS  26           HA       HIS  26  -3.165  -1.775  -5.013
   30   1HB   HIS  26          1HB       HIS  26  -3.677   0.227  -3.466
   31   2HB   HIS  26          2HB       HIS  26  -2.496   1.128  -4.413
   32    HD1  HIS  26           HD1      HIS  26  -3.195   1.679  -6.848
   33    HD2  HIS  26           HD2      HIS  26  -5.890  -0.730  -4.807
   34    HE1  HIS  26           HE1      HIS  26  -5.296   1.502  -8.183
   35    H    TYR  27           H        TYR  27   0.034  -0.768  -4.582
   36    HA   TYR  27           HA       TYR  27   0.445  -0.401  -7.519
   37   1HB   TYR  27          1HB       TYR  27   0.722   1.671  -6.341
   38   2HB   TYR  27          2HB       TYR  27   1.674   0.898  -5.092
   39    HD1  TYR  27           HD1      TYR  27   1.741   2.107  -8.592
   40    HD2  TYR  27           HD2      TYR  27   4.048   0.562  -5.351
   41    HE1  TYR  27           HE1      TYR  27   3.804   2.732  -9.753
   42    HE2  TYR  27           HE2      TYR  27   6.108   1.196  -6.533
   43    HH   TYR  27           HH       TYR  27   6.260   1.902  -9.705
   44    H    LEU  28           H        LEU  28   1.333  -2.228  -4.797
   45    HA   LEU  28           HA       LEU  28   3.822  -3.235  -6.003
   46   1HB   LEU  28          1HB       LEU  28   3.073  -2.804  -3.441
   47   2HB   LEU  28          2HB       LEU  28   2.473  -4.412  -3.596
   48    HG   LEU  28           HG       LEU  28   5.037  -4.705  -4.705
   49   1HD1  LEU  28          1HD1      LEU  28   5.507  -2.322  -3.909
   50   2HD1  LEU  28          2HD1      LEU  28   5.366  -2.914  -2.261
   51   3HD1  LEU  28          3HD1      LEU  28   6.625  -3.532  -3.315
   52   1HD2  LEU  28          1HD2      LEU  28   3.933  -6.212  -3.036
   53   2HD2  LEU  28          2HD2      LEU  28   5.611  -5.892  -2.648
   54   3HD2  LEU  28          3HD2      LEU  28   4.341  -5.071  -1.754
   55    H    ASN  29           H        ASN  29   0.579  -4.042  -5.164
   56    HA   ASN  29           HA       ASN  29   0.756  -6.718  -6.305
   57   1HB   ASN  29          1HB       ASN  29  -0.517  -6.141  -4.249
   58   2HB   ASN  29          2HB       ASN  29  -1.652  -5.270  -5.268
   59   1HD2  ASN  29          2HD2      ASN  29  -2.837  -6.458  -6.853
   60   2HD2  ASN  29          1HD2      ASN  29  -3.030  -8.150  -6.734
   61    H    LEU  30           H        LEU  30  -0.831  -3.611  -7.086
   62    HA   LEU  30           HA       LEU  30  -2.249  -4.601  -9.366
   63   1HB   LEU  30          1HB       LEU  30  -2.627  -2.445  -8.277
   64   2HB   LEU  30          2HB       LEU  30  -1.050  -1.903  -8.762
   65    HG   LEU  30           HG       LEU  30  -2.910  -2.739 -10.997
   66   1HD1  LEU  30          1HD1      LEU  30  -3.038  -0.096  -9.460
   67   2HD1  LEU  30          2HD1      LEU  30  -3.780  -0.344 -11.031
   68   3HD1  LEU  30          3HD1      LEU  30  -4.346  -1.251  -9.640
   69   1HD2  LEU  30          1HD2      LEU  30  -0.542  -0.852 -10.601
   70   2HD2  LEU  30          2HD2      LEU  30  -0.777  -2.075 -11.840
   71   3HD2  LEU  30          3HD2      LEU  30  -1.645  -0.566 -11.929
   72    H    LEU  31           H        LEU  31   0.983  -3.891  -8.707
   73    HA   LEU  31           HA       LEU  31   1.788  -3.791 -11.559
   74   1HB   LEU  31          1HB       LEU  31   2.820  -2.387  -9.675
   75   2HB   LEU  31          2HB       LEU  31   3.498  -3.849  -9.021
   76    HG   LEU  31           HG       LEU  31   4.076  -3.689 -11.891
   77   1HD1  LEU  31          1HD1      LEU  31   3.779  -1.246 -11.521
   78   2HD1  LEU  31          2HD1      LEU  31   4.948  -1.307 -10.212
   79   3HD1  LEU  31          3HD1      LEU  31   5.458  -1.633 -11.864
   80   1HD2  LEU  31          1HD2      LEU  31   5.723  -3.749  -9.338
   81   2HD2  LEU  31          2HD2      LEU  31   5.460  -5.052 -10.482
   82   3HD2  LEU  31          3HD2      LEU  31   6.479  -3.694 -10.918
   83    H    THR  32           H        THR  32   2.403  -6.029  -8.806
   84    HA   THR  32           HA       THR  32   3.816  -7.789 -10.587
   85    HB   THR  32           HB       THR  32   3.661  -7.972  -8.078
   86    HG1  THR  32           HG1      THR  32   3.104 -10.506  -8.861
   87   1HG2  THR  32          1HG2      THR  32   1.052  -8.090  -7.942
   88   2HG2  THR  32          2HG2      THR  32   1.147  -9.680  -8.663
   89   3HG2  THR  32          3HG2      THR  32   1.869  -9.378  -7.091
   90    H    ARG  33           H        ARG  33   0.484  -7.225  -9.952
   91    HA   ARG  33           HA       ARG  33  -0.644  -9.422 -11.375
   92   1HB   ARG  33          1HB       ARG  33  -1.642  -6.662 -10.643
   93   2HB   ARG  33          2HB       ARG  33  -2.680  -7.818 -11.439
   94   1HG   ARG  33          1HG       ARG  33  -1.160  -8.806  -9.021
   95   2HG   ARG  33          2HG       ARG  33  -2.347  -7.582  -8.725
   96   1HD   ARG  33          1HD       ARG  33  -3.318  -9.759 -10.492
   97   2HD   ARG  33          2HD       ARG  33  -2.832 -10.276  -8.884
   98    HE   ARG  33           HE       ARG  33  -4.571  -7.910  -9.413
   99   1HH1  ARG  33          1HH1      ARG  33  -3.959 -10.835  -7.660
  100   2HH1  ARG  33          2HH1      ARG  33  -5.262 -10.669  -6.587
  101   1HH2  ARG  33          1HH2      ARG  33  -6.350  -7.643  -8.031
  102   2HH2  ARG  33          2HH2      ARG  33  -6.699  -8.787  -6.810
  103    H    GLN  34           H        GLN  34   0.546  -6.372 -12.383
  104    HA   GLN  34           HA       GLN  34  -0.386  -7.010 -15.169
  105   1HB   GLN  34          1HB       GLN  34  -0.910  -4.854 -15.419
  106   2HB   GLN  34          2HB       GLN  34  -1.103  -4.953 -13.688
  107   1HG   GLN  34          1HG       GLN  34   0.284  -3.214 -13.442
  108   2HG   GLN  34          2HG       GLN  34   1.619  -4.203 -14.003
  109   1HE2  GLN  34          2HE2      GLN  34  -1.273  -2.950 -15.772
  110   2HE2  GLN  34          1HE2      GLN  34  -0.365  -2.118 -16.937
  111    H    ARG  35           H        ARG  35   2.295  -6.903 -13.310
  112    HA   ARG  35           HA       ARG  35   4.172  -6.441 -15.571
  113   1HB   ARG  35          1HB       ARG  35   4.452  -5.335 -13.154
  114   2HB   ARG  35          2HB       ARG  35   4.951  -6.925 -12.645
  115   1HG   ARG  35          1HG       ARG  35   7.041  -6.073 -13.167
  116   2HG   ARG  35          2HG       ARG  35   6.636  -6.743 -14.730
  117   1HD   ARG  35          1HD       ARG  35   6.202  -3.817 -13.893
  118   2HD   ARG  35          2HD       ARG  35   7.492  -4.407 -14.894
  119    HE   ARG  35           HE       ARG  35   5.950  -4.987 -16.656
  120   1HH1  ARG  35          1HH1      ARG  35   4.518  -3.303 -13.987
  121   2HH1  ARG  35          2HH1      ARG  35   3.142  -2.795 -14.876
  122   1HH2  ARG  35          1HH2      ARG  35   4.130  -4.333 -17.850
  123   2HH2  ARG  35          2HH2      ARG  35   2.911  -3.422 -17.048
  124    H    TYR  36           H        TYR  36   3.571  -8.864 -12.954
  125    HA   TYR  36           HA       TYR  36   5.290 -10.736 -14.382
  126   1HB   TYR  36          1HB       TYR  36   3.688 -10.642 -11.818
  127   2HB   TYR  36          2HB       TYR  36   3.832 -12.200 -12.564
  128    HD1  TYR  36           HD1      TYR  36   6.266 -12.957 -13.226
  129    HD2  TYR  36           HD2      TYR  36   5.452  -9.766 -10.520
  130    HE1  TYR  36           HE1      TYR  36   8.525 -13.122 -12.330
  131    HE2  TYR  36           HE2      TYR  36   7.704  -9.932  -9.631
  132    HH   TYR  36           HH       TYR  36  10.142 -11.194 -11.041
  133   1HN   NH2  37          1HN       NH2  37   2.162  -9.507 -14.658
  134   2HN   NH2  37          2HN       NH2  37   1.493 -10.718 -15.635