*HEADER    DE NOVO PROTEIN                         13-AUG-17   6ANF              
*TITLE     DESIGN OF A SHORT THERMO-STABLE ALPHA-HELIX EMBEDDED IN A MACROCYCLE  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CAPPED-STRAPPED PEPTIDE;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    DE NOVO, CONSTRAINED PEPTIDE, DE NOVO PROTEIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.WU,A.ACHARYYA,Y.WU,L.LIU,H.JO,F.GAI,W.F.DEGRADO                     
*REVDAT   1   21-FEB-18 6ANF    0                                                
# Restraints file 1: W37_NOE.tbl
assign ( resid   12 and name HB*  )   ( resid   15 and name HD4  )   3.10  1.30  2.30
assign ( resid    8 and name HB*  )   ( resid   15 and name HD4  )   3.10  1.30  2.30
assign ( resid    5 and name HE21 )   ( resid    5 and name HE22 )   2.10  0.30  0.30
assign ( resid    5 and name HG*  )   ( resid    5 and name HE21 )   2.78  0.99  0.99
assign ( resid    5 and name HG*  )   ( resid    5 and name HE22 )   2.68  0.88  0.88
assign ( resid    5 and name HN   )   ( resid    5 and name HG*  )   2.60  0.80  0.80
assign ( resid    5 and name HN   )   ( resid    5 and name HB2  )   2.61  0.81  0.81
assign ( resid    4 and name HN   )   ( resid    5 and name HN   )   2.79  1.00  1.00
assign ( resid    6 and name HN   )   ( resid    7 and name HN   )   2.77  0.97  0.97
assign ( resid    7 and name HN   )   ( resid    8 and name HN   )   2.72  0.93  0.93
assign ( resid    8 and name HN   )   ( resid    9 and name HN   )   2.69  0.89  0.89
assign ( resid    9 and name HN   )   ( resid   10 and name HN   )   2.84  1.05  1.05
assign ( resid   13 and name HN   )   ( resid   14 and name HN   )   2.60  0.80  0.80
assign ( resid   11 and name HN   )   ( resid   12 and name HN   )   2.69  0.90  0.90
assign ( resid    2 and name HN   )   ( resid    2 and name HG2* )   2.58  0.78  0.78
assign ( resid    6 and name HN   )   ( resid    6 and name HB*  )   2.55  0.75  0.75
assign ( resid    9 and name HN   )   ( resid    9 and name HB*  )   2.51  0.71  0.71
assign ( resid    2 and name HN   )   ( resid    2 and name HA   )   2.93  1.13  1.13
assign ( resid    6 and name HN   )   ( resid    6 and name HA   )   2.93  1.14  1.14
assign ( resid   14 and name HN   )   ( resid   14 and name HA   )   3.07  1.27  1.27
assign ( resid   11 and name HN   )   ( resid   11 and name HA   )   2.80  1.00  1.00
assign ( resid    8 and name HN   )   ( resid    8 and name HA   )   2.84  1.04  1.04
assign ( resid   10 and name HN   )   ( resid   10 and name HA   )   3.12  1.33  1.33
assign ( resid    7 and name HN   )   ( resid    7 and name HA   )   2.81  1.02  1.02
assign ( resid    4 and name HN   )   ( resid    4 and name HA   )   2.67  0.87  0.87
assign ( resid   13 and name HN   )   ( resid   13 and name HA   )   2.89  1.10  1.10
assign ( resid   12 and name HN   )   ( resid   12 and name HA   )   2.83  1.04  1.04
assign ( resid    5 and name HA   )   ( resid    8 and name HN   )   2.90  1.10  1.10
assign ( resid    5 and name HN   )   ( resid    5 and name HA   )   2.90  1.10  1.10
assign ( resid   14 and name HN   )   ( resid   14 and name HB*  )   2.61  0.81  0.81
assign ( resid    9 and name HN   )   ( resid    9 and name HA   )   3.04  1.25  1.25
assign ( resid   10 and name HN   )   ( resid   10 and name HB*  )   2.65  0.86  0.86
assign ( resid   12 and name HN   )   ( resid   12 and name HB*  )   2.52  0.73  0.73
assign ( resid   13 and name HN   )   ( resid   13 and name HB*  )   2.41  0.62  0.62
assign ( resid    8 and name HN   )   ( resid    8 and name HB*  )   2.44  0.65  0.65
assign ( resid   11 and name HN   )   ( resid   11 and name HB*  )   2.47  0.67  0.67
assign ( resid   10 and name HN   )   ( resid   10 and name HG1  )   3.13  1.33  1.33
assign ( resid   10 and name HN   )   ( resid   10 and name HG2  )   3.90  2.10  2.10
assign ( resid    4 and name HN   )   ( resid    4 and name HG1  )   2.69  0.90  0.90
assign ( resid    4 and name HN   )   ( resid    4 and name HB*  )   2.71  0.92  0.92
assign ( resid    4 and name HN   )   ( resid    4 and name HG2  )   3.15  1.36  1.36
assign ( resid    7 and name HN   )   ( resid    7 and name HG2  )   3.15  1.36  1.36
assign ( resid    7 and name HN   )   ( resid    7 and name HB*  )   2.71  0.92  0.92
assign ( resid    5 and name HN   )   ( resid    5 and name HB1  )   3.18  1.39  1.39
assign ( resid    2 and name HN   )   ( resid    2 and name HB   )   3.55  1.76  1.76
assign ( resid    5 and name HA   )   ( resid    5 and name HB1  )   2.89  1.10  1.10
assign ( resid    5 and name HB1  )   ( resid    5 and name HG*  )   2.68  0.88  0.88
assign ( resid    5 and name HB1  )   ( resid    5 and name HB2  )   2.37  0.57  0.57
assign ( resid    4 and name HD*  )   ( resid    4 and name HE   )   3.37  1.58  1.58
assign ( resid    7 and name HD2  )   ( resid    7 and name HE   )   3.08  1.29  1.29
assign ( resid    7 and name HD1  )   ( resid    7 and name HE   )   3.35  1.55  1.55
assign ( resid   10 and name HD1  )   ( resid   10 and name HE   )   3.35  1.55  1.55
assign ( resid   10 and name HD2  )   ( resid   10 and name HE   )   2.94  1.14  1.14
assign ( resid    9 and name HB*  )   ( resid   10 and name HN   )   3.05  1.26  1.26
assign ( resid    9 and name HB*  )   ( resid   14 and name HN   )   3.61  1.81  1.81
assign ( resid    6 and name HB*  )   ( resid    7 and name HN   )   3.55  1.75  1.75
assign ( resid   13 and name HB*  )   ( resid   14 and name HN   )   2.90  1.10  1.10
assign ( resid    8 and name HB*  )   ( resid    9 and name HN   )   2.68  0.88  0.88
assign ( resid   12 and name HB*  )   ( resid   14 and name HN   )   3.18  1.38  1.38
assign ( resid    4 and name HG1  )   ( resid    5 and name HN   )   2.86  1.06  1.06
assign ( resid   10 and name HB*  )   ( resid   11 and name HN   )   2.69  0.90  0.90
assign ( resid    7 and name HG1  )   ( resid    8 and name HN   )   3.25  1.46  1.46
assign ( resid    7 and name HB*  )   ( resid    8 and name HN   )   3.02  1.22  1.22
assign ( resid    4 and name HB*  )   ( resid    5 and name HN   )   3.02  1.22  1.22
assign ( resid    7 and name HG2  )   ( resid   11 and name HN   )   3.75  1.96  1.96
assign ( resid    2 and name HN   )   ( resid    5 and name HB2  )   2.63  0.84  0.84
assign ( resid    5 and name HB2  )   ( resid    6 and name HN   )   2.91  1.11  1.11
assign ( resid    2 and name HN   )   ( resid    5 and name HG*  )   3.25  1.45  1.45
assign ( resid    2 and name HB   )   ( resid    4 and name HN   )   3.03  1.23  1.23
assign ( resid    3 and name HA   )   ( resid    4 and name HN   )   3.29  1.49  1.49
assign ( resid    3 and name HA   )   ( resid    6 and name HN   )   3.27  1.47  1.47
assign ( resid    3 and name HA   )   ( resid    7 and name HN   )   3.68  1.88  1.88
assign ( resid    8 and name HA   )   ( resid    9 and name HN   )   3.33  1.53  1.53
assign ( resid    6 and name HA   )   ( resid    9 and name HN   )   3.13  1.33  1.33
assign ( resid   10 and name HA   )   ( resid   14 and name HN   )   3.13  1.34  1.34
assign ( resid   13 and name HA   )   ( resid   14 and name HN   )   3.36  1.57  1.57
assign ( resid   10 and name HA   )   ( resid   11 and name HN   )   3.32  1.52  1.52
assign ( resid   10 and name HA   )   ( resid   13 and name HN   )   3.13  1.34  1.34
assign ( resid   11 and name HA   )   ( resid   12 and name HN   )   3.09  1.29  1.29
assign ( resid    6 and name HA   )   ( resid    8 and name HN   )   3.20  1.40  1.40
assign ( resid    7 and name HA   )   ( resid   10 and name HN   )   3.70  1.90  1.90
assign ( resid    5 and name HA   )   ( resid    6 and name HN   )   3.56  1.77  1.77
assign ( resid    5 and name HA   )   ( resid    9 and name HN   )   3.88  2.08  2.08
assign ( resid    7 and name HA   )   ( resid   11 and name HN   )   3.90  2.10  2.10
assign ( resid    9 and name HA   )   ( resid   12 and name HN   )   3.82  2.03  2.03
assign ( resid    3 and name HB2  )   ( resid    4 and name HN   )   2.84  1.05  1.05
assign ( resid    3 and name HG2  )   ( resid    4 and name HN   )   3.74  1.95  1.95
assign ( resid    3 and name HB1  )   ( resid    4 and name HN   )   3.44  1.64  1.64
assign ( resid    2 and name HN   )   ( resid    5 and name HB1  )   3.57  1.77  1.77
assign ( resid    5 and name HB1  )   ( resid    6 and name HN   )   3.90  2.10  2.10
assign ( resid    2 and name HG2* )   ( resid    5 and name HN   )   3.88  2.08  2.08
assign ( resid    1 and name HA2  )   ( resid    2 and name HN   )   2.47  0.68  0.68
assign ( resid    1 and name HA1  )   ( resid    2 and name HN   )   2.95  1.16  1.16
assign ( resid    1 and name HG1  )   ( resid    2 and name HN   )   3.17  1.38  1.38
assign ( resid    1 and name HG1  )   ( resid    6 and name HN   )   3.52  1.73  1.73
assign ( resid    5 and name HG*  )   ( resid    6 and name HN   )   3.90  2.10  2.10
assign ( resid    1 and name HG2  )   ( resid    6 and name HN   )   3.29  1.50  1.50
assign ( resid    1 and name HA2  )   ( resid    1 and name HA1  )   2.23  0.43  0.43
assign ( resid    1 and name HG2  )   ( resid    1 and name HA2  )   3.50  1.70  1.70
assign ( resid    1 and name HB2  )   ( resid    1 and name HA2  )   2.84  1.04  1.04
assign ( resid    1 and name HG1  )   ( resid    1 and name HA2  )   3.00  1.20  1.20
assign ( resid    1 and name HG1  )   ( resid    1 and name HA1  )   3.90  2.10  2.10
assign ( resid    1 and name HB2  )   ( resid    1 and name HA1  )   2.75  0.95  0.95
assign ( resid    1 and name HG2  )   ( resid    1 and name HA1  )   3.27  1.47  1.47
assign ( resid    1 and name HG2  )   ( resid    1 and name HG1  )   2.19  0.39  0.39
assign ( resid    3 and name HB2  )   ( resid    3 and name HB1  )   2.15  0.36  0.36
assign ( resid    1 and name HG1  )   ( resid    1 and name HB1  )   2.71  0.92  0.92
assign ( resid    1 and name HG1  )   ( resid    1 and name HB2  )   2.90  1.10  1.10
assign ( resid    3 and name HG2  )   ( resid    3 and name HG1  )   2.24  0.44  0.44
assign ( resid    1 and name HG2  )   ( resid    6 and name HB*  )   2.97  1.17  1.17
assign ( resid    1 and name HG1  )   ( resid    6 and name HB*  )   3.06  1.27  1.27
assign ( resid    6 and name HA   )   ( resid    6 and name HB*  )   2.43  0.64  0.64
assign ( resid    3 and name HA   )   ( resid    6 and name HB*  )   2.80  1.01  1.01
assign ( resid   13 and name HA   )   ( resid   13 and name HB*  )   2.73  0.94  0.94
assign ( resid   12 and name HA   )   ( resid   12 and name HB*  )   2.95  1.15  1.15
assign ( resid    6 and name HA   )   ( resid    9 and name HB*  )   2.69  0.89  0.89
assign ( resid   10 and name HA   )   ( resid   13 and name HB*  )   2.95  1.16  1.16
assign ( resid   11 and name HA   )   ( resid   11 and name HB*  )   2.41  0.62  0.62
assign ( resid    7 and name HA   )   ( resid    7 and name HG2  )   2.77  0.97  0.97
assign ( resid   10 and name HA   )   ( resid   10 and name HG2  )   2.81  1.02  1.02
assign ( resid    5 and name HA   )   ( resid    5 and name HG*  )   2.61  0.82  0.82
assign ( resid    3 and name HG2  )   ( resid    3 and name HD*  )   2.44  0.64  0.64
assign ( resid    3 and name HG1  )   ( resid    3 and name HD*  )   2.49  0.70  0.70
assign ( resid    3 and name HA   )   ( resid    3 and name HB1  )   2.62  0.83  0.83
assign ( resid    3 and name HA   )   ( resid    3 and name HG1  )   3.00  1.20  1.20
assign ( resid    3 and name HA   )   ( resid    3 and name HB2  )   3.08  1.29  1.29
assign ( resid   10 and name HA   )   ( resid   10 and name HB*  )   2.51  0.72  0.72
assign ( resid   10 and name HA   )   ( resid   10 and name HG1  )   3.03  1.24  1.24
assign ( resid    4 and name HA   )   ( resid    4 and name HB*  )   2.49  0.69  0.69
assign ( resid    3 and name HB2  )   ( resid    3 and name HD*  )   2.82  1.02  1.02
assign ( resid    3 and name HB1  )   ( resid    3 and name HD*  )   2.91  1.11  1.11
assign ( resid    7 and name HA   )   ( resid    7 and name HB*  )   2.82  1.03  1.03
assign ( resid    7 and name HA   )   ( resid    7 and name HG1  )   2.56  0.77  0.77
assign ( resid    1 and name HB2  )   ( resid   15 and name HB12 )   3.01  1.21  1.21
assign ( resid    1 and name HB2  )   ( resid   15 and name HB11 )   2.72  0.92  0.92
assign ( resid    4 and name HA   )   ( resid    4 and name HG2  )   3.02  1.22  1.22
assign ( resid    4 and name HA   )   ( resid    4 and name HG1  )   2.72  0.92  0.92
assign ( resid    1 and name HG1  )   ( resid   15 and name HB12 )   3.28  1.49  1.49
assign ( resid    1 and name HG2  )   ( resid   15 and name HB12 )   3.24  1.45  1.45
assign ( resid    1 and name HB1  )   ( resid   15 and name HB12 )   3.48  1.69  1.69
assign ( resid    1 and name HB1  )   ( resid   15 and name HB11 )   3.18  1.38  1.38
assign ( resid    5 and name HA   )   ( resid    8 and name HB*  )   2.69  0.90  0.90
assign ( resid    1 and name HG1  )   ( resid   15 and name HD2  )   3.06  1.26  1.26
assign ( resid   15 and name HD1  )   ( resid   15 and name HB12 )   2.80  1.01  1.01
assign ( resid   15 and name HD2  )   ( resid   15 and name HB11 )   2.86  1.07  1.07
assign ( resid   15 and name HD2  )   ( resid   15 and name HB12 )   3.13  1.33  1.33
assign ( resid   15 and name HD1  )   ( resid   15 and name HB11 )   3.24  1.44  1.44
assign ( resid    9 and name HB*  )   ( resid   15 and name HD1  )   2.92  1.13  1.13
assign ( resid   10 and name HB*  )   ( resid   10 and name HE   )   3.08  1.29  1.29
assign ( resid    7 and name HB*  )   ( resid    7 and name HE   )   3.08  1.29  1.29
assign ( resid    9 and name HB*  )   ( resid   14 and name HB*  )   3.33  1.54  1.54
assign ( resid    9 and name HB*  )   ( resid   15 and name HB11 )   3.45  1.65  1.65
assign ( resid    9 and name HB*  )   ( resid   15 and name HB12 )   3.37  1.58  1.58
assign ( resid    9 and name HA   )   ( resid    9 and name HB*  )   3.17  1.38  1.38
assign ( resid    2 and name HN   )   ( resid    5 and name HN   )   3.45  1.66  1.66
assign ( resid    2 and name HG2* )   ( resid    5 and name HE21 )   3.65  1.86  1.86
assign ( resid    3 and name HA   )   ( resid    3 and name HD*  )   3.39  1.60  1.60
assign ( resid    2 and name HG2* )   ( resid    4 and name HN   )   3.55  1.75  1.75
assign ( resid    4 and name HA   )   ( resid    8 and name HN   )   3.43  1.64  1.64
assign ( resid    4 and name HA   )   ( resid    5 and name HN   )   3.43  1.64  1.64
assign ( resid    1 and name HG2  )   ( resid    2 and name HN   )   3.41  1.61  1.61
assign ( resid    1 and name HB1  )   ( resid    1 and name HA2  )   2.94  1.14  1.14
assign ( resid    1 and name HB1  )   ( resid    1 and name HA1  )   2.94  1.15  1.15
# Restraints file 2: W37_dih.tbl
assign ( resid    2 and name C    )   ( resid    3 and name N    ) 
        (resid    3 and name CA   )   ( resid    3 and name C    )  1  -55.48    5.75 2
assign ( resid    3 and name N    )   ( resid    3 and name CA   ) 
        (resid    3 and name C    )   ( resid    4 and name N    )  1  -36.76    5.28 2
assign ( resid    3 and name C    )   ( resid    4 and name N    ) 
        (resid    4 and name CA   )   ( resid    4 and name C    )  1  -62.21    7.85 2
assign ( resid    4 and name N    )   ( resid    4 and name CA   ) 
        (resid    4 and name C    )   ( resid    5 and name N    )  1  -41.18    7.63 2
assign ( resid    4 and name C    )   ( resid    5 and name N    ) 
        (resid    5 and name CA   )   ( resid    5 and name C    )  1  -63.84    5.65 2
assign ( resid    5 and name N    )   ( resid    5 and name CA   ) 
        (resid    5 and name C    )   ( resid    6 and name N    )  1  -36.25   12.52 2
assign ( resid    5 and name C    )   ( resid    6 and name N    ) 
        (resid    6 and name CA   )   ( resid    6 and name C    )  1  -61.90    5.89 2
assign ( resid    6 and name N    )   ( resid    6 and name CA   ) 
        (resid    6 and name C    )   ( resid    7 and name N    )  1  -40.45    6.24 2
assign ( resid    6 and name C    )   ( resid    7 and name N    ) 
        (resid    7 and name CA   )   ( resid    7 and name C    )  1  -62.41    4.22 2
assign ( resid    7 and name N    )   ( resid    7 and name CA   ) 
        (resid    7 and name C    )   ( resid    8 and name N    )  1  -41.34    9.95 2
assign ( resid    7 and name C    )   ( resid    8 and name N    ) 
        (resid    8 and name CA   )   ( resid    8 and name C    )  1  -62.87    4.53 2
assign ( resid    8 and name N    )   ( resid    8 and name CA   )  
        (resid    8 and name C    )   ( resid    9 and name N    )  1  -40.96    2.94 2
assign ( resid    8 and name C    )   ( resid    9 and name N    ) 
        (resid    9 and name CA   )   ( resid    9 and name C    )  1  -64.37    4.90 2
assign ( resid    9 and name N    )   ( resid    9 and name CA   ) 
        (resid    9 and name C    )   ( resid   10 and name N    )  1  -40.08    3.97 2
assign ( resid    9 and name C    )   ( resid   10 and name N    ) 
        (resid   10 and name CA   )   ( resid   10 and name C    )  1  -63.15    5.88 2
assign ( resid   10 and name N    )   ( resid   10 and name CA   ) 
        (resid   10 and name C    )   ( resid   11 and name N    )  1  -39.04   13.43 2
assign ( resid   10 and name C    )   ( resid   11 and name N    ) 
        (resid   11 and name CA   )   ( resid   11 and name C    )  1  -64.46    5.34 2
assign ( resid   11 and name N    )   ( resid   11 and name CA   ) 
        (resid   11 and name C    )   ( resid   12 and name N    )  1  -30.54   10.83 2
assign ( resid   11 and name C    )   ( resid   12 and name N    ) 
        (resid   12 and name CA   )   ( resid   12 and name C    )  1  -90.08   20.24 2
assign ( resid   12 and name N    )   ( resid   12 and name CA   ) 
        (resid   12 and name C    )   ( resid   13 and name N    )  1  -17.98   16.15 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA1  H00   1           HA1      H00   1   2.353  -8.137   0.325
    2    HA2  H00   1           HA2      H00   1   2.007  -6.832  -0.811
    3    HB1  H00   1           HB1      H00   1   0.940  -6.621   1.964
    4    HB2  H00   1           HB2      H00   1   0.159  -7.747   0.848
    5    HG1  H00   1           HG1      H00   1   0.570  -5.333  -0.556
    6    HG2  H00   1           HG2      H00   1  -0.112  -4.911   1.016
    7    H    THR   2           HN       THR   2   3.555  -5.348  -0.872
    8    HA   THR   2           HA       THR   2   5.496  -5.104   1.229
    9    HB   THR   2           HB       THR   2   6.525  -3.405  -0.221
   10    HG1  THR   2           HG1      THR   2   5.487  -2.815  -2.167
   11   HG21  THR   2          HG21      THR   2   6.920  -4.779  -2.209
   12   HG22  THR   2          HG22      THR   2   5.529  -5.778  -1.793
   13   HG23  THR   2          HG23      THR   2   6.945  -5.760  -0.744
   14    HA   PRO   3           HA       PRO   3   3.969  -1.769   3.718
   15    HB2  PRO   3           HB2      PRO   3   5.923   0.212   3.142
   16    HB3  PRO   3           HB1      PRO   3   5.901  -0.897   4.515
   17    HG2  PRO   3           HG2      PRO   3   7.394  -1.079   1.960
   18    HG3  PRO   3           HG1      PRO   3   7.816  -1.713   3.559
   19    HD2  PRO   3           HD2      PRO   3   6.991  -3.324   1.582
   20    HD3  PRO   3           HD1      PRO   3   6.552  -3.628   3.271
   21    H    ARG   4           HN       ARG   4   5.166  -0.681   0.519
   22    HA   ARG   4           HA       ARG   4   3.453   1.597   0.424
   23    HB2  ARG   4           HB2      ARG   4   4.847   0.110  -1.802
   24    HB3  ARG   4           HB1      ARG   4   3.995   1.636  -2.006
   25    HG2  ARG   4           HG2      ARG   4   5.526   2.685  -0.415
   26    HG3  ARG   4           HG1      ARG   4   6.353   1.132  -0.256
   27    HD2  ARG   4           HD2      ARG   4   6.051   2.579  -2.879
   28    HD3  ARG   4           HD1      ARG   4   7.439   2.799  -1.816
   29    HE   ARG   4           HE       ARG   4   6.887   0.055  -2.486
   30   HH11  ARG   4          HH11      ARG   4   8.551   2.976  -3.489
   31   HH12  ARG   4          HH12      ARG   4   9.751   2.125  -4.401
   32   HH21  ARG   4          HH21      ARG   4   8.484  -1.058  -3.693
   33   HH22  ARG   4          HH22      ARG   4   9.709  -0.160  -4.527
   34    H    GLN   5           HN       GLN   5   3.297  -1.592  -1.057
   35    HA   GLN   5           HA       GLN   5   0.881  -1.296  -2.431
   36    HB2  GLN   5           HB2      GLN   5   2.111  -3.748  -1.186
   37    HB3  GLN   5           HB1      GLN   5   0.652  -3.803  -2.168
   38    HG2  GLN   5           HG2      GLN   5   1.876  -2.956  -4.076
   39    HG3  GLN   5           HG1      GLN   5   3.335  -2.803  -3.095
   40   HE21  GLN   5          HE21      GLN   5   2.843  -4.379  -5.498
   41   HE22  GLN   5          HE22      GLN   5   3.195  -6.025  -5.074
   42    H    ALA   6           HN       ALA   6   1.420  -2.308   0.926
   43    HA   ALA   6           HA       ALA   6  -1.266  -2.980   1.488
   44    HB1  ALA   6           HB1      ALA   6   0.622  -3.718   2.870
   45    HB2  ALA   6           HB2      ALA   6  -0.621  -2.916   3.830
   46    HB3  ALA   6           HB3      ALA   6   0.863  -2.057   3.414
   47    H    ARG   7           HN       ARG   7   0.534   0.036   1.961
   48    HA   ARG   7           HA       ARG   7  -1.649   1.411   3.176
   49    HB2  ARG   7           HB2      ARG   7   0.858   2.457   1.860
   50    HB3  ARG   7           HB1      ARG   7  -0.284   3.449   2.761
   51    HG2  ARG   7           HG2      ARG   7   0.168   2.239   4.779
   52    HG3  ARG   7           HG1      ARG   7   1.152   1.083   3.871
   53    HD2  ARG   7           HD2      ARG   7   1.808   4.015   4.004
   54    HD3  ARG   7           HD1      ARG   7   2.416   2.855   5.184
   55    HE   ARG   7           HE       ARG   7   3.076   1.738   2.820
   56   HH11  ARG   7          HH11      ARG   7   3.626   4.922   4.174
   57   HH12  ARG   7          HH12      ARG   7   5.135   5.149   3.362
   58   HH21  ARG   7          HH21      ARG   7   5.086   2.048   1.743
   59   HH22  ARG   7          HH22      ARG   7   5.967   3.511   1.975
   60    H    ALA   8           HN       ALA   8  -0.367   1.195  -0.062
   61    HA   ALA   8           HA       ALA   8  -2.078   3.078  -1.281
   62    HB1  ALA   8           HB1      ALA   8  -0.843   0.613  -2.510
   63    HB2  ALA   8           HB2      ALA   8  -0.075   2.195  -2.385
   64    HB3  ALA   8           HB3      ALA   8  -1.510   1.988  -3.390
   65    H    ALA   9           HN       ALA   9  -2.402  -0.404  -0.747
   66    HA   ALA   9           HA       ALA   9  -4.882  -0.723  -2.045
   67    HB1  ALA   9           HB1      ALA   9  -3.467  -2.625  -1.503
   68    HB2  ALA   9           HB2      ALA   9  -5.051  -2.816  -0.750
   69    HB3  ALA   9           HB3      ALA   9  -3.669  -2.308   0.219
   70    H    ARG  10           HN       ARG  10  -4.012   0.006   1.299
   71    HA   ARG  10           HA       ARG  10  -6.593  -0.036   2.382
   72    HB2  ARG  10           HB2      ARG  10  -4.479  -0.048   3.680
   73    HB3  ARG  10           HB1      ARG  10  -4.231   1.634   3.239
   74    HG2  ARG  10           HG2      ARG  10  -6.214   2.285   4.443
   75    HG3  ARG  10           HG1      ARG  10  -6.571   0.591   4.797
   76    HD2  ARG  10           HD2      ARG  10  -4.141   2.118   5.713
   77    HD3  ARG  10           HD1      ARG  10  -5.531   1.692   6.713
   78    HE   ARG  10           HE       ARG  10  -4.631  -0.683   5.675
   79   HH11  ARG  10          HH11      ARG  10  -3.235   1.863   7.640
   80   HH12  ARG  10          HH12      ARG  10  -2.154   0.807   8.478
   81   HH21  ARG  10          HH21      ARG  10  -3.205  -2.082   6.771
   82   HH22  ARG  10          HH22      ARG  10  -2.135  -1.453   7.970
   83    H    ALA  11           HN       ALA  11  -4.698   2.556   0.905
   84    HA   ALA  11           HA       ALA  11  -6.522   4.642   1.423
   85    HB1  ALA  11           HB1      ALA  11  -4.505   4.424  -0.810
   86    HB2  ALA  11           HB2      ALA  11  -4.178   5.025   0.815
   87    HB3  ALA  11           HB3      ALA  11  -5.279   5.904  -0.244
   88    H    ALA  12           HN       ALA  12  -6.336   2.250  -1.122
   89    HA   ALA  12           HA       ALA  12  -8.356   3.569  -2.721
   90    HB1  ALA  12           HB1      ALA  12  -6.536   2.328  -3.801
   91    HB2  ALA  12           HB2      ALA  12  -8.116   1.679  -4.236
   92    HB3  ALA  12           HB3      ALA  12  -7.113   0.839  -3.053
   93    H    DAL  13           HN       DAL  13  -8.137   0.805  -0.550
   94    HA   DAL  13           HA       DAL  13 -11.076   0.614  -0.639
   95    HB1  DAL  13           HB1      DAL  13 -11.005  -0.114   1.682
   96    HB2  DAL  13           HB2      DAL  13 -10.231   1.460   1.494
   97    HB3  DAL  13           HB3      DAL  13  -9.246   0.009   1.678
   98    H    CYS  14           HN       CYS  14  -8.097  -1.085  -0.961
   99    HA   CYS  14           HA       CYS  14  -9.572  -3.491  -1.658
  100    HB2  CYS  14           HB2      CYS  14  -6.627  -3.467  -1.890
  101    HB3  CYS  14           HB1      CYS  14  -7.841  -4.031  -3.026
  102    HN1  NH2  15           HN1      NH2  15 -10.072  -3.874   0.719
  103    HN2  NH2  15           HN2      NH2  15  -9.211  -5.354   0.885
  104   HB11  B0I 101          HB12      B0I  15  -1.856  -8.077  -1.731
  105    H1   B0I 101          HB11      B0I  15  -0.182  -7.540  -1.599
  106    HD1  B0I 101           HD1      B0I  15  -2.497  -4.923  -2.230
  107    HD2  B0I 101           HD2      B0I  15  -0.155  -7.928  -4.094
  108    HE2  B0I 101           HE2      B0I  15  -0.338  -6.755  -6.247
  109    HZ1  B0I 101           HZ1      B0I  15  -1.609  -4.653  -6.395
  110    H2   B0I 101          HB21      B0I  15  -6.761  -3.425  -4.923
  111   HB21  B0I 101          HB22      B0I  15  -6.740  -1.819  -5.653
  112    HD3  B0I 101           HD3      B0I  15  -4.741  -4.466  -4.580
  113    HD4  B0I 101           HD4      B0I  15  -4.872  -0.214  -4.652
  114    HE4  B0I 101           HE4      B0I  15  -2.426  -0.129  -4.408
  115    HZ2  B0I 101           HZ2      B0I  15  -1.131  -2.221  -4.250
  Start of MODEL    2
    1    HA1  H00   1           HA1      H00   1   5.629  -4.334   6.316
    2    HA2  H00   1           HA2      H00   1   5.040  -4.429   4.653
    3    HB1  H00   1           HB1      H00   1   3.838  -2.613   6.744
    4    HB2  H00   1           HB2      H00   1   3.248  -4.247   6.429
    5    HG1  H00   1           HG1      H00   1   3.453  -2.970   3.928
    6    HG2  H00   1           HG2      H00   1   2.689  -1.812   5.017
    7    H    THR   2           HN       THR   2   6.124  -3.186   3.274
    8    HA   THR   2           HA       THR   2   7.840  -1.069   4.200
    9    HB   THR   2           HB       THR   2   8.473  -0.836   1.839
   10    HG1  THR   2           HG1      THR   2   7.270  -2.629   0.504
   11   HG21  THR   2          HG21      THR   2   8.141  -3.743   2.589
   12   HG22  THR   2          HG22      THR   2   9.470  -2.700   3.092
   13   HG23  THR   2          HG23      THR   2   9.266  -3.107   1.391
   14    HA   PRO   3           HA       PRO   3   5.171   2.471   3.634
   15    HB2  PRO   3           HB2      PRO   3   6.705   4.012   1.875
   16    HB3  PRO   3           HB1      PRO   3   6.849   4.029   3.637
   17    HG2  PRO   3           HG2      PRO   3   8.475   2.548   1.614
   18    HG3  PRO   3           HG1      PRO   3   9.002   3.352   3.104
   19    HD2  PRO   3           HD2      PRO   3   8.774   0.704   2.998
   20    HD3  PRO   3           HD1      PRO   3   8.276   1.596   4.450
   21    H    ARG   4           HN       ARG   4   6.672   1.056   0.795
   22    HA   ARG   4           HA       ARG   4   4.879   2.061  -1.154
   23    HB2  ARG   4           HB2      ARG   4   6.488  -0.496  -1.227
   24    HB3  ARG   4           HB1      ARG   4   5.811   0.351  -2.610
   25    HG2  ARG   4           HG2      ARG   4   7.296   2.231  -2.211
   26    HG3  ARG   4           HG1      ARG   4   7.937   1.417  -0.778
   27    HD2  ARG   4           HD2      ARG   4   8.798  -0.378  -2.134
   28    HD3  ARG   4           HD1      ARG   4   8.069   0.318  -3.580
   29    HE   ARG   4           HE       ARG   4   9.747   2.249  -2.510
   30   HH11  ARG   4          HH11      ARG   4  10.047  -0.990  -3.819
   31   HH12  ARG   4          HH12      ARG   4  11.626  -0.730  -4.467
   32   HH21  ARG   4          HH21      ARG   4  11.854   2.604  -3.373
   33   HH22  ARG   4          HH22      ARG   4  12.655   1.322  -4.215
   34    H    GLN   5           HN       GLN   5   5.109  -1.032   0.553
   35    HA   GLN   5           HA       GLN   5   2.772  -2.181  -0.528
   36    HB2  GLN   5           HB2      GLN   5   4.290  -2.727   2.018
   37    HB3  GLN   5           HB1      GLN   5   2.898  -3.680   1.514
   38    HG2  GLN   5           HG2      GLN   5   4.037  -4.454  -0.423
   39    HG3  GLN   5           HG1      GLN   5   5.361  -3.317  -0.168
   40   HE21  GLN   5          HE21      GLN   5   5.373  -6.237  -0.396
   41   HE22  GLN   5          HE22      GLN   5   6.125  -6.817   1.052
   42    H    ALA   6           HN       ALA   6   3.348  -0.219   2.344
   43    HA   ALA   6           HA       ALA   6   0.804  -0.442   3.507
   44    HB1  ALA   6           HB1      ALA   6   1.360   1.610   4.712
   45    HB2  ALA   6           HB2      ALA   6   2.699   1.908   3.604
   46    HB3  ALA   6           HB3      ALA   6   2.738   0.509   4.677
   47    H    ARG   7           HN       ARG   7   2.056   1.771   1.048
   48    HA   ARG   7           HA       ARG   7  -0.229   3.390   0.864
   49    HB2  ARG   7           HB2      ARG   7   1.753   4.289  -0.009
   50    HB3  ARG   7           HB1      ARG   7   2.130   2.830  -0.911
   51    HG2  ARG   7           HG2      ARG   7   1.481   4.592  -2.411
   52    HG3  ARG   7           HG1      ARG   7   0.283   3.293  -2.403
   53    HD2  ARG   7           HD2      ARG   7  -1.109   4.617  -0.862
   54    HD3  ARG   7           HD1      ARG   7   0.071   5.925  -0.942
   55    HE   ARG   7           HE       ARG   7  -0.460   5.807  -3.460
   56   HH11  ARG   7          HH11      ARG   7  -2.772   5.250  -0.885
   57   HH12  ARG   7          HH12      ARG   7  -4.128   5.824  -1.787
   58   HH21  ARG   7          HH21      ARG   7  -2.260   6.569  -4.675
   59   HH22  ARG   7          HH22      ARG   7  -3.834   6.578  -3.966
   60    H    ALA   8           HN       ALA   8   0.880   0.574  -0.985
   61    HA   ALA   8           HA       ALA   8  -1.322   0.477  -2.748
   62    HB1  ALA   8           HB1      ALA   8   0.808  -0.650  -3.205
   63    HB2  ALA   8           HB2      ALA   8  -0.550  -1.772  -3.291
   64    HB3  ALA   8           HB3      ALA   8   0.500  -1.765  -1.874
   65    H    ALA   9           HN       ALA   9  -0.703  -0.949   0.406
   66    HA   ALA   9           HA       ALA   9  -2.886  -2.685   0.545
   67    HB1  ALA   9           HB1      ALA   9  -1.028  -2.731   2.141
   68    HB2  ALA   9           HB2      ALA   9  -2.582  -2.611   2.967
   69    HB3  ALA   9           HB3      ALA   9  -1.558  -1.186   2.803
   70    H    ARG  10           HN       ARG  10  -2.589   0.719   1.461
   71    HA   ARG  10           HA       ARG  10  -5.276   0.902   2.392
   72    HB2  ARG  10           HB2      ARG  10  -3.337   3.076   1.600
   73    HB3  ARG  10           HB1      ARG  10  -4.877   3.342   2.407
   74    HG2  ARG  10           HG2      ARG  10  -4.086   2.000   4.311
   75    HG3  ARG  10           HG1      ARG  10  -2.528   1.814   3.506
   76    HD2  ARG  10           HD2      ARG  10  -2.272   4.269   3.513
   77    HD3  ARG  10           HD1      ARG  10  -3.794   4.401   4.393
   78    HE   ARG  10           HE       ARG  10  -1.673   2.777   5.570
   79   HH11  ARG  10          HH11      ARG  10  -3.524   5.760   5.598
   80   HH12  ARG  10          HH12      ARG  10  -3.008   6.214   7.182
   81   HH21  ARG  10          HH21      ARG  10  -0.991   3.374   7.663
   82   HH22  ARG  10          HH22      ARG  10  -1.567   4.844   8.374
   83    H    ALA  11           HN       ALA  11  -3.694   1.451  -0.682
   84    HA   ALA  11           HA       ALA  11  -5.861   2.746  -1.961
   85    HB1  ALA  11           HB1      ALA  11  -4.705   2.229  -4.041
   86    HB2  ALA  11           HB2      ALA  11  -3.656   1.094  -3.191
   87    HB3  ALA  11           HB3      ALA  11  -3.568   2.818  -2.827
   88    H    ALA  12           HN       ALA  12  -4.857  -0.656  -1.815
   89    HA   ALA  12           HA       ALA  12  -7.061  -1.563  -3.412
   90    HB1  ALA  12           HB1      ALA  12  -4.925  -2.761  -3.373
   91    HB2  ALA  12           HB2      ALA  12  -6.262  -3.804  -2.889
   92    HB3  ALA  12           HB3      ALA  12  -5.173  -3.143  -1.670
   93    H    DAL  13           HN       DAL  13  -6.511  -1.037  -0.034
   94    HA   DAL  13           HA       DAL  13  -9.294  -1.726   0.476
   95    HB1  DAL  13           HB1      DAL  13  -7.289  -0.368   2.273
   96    HB2  DAL  13           HB2      DAL  13  -9.017  -0.544   2.582
   97    HB3  DAL  13           HB3      DAL  13  -8.458   0.450   1.236
   98    H    CYS  14           HN       CYS  14  -6.082  -2.473   1.770
   99    HA   CYS  14           HA       CYS  14  -6.882  -5.132   2.467
  100    HB2  CYS  14           HB2      CYS  14  -4.396  -3.597   2.362
  101    HB3  CYS  14           HB1      CYS  14  -4.469  -4.673   3.748
  102    HN1  NH2  15           HN1      NH2  15  -7.844  -5.423   5.244
  103    HN2  NH2  15           HN2      NH2  15  -8.719  -4.379   4.192
  104   HB11  B0I 101          HB12      B0I  15   1.307  -6.063   5.165
  105    H1   B0I 101          HB11      B0I  15   2.923  -5.480   4.775
  106    HD1  B0I 101           HD1      B0I  15   0.111  -4.721   2.636
  107    HD2  B0I 101           HD2      B0I  15   3.392  -7.318   3.299
  108    HE2  B0I 101           HE2      B0I  15   3.188  -8.189   1.010
  109    HZ1  B0I 101           HZ1      B0I  15   1.431  -7.324  -0.483
  110    H2   B0I 101          HB21      B0I  15  -4.685  -5.539  -0.637
  111   HB21  B0I 101          HB22      B0I  15  -4.449  -4.016   0.219
  112    HD3  B0I 101           HD3      B0I  15  -1.929  -5.889   1.510
  113    HD4  B0I 101           HD4      B0I  15  -3.082  -4.156  -2.205
  114    HE4  B0I 101           HE4      B0I  15  -0.732  -4.120  -2.922
  115    HZ2  B0I 101           HZ2      B0I  15   1.027  -4.968  -1.423
  Start of MODEL    3
    1    HA1  H00   1           HA1      H00   1   5.707  -4.336   6.209
    2    HA2  H00   1           HA2      H00   1   5.053  -4.402   4.569
    3    HB1  H00   1           HB1      H00   1   3.986  -2.564   6.711
    4    HB2  H00   1           HB2      H00   1   3.341  -4.182   6.409
    5    HG1  H00   1           HG1      H00   1   3.116  -3.386   3.964
    6    HG2  H00   1           HG2      H00   1   3.275  -1.764   4.643
    7    H    THR   2           HN       THR   2   6.145  -3.196   3.161
    8    HA   THR   2           HA       THR   2   7.940  -1.133   4.054
    9    HB   THR   2           HB       THR   2   8.547  -0.888   1.705
   10    HG1  THR   2           HG1      THR   2   7.323  -2.410   0.219
   11   HG21  THR   2          HG21      THR   2   8.105  -3.802   2.368
   12   HG22  THR   2          HG22      THR   2   9.480  -2.829   2.888
   13   HG23  THR   2          HG23      THR   2   9.242  -3.173   1.176
   14    HA   PRO   3           HA       PRO   3   5.492   2.576   3.616
   15    HB2  PRO   3           HB2      PRO   3   7.458   3.355   1.499
   16    HB3  PRO   3           HB1      PRO   3   6.856   4.295   2.873
   17    HG2  PRO   3           HG2      PRO   3   9.272   3.208   2.963
   18    HG3  PRO   3           HG1      PRO   3   8.225   3.195   4.396
   19    HD2  PRO   3           HD2      PRO   3   8.922   0.976   2.537
   20    HD3  PRO   3           HD1      PRO   3   8.591   0.930   4.278
   21    H    ARG   4           HN       ARG   4   6.647   1.074   0.605
   22    HA   ARG   4           HA       ARG   4   4.592   2.167  -1.055
   23    HB2  ARG   4           HB2      ARG   4   6.306  -0.275  -1.506
   24    HB3  ARG   4           HB1      ARG   4   5.323   0.528  -2.722
   25    HG2  ARG   4           HG2      ARG   4   6.691   2.567  -2.388
   26    HG3  ARG   4           HG1      ARG   4   7.705   1.617  -1.298
   27    HD2  ARG   4           HD2      ARG   4   8.280   0.102  -3.076
   28    HD3  ARG   4           HD1      ARG   4   7.163   0.913  -4.174
   29    HE   ARG   4           HE       ARG   4   9.059   2.752  -3.182
   30   HH11  ARG   4          HH11      ARG   4   8.769   0.057  -5.406
   31   HH12  ARG   4          HH12      ARG   4  10.043   0.608  -6.440
   32   HH21  ARG   4          HH21      ARG   4  10.739   3.486  -4.536
   33   HH22  ARG   4          HH22      ARG   4  11.173   2.571  -5.938
   34    H    GLN   5           HN       GLN   5   5.106  -0.985   0.458
   35    HA   GLN   5           HA       GLN   5   2.736  -2.195  -0.454
   36    HB2  GLN   5           HB2      GLN   5   4.380  -2.706   2.020
   37    HB3  GLN   5           HB1      GLN   5   2.997  -3.698   1.564
   38    HG2  GLN   5           HG2      GLN   5   4.094  -4.305  -0.511
   39    HG3  GLN   5           HG1      GLN   5   5.463  -3.270  -0.103
   40   HE21  GLN   5          HE21      GLN   5   5.352  -6.134  -0.616
   41   HE22  GLN   5          HE22      GLN   5   6.002  -6.900   0.797
   42    H    ALA   6           HN       ALA   6   3.389  -0.215   2.373
   43    HA   ALA   6           HA       ALA   6   0.887  -0.475   3.628
   44    HB1  ALA   6           HB1      ALA   6   1.466   1.605   4.784
   45    HB2  ALA   6           HB2      ALA   6   2.776   1.882   3.639
   46    HB3  ALA   6           HB3      ALA   6   2.840   0.502   4.735
   47    H    ARG   7           HN       ARG   7   2.087   1.786   1.185
   48    HA   ARG   7           HA       ARG   7  -0.154   3.402   0.938
   49    HB2  ARG   7           HB2      ARG   7   2.035   3.928   0.022
   50    HB3  ARG   7           HB1      ARG   7   1.927   2.557  -1.071
   51    HG2  ARG   7           HG2      ARG   7   0.116   3.554  -2.230
   52    HG3  ARG   7           HG1      ARG   7   0.058   4.831  -1.020
   53    HD2  ARG   7           HD2      ARG   7   2.332   4.289  -2.924
   54    HD3  ARG   7           HD1      ARG   7   1.171   5.605  -3.070
   55    HE   ARG   7           HE       ARG   7   2.489   5.692  -0.558
   56   HH11  ARG   7          HH11      ARG   7   2.998   6.352  -3.959
   57   HH12  ARG   7          HH12      ARG   7   4.160   7.600  -3.678
   58   HH21  ARG   7          HH21      ARG   7   4.051   7.329  -0.176
   59   HH22  ARG   7          HH22      ARG   7   4.771   8.155  -1.513
   60    H    ALA   8           HN       ALA   8   0.901   0.619  -0.900
   61    HA   ALA   8           HA       ALA   8  -1.291   0.355  -2.601
   62    HB1  ALA   8           HB1      ALA   8   0.511  -1.827  -1.561
   63    HB2  ALA   8           HB2      ALA   8   0.843  -0.792  -2.950
   64    HB3  ALA   8           HB3      ALA   8  -0.513  -1.919  -2.994
   65    H    ALA   9           HN       ALA   9  -0.752  -0.892   0.646
   66    HA   ALA   9           HA       ALA   9  -2.955  -2.606   0.834
   67    HB1  ALA   9           HB1      ALA   9  -1.076  -2.465   2.459
   68    HB2  ALA   9           HB2      ALA   9  -2.670  -2.487   3.212
   69    HB3  ALA   9           HB3      ALA   9  -1.779  -0.970   3.075
   70    H    ARG  10           HN       ARG  10  -2.636   0.839   1.533
   71    HA   ARG  10           HA       ARG  10  -5.308   1.175   2.442
   72    HB2  ARG  10           HB2      ARG  10  -3.408   3.252   1.328
   73    HB3  ARG  10           HB1      ARG  10  -4.858   3.575   2.270
   74    HG2  ARG  10           HG2      ARG  10  -3.857   2.406   4.184
   75    HG3  ARG  10           HG1      ARG  10  -2.395   2.135   3.236
   76    HD2  ARG  10           HD2      ARG  10  -3.545   4.811   4.017
   77    HD3  ARG  10           HD1      ARG  10  -2.136   4.043   4.736
   78    HE   ARG  10           HE       ARG  10  -2.304   5.159   2.018
   79   HH11  ARG  10          HH11      ARG  10  -0.366   3.895   4.659
   80   HH12  ARG  10          HH12      ARG  10   1.121   4.502   4.027
   81   HH21  ARG  10          HH21      ARG  10  -0.323   5.975   1.188
   82   HH22  ARG  10          HH22      ARG  10   1.157   5.685   2.040
   83    H    ALA  11           HN       ALA  11  -3.709   1.516  -0.666
   84    HA   ALA  11           HA       ALA  11  -5.877   2.668  -2.065
   85    HB1  ALA  11           HB1      ALA  11  -4.645   2.107  -4.079
   86    HB2  ALA  11           HB2      ALA  11  -3.601   1.022  -3.160
   87    HB3  ALA  11           HB3      ALA  11  -3.554   2.758  -2.855
   88    H    ALA  12           HN       ALA  12  -4.801  -0.706  -1.745
   89    HA   ALA  12           HA       ALA  12  -6.919  -1.660  -3.454
   90    HB1  ALA  12           HB1      ALA  12  -4.955  -3.206  -1.776
   91    HB2  ALA  12           HB2      ALA  12  -4.746  -2.754  -3.468
   92    HB3  ALA  12           HB3      ALA  12  -6.022  -3.881  -3.007
   93    H    DAL  13           HN       DAL  13  -6.779  -0.811  -0.218
   94    HA   DAL  13           HA       DAL  13  -9.420  -1.835   0.219
   95    HB1  DAL  13           HB1      DAL  13  -8.765   0.367   1.047
   96    HB2  DAL  13           HB2      DAL  13  -7.585  -0.385   2.120
   97    HB3  DAL  13           HB3      DAL  13  -9.309  -0.678   2.359
   98    H    CYS  14           HN       CYS  14  -6.281  -2.369   1.808
   99    HA   CYS  14           HA       CYS  14  -7.096  -5.089   2.416
  100    HB2  CYS  14           HB2      CYS  14  -4.571  -3.684   2.090
  101    HB3  CYS  14           HB1      CYS  14  -4.582  -4.680   3.536
  102    HN1  NH2  15           HN1      NH2  15  -5.100  -3.774   5.156
  103    HN2  NH2  15           HN2      NH2  15  -6.076  -2.359   5.001
  104   HB11  B0I 101          HB12      B0I  15  -0.212  -4.686   5.426
  105    H1   B0I 101          HB11      B0I  15   1.446  -5.078   5.856
  106    HD1  B0I 101           HD1      B0I  15  -0.701  -4.262   3.018
  107    HD2  B0I 101           HD2      B0I  15   2.867  -6.112   4.327
  108    HE2  B0I 101           HE2      B0I  15   3.219  -7.064   2.089
  109    HZ1  B0I 101           HZ1      B0I  15   1.596  -6.609   0.294
  110    H2   B0I 101          HB21      B0I  15  -4.716  -5.856  -0.813
  111   HB21  B0I 101          HB22      B0I  15  -4.792  -4.264  -0.059
  112    HD3  B0I 101           HD3      B0I  15  -2.277  -5.656   1.710
  113    HD4  B0I 101           HD4      B0I  15  -3.091  -4.411  -2.276
  114    HE4  B0I 101           HE4      B0I  15  -0.690  -4.100  -2.674
  115    HZ2  B0I 101           HZ2      B0I  15   0.927  -4.564  -0.881
  Start of MODEL    4
    1    HA1  H00   1           HA1      H00   1   6.817  -6.964   0.768
    2    HA2  H00   1           HA2      H00   1   5.539  -6.248  -0.218
    3    HB1  H00   1           HB1      H00   1   5.730  -5.893   2.771
    4    HB2  H00   1           HB2      H00   1   4.796  -7.179   2.003
    5    HG1  H00   1           HG1      H00   1   3.650  -5.309   0.685
    6    HG2  H00   1           HG2      H00   1   4.354  -4.212   1.875
    7    H    THR   2           HN       THR   2   6.487  -4.627  -1.295
    8    HA   THR   2           HA       THR   2   8.576  -3.033  -0.157
    9    HB   THR   2           HB       THR   2   8.338  -1.723  -2.288
   10    HG1  THR   2           HG1      THR   2   6.928  -2.759  -3.874
   11   HG21  THR   2          HG21      THR   2   9.865  -3.637  -2.143
   12   HG22  THR   2          HG22      THR   2   9.142  -3.526  -3.747
   13   HG23  THR   2          HG23      THR   2   8.550  -4.722  -2.593
   14    HA   PRO   3           HA       PRO   3   6.456   0.437   1.642
   15    HB2  PRO   3           HB2      PRO   3   7.742   2.131  -0.461
   16    HB3  PRO   3           HB1      PRO   3   7.692   2.368   1.293
   17    HG2  PRO   3           HG2      PRO   3   9.899   1.474   0.146
   18    HG3  PRO   3           HG1      PRO   3   9.344   0.772   1.680
   19    HD2  PRO   3           HD2      PRO   3   9.178  -0.340  -1.085
   20    HD3  PRO   3           HD1      PRO   3   9.475  -1.176   0.451
   21    H    ARG   4           HN       ARG   4   6.492   0.381  -1.916
   22    HA   ARG   4           HA       ARG   4   4.184   2.003  -2.259
   23    HB2  ARG   4           HB2      ARG   4   5.254  -0.099  -4.146
   24    HB3  ARG   4           HB1      ARG   4   4.149   1.205  -4.556
   25    HG2  ARG   4           HG2      ARG   4   5.927   2.807  -3.900
   26    HG3  ARG   4           HG1      ARG   4   7.007   1.422  -3.726
   27    HD2  ARG   4           HD2      ARG   4   7.361   2.380  -5.901
   28    HD3  ARG   4           HD1      ARG   4   6.529   0.840  -6.103
   29    HE   ARG   4           HE       ARG   4   4.522   2.693  -6.004
   30   HH11  ARG   4          HH11      ARG   4   7.368   2.228  -8.021
   31   HH12  ARG   4          HH12      ARG   4   6.674   3.007  -9.400
   32   HH21  ARG   4          HH21      ARG   4   3.611   3.739  -7.844
   33   HH22  ARG   4          HH22      ARG   4   4.535   3.866  -9.299
   34    H    GLN   5           HN       GLN   5   4.690  -1.483  -2.162
   35    HA   GLN   5           HA       GLN   5   1.985  -2.190  -2.597
   36    HB2  GLN   5           HB2      GLN   5   4.247  -3.695  -1.289
   37    HB3  GLN   5           HB1      GLN   5   2.654  -4.393  -1.567
   38    HG2  GLN   5           HG2      GLN   5   2.926  -4.034  -3.969
   39    HG3  GLN   5           HG1      GLN   5   4.525  -3.352  -3.679
   40   HE21  GLN   5          HE21      GLN   5   3.672  -5.698  -5.212
   41   HE22  GLN   5          HE22      GLN   5   4.570  -7.029  -4.565
   42    H    ALA   6           HN       ALA   6   3.819  -1.439   0.294
   43    HA   ALA   6           HA       ALA   6   1.926  -2.268   2.195
   44    HB1  ALA   6           HB1      ALA   6   3.928  -0.021   2.409
   45    HB2  ALA   6           HB2      ALA   6   4.251  -1.720   2.751
   46    HB3  ALA   6           HB3      ALA   6   3.113  -0.821   3.754
   47    H    ARG   7           HN       ARG   7   2.392   0.839   0.551
   48    HA   ARG   7           HA       ARG   7   0.242   2.160   1.870
   49    HB2  ARG   7           HB2      ARG   7   1.573   2.752  -0.773
   50    HB3  ARG   7           HB1      ARG   7   0.426   3.816   0.029
   51    HG2  ARG   7           HG2      ARG   7   1.957   3.960   1.950
   52    HG3  ARG   7           HG1      ARG   7   3.094   2.949   1.048
   53    HD2  ARG   7           HD2      ARG   7   2.035   5.509  -0.102
   54    HD3  ARG   7           HD1      ARG   7   3.418   5.506   0.988
   55    HE   ARG   7           HE       ARG   7   4.619   4.200  -0.607
   56   HH11  ARG   7          HH11      ARG   7   1.570   5.452  -1.807
   57   HH12  ARG   7          HH12      ARG   7   2.065   5.431  -3.460
   58   HH21  ARG   7          HH21      ARG   7   5.280   4.186  -2.799
   59   HH22  ARG   7          HH22      ARG   7   4.172   4.690  -4.034
   60    H    ALA   8           HN       ALA   8   0.583   0.413  -1.128
   61    HA   ALA   8           HA       ALA   8  -1.986   0.818  -2.181
   62    HB1  ALA   8           HB1      ALA   8  -0.133  -0.191  -3.445
   63    HB2  ALA   8           HB2      ALA   8  -1.588  -1.182  -3.513
   64    HB3  ALA   8           HB3      ALA   8  -0.257  -1.642  -2.452
   65    H    ALA   9           HN       ALA   9  -0.760  -1.606   0.069
   66    HA   ALA   9           HA       ALA   9  -3.142  -3.089   0.333
   67    HB1  ALA   9           HB1      ALA   9  -0.886  -2.745   2.307
   68    HB2  ALA   9           HB2      ALA   9  -0.957  -3.949   1.020
   69    HB3  ALA   9           HB3      ALA   9  -2.115  -4.009   2.350
   70    H    ARG  10           HN       ARG  10  -1.843  -0.315   2.089
   71    HA   ARG  10           HA       ARG  10  -3.838  -0.195   4.068
   72    HB2  ARG  10           HB2      ARG  10  -1.669   0.959   4.234
   73    HB3  ARG  10           HB1      ARG  10  -2.140   2.024   2.917
   74    HG2  ARG  10           HG2      ARG  10  -3.971   2.892   4.280
   75    HG3  ARG  10           HG1      ARG  10  -3.475   1.819   5.591
   76    HD2  ARG  10           HD2      ARG  10  -1.307   2.940   5.692
   77    HD3  ARG  10           HD1      ARG  10  -1.792   4.002   4.371
   78    HE   ARG  10           HE       ARG  10  -3.721   4.316   6.290
   79   HH11  ARG  10          HH11      ARG  10  -0.245   4.730   6.154
   80   HH12  ARG  10          HH12      ARG  10  -0.216   5.990   7.338
   81   HH21  ARG  10          HH21      ARG  10  -3.691   5.984   7.870
   82   HH22  ARG  10          HH22      ARG  10  -2.183   6.703   8.316
   83    H    ALA  11           HN       ALA  11  -3.518   1.280   0.886
   84    HA   ALA  11           HA       ALA  11  -5.819   2.909   1.019
   85    HB1  ALA  11           HB1      ALA  11  -4.449   1.783  -1.420
   86    HB2  ALA  11           HB2      ALA  11  -3.981   3.256  -0.572
   87    HB3  ALA  11           HB3      ALA  11  -5.545   3.164  -1.378
   88    H    ALA  12           HN       ALA  12  -5.331  -0.433   0.069
   89    HA   ALA  12           HA       ALA  12  -8.015  -0.677  -0.985
   90    HB1  ALA  12           HB1      ALA  12  -5.941  -2.814  -0.514
   91    HB2  ALA  12           HB2      ALA  12  -6.160  -1.911  -2.013
   92    HB3  ALA  12           HB3      ALA  12  -7.432  -2.990  -1.439
   93    H    DAL  13           HN       DAL  13  -6.263  -1.617   1.923
   94    HA   DAL  13           HA       DAL  13  -8.846  -2.355   3.130
   95    HB1  DAL  13           HB1      DAL  13  -7.750  -0.417   4.163
   96    HB2  DAL  13           HB2      DAL  13  -6.327  -1.404   4.498
   97    HB3  DAL  13           HB3      DAL  13  -7.862  -1.773   5.284
   98    H    CYS  14           HN       CYS  14  -5.413  -3.203   3.051
   99    HA   CYS  14           HA       CYS  14  -6.139  -5.937   3.862
  100    HB2  CYS  14           HB2      CYS  14  -3.657  -5.575   2.320
  101    HB3  CYS  14           HB1      CYS  14  -4.898  -6.811   2.181
  102    HN1  NH2  15           HN1      NH2  15  -4.479  -4.866   6.621
  103    HN2  NH2  15           HN2      NH2  15  -5.382  -6.191   5.984
  104   HB11  B0I 101          HB12      B0I  15   1.170  -7.442   2.743
  105    H1   B0I 101          HB11      B0I  15   2.808  -7.883   2.279
  106    HD1  B0I 101           HD1      B0I  15  -0.127  -6.030   1.138
  107    HD2  B0I 101           HD2      B0I  15   3.380  -8.111   0.032
  108    HE2  B0I 101           HE2      B0I  15   2.732  -7.986  -2.339
  109    HZ1  B0I 101           HZ1      B0I  15   0.634  -6.870  -2.976
  110    H2   B0I 101          HB21      B0I  15  -4.574  -7.026  -0.074
  111   HB21  B0I 101          HB22      B0I  15  -5.469  -6.115  -1.290
  112    HD3  B0I 101           HD3      B0I  15  -2.259  -7.014  -0.070
  113    HD4  B0I 101           HD4      B0I  15  -4.355  -4.031  -2.254
  114    HE4  B0I 101           HE4      B0I  15  -2.237  -3.251  -3.230
  115    HZ2  B0I 101           HZ2      B0I  15  -0.123  -4.357  -2.623
  Start of MODEL    5
    1    HA1  H00   1           HA1      H00   1   7.416  -6.836   1.413
    2    HA2  H00   1           HA2      H00   1   6.456  -6.567  -0.042
    3    HB1  H00   1           HB1      H00   1   5.659  -5.787   2.766
    4    HB2  H00   1           HB2      H00   1   5.046  -7.181   1.875
    5    HG1  H00   1           HG1      H00   1   4.414  -5.390   0.080
    6    HG2  H00   1           HG2      H00   1   4.518  -4.272   1.443
    7    H    THR   2           HN       THR   2   6.934  -4.802  -1.150
    8    HA   THR   2           HA       THR   2   8.751  -2.852  -0.137
    9    HB   THR   2           HB       THR   2   8.167  -1.672  -2.352
   10    HG1  THR   2           HG1      THR   2   7.098  -4.152  -3.139
   11   HG21  THR   2          HG21      THR   2   9.468  -3.292  -3.675
   12   HG22  THR   2          HG22      THR   2   9.244  -4.493  -2.404
   13   HG23  THR   2          HG23      THR   2  10.173  -3.031  -2.081
   14    HA   PRO   3           HA       PRO   3   6.133   0.199   1.705
   15    HB2  PRO   3           HB2      PRO   3   7.093   2.474   0.376
   16    HB3  PRO   3           HB1      PRO   3   7.749   1.797   1.870
   17    HG2  PRO   3           HG2      PRO   3   8.678   1.445  -0.943
   18    HG3  PRO   3           HG1      PRO   3   9.631   1.588   0.547
   19    HD2  PRO   3           HD2      PRO   3   9.288  -0.773  -0.639
   20    HD3  PRO   3           HD1      PRO   3   9.269  -0.633   1.133
   21    H    ARG   4           HN       ARG   4   6.582   0.357  -1.792
   22    HA   ARG   4           HA       ARG   4   4.381   1.945  -2.474
   23    HB2  ARG   4           HB2      ARG   4   5.414  -0.382  -4.102
   24    HB3  ARG   4           HB1      ARG   4   4.605   1.059  -4.698
   25    HG2  ARG   4           HG2      ARG   4   6.533   2.412  -4.007
   26    HG3  ARG   4           HG1      ARG   4   7.340   0.949  -3.444
   27    HD2  ARG   4           HD2      ARG   4   8.207   1.442  -5.607
   28    HD3  ARG   4           HD1      ARG   4   7.141   0.050  -5.778
   29    HE   ARG   4           HE       ARG   4   5.635   2.343  -6.273
   30   HH11  ARG   4          HH11      ARG   4   8.278   0.553  -7.729
   31   HH12  ARG   4          HH12      ARG   4   7.960   1.121  -9.330
   32   HH21  ARG   4          HH21      ARG   4   5.206   3.104  -8.395
   33   HH22  ARG   4          HH22      ARG   4   6.211   2.599  -9.710
   34    H    GLN   5           HN       GLN   5   4.673  -1.573  -2.178
   35    HA   GLN   5           HA       GLN   5   1.967  -2.154  -2.775
   36    HB2  GLN   5           HB2      GLN   5   4.057  -3.758  -1.303
   37    HB3  GLN   5           HB1      GLN   5   2.490  -4.387  -1.807
   38    HG2  GLN   5           HG2      GLN   5   3.051  -4.102  -4.111
   39    HG3  GLN   5           HG1      GLN   5   4.541  -3.258  -3.689
   40   HE21  GLN   5          HE21      GLN   5   4.137  -5.657  -5.278
   41   HE22  GLN   5          HE22      GLN   5   5.074  -6.901  -4.518
   42    H    ALA   6           HN       ALA   6   3.720  -1.524   0.205
   43    HA   ALA   6           HA       ALA   6   1.694  -2.270   2.010
   44    HB1  ALA   6           HB1      ALA   6   3.842  -0.178   2.364
   45    HB2  ALA   6           HB2      ALA   6   4.021  -1.903   2.690
   46    HB3  ALA   6           HB3      ALA   6   2.906  -0.933   3.655
   47    H    ARG   7           HN       ARG   7   2.448   0.826   0.463
   48    HA   ARG   7           HA       ARG   7   0.430   2.359   1.711
   49    HB2  ARG   7           HB2      ARG   7   1.611   2.707  -1.053
   50    HB3  ARG   7           HB1      ARG   7   0.728   3.927  -0.148
   51    HG2  ARG   7           HG2      ARG   7   2.469   4.052   1.493
   52    HG3  ARG   7           HG1      ARG   7   3.306   2.687   0.742
   53    HD2  ARG   7           HD2      ARG   7   3.564   4.038  -1.317
   54    HD3  ARG   7           HD1      ARG   7   2.835   5.405  -0.477
   55    HE   ARG   7           HE       ARG   7   4.889   4.697   1.138
   56   HH11  ARG   7          HH11      ARG   7   4.674   5.475  -2.284
   57   HH12  ARG   7          HH12      ARG   7   6.278   6.109  -2.380
   58   HH21  ARG   7          HH21      ARG   7   7.032   5.543   1.012
   59   HH22  ARG   7          HH22      ARG   7   7.617   6.161  -0.493
   60    H    ALA   8           HN       ALA   8   0.526   0.455  -1.226
   61    HA   ALA   8           HA       ALA   8  -2.070   1.036  -2.151
   62    HB1  ALA   8           HB1      ALA   8  -0.306   0.040  -3.539
   63    HB2  ALA   8           HB2      ALA   8  -1.795  -0.903  -3.580
   64    HB3  ALA   8           HB3      ALA   8  -0.430  -1.453  -2.608
   65    H    ALA   9           HN       ALA   9  -0.802  -1.536  -0.081
   66    HA   ALA   9           HA       ALA   9  -3.180  -2.994   0.218
   67    HB1  ALA   9           HB1      ALA   9  -2.111  -3.999   2.168
   68    HB2  ALA   9           HB2      ALA   9  -0.883  -2.733   2.159
   69    HB3  ALA   9           HB3      ALA   9  -0.979  -3.881   0.822
   70    H    ARG  10           HN       ARG  10  -1.837  -0.294   2.060
   71    HA   ARG  10           HA       ARG  10  -3.862  -0.274   4.049
   72    HB2  ARG  10           HB2      ARG  10  -2.038   1.943   3.106
   73    HB3  ARG  10           HB1      ARG  10  -3.062   2.030   4.533
   74    HG2  ARG  10           HG2      ARG  10  -1.841   0.181   5.538
   75    HG3  ARG  10           HG1      ARG  10  -0.829   0.060   4.097
   76    HD2  ARG  10           HD2      ARG  10  -0.086   2.391   4.483
   77    HD3  ARG  10           HD1      ARG  10  -1.017   2.403   5.980
   78    HE   ARG  10           HE       ARG  10   0.646   0.206   6.122
   79   HH11  ARG  10          HH11      ARG  10   1.004   3.689   5.917
   80   HH12  ARG  10          HH12      ARG  10   2.542   3.706   6.705
   81   HH21  ARG  10          HH21      ARG  10   2.657   0.220   7.170
   82   HH22  ARG  10          HH22      ARG  10   3.492   1.717   7.429
   83    H    ALA  11           HN       ALA  11  -3.616   1.100   0.860
   84    HA   ALA  11           HA       ALA  11  -5.810   2.874   1.053
   85    HB1  ALA  11           HB1      ALA  11  -4.667   1.531  -1.396
   86    HB2  ALA  11           HB2      ALA  11  -4.121   3.062  -0.711
   87    HB3  ALA  11           HB3      ALA  11  -5.745   2.928  -1.388
   88    H    ALA  12           HN       ALA  12  -5.517  -0.464  -0.105
   89    HA   ALA  12           HA       ALA  12  -8.316  -0.689  -0.698
   90    HB1  ALA  12           HB1      ALA  12  -7.830  -3.027  -1.173
   91    HB2  ALA  12           HB2      ALA  12  -6.230  -2.855  -0.453
   92    HB3  ALA  12           HB3      ALA  12  -6.630  -1.978  -1.929
   93    H    DAL  13           HN       DAL  13  -6.248  -1.485   2.005
   94    HA   DAL  13           HA       DAL  13  -8.644  -2.015   3.606
   95    HB1  DAL  13           HB1      DAL  13  -7.158  -0.223   4.369
   96    HB2  DAL  13           HB2      DAL  13  -5.833  -1.380   4.493
   97    HB3  DAL  13           HB3      DAL  13  -7.242  -1.539   5.539
   98    H    CYS  14           HN       CYS  14  -5.739  -3.492   2.424
   99    HA   CYS  14           HA       CYS  14  -6.593  -6.033   3.537
  100    HB2  CYS  14           HB2      CYS  14  -4.189  -6.371   2.116
  101    HB3  CYS  14           HB1      CYS  14  -5.813  -6.779   1.583
  102    HN1  NH2  15           HN1      NH2  15  -2.936  -5.730   3.469
  103    HN2  NH2  15           HN2      NH2  15  -3.094  -4.338   4.477
  104   HB11  B0I 101          HB12      B0I  15   1.884  -7.999   1.439
  105    H1   B0I 101          HB11      B0I  15   3.464  -7.786   0.692
  106    HD1  B0I 101           HD1      B0I  15   0.273  -6.041   0.204
  107    HD2  B0I 101           HD2      B0I  15   3.330  -8.406  -1.512
  108    HE2  B0I 101           HE2      B0I  15   2.272  -8.207  -3.725
  109    HZ1  B0I 101           HZ1      B0I  15   0.194  -6.912  -3.976
  110    H2   B0I 101          HB21      B0I  15  -4.491  -6.806  -0.437
  111   HB21  B0I 101          HB22      B0I  15  -5.470  -5.781  -1.487
  112    HD3  B0I 101           HD3      B0I  15  -2.199  -6.946  -0.751
  113    HD4  B0I 101           HD4      B0I  15  -4.337  -3.672  -2.426
  114    HE4  B0I 101           HE4      B0I  15  -2.309  -2.949  -3.608
  115    HZ2  B0I 101           HZ2      B0I  15  -0.217  -4.224  -3.364
  Start of MODEL    6
    1    HA1  H00   1           HA1      H00   1   7.260  -6.868   1.451
    2    HA2  H00   1           HA2      H00   1   6.102  -6.507   0.168
    3    HB1  H00   1           HB1      H00   1   5.883  -5.488   3.002
    4    HB2  H00   1           HB2      H00   1   5.050  -6.923   2.394
    5    HG1  H00   1           HG1      H00   1   4.033  -5.447   0.625
    6    HG2  H00   1           HG2      H00   1   4.692  -4.067   1.507
    7    H    THR   2           HN       THR   2   6.491  -4.756  -1.029
    8    HA   THR   2           HA       THR   2   8.667  -3.008  -0.307
    9    HB   THR   2           HB       THR   2   8.293  -1.967  -2.502
   10    HG1  THR   2           HG1      THR   2   6.509  -3.437  -3.670
   11   HG21  THR   2          HG21      THR   2   8.122  -4.983  -2.633
   12   HG22  THR   2          HG22      THR   2   9.599  -4.046  -2.409
   13   HG23  THR   2          HG23      THR   2   8.700  -3.926  -3.920
   14    HA   PRO   3           HA       PRO   3   6.488   0.395   1.514
   15    HB2  PRO   3           HB2      PRO   3   7.641   2.146  -0.610
   16    HB3  PRO   3           HB1      PRO   3   7.702   2.326   1.150
   17    HG2  PRO   3           HG2      PRO   3   9.848   1.511  -0.177
   18    HG3  PRO   3           HG1      PRO   3   9.419   0.777   1.379
   19    HD2  PRO   3           HD2      PRO   3   9.051  -0.297  -1.386
   20    HD3  PRO   3           HD1      PRO   3   9.526  -1.145   0.101
   21    H    ARG   4           HN       ARG   4   6.487   0.307  -2.014
   22    HA   ARG   4           HA       ARG   4   4.191   1.900  -2.421
   23    HB2  ARG   4           HB2      ARG   4   5.344  -0.265  -4.180
   24    HB3  ARG   4           HB1      ARG   4   4.196   0.965  -4.689
   25    HG2  ARG   4           HG2      ARG   4   5.846   2.702  -4.208
   26    HG3  ARG   4           HG1      ARG   4   6.972   1.445  -3.680
   27    HD2  ARG   4           HD2      ARG   4   7.117   0.541  -5.881
   28    HD3  ARG   4           HD1      ARG   4   5.789   1.553  -6.450
   29    HE   ARG   4           HE       ARG   4   7.451   3.441  -5.783
   30   HH11  ARG   4          HH11      ARG   4   8.272   0.402  -7.341
   31   HH12  ARG   4          HH12      ARG   4   9.649   1.057  -8.155
   32   HH21  ARG   4          HH21      ARG   4   9.262   4.301  -6.873
   33   HH22  ARG   4          HH22      ARG   4  10.214   3.276  -7.895
   34    H    GLN   5           HN       GLN   5   4.667  -1.596  -2.241
   35    HA   GLN   5           HA       GLN   5   1.992  -2.363  -2.651
   36    HB2  GLN   5           HB2      GLN   5   4.269  -3.686  -1.200
   37    HB3  GLN   5           HB1      GLN   5   2.677  -4.428  -1.293
   38    HG2  GLN   5           HG2      GLN   5   2.815  -4.523  -3.694
   39    HG3  GLN   5           HG1      GLN   5   4.346  -3.645  -3.670
   40   HE21  GLN   5          HE21      GLN   5   3.661  -6.326  -4.678
   41   HE22  GLN   5          HE22      GLN   5   4.750  -7.407  -3.874
   42    H    ALA   6           HN       ALA   6   3.756  -1.643   0.330
   43    HA   ALA   6           HA       ALA   6   1.721  -2.290   2.140
   44    HB1  ALA   6           HB1      ALA   6   3.888  -0.217   2.436
   45    HB2  ALA   6           HB2      ALA   6   4.036  -1.933   2.816
   46    HB3  ALA   6           HB3      ALA   6   2.939  -0.914   3.748
   47    H    ARG   7           HN       ARG   7   2.429   0.766   0.490
   48    HA   ARG   7           HA       ARG   7   0.425   2.295   1.797
   49    HB2  ARG   7           HB2      ARG   7   1.631   2.699  -0.946
   50    HB3  ARG   7           HB1      ARG   7   0.714   3.895  -0.043
   51    HG2  ARG   7           HG2      ARG   7   2.415   3.940   1.674
   52    HG3  ARG   7           HG1      ARG   7   3.309   2.678   0.817
   53    HD2  ARG   7           HD2      ARG   7   3.594   4.175  -1.088
   54    HD3  ARG   7           HD1      ARG   7   2.697   5.434  -0.241
   55    HE   ARG   7           HE       ARG   7   4.851   4.589   1.355
   56   HH11  ARG   7          HH11      ARG   7   4.222   6.413  -1.572
   57   HH12  ARG   7          HH12      ARG   7   5.648   7.379  -1.419
   58   HH21  ARG   7          HH21      ARG   7   6.742   5.851   1.545
   59   HH22  ARG   7          HH22      ARG   7   7.093   7.046   0.345
   60    H    ALA   8           HN       ALA   8   0.502   0.446  -1.176
   61    HA   ALA   8           HA       ALA   8  -2.099   1.068  -2.075
   62    HB1  ALA   8           HB1      ALA   8  -1.875  -0.890  -3.513
   63    HB2  ALA   8           HB2      ALA   8  -0.479  -1.428  -2.580
   64    HB3  ALA   8           HB3      ALA   8  -0.392   0.063  -3.516
   65    H    ALA   9           HN       ALA   9  -0.853  -1.537  -0.029
   66    HA   ALA   9           HA       ALA   9  -3.279  -2.926   0.310
   67    HB1  ALA   9           HB1      ALA   9  -0.912  -2.752   2.175
   68    HB2  ALA   9           HB2      ALA   9  -1.113  -3.909   0.860
   69    HB3  ALA   9           HB3      ALA   9  -2.196  -3.958   2.251
   70    H    ARG  10           HN       ARG  10  -1.825  -0.217   2.007
   71    HA   ARG  10           HA       ARG  10  -3.571  -0.043   4.181
   72    HB2  ARG  10           HB2      ARG  10  -1.442   1.183   3.996
   73    HB3  ARG  10           HB1      ARG  10  -2.117   2.156   2.700
   74    HG2  ARG  10           HG2      ARG  10  -3.820   2.991   4.308
   75    HG3  ARG  10           HG1      ARG  10  -2.959   2.112   5.574
   76    HD2  ARG  10           HD2      ARG  10  -2.298   4.475   5.514
   77    HD3  ARG  10           HD1      ARG  10  -0.944   3.413   5.130
   78    HE   ARG  10           HE       ARG  10  -2.128   4.111   2.719
   79   HH11  ARG  10          HH11      ARG  10  -0.493   5.784   5.340
   80   HH12  ARG  10          HH12      ARG  10   0.124   7.038   4.320
   81   HH21  ARG  10          HH21      ARG  10  -1.297   5.759   1.371
   82   HH22  ARG  10          HH22      ARG  10  -0.340   7.027   2.058
   83    H    ALA  11           HN       ALA  11  -3.677   1.453   0.970
   84    HA   ALA  11           HA       ALA  11  -6.081   2.887   1.367
   85    HB1  ALA  11           HB1      ALA  11  -4.467   3.463  -0.378
   86    HB2  ALA  11           HB2      ALA  11  -6.072   3.183  -1.054
   87    HB3  ALA  11           HB3      ALA  11  -4.822   1.948  -1.205
   88    H    ALA  12           HN       ALA  12  -5.390  -0.243  -0.155
   89    HA   ALA  12           HA       ALA  12  -8.060  -0.742  -0.948
   90    HB1  ALA  12           HB1      ALA  12  -7.315  -2.983  -1.460
   91    HB2  ALA  12           HB2      ALA  12  -5.846  -2.740  -0.516
   92    HB3  ALA  12           HB3      ALA  12  -6.108  -1.813  -1.992
   93    H    DAL  13           HN       DAL  13  -6.270  -1.504   1.983
   94    HA   DAL  13           HA       DAL  13  -8.813  -2.360   3.186
   95    HB1  DAL  13           HB1      DAL  13  -7.729  -0.420   4.212
   96    HB2  DAL  13           HB2      DAL  13  -6.299  -1.398   4.542
   97    HB3  DAL  13           HB3      DAL  13  -7.830  -1.780   5.329
   98    H    CYS  14           HN       CYS  14  -5.615  -3.427   2.436
   99    HA   CYS  14           HA       CYS  14  -6.310  -6.091   3.393
  100    HB2  CYS  14           HB2      CYS  14  -3.732  -5.729   2.038
  101    HB3  CYS  14           HB1      CYS  14  -5.011  -6.896   1.736
  102    HN1  NH2  15           HN1      NH2  15  -4.743  -6.636   5.879
  103    HN2  NH2  15           HN2      NH2  15  -5.793  -5.269   5.872
  104   HB11  B0I 101          HB12      B0I  15   1.431  -6.916   3.105
  105    H1   B0I 101          HB11      B0I  15   3.045  -7.450   2.655
  106    HD1  B0I 101           HD1      B0I  15   0.213  -5.633   1.195
  107    HD2  B0I 101           HD2      B0I  15   3.308  -8.451   0.601
  108    HE2  B0I 101           HE2      B0I  15   2.524  -8.858  -1.697
  109    HZ1  B0I 101           HZ1      B0I  15   0.561  -7.638  -2.556
  110    H2   B0I 101          HB21      B0I  15  -4.546  -6.999  -0.489
  111   HB21  B0I 101          HB22      B0I  15  -5.247  -5.949  -1.721
  112    HD3  B0I 101           HD3      B0I  15  -2.241  -7.092  -0.159
  113    HD4  B0I 101           HD4      B0I  15  -3.908  -3.954  -2.495
  114    HE4  B0I 101           HE4      B0I  15  -1.653  -3.263  -3.183
  115    HZ2  B0I 101           HZ2      B0I  15   0.316  -4.490  -2.360
  Start of MODEL    7
    1    HA1  H00   1           HA1      H00   1   4.236  -7.379  -0.838
    2    HA2  H00   1           HA2      H00   1   3.614  -5.884  -1.543
    3    HB1  H00   1           HB1      H00   1   2.924  -6.835   1.237
    4    HB2  H00   1           HB2      H00   1   1.948  -7.201  -0.188
    5    HG1  H00   1           HG1      H00   1   1.948  -4.653  -0.571
    6    HG2  H00   1           HG2      H00   1   2.457  -4.552   1.116
    7    H    THR   2           HN       THR   2   4.928  -4.218  -1.339
    8    HA   THR   2           HA       THR   2   7.068  -4.260   0.599
    9    HB   THR   2           HB       THR   2   7.773  -2.137  -0.473
   10    HG1  THR   2           HG1      THR   2   5.943  -2.301  -2.517
   11   HG21  THR   2          HG21      THR   2   8.497  -4.255  -1.469
   12   HG22  THR   2          HG22      THR   2   8.233  -3.035  -2.713
   13   HG23  THR   2          HG23      THR   2   7.033  -4.300  -2.451
   14    HA   PRO   3           HA       PRO   3   5.351  -1.800   3.860
   15    HB2  PRO   3           HB2      PRO   3   7.227   0.290   3.953
   16    HB3  PRO   3           HB1      PRO   3   7.327  -1.237   4.839
   17    HG2  PRO   3           HG2      PRO   3   8.622  -0.443   2.269
   18    HG3  PRO   3           HG1      PRO   3   9.260  -1.445   3.587
   19    HD2  PRO   3           HD2      PRO   3   8.412  -2.551   1.322
   20    HD3  PRO   3           HD1      PRO   3   8.085  -3.325   2.885
   21    H    ARG   4           HN       ARG   4   6.392  -0.108   0.955
   22    HA   ARG   4           HA       ARG   4   4.856   2.250   1.413
   23    HB2  ARG   4           HB2      ARG   4   5.891   1.189  -1.220
   24    HB3  ARG   4           HB1      ARG   4   5.418   2.845  -0.861
   25    HG2  ARG   4           HG2      ARG   4   7.252   2.949   0.800
   26    HG3  ARG   4           HG1      ARG   4   7.752   1.341   0.272
   27    HD2  ARG   4           HD2      ARG   4   8.121   2.184  -1.983
   28    HD3  ARG   4           HD1      ARG   4   7.576   3.784  -1.486
   29    HE   ARG   4           HE       ARG   4   9.816   2.702   0.000
   30   HH11  ARG   4          HH11      ARG   4   8.766   4.767  -2.634
   31   HH12  ARG   4          HH12      ARG   4  10.272   5.602  -2.749
   32   HH21  ARG   4          HH21      ARG   4  11.811   3.820  -0.143
   33   HH22  ARG   4          HH22      ARG   4  12.011   5.069  -1.322
   34    H    GLN   5           HN       GLN   5   4.410  -0.639  -0.575
   35    HA   GLN   5           HA       GLN   5   1.934   0.061  -1.703
   36    HB2  GLN   5           HB2      GLN   5   3.191  -2.615  -1.149
   37    HB3  GLN   5           HB1      GLN   5   1.653  -2.438  -1.989
   38    HG2  GLN   5           HG2      GLN   5   2.684  -1.256  -3.776
   39    HG3  GLN   5           HG1      GLN   5   4.211  -1.153  -2.899
   40   HE21  GLN   5          HE21      GLN   5   3.585  -2.305  -5.509
   41   HE22  GLN   5          HE22      GLN   5   4.104  -3.958  -5.433
   42    H    ALA   6           HN       ALA   6   2.749  -1.456   1.352
   43    HA   ALA   6           HA       ALA   6   0.188  -2.296   2.120
   44    HB1  ALA   6           HB1      ALA   6   1.045  -2.270   4.401
   45    HB2  ALA   6           HB2      ALA   6   2.417  -1.288   3.888
   46    HB3  ALA   6           HB3      ALA   6   2.247  -2.941   3.297
   47    H    ARG   7           HN       ARG   7   1.840   0.789   2.499
   48    HA   ARG   7           HA       ARG   7  -0.199   2.074   4.003
   49    HB2  ARG   7           HB2      ARG   7   1.840   3.380   2.195
   50    HB3  ARG   7           HB1      ARG   7   0.994   4.120   3.545
   51    HG2  ARG   7           HG2      ARG   7   2.185   2.716   5.108
   52    HG3  ARG   7           HG1      ARG   7   2.967   1.861   3.776
   53    HD2  ARG   7           HD2      ARG   7   3.930   4.064   3.058
   54    HD3  ARG   7           HD1      ARG   7   3.304   4.749   4.556
   55    HE   ARG   7           HE       ARG   7   4.873   2.465   5.107
   56   HH11  ARG   7          HH11      ARG   7   5.165   5.827   4.143
   57   HH12  ARG   7          HH12      ARG   7   6.760   6.014   4.775
   58   HH21  ARG   7          HH21      ARG   7   6.988   2.700   5.955
   59   HH22  ARG   7          HH22      ARG   7   7.800   4.223   5.826
   60    H    ALA   8           HN       ALA   8   0.588   1.867   0.580
   61    HA   ALA   8           HA       ALA   8  -1.365   3.681  -0.345
   62    HB1  ALA   8           HB1      ALA   8   0.573   3.006  -1.684
   63    HB2  ALA   8           HB2      ALA   8  -0.941   2.733  -2.548
   64    HB3  ALA   8           HB3      ALA   8  -0.089   1.376  -1.812
   65    H    ALA   9           HN       ALA   9  -1.379   0.163   0.040
   66    HA   ALA   9           HA       ALA   9  -3.904  -0.329  -1.082
   67    HB1  ALA   9           HB1      ALA   9  -3.805  -2.471   0.057
   68    HB2  ALA   9           HB2      ALA   9  -2.504  -1.880   1.091
   69    HB3  ALA   9           HB3      ALA   9  -2.235  -2.072  -0.641
   70    H    ARG  10           HN       ARG  10  -2.934   0.275   2.272
   71    HA   ARG  10           HA       ARG  10  -5.556   0.016   3.318
   72    HB2  ARG  10           HB2      ARG  10  -3.043   1.254   4.416
   73    HB3  ARG  10           HB1      ARG  10  -4.554   1.237   5.316
   74    HG2  ARG  10           HG2      ARG  10  -4.591  -1.177   5.283
   75    HG3  ARG  10           HG1      ARG  10  -3.139  -1.211   4.284
   76    HD2  ARG  10           HD2      ARG  10  -1.828  -0.275   6.048
   77    HD3  ARG  10           HD1      ARG  10  -3.262   0.019   7.031
   78    HE   ARG  10           HE       ARG  10  -3.473  -2.544   6.887
   79   HH11  ARG  10          HH11      ARG  10  -0.444  -0.789   7.080
   80   HH12  ARG  10          HH12      ARG  10   0.387  -2.054   7.915
   81   HH21  ARG  10          HH21      ARG  10  -2.375  -4.232   7.985
   82   HH22  ARG  10          HH22      ARG  10  -0.715  -4.024   8.430
   83    H    ALA  11           HN       ALA  11  -3.757   2.685   1.982
   84    HA   ALA  11           HA       ALA  11  -5.498   4.749   2.827
   85    HB1  ALA  11           HB1      ALA  11  -3.682   4.642   0.423
   86    HB2  ALA  11           HB2      ALA  11  -3.239   5.206   2.035
   87    HB3  ALA  11           HB3      ALA  11  -4.429   6.095   1.084
   88    H    ALA  12           HN       ALA  12  -5.380   2.713  -0.058
   89    HA   ALA  12           HA       ALA  12  -7.586   4.028  -1.325
   90    HB1  ALA  12           HB1      ALA  12  -7.428   2.267  -2.997
   91    HB2  ALA  12           HB2      ALA  12  -6.336   1.355  -1.955
   92    HB3  ALA  12           HB3      ALA  12  -5.828   2.906  -2.621
   93    H    DAL  13           HN       DAL  13  -7.180   1.133   0.639
   94    HA   DAL  13           HA       DAL  13 -10.117   0.892   0.720
   95    HB1  DAL  13           HB1      DAL  13  -8.157   0.267   2.923
   96    HB2  DAL  13           HB2      DAL  13  -9.910   0.107   3.014
   97    HB3  DAL  13           HB3      DAL  13  -9.179   1.701   2.829
   98    H    CYS  14           HN       CYS  14  -7.258  -0.637  -0.154
   99    HA   CYS  14           HA       CYS  14  -8.626  -3.056  -0.830
  100    HB2  CYS  14           HB2      CYS  14  -5.681  -2.990  -0.982
  101    HB3  CYS  14           HB1      CYS  14  -6.863  -3.453  -2.198
  102    HN1  NH2  15           HN1      NH2  15  -8.092  -4.905   2.026
  103    HN2  NH2  15           HN2      NH2  15  -9.215  -3.787   1.343
  104   HB11  B0I 101          HB12      B0I  15  -1.598  -6.214  -0.355
  105    H1   B0I 101          HB11      B0I  15  -0.094  -7.061  -0.681
  106    HD1  B0I 101           HD1      B0I  15  -1.904  -3.959  -1.300
  107    HD2  B0I 101           HD2      B0I  15   1.228  -6.512  -2.543
  108    HE2  B0I 101           HE2      B0I  15   1.498  -5.207  -4.608
  109    HZ1  B0I 101           HZ1      B0I  15   0.053  -3.255  -5.023
  110    H2   B0I 101          HB21      B0I  15  -5.722  -2.706  -3.958
  111   HB21  B0I 101          HB22      B0I  15  -5.892  -1.080  -4.624
  112    HD3  B0I 101           HD3      B0I  15  -3.632  -3.535  -3.369
  113    HD4  B0I 101           HD4      B0I  15  -4.117   0.635  -4.047
  114    HE4  B0I 101           HE4      B0I  15  -1.682   0.946  -3.923
  115    HZ2  B0I 101           HZ2      B0I  15  -0.213  -0.994  -3.519
  Start of MODEL    8
    1    HA1  H00   1           HA1      H00   1   4.395  -7.455  -0.556
    2    HA2  H00   1           HA2      H00   1   4.038  -6.046  -1.560
    3    HB1  H00   1           HB1      H00   1   2.645  -6.666   1.046
    4    HB2  H00   1           HB2      H00   1   2.021  -7.128  -0.540
    5    HG1  H00   1           HG1      H00   1   2.175  -4.680  -1.163
    6    HG2  H00   1           HG2      H00   1   2.455  -4.358   0.550
    7    H    THR   2           HN       THR   2   5.356  -4.392  -1.233
    8    HA   THR   2           HA       THR   2   7.038  -4.255   1.084
    9    HB   THR   2           HB       THR   2   7.751  -2.055  -0.036
   10    HG1  THR   2           HG1      THR   2   6.974  -2.586  -2.470
   11   HG21  THR   2          HG21      THR   2   9.007  -4.160  -0.258
   12   HG22  THR   2          HG22      THR   2   9.044  -3.227  -1.753
   13   HG23  THR   2          HG23      THR   2   7.979  -4.625  -1.613
   14    HA   PRO   3           HA       PRO   3   4.858  -1.605   3.842
   15    HB2  PRO   3           HB2      PRO   3   6.708   0.561   3.922
   16    HB3  PRO   3           HB1      PRO   3   6.555  -0.768   5.074
   17    HG2  PRO   3           HG2      PRO   3   8.475  -0.406   2.864
   18    HG3  PRO   3           HG1      PRO   3   8.623  -1.368   4.340
   19    HD2  PRO   3           HD2      PRO   3   8.258  -2.473   1.895
   20    HD3  PRO   3           HD1      PRO   3   7.650  -3.212   3.387
   21    H    ARG   4           HN       ARG   4   6.377   0.173   1.128
   22    HA   ARG   4           HA       ARG   4   4.651   2.380   1.191
   23    HB2  ARG   4           HB2      ARG   4   5.349   2.849  -1.105
   24    HB3  ARG   4           HB1      ARG   4   6.728   2.391  -0.122
   25    HG2  ARG   4           HG2      ARG   4   6.733   0.172  -1.113
   26    HG3  ARG   4           HG1      ARG   4   5.279   0.566  -2.029
   27    HD2  ARG   4           HD2      ARG   4   6.513   2.349  -3.187
   28    HD3  ARG   4           HD1      ARG   4   7.968   1.906  -2.296
   29    HE   ARG   4           HE       ARG   4   7.616  -0.368  -3.416
   30   HH11  ARG   4          HH11      ARG   4   6.786   2.703  -4.907
   31   HH12  ARG   4          HH12      ARG   4   6.997   2.124  -6.521
   32   HH21  ARG   4          HH21      ARG   4   7.902  -1.129  -5.564
   33   HH22  ARG   4          HH22      ARG   4   7.636  -0.065  -6.899
   34    H    GLN   5           HN       GLN   5   4.370  -0.667  -0.597
   35    HA   GLN   5           HA       GLN   5   1.951   0.027  -1.902
   36    HB2  GLN   5           HB2      GLN   5   3.306  -2.613  -1.401
   37    HB3  GLN   5           HB1      GLN   5   1.795  -2.472  -2.295
   38    HG2  GLN   5           HG2      GLN   5   2.876  -1.064  -3.943
   39    HG3  GLN   5           HG1      GLN   5   4.383  -1.126  -3.032
   40   HE21  GLN   5          HE21      GLN   5   3.708  -1.974  -5.765
   41   HE22  GLN   5          HE22      GLN   5   4.171  -3.645  -5.860
   42    H    ALA   6           HN       ALA   6   2.711  -1.512   1.143
   43    HA   ALA   6           HA       ALA   6   0.111  -2.447   1.735
   44    HB1  ALA   6           HB1      ALA   6   0.902  -2.637   4.032
   45    HB2  ALA   6           HB2      ALA   6   2.306  -1.644   3.643
   46    HB3  ALA   6           HB3      ALA   6   2.120  -3.235   2.906
   47    H    ARG   7           HN       ARG   7   1.801   0.567   2.482
   48    HA   ARG   7           HA       ARG   7  -0.326   1.740   3.963
   49    HB2  ARG   7           HB2      ARG   7   1.903   3.118   2.452
   50    HB3  ARG   7           HB1      ARG   7   0.911   3.831   3.718
   51    HG2  ARG   7           HG2      ARG   7   1.847   2.363   5.359
   52    HG3  ARG   7           HG1      ARG   7   2.709   1.466   4.106
   53    HD2  ARG   7           HD2      ARG   7   3.962   3.540   3.564
   54    HD3  ARG   7           HD1      ARG   7   3.178   4.327   4.934
   55    HE   ARG   7           HE       ARG   7   4.283   2.091   6.014
   56   HH11  ARG   7          HH11      ARG   7   5.571   4.744   4.109
   57   HH12  ARG   7          HH12      ARG   7   7.152   4.639   4.805
   58   HH21  ARG   7          HH21      ARG   7   6.377   1.960   6.932
   59   HH22  ARG   7          HH22      ARG   7   7.611   3.058   6.410
   60    H    ALA   8           HN       ALA   8   0.674   1.824   0.603
   61    HA   ALA   8           HA       ALA   8  -1.200   3.708  -0.324
   62    HB1  ALA   8           HB1      ALA   8   0.749   2.976  -1.632
   63    HB2  ALA   8           HB2      ALA   8  -0.752   2.821  -2.543
   64    HB3  ALA   8           HB3      ALA   8   0.004   1.392  -1.838
   65    H    ALA   9           HN       ALA   9  -1.366   0.201   0.026
   66    HA   ALA   9           HA       ALA   9  -3.930  -0.097  -1.137
   67    HB1  ALA   9           HB1      ALA   9  -2.380  -1.959  -0.929
   68    HB2  ALA   9           HB2      ALA   9  -3.907  -2.324  -0.123
   69    HB3  ALA   9           HB3      ALA   9  -2.491  -1.872   0.827
   70    H    ARG  10           HN       ARG  10  -2.815   0.336   2.200
   71    HA   ARG  10           HA       ARG  10  -5.322   0.058   3.439
   72    HB2  ARG  10           HB2      ARG  10  -3.127  -0.008   4.609
   73    HB3  ARG  10           HB1      ARG  10  -2.972   1.724   4.349
   74    HG2  ARG  10           HG2      ARG  10  -5.070   2.041   5.649
   75    HG3  ARG  10           HG1      ARG  10  -5.039   0.310   5.999
   76    HD2  ARG  10           HD2      ARG  10  -4.074   1.570   7.845
   77    HD3  ARG  10           HD1      ARG  10  -2.848   0.575   7.063
   78    HE   ARG  10           HE       ARG  10  -3.001   3.266   6.059
   79   HH11  ARG  10          HH11      ARG  10  -1.557   1.186   8.492
   80   HH12  ARG  10          HH12      ARG  10  -0.177   2.207   8.724
   81   HH21  ARG  10          HH21      ARG  10  -1.181   4.617   6.368
   82   HH22  ARG  10          HH22      ARG  10   0.036   4.167   7.511
   83    H    ALA  11           HN       ALA  11  -3.656   2.816   2.029
   84    HA   ALA  11           HA       ALA  11  -5.450   4.807   2.914
   85    HB1  ALA  11           HB1      ALA  11  -4.426   6.225   1.213
   86    HB2  ALA  11           HB2      ALA  11  -3.668   4.810   0.481
   87    HB3  ALA  11           HB3      ALA  11  -3.200   5.320   2.101
   88    H    ALA  12           HN       ALA  12  -5.397   2.735   0.073
   89    HA   ALA  12           HA       ALA  12  -7.634   4.078  -1.141
   90    HB1  ALA  12           HB1      ALA  12  -7.516   2.321  -2.833
   91    HB2  ALA  12           HB2      ALA  12  -6.328   1.456  -1.856
   92    HB3  ALA  12           HB3      ALA  12  -5.934   3.035  -2.533
   93    H    DAL  13           HN       DAL  13  -7.125   1.135   0.734
   94    HA   DAL  13           HA       DAL  13 -10.054   0.887   0.933
   95    HB1  DAL  13           HB1      DAL  13  -8.981   1.494   3.038
   96    HB2  DAL  13           HB2      DAL  13  -7.971   0.051   2.942
   97    HB3  DAL  13           HB3      DAL  13  -9.717  -0.106   3.128
   98    H    CYS  14           HN       CYS  14  -7.131  -0.725   0.073
   99    HA   CYS  14           HA       CYS  14  -8.693  -3.062  -0.707
  100    HB2  CYS  14           HB2      CYS  14  -5.890  -3.117  -1.465
  101    HB3  CYS  14           HB1      CYS  14  -7.326  -3.211  -2.473
  102    HN1  NH2  15           HN1      NH2  15  -5.559  -2.915   1.608
  103    HN2  NH2  15           HN2      NH2  15  -5.197  -4.097   0.407
  104   HB11  B0I 101          HB12      B0I  15  -1.401  -6.144  -1.235
  105    H1   B0I 101          HB11      B0I  15   0.232  -6.697  -1.580
  106    HD1  B0I 101           HD1      B0I  15  -1.871  -3.715  -1.864
  107    HD2  B0I 101           HD2      B0I  15   1.274  -5.999  -3.518
  108    HE2  B0I 101           HE2      B0I  15   1.361  -4.504  -5.473
  109    HZ1  B0I 101           HZ1      B0I  15  -0.185  -2.593  -5.622
  110    H2   B0I 101          HB21      B0I  15  -5.915  -2.398  -4.131
  111   HB21  B0I 101          HB22      B0I  15  -6.187  -0.736  -4.655
  112    HD3  B0I 101           HD3      B0I  15  -3.750  -3.187  -3.770
  113    HD4  B0I 101           HD4      B0I  15  -4.438   1.001  -4.018
  114    HE4  B0I 101           HE4      B0I  15  -2.012   1.406  -4.022
  115    HZ2  B0I 101           HZ2      B0I  15  -0.450  -0.492  -3.899
  Start of MODEL    9
    1    HA1  H00   1           HA1      H00   1   3.393  -3.936   7.352
    2    HA2  H00   1           HA2      H00   1   3.097  -4.248   5.639
    3    HB1  H00   1           HB1      H00   1   2.023  -1.850   7.124
    4    HB2  H00   1           HB2      H00   1   1.119  -3.350   6.898
    5    HG1  H00   1           HG1      H00   1   1.463  -3.061   4.423
    6    HG2  H00   1           HG2      H00   1   2.095  -1.451   4.774
    7    H    THR   2           HN       THR   2   4.715  -3.609   4.380
    8    HA   THR   2           HA       THR   2   6.705  -1.762   5.301
    9    HB   THR   2           HB       THR   2   7.683  -2.132   3.018
   10    HG1  THR   2           HG1      THR   2   6.590  -3.961   1.877
   11   HG21  THR   2          HG21      THR   2   8.295  -3.593   4.889
   12   HG22  THR   2          HG22      THR   2   8.242  -4.497   3.376
   13   HG23  THR   2          HG23      THR   2   6.917  -4.634   4.532
   14    HA   PRO   3           HA       PRO   3   5.244   2.090   3.638
   15    HB2  PRO   3           HB2      PRO   3   7.470   2.872   2.131
   16    HB3  PRO   3           HB1      PRO   3   7.229   3.198   3.851
   17    HG2  PRO   3           HG2      PRO   3   8.814   1.039   2.531
   18    HG3  PRO   3           HG1      PRO   3   9.175   1.960   4.005
   19    HD2  PRO   3           HD2      PRO   3   8.284  -0.553   4.134
   20    HD3  PRO   3           HD1      PRO   3   7.750   0.667   5.307
   21    H    ARG   4           HN       ARG   4   6.825  -0.141   1.423
   22    HA   ARG   4           HA       ARG   4   5.856   0.922  -1.008
   23    HB2  ARG   4           HB2      ARG   4   6.475  -1.969  -0.379
   24    HB3  ARG   4           HB1      ARG   4   6.399  -1.243  -1.976
   25    HG2  ARG   4           HG2      ARG   4   8.353   0.107  -1.478
   26    HG3  ARG   4           HG1      ARG   4   8.393  -0.556   0.161
   27    HD2  ARG   4           HD2      ARG   4   8.760  -2.790  -0.728
   28    HD3  ARG   4           HD1      ARG   4   8.655  -2.171  -2.373
   29    HE   ARG   4           HE       ARG   4  10.683  -0.746  -1.165
   30   HH11  ARG   4          HH11      ARG   4  10.020  -4.124  -1.828
   31   HH12  ARG   4          HH12      ARG   4  11.683  -4.560  -1.989
   32   HH21  ARG   4          HH21      ARG   4  12.893  -1.312  -1.398
   33   HH22  ARG   4          HH22      ARG   4  13.330  -2.948  -1.757
   34    H    GLN   5           HN       GLN   5   4.686  -1.719   1.036
   35    HA   GLN   5           HA       GLN   5   2.361  -2.231  -0.506
   36    HB2  GLN   5           HB2      GLN   5   2.999  -2.933   2.360
   37    HB3  GLN   5           HB1      GLN   5   1.615  -3.553   1.462
   38    HG2  GLN   5           HG2      GLN   5   3.120  -4.612  -0.135
   39    HG3  GLN   5           HG1      GLN   5   4.508  -3.980   0.748
   40   HE21  GLN   5          HE21      GLN   5   3.782  -6.721   0.160
   41   HE22  GLN   5          HE22      GLN   5   3.646  -7.528   1.686
   42    H    ALA   6           HN       ALA   6   3.009  -0.230   2.311
   43    HA   ALA   6           HA       ALA   6   0.360   0.502   2.892
   44    HB1  ALA   6           HB1      ALA   6   2.234   0.935   4.414
   45    HB2  ALA   6           HB2      ALA   6   1.329   2.410   4.071
   46    HB3  ALA   6           HB3      ALA   6   2.879   2.121   3.280
   47    H    ARG   7           HN       ARG   7   2.780   1.912   0.713
   48    HA   ARG   7           HA       ARG   7   1.280   4.102  -0.124
   49    HB2  ARG   7           HB2      ARG   7   3.636   4.034  -0.535
   50    HB3  ARG   7           HB1      ARG   7   3.503   2.512  -1.402
   51    HG2  ARG   7           HG2      ARG   7   3.855   4.279  -2.969
   52    HG3  ARG   7           HG1      ARG   7   2.214   3.637  -3.116
   53    HD2  ARG   7           HD2      ARG   7   1.358   5.510  -1.795
   54    HD3  ARG   7           HD1      ARG   7   2.991   6.157  -1.653
   55    HE   ARG   7           HE       ARG   7   2.105   5.768  -4.362
   56   HH11  ARG   7          HH11      ARG   7   2.210   7.993  -1.652
   57   HH12  ARG   7          HH12      ARG   7   1.959   9.398  -2.629
   58   HH21  ARG   7          HH21      ARG   7   1.781   7.630  -5.664
   59   HH22  ARG   7          HH22      ARG   7   1.727   9.189  -4.924
   60    H    ALA   8           HN       ALA   8   1.574   0.797  -1.356
   61    HA   ALA   8           HA       ALA   8  -0.050   1.090  -3.628
   62    HB1  ALA   8           HB1      ALA   8   1.437  -0.832  -3.273
   63    HB2  ALA   8           HB2      ALA   8  -0.216  -1.344  -3.609
   64    HB3  ALA   8           HB3      ALA   8   0.401  -1.385  -1.957
   65    H    ALA   9           HN       ALA   9  -0.794   0.301  -0.281
   66    HA   ALA   9           HA       ALA   9  -3.531  -0.292  -0.654
   67    HB1  ALA   9           HB1      ALA   9  -2.140   0.743   1.816
   68    HB2  ALA   9           HB2      ALA   9  -2.279  -0.951   1.347
   69    HB3  ALA   9           HB3      ALA   9  -3.725  -0.028   1.760
   70    H    ARG  10           HN       ARG  10  -1.822   2.683   0.188
   71    HA   ARG  10           HA       ARG  10  -4.127   4.283   0.538
   72    HB2  ARG  10           HB2      ARG  10  -1.312   5.080  -0.216
   73    HB3  ARG  10           HB1      ARG  10  -2.568   6.196   0.298
   74    HG2  ARG  10           HG2      ARG  10  -2.655   5.172   2.475
   75    HG3  ARG  10           HG1      ARG  10  -1.507   3.931   1.970
   76    HD2  ARG  10           HD2      ARG  10   0.146   5.759   1.544
   77    HD3  ARG  10           HD1      ARG  10  -0.999   6.885   2.274
   78    HE   ARG  10           HE       ARG  10  -0.727   4.934   4.141
   79   HH11  ARG  10          HH11      ARG  10   1.522   7.030   2.459
   80   HH12  ARG  10          HH12      ARG  10   2.694   7.022   3.730
   81   HH21  ARG  10          HH21      ARG  10   0.829   4.902   5.830
   82   HH22  ARG  10          HH22      ARG  10   2.293   5.803   5.660
   83    H    ALA  11           HN       ALA  11  -2.167   3.496  -2.261
   84    HA   ALA  11           HA       ALA  11  -3.370   5.325  -4.057
   85    HB1  ALA  11           HB1      ALA  11  -1.202   4.258  -4.488
   86    HB2  ALA  11           HB2      ALA  11  -2.334   3.993  -5.814
   87    HB3  ALA  11           HB3      ALA  11  -2.009   2.699  -4.661
   88    H    ALA  12           HN       ALA  12  -3.997   1.913  -3.325
   89    HA   ALA  12           HA       ALA  12  -6.103   1.663  -5.244
   90    HB1  ALA  12           HB1      ALA  12  -4.741  -0.249  -4.563
   91    HB2  ALA  12           HB2      ALA  12  -6.458  -0.543  -4.284
   92    HB3  ALA  12           HB3      ALA  12  -5.401  -0.137  -2.931
   93    H    DAL  13           HN       DAL  13  -5.959   2.496  -1.857
   94    HA   DAL  13           HA       DAL  13  -8.848   3.029  -1.956
   95    HB1  DAL  13           HB1      DAL  13  -8.473   4.622  -0.156
   96    HB2  DAL  13           HB2      DAL  13  -7.420   4.969  -1.526
   97    HB3  DAL  13           HB3      DAL  13  -6.769   4.171  -0.095
   98    H    CYS  14           HN       CYS  14  -6.349   1.460  -0.044
   99    HA   CYS  14           HA       CYS  14  -8.472   0.164   1.523
  100    HB2  CYS  14           HB2      CYS  14  -5.879  -1.120   1.694
  101    HB3  CYS  14           HB1      CYS  14  -7.432  -1.798   1.230
  102    HN1  NH2  15           HN1      NH2  15  -8.076   1.206   4.199
  103    HN2  NH2  15           HN2      NH2  15  -7.958   2.494   3.057
  104   HB11  B0I 101          HB12      B0I  15  -2.277  -2.840   5.177
  105    H1   B0I 101          HB11      B0I  15  -0.936  -3.726   5.889
  106    HD1  B0I 101           HD1      B0I  15  -2.321  -2.580   2.711
  107    HD2  B0I 101           HD2      B0I  15   0.253  -5.318   4.654
  108    HE2  B0I 101           HE2      B0I  15   0.524  -6.579   2.559
  109    HZ1  B0I 101           HZ1      B0I  15  -0.639  -5.835   0.519
  110    H2   B0I 101          HB21      B0I  15  -6.137  -3.366   0.120
  111   HB21  B0I 101          HB22      B0I  15  -6.160  -3.286  -1.642
  112    HD3  B0I 101           HD3      B0I  15  -4.131  -3.677   1.273
  113    HD4  B0I 101           HD4      B0I  15  -4.044  -2.566  -2.832
  114    HE4  B0I 101           HE4      B0I  15  -1.617  -2.950  -2.890
  115    HZ2  B0I 101           HZ2      B0I  15  -0.441  -3.699  -0.860
  Start of MODEL   10
    1    HA1  H00   1           HA1      H00   1   3.379  -3.469   7.583
    2    HA2  H00   1           HA2      H00   1   2.910  -3.931   5.944
    3    HB1  H00   1           HB1      H00   1   2.404  -1.225   7.183
    4    HB2  H00   1           HB2      H00   1   1.214  -2.527   7.091
    5    HG1  H00   1           HG1      H00   1   1.707  -2.498   4.561
    6    HG2  H00   1           HG2      H00   1   2.416  -0.911   4.874
    7    H    THR   2           HN       THR   2   4.463  -3.715   4.480
    8    HA   THR   2           HA       THR   2   6.870  -2.299   5.069
    9    HB   THR   2           HB       THR   2   7.522  -2.951   2.729
   10    HG1  THR   2           HG1      THR   2   5.146  -4.491   2.664
   11   HG21  THR   2          HG21      THR   2   6.422  -5.145   4.490
   12   HG22  THR   2          HG22      THR   2   8.030  -4.430   4.597
   13   HG23  THR   2          HG23      THR   2   7.578  -5.379   3.181
   14    HA   PRO   3           HA       PRO   3   6.238   1.770   3.511
   15    HB2  PRO   3           HB2      PRO   3   8.491   1.272   1.614
   16    HB3  PRO   3           HB1      PRO   3   8.251   2.610   2.746
   17    HG2  PRO   3           HG2      PRO   3   9.976   0.685   3.313
   18    HG3  PRO   3           HG1      PRO   3   8.926   1.354   4.577
   19    HD2  PRO   3           HD2      PRO   3   8.726  -1.244   3.123
   20    HD3  PRO   3           HD1      PRO   3   8.360  -0.866   4.819
   21    H    ARG   4           HN       ARG   4   6.982  -0.556   0.891
   22    HA   ARG   4           HA       ARG   4   5.774   0.844  -1.154
   23    HB2  ARG   4           HB2      ARG   4   7.353  -0.882  -1.583
   24    HB3  ARG   4           HB1      ARG   4   6.375  -2.064  -0.720
   25    HG2  ARG   4           HG2      ARG   4   4.779  -2.128  -2.379
   26    HG3  ARG   4           HG1      ARG   4   5.369  -0.597  -3.023
   27    HD2  ARG   4           HD2      ARG   4   5.979  -2.581  -4.426
   28    HD3  ARG   4           HD1      ARG   4   7.365  -1.649  -3.865
   29    HE   ARG   4           HE       ARG   4   7.124  -3.525  -1.959
   30   HH11  ARG   4          HH11      ARG   4   7.170  -3.784  -5.463
   31   HH12  ARG   4          HH12      ARG   4   7.954  -5.326  -5.463
   32   HH21  ARG   4          HH21      ARG   4   8.148  -5.553  -1.958
   33   HH22  ARG   4          HH22      ARG   4   8.512  -6.339  -3.456
   34    H    GLN   5           HN       GLN   5   4.597  -1.851   0.805
   35    HA   GLN   5           HA       GLN   5   2.030  -2.033  -0.295
   36    HB2  GLN   5           HB2      GLN   5   3.095  -2.796   2.414
   37    HB3  GLN   5           HB1      GLN   5   1.431  -3.108   1.932
   38    HG2  GLN   5           HG2      GLN   5   2.153  -4.543   0.158
   39    HG3  GLN   5           HG1      GLN   5   3.841  -4.120   0.444
   40   HE21  GLN   5          HE21      GLN   5   2.478  -6.714   0.493
   41   HE22  GLN   5          HE22      GLN   5   2.790  -7.381   2.062
   42    H    ALA   6           HN       ALA   6   3.303   0.019   2.248
   43    HA   ALA   6           HA       ALA   6   0.859   0.968   3.265
   44    HB1  ALA   6           HB1      ALA   6   3.012   1.300   4.395
   45    HB2  ALA   6           HB2      ALA   6   2.152   2.823   4.171
   46    HB3  ALA   6           HB3      ALA   6   3.506   2.410   3.117
   47    H    ARG   7           HN       ARG   7   2.931   2.139   0.657
   48    HA   ARG   7           HA       ARG   7   1.300   4.378  -0.001
   49    HB2  ARG   7           HB2      ARG   7   3.318   2.894  -1.691
   50    HB3  ARG   7           HB1      ARG   7   2.625   4.464  -2.071
   51    HG2  ARG   7           HG2      ARG   7   3.644   5.393  -0.053
   52    HG3  ARG   7           HG1      ARG   7   4.337   3.804   0.296
   53    HD2  ARG   7           HD2      ARG   7   4.864   5.319  -2.252
   54    HD3  ARG   7           HD1      ARG   7   5.886   5.455  -0.824
   55    HE   ARG   7           HE       ARG   7   6.433   3.120  -1.068
   56   HH11  ARG   7          HH11      ARG   7   4.798   4.554  -3.825
   57   HH12  ARG   7          HH12      ARG   7   5.445   3.429  -4.964
   58   HH21  ARG   7          HH21      ARG   7   7.307   1.638  -2.578
   59   HH22  ARG   7          HH22      ARG   7   6.885   1.747  -4.252
   60    H    ALA   8           HN       ALA   8   1.649   1.119  -1.260
   61    HA   ALA   8           HA       ALA   8  -0.128   1.287  -3.409
   62    HB1  ALA   8           HB1      ALA   8   0.426  -1.132  -1.697
   63    HB2  ALA   8           HB2      ALA   8   1.424  -0.584  -3.044
   64    HB3  ALA   8           HB3      ALA   8  -0.226  -1.134  -3.336
   65    H    ALA   9           HN       ALA   9  -0.742   0.537  -0.011
   66    HA   ALA   9           HA       ALA   9  -3.445  -0.174  -0.248
   67    HB1  ALA   9           HB1      ALA   9  -2.061  -0.559   1.756
   68    HB2  ALA   9           HB2      ALA   9  -3.598   0.221   2.130
   69    HB3  ALA   9           HB3      ALA   9  -2.110   1.168   2.099
   70    H    ARG  10           HN       ARG  10  -1.907   2.974   0.231
   71    HA   ARG  10           HA       ARG  10  -4.366   4.407   0.509
   72    HB2  ARG  10           HB2      ARG  10  -1.670   5.506  -0.300
   73    HB3  ARG  10           HB1      ARG  10  -3.021   6.410   0.362
   74    HG2  ARG  10           HG2      ARG  10  -2.786   5.115   2.467
   75    HG3  ARG  10           HG1      ARG  10  -1.342   4.359   1.789
   76    HD2  ARG  10           HD2      ARG  10  -0.404   6.660   1.468
   77    HD3  ARG  10           HD1      ARG  10  -1.780   7.281   2.376
   78    HE   ARG  10           HE       ARG  10   0.347   5.547   3.437
   79   HH11  ARG  10          HH11      ARG  10  -2.360   7.707   4.000
   80   HH12  ARG  10          HH12      ARG  10  -1.965   7.978   5.660
   81   HH21  ARG  10          HH21      ARG  10   0.858   5.891   5.643
   82   HH22  ARG  10          HH22      ARG  10  -0.129   6.943   6.597
   83    H    ALA  11           HN       ALA  11  -2.205   3.636  -2.136
   84    HA   ALA  11           HA       ALA  11  -3.403   5.287  -4.088
   85    HB1  ALA  11           HB1      ALA  11  -1.849   2.729  -4.465
   86    HB2  ALA  11           HB2      ALA  11  -1.151   4.343  -4.320
   87    HB3  ALA  11           HB3      ALA  11  -2.175   3.945  -5.699
   88    H    ALA  12           HN       ALA  12  -3.874   1.893  -3.201
   89    HA   ALA  12           HA       ALA  12  -5.847   1.398  -5.197
   90    HB1  ALA  12           HB1      ALA  12  -6.218  -0.707  -4.017
   91    HB2  ALA  12           HB2      ALA  12  -5.244  -0.127  -2.667
   92    HB3  ALA  12           HB3      ALA  12  -4.496  -0.397  -4.242
   93    H    DAL  13           HN       DAL  13  -5.952   2.318  -1.797
   94    HA   DAL  13           HA       DAL  13  -8.689   3.216  -2.172
   95    HB1  DAL  13           HB1      DAL  13  -8.428   4.306  -0.016
   96    HB2  DAL  13           HB2      DAL  13  -7.071   4.695  -1.072
   97    HB3  DAL  13           HB3      DAL  13  -6.874   3.509   0.217
   98    H    CYS  14           HN       CYS  14  -6.900   1.092   0.045
   99    HA   CYS  14           HA       CYS  14  -9.318  -0.495   0.383
  100    HB2  CYS  14           HB2      CYS  14  -6.928  -1.367   1.825
  101    HB3  CYS  14           HB1      CYS  14  -7.959  -2.257   0.714
  102    HN1  NH2  15           HN1      NH2  15 -10.004   1.390   3.259
  103    HN2  NH2  15           HN2      NH2  15 -10.541   0.765   1.747
  104   HB11  B0I 101          HB12      B0I  15  -2.022  -2.015   5.497
  105    H1   B0I 101          HB11      B0I  15  -0.694  -2.853   6.286
  106    HD1  B0I 101           HD1      B0I  15  -2.052  -2.074   2.983
  107    HD2  B0I 101           HD2      B0I  15   0.216  -4.764   5.323
  108    HE2  B0I 101           HE2      B0I  15   0.313  -6.350   3.443
  109    HZ1  B0I 101           HZ1      B0I  15  -0.785  -5.789   1.309
  110    H2   B0I 101          HB21      B0I  15  -6.031  -3.497   0.343
  111   HB21  B0I 101          HB22      B0I  15  -5.952  -3.388  -1.417
  112    HD3  B0I 101           HD3      B0I  15  -4.071  -3.582   1.646
  113    HD4  B0I 101           HD4      B0I  15  -3.824  -2.661  -2.500
  114    HE4  B0I 101           HE4      B0I  15  -1.378  -2.901  -2.412
  115    HZ2  B0I 101           HZ2      B0I  15  -0.274  -3.482  -0.290
  Start of MODEL   11
    1    HA1  H00   1           HA1      H00   1   3.230  -3.991   7.254
    2    HA2  H00   1           HA2      H00   1   2.796  -4.168   5.552
    3    HB1  H00   1           HB1      H00   1   2.202  -1.706   7.195
    4    HB2  H00   1           HB2      H00   1   1.059  -3.032   6.968
    5    HG1  H00   1           HG1      H00   1   1.488  -2.653   4.447
    6    HG2  H00   1           HG2      H00   1   2.119  -1.085   4.955
    7    H    THR   2           HN       THR   2   4.455  -3.772   4.255
    8    HA   THR   2           HA       THR   2   6.722  -2.258   5.142
    9    HB   THR   2           HB       THR   2   7.626  -2.733   2.875
   10    HG1  THR   2           HG1      THR   2   5.998  -4.435   1.851
   11   HG21  THR   2          HG21      THR   2   7.887  -4.395   4.669
   12   HG22  THR   2          HG22      THR   2   7.726  -5.169   3.095
   13   HG23  THR   2          HG23      THR   2   6.355  -5.133   4.202
   14    HA   PRO   3           HA       PRO   3   5.934   1.856   3.721
   15    HB2  PRO   3           HB2      PRO   3   8.234   1.518   1.842
   16    HB3  PRO   3           HB1      PRO   3   7.901   2.825   2.986
   17    HG2  PRO   3           HG2      PRO   3   9.722   0.986   3.558
   18    HG3  PRO   3           HG1      PRO   3   8.621   1.586   4.813
   19    HD2  PRO   3           HD2      PRO   3   8.595  -1.012   3.351
   20    HD3  PRO   3           HD1      PRO   3   8.145  -0.656   5.030
   21    H    ARG   4           HN       ARG   4   6.838  -0.366   1.075
   22    HA   ARG   4           HA       ARG   4   5.464   1.135  -0.901
   23    HB2  ARG   4           HB2      ARG   4   5.858  -0.708  -2.406
   24    HB3  ARG   4           HB1      ARG   4   7.307  -0.400  -1.465
   25    HG2  ARG   4           HG2      ARG   4   6.834  -2.323  -0.063
   26    HG3  ARG   4           HG1      ARG   4   5.323  -2.601  -0.932
   27    HD2  ARG   4           HD2      ARG   4   6.617  -2.894  -3.013
   28    HD3  ARG   4           HD1      ARG   4   8.105  -2.716  -2.086
   29    HE   ARG   4           HE       ARG   4   6.835  -4.742  -0.824
   30   HH11  ARG   4          HH11      ARG   4   7.617  -4.153  -4.198
   31   HH12  ARG   4          HH12      ARG   4   7.806  -5.826  -4.583
   32   HH21  ARG   4          HH21      ARG   4   7.090  -6.966  -1.330
   33   HH22  ARG   4          HH22      ARG   4   7.511  -7.439  -2.938
   34    H    GLN   5           HN       GLN   5   4.532  -1.601   1.127
   35    HA   GLN   5           HA       GLN   5   2.081  -2.137  -0.176
   36    HB2  GLN   5           HB2      GLN   5   3.108  -2.722   2.589
   37    HB3  GLN   5           HB1      GLN   5   1.466  -3.141   2.113
   38    HG2  GLN   5           HG2      GLN   5   2.294  -4.586   0.376
   39    HG3  GLN   5           HG1      GLN   5   3.953  -4.092   0.710
   40   HE21  GLN   5          HE21      GLN   5   2.646  -6.731   0.793
   41   HE22  GLN   5          HE22      GLN   5   2.938  -7.351   2.385
   42    H    ALA   6           HN       ALA   6   2.992   0.017   2.445
   43    HA   ALA   6           HA       ALA   6   0.389   0.832   3.160
   44    HB1  ALA   6           HB1      ALA   6   2.977   2.368   3.397
   45    HB2  ALA   6           HB2      ALA   6   2.345   1.225   4.581
   46    HB3  ALA   6           HB3      ALA   6   1.477   2.726   4.253
   47    H    ARG   7           HN       ARG   7   2.729   2.129   0.849
   48    HA   ARG   7           HA       ARG   7   1.118   4.345   0.065
   49    HB2  ARG   7           HB2      ARG   7   3.369   3.010  -1.446
   50    HB3  ARG   7           HB1      ARG   7   2.708   4.608  -1.769
   51    HG2  ARG   7           HG2      ARG   7   3.463   5.379   0.406
   52    HG3  ARG   7           HG1      ARG   7   4.077   3.760   0.758
   53    HD2  ARG   7           HD2      ARG   7   5.613   3.955  -1.152
   54    HD3  ARG   7           HD1      ARG   7   5.022   5.591  -1.443
   55    HE   ARG   7           HE       ARG   7   5.906   5.375   1.220
   56   HH11  ARG   7          HH11      ARG   7   7.195   5.458  -2.036
   57   HH12  ARG   7          HH12      ARG   7   8.713   6.127  -1.554
   58   HH21  ARG   7          HH21      ARG   7   7.923   6.264   1.855
   59   HH22  ARG   7          HH22      ARG   7   9.133   6.580   0.657
   60    H    ALA   8           HN       ALA   8   1.703   1.138  -1.281
   61    HA   ALA   8           HA       ALA   8   0.118   1.365  -3.577
   62    HB1  ALA   8           HB1      ALA   8   0.025  -1.082  -3.562
   63    HB2  ALA   8           HB2      ALA   8   0.608  -1.098  -1.898
   64    HB3  ALA   8           HB3      ALA   8   1.651  -0.508  -3.191
   65    H    ALA   9           HN       ALA   9  -0.709   0.434  -0.275
   66    HA   ALA   9           HA       ALA   9  -3.407  -0.211  -0.716
   67    HB1  ALA   9           HB1      ALA   9  -3.680   0.077   1.696
   68    HB2  ALA   9           HB2      ALA   9  -2.111   0.877   1.783
   69    HB3  ALA   9           HB3      ALA   9  -2.209  -0.823   1.326
   70    H    ARG  10           HN       ARG  10  -1.798   2.849  -0.015
   71    HA   ARG  10           HA       ARG  10  -4.116   4.387   0.386
   72    HB2  ARG  10           HB2      ARG  10  -1.886   5.139   1.058
   73    HB3  ARG  10           HB1      ARG  10  -1.394   5.219  -0.626
   74    HG2  ARG  10           HG2      ARG  10  -2.909   7.015  -1.049
   75    HG3  ARG  10           HG1      ARG  10  -3.618   6.835   0.558
   76    HD2  ARG  10           HD2      ARG  10  -2.058   8.732   0.434
   77    HD3  ARG  10           HD1      ARG  10  -1.534   7.508   1.588
   78    HE   ARG  10           HE       ARG  10  -0.348   7.044  -0.939
   79   HH11  ARG  10          HH11      ARG  10  -0.153   9.189   1.826
   80   HH12  ARG  10          HH12      ARG  10   1.513   9.570   1.578
   81   HH21  ARG  10          HH21      ARG  10   1.860   7.548  -1.279
   82   HH22  ARG  10          HH22      ARG  10   2.663   8.645  -0.206
   83    H    ALA  11           HN       ALA  11  -2.199   3.677  -2.495
   84    HA   ALA  11           HA       ALA  11  -3.703   5.300  -4.257
   85    HB1  ALA  11           HB1      ALA  11  -2.027   2.867  -4.867
   86    HB2  ALA  11           HB2      ALA  11  -1.447   4.531  -4.790
   87    HB3  ALA  11           HB3      ALA  11  -2.593   4.054  -6.043
   88    H    ALA  12           HN       ALA  12  -3.896   1.875  -3.384
   89    HA   ALA  12           HA       ALA  12  -5.972   1.234  -5.221
   90    HB1  ALA  12           HB1      ALA  12  -4.438  -0.448  -4.315
   91    HB2  ALA  12           HB2      ALA  12  -6.124  -0.878  -4.029
   92    HB3  ALA  12           HB3      ALA  12  -5.145  -0.224  -2.716
   93    H    DAL  13           HN       DAL  13  -5.950   2.301  -1.876
   94    HA   DAL  13           HA       DAL  13  -8.861   2.654  -2.064
   95    HB1  DAL  13           HB1      DAL  13  -8.611   4.364  -0.345
   96    HB2  DAL  13           HB2      DAL  13  -7.573   4.702  -1.730
   97    HB3  DAL  13           HB3      DAL  13  -6.882   4.030  -0.253
   98    H    CYS  14           HN       CYS  14  -6.301   1.531   0.095
   99    HA   CYS  14           HA       CYS  14  -8.340   0.101   1.664
  100    HB2  CYS  14           HB2      CYS  14  -5.607  -0.951   1.785
  101    HB3  CYS  14           HB1      CYS  14  -7.131  -1.797   1.563
  102    HN1  NH2  15           HN1      NH2  15  -7.318   2.240   4.224
  103    HN2  NH2  15           HN2      NH2  15  -8.595   1.498   3.332
  104   HB11  B0I 101          HB12      B0I  15  -2.243  -2.493   5.547
  105    H1   B0I 101          HB11      B0I  15  -0.862  -3.304   6.274
  106    HD1  B0I 101           HD1      B0I  15  -2.204  -2.338   3.007
  107    HD2  B0I 101           HD2      B0I  15   0.077  -5.131   5.213
  108    HE2  B0I 101           HE2      B0I  15   0.263  -6.576   3.230
  109    HZ1  B0I 101           HZ1      B0I  15  -0.798  -5.894   1.112
  110    H2   B0I 101          HB21      B0I  15  -6.084  -3.429   0.330
  111   HB21  B0I 101          HB22      B0I  15  -6.023  -3.396  -1.433
  112    HD3  B0I 101           HD3      B0I  15  -4.137  -3.690   1.570
  113    HD4  B0I 101           HD4      B0I  15  -3.865  -2.584  -2.526
  114    HE4  B0I 101           HE4      B0I  15  -1.422  -2.881  -2.450
  115    HZ2  B0I 101           HZ2      B0I  15  -0.335  -3.584  -0.354
  Start of MODEL   12
    1    HA1  H00   1           HA1      H00   1   2.867  -8.430  -0.050
    2    HA2  H00   1           HA2      H00   1   2.453  -7.084  -1.115
    3    HB1  H00   1           HB1      H00   1   1.328  -7.465   1.661
    4    HB2  H00   1           HB2      H00   1   0.519  -7.996   0.184
    5    HG1  H00   1           HG1      H00   1   0.857  -5.526  -0.568
    6    HG2  H00   1           HG2      H00   1   1.054  -5.219   1.158
    7    H    THR   2           HN       THR   2   3.713  -5.352  -0.992
    8    HA   THR   2           HA       THR   2   5.636  -5.151   1.164
    9    HB   THR   2           HB       THR   2   6.524  -3.211  -0.138
   10    HG1  THR   2           HG1      THR   2   4.611  -3.985  -2.100
   11   HG21  THR   2          HG21      THR   2   7.344  -4.526  -2.040
   12   HG22  THR   2          HG22      THR   2   6.106  -5.743  -1.726
   13   HG23  THR   2          HG23      THR   2   7.383  -5.460  -0.545
   14    HA   PRO   3           HA       PRO   3   3.706  -2.188   3.798
   15    HB2  PRO   3           HB2      PRO   3   6.054  -0.412   3.300
   16    HB3  PRO   3           HB1      PRO   3   5.336  -0.924   4.834
   17    HG2  PRO   3           HG2      PRO   3   7.593  -2.029   3.997
   18    HG3  PRO   3           HG1      PRO   3   6.331  -3.025   4.750
   19    HD2  PRO   3           HD2      PRO   3   7.081  -2.769   1.872
   20    HD3  PRO   3           HD1      PRO   3   6.549  -4.199   2.780
   21    H    ARG   4           HN       ARG   4   5.197  -0.777   0.884
   22    HA   ARG   4           HA       ARG   4   3.593   1.579   0.899
   23    HB2  ARG   4           HB2      ARG   4   5.051   0.292  -1.406
   24    HB3  ARG   4           HB1      ARG   4   4.403   1.926  -1.381
   25    HG2  ARG   4           HG2      ARG   4   5.922   2.387   0.558
   26    HG3  ARG   4           HG1      ARG   4   6.647   0.806   0.233
   27    HD2  ARG   4           HD2      ARG   4   7.891   2.676  -0.824
   28    HD3  ARG   4           HD1      ARG   4   7.277   1.502  -1.991
   29    HE   ARG   4           HE       ARG   4   5.457   3.659  -1.578
   30   HH11  ARG   4          HH11      ARG   4   8.413   2.809  -3.260
   31   HH12  ARG   4          HH12      ARG   4   8.142   3.914  -4.564
   32   HH21  ARG   4          HH21      ARG   4   5.086   5.102  -3.308
   33   HH22  ARG   4          HH22      ARG   4   6.235   5.224  -4.593
   34    H    GLN   5           HN       GLN   5   3.413  -1.468  -0.854
   35    HA   GLN   5           HA       GLN   5   1.095  -0.907  -2.351
   36    HB2  GLN   5           HB2      GLN   5   2.290  -3.481  -1.361
   37    HB3  GLN   5           HB1      GLN   5   0.798  -3.455  -2.294
   38    HG2  GLN   5           HG2      GLN   5   1.904  -2.534  -4.182
   39    HG3  GLN   5           HG1      GLN   5   3.373  -2.241  -3.251
   40   HE21  GLN   5          HE21      GLN   5   2.910  -3.822  -5.686
   41   HE22  GLN   5          HE22      GLN   5   3.488  -5.414  -5.312
   42    H    ALA   6           HN       ALA   6   1.520  -2.193   0.903
   43    HA   ALA   6           HA       ALA   6  -1.158  -2.790   1.458
   44    HB1  ALA   6           HB1      ALA   6  -0.530  -2.607   3.818
   45    HB2  ALA   6           HB2      ALA   6   0.975  -1.809   3.359
   46    HB3  ALA   6           HB3      ALA   6   0.693  -3.489   2.903
   47    H    ARG   7           HN       ARG   7   0.690   0.211   1.823
   48    HA   ARG   7           HA       ARG   7  -1.302   1.803   3.001
   49    HB2  ARG   7           HB2      ARG   7   0.861   2.624   1.058
   50    HB3  ARG   7           HB1      ARG   7  -0.063   3.727   2.060
   51    HG2  ARG   7           HG2      ARG   7   0.889   2.638   4.058
   52    HG3  ARG   7           HG1      ARG   7   1.852   1.621   2.983
   53    HD2  ARG   7           HD2      ARG   7   2.975   3.551   2.077
   54    HD3  ARG   7           HD1      ARG   7   1.942   4.633   3.006
   55    HE   ARG   7           HE       ARG   7   3.272   2.881   4.753
   56   HH11  ARG   7          HH11      ARG   7   3.928   5.624   2.670
   57   HH12  ARG   7          HH12      ARG   7   5.254   6.194   3.615
   58   HH21  ARG   7          HH21      ARG   7   5.026   3.631   6.012
   59   HH22  ARG   7          HH22      ARG   7   5.884   5.054   5.536
   60    H    ALA   8           HN       ALA   8  -0.446   1.266  -0.370
   61    HA   ALA   8           HA       ALA   8  -2.349   2.981  -1.524
   62    HB1  ALA   8           HB1      ALA   8  -0.414   2.092  -2.740
   63    HB2  ALA   8           HB2      ALA   8  -1.924   1.786  -3.598
   64    HB3  ALA   8           HB3      ALA   8  -1.138   0.484  -2.705
   65    H    ALA   9           HN       ALA   9  -2.486  -0.472  -0.763
   66    HA   ALA   9           HA       ALA   9  -5.008  -1.011  -1.848
   67    HB1  ALA   9           HB1      ALA   9  -3.683  -2.307   0.531
   68    HB2  ALA   9           HB2      ALA   9  -3.427  -2.746  -1.158
   69    HB3  ALA   9           HB3      ALA   9  -5.010  -2.981  -0.416
   70    H    ARG  10           HN       ARG  10  -4.065   0.035   1.396
   71    HA   ARG  10           HA       ARG  10  -6.654  -0.028   2.522
   72    HB2  ARG  10           HB2      ARG  10  -4.260   1.646   3.294
   73    HB3  ARG  10           HB1      ARG  10  -5.695   1.415   4.283
   74    HG2  ARG  10           HG2      ARG  10  -5.228  -0.907   4.548
   75    HG3  ARG  10           HG1      ARG  10  -3.921  -0.827   3.365
   76    HD2  ARG  10           HD2      ARG  10  -2.789   0.817   4.899
   77    HD3  ARG  10           HD1      ARG  10  -4.015   0.414   6.104
   78    HE   ARG  10           HE       ARG  10  -2.952  -1.986   5.264
   79   HH11  ARG  10          HH11      ARG  10  -1.771   0.920   6.822
   80   HH12  ARG  10          HH12      ARG  10  -0.497   0.119   7.670
   81   HH21  ARG  10          HH21      ARG  10  -1.249  -3.072   6.381
   82   HH22  ARG  10          HH22      ARG  10  -0.194  -2.173   7.411
   83    H    ALA  11           HN       ALA  11  -4.829   2.505   0.887
   84    HA   ALA  11           HA       ALA  11  -6.715   4.573   1.294
   85    HB1  ALA  11           HB1      ALA  11  -4.663   4.276  -0.897
   86    HB2  ALA  11           HB2      ALA  11  -4.389   5.012   0.683
   87    HB3  ALA  11           HB3      ALA  11  -5.505   5.762  -0.460
   88    H    ALA  12           HN       ALA  12  -6.216   2.274  -1.356
   89    HA   ALA  12           HA       ALA  12  -8.237   3.350  -3.036
   90    HB1  ALA  12           HB1      ALA  12  -6.366   2.022  -3.895
   91    HB2  ALA  12           HB2      ALA  12  -7.923   1.356  -4.386
   92    HB3  ALA  12           HB3      ALA  12  -7.012   0.597  -3.082
   93    H    DAL  13           HN       DAL  13  -8.304   1.111  -0.393
   94    HA   DAL  13           HA       DAL  13 -11.207   0.879  -0.777
   95    HB1  DAL  13           HB1      DAL  13 -11.367   0.543   1.624
   96    HB2  DAL  13           HB2      DAL  13 -10.498   2.032   1.258
   97    HB3  DAL  13           HB3      DAL  13  -9.610   0.595   1.761
   98    H    CYS  14           HN       CYS  14  -8.454  -0.922  -1.145
   99    HA   CYS  14           HA       CYS  14  -9.961  -3.373  -1.259
  100    HB2  CYS  14           HB2      CYS  14  -7.064  -3.582  -1.618
  101    HB3  CYS  14           HB1      CYS  14  -8.367  -4.064  -2.694
  102    HN1  NH2  15           HN1      NH2  15  -6.914  -2.874   1.195
  103    HN2  NH2  15           HN2      NH2  15  -6.715  -4.227   0.140
  104   HB11  B0I 101          HB12      B0I  15  -2.772  -6.950  -0.768
  105    H1   B0I 101          HB11      B0I  15  -1.174  -7.669  -0.914
  106    HD1  B0I 101           HD1      B0I  15  -3.136  -4.724  -1.802
  107    HD2  B0I 101           HD2      B0I  15   0.241  -7.107  -2.687
  108    HE2  B0I 101           HE2      B0I  15   0.605  -5.854  -4.772
  109    HZ1  B0I 101           HZ1      B0I  15  -0.916  -4.015  -5.376
  110    H2   B0I 101          HB21      B0I  15  -6.858  -3.735  -4.411
  111   HB21  B0I 101          HB22      B0I  15  -7.038  -2.299  -5.420
  112    HD3  B0I 101           HD3      B0I  15  -4.733  -4.432  -3.862
  113    HD4  B0I 101           HD4      B0I  15  -5.365  -0.347  -4.870
  114    HE4  B0I 101           HE4      B0I  15  -2.944   0.069  -4.714
  115    HZ2  B0I 101           HZ2      B0I  15  -1.418  -1.768  -4.129
  Start of MODEL   13
    1    HA1  H00   1           HA1      H00   1   3.668  -6.809   6.645
    2    HA2  H00   1           HA2      H00   1   3.168  -6.918   4.956
    3    HB1  H00   1           HB1      H00   1   2.580  -4.505   6.658
    4    HB2  H00   1           HB2      H00   1   1.494  -5.896   6.589
    5    HG1  H00   1           HG1      H00   1   1.558  -5.592   4.050
    6    HG2  H00   1           HG2      H00   1   2.260  -4.007   4.383
    7    H    THR   2           HN       THR   2   4.418  -5.984   3.444
    8    HA   THR   2           HA       THR   2   6.821  -4.617   4.301
    9    HB   THR   2           HB       THR   2   7.339  -4.712   1.820
   10    HG1  THR   2           HG1      THR   2   5.967  -6.044   0.576
   11   HG21  THR   2          HG21      THR   2   8.198  -6.405   3.374
   12   HG22  THR   2          HG22      THR   2   7.785  -7.133   1.821
   13   HG23  THR   2          HG23      THR   2   6.705  -7.328   3.202
   14    HA   PRO   3           HA       PRO   3   5.641  -0.429   3.478
   15    HB2  PRO   3           HB2      PRO   3   7.889  -0.300   1.520
   16    HB3  PRO   3           HB1      PRO   3   7.511   0.778   2.872
   17    HG2  PRO   3           HG2      PRO   3   9.481  -0.965   3.096
   18    HG3  PRO   3           HG1      PRO   3   8.373  -0.690   4.454
   19    HD2  PRO   3           HD2      PRO   3   8.471  -2.974   2.524
   20    HD3  PRO   3           HD1      PRO   3   8.137  -2.983   4.268
   21    H    ARG   4           HN       ARG   4   6.548  -2.283   0.581
   22    HA   ARG   4           HA       ARG   4   5.211  -0.692  -1.307
   23    HB2  ARG   4           HB2      ARG   4   5.623  -3.681  -1.415
   24    HB3  ARG   4           HB1      ARG   4   5.266  -2.635  -2.780
   25    HG2  ARG   4           HG2      ARG   4   7.423  -1.469  -2.367
   26    HG3  ARG   4           HG1      ARG   4   7.758  -2.677  -1.120
   27    HD2  ARG   4           HD2      ARG   4   7.615  -4.455  -2.777
   28    HD3  ARG   4           HD1      ARG   4   7.215  -3.279  -4.024
   29    HE   ARG   4           HE       ARG   4   9.662  -2.541  -2.901
   30   HH11  ARG   4          HH11      ARG   4   8.291  -5.125  -4.822
   31   HH12  ARG   4          HH12      ARG   4   9.780  -5.542  -5.589
   32   HH21  ARG   4          HH21      ARG   4  11.659  -3.055  -3.969
   33   HH22  ARG   4          HH22      ARG   4  11.696  -4.341  -5.119
   34    H    GLN   5           HN       GLN   5   4.160  -3.585   0.423
   35    HA   GLN   5           HA       GLN   5   1.546  -3.645  -0.651
   36    HB2  GLN   5           HB2      GLN   5   2.599  -4.800   1.933
   37    HB3  GLN   5           HB1      GLN   5   1.031  -5.177   1.228
   38    HG2  GLN   5           HG2      GLN   5   2.132  -6.119  -0.727
   39    HG3  GLN   5           HG1      GLN   5   3.706  -5.728  -0.037
   40   HE21  GLN   5          HE21      GLN   5   2.627  -8.298  -0.812
   41   HE22  GLN   5          HE22      GLN   5   2.669  -9.294   0.606
   42    H    ALA   6           HN       ALA   6   2.914  -2.127   2.212
   43    HA   ALA   6           HA       ALA   6   0.492  -1.349   3.419
   44    HB1  ALA   6           HB1      ALA   6   2.628  -1.341   4.609
   45    HB2  ALA   6           HB2      ALA   6   1.847   0.238   4.692
   46    HB3  ALA   6           HB3      ALA   6   3.196  -0.021   3.587
   47    H    ARG   7           HN       ARG   7   2.613   0.316   1.117
   48    HA   ARG   7           HA       ARG   7   1.018   2.681   0.982
   49    HB2  ARG   7           HB2      ARG   7   2.982   1.620  -1.053
   50    HB3  ARG   7           HB1      ARG   7   2.367   3.262  -0.964
   51    HG2  ARG   7           HG2      ARG   7   3.477   3.578   1.174
   52    HG3  ARG   7           HG1      ARG   7   4.053   1.908   1.114
   53    HD2  ARG   7           HD2      ARG   7   4.776   4.159  -0.757
   54    HD3  ARG   7           HD1      ARG   7   5.833   3.359   0.406
   55    HE   ARG   7           HE       ARG   7   4.666   1.931  -1.900
   56   HH11  ARG   7          HH11      ARG   7   7.447   2.747   0.094
   57   HH12  ARG   7          HH12      ARG   7   8.530   1.743  -0.801
   58   HH21  ARG   7          HH21      ARG   7   6.105   0.622  -3.082
   59   HH22  ARG   7          HH22      ARG   7   7.767   0.541  -2.610
   60    H    ALA   8           HN       ALA   8   1.303  -0.230  -0.979
   61    HA   ALA   8           HA       ALA   8  -0.507   0.486  -3.003
   62    HB1  ALA   8           HB1      ALA   8   1.054  -1.389  -3.207
   63    HB2  ALA   8           HB2      ALA   8  -0.606  -1.891  -3.532
   64    HB3  ALA   8           HB3      ALA   8   0.145  -2.276  -1.984
   65    H    ALA   9           HN       ALA   9  -1.007  -0.900   0.178
   66    HA   ALA   9           HA       ALA   9  -3.688  -1.669  -0.117
   67    HB1  ALA   9           HB1      ALA   9  -3.805  -1.586   2.322
   68    HB2  ALA   9           HB2      ALA   9  -2.294  -0.677   2.371
   69    HB3  ALA   9           HB3      ALA   9  -2.302  -2.342   1.792
   70    H    ARG  10           HN       ARG  10  -2.222   1.406   0.808
   71    HA   ARG  10           HA       ARG  10  -4.713   2.738   1.270
   72    HB2  ARG  10           HB2      ARG  10  -1.988   3.915   0.686
   73    HB3  ARG  10           HB1      ARG  10  -3.372   4.794   1.315
   74    HG2  ARG  10           HG2      ARG  10  -1.923   2.556   2.714
   75    HG3  ARG  10           HG1      ARG  10  -1.764   4.277   3.066
   76    HD2  ARG  10           HD2      ARG  10  -4.088   4.391   3.730
   77    HD3  ARG  10           HD1      ARG  10  -4.331   2.707   3.268
   78    HE   ARG  10           HE       ARG  10  -2.320   3.270   5.301
   79   HH11  ARG  10          HH11      ARG  10  -5.573   2.187   4.561
   80   HH12  ARG  10          HH12      ARG  10  -5.770   1.334   6.054
   81   HH21  ARG  10          HH21      ARG  10  -2.586   2.152   7.296
   82   HH22  ARG  10          HH22      ARG  10  -4.060   1.301   7.608
   83    H    ALA  11           HN       ALA  11  -2.534   2.355  -1.431
   84    HA   ALA  11           HA       ALA  11  -3.725   4.242  -3.151
   85    HB1  ALA  11           HB1      ALA  11  -2.476   3.130  -4.920
   86    HB2  ALA  11           HB2      ALA  11  -2.149   1.770  -3.847
   87    HB3  ALA  11           HB3      ALA  11  -1.471   3.358  -3.489
   88    H    ALA  12           HN       ALA  12  -4.281   0.784  -2.655
   89    HA   ALA  12           HA       ALA  12  -6.206   0.618  -4.778
   90    HB1  ALA  12           HB1      ALA  12  -4.816  -1.303  -4.139
   91    HB2  ALA  12           HB2      ALA  12  -6.538  -1.672  -4.046
   92    HB3  ALA  12           HB3      ALA  12  -5.624  -1.354  -2.572
   93    H    DAL  13           HN       DAL  13  -6.340   0.926  -1.266
   94    HA   DAL  13           HA       DAL  13  -9.231   1.423  -1.537
   95    HB1  DAL  13           HB1      DAL  13  -7.911   3.376  -0.867
   96    HB2  DAL  13           HB2      DAL  13  -7.353   2.498   0.557
   97    HB3  DAL  13           HB3      DAL  13  -9.063   2.892   0.375
   98    H    CYS  14           HN       CYS  14  -6.825  -0.449   0.066
   99    HA   CYS  14           HA       CYS  14  -8.927  -1.952   1.418
  100    HB2  CYS  14           HB2      CYS  14  -6.371  -3.137   1.799
  101    HB3  CYS  14           HB1      CYS  14  -7.712  -3.724   0.826
  102    HN1  NH2  15           HN1      NH2  15  -5.666  -0.556   2.433
  103    HN2  NH2  15           HN2      NH2  15  -5.789  -1.728   3.692
  104   HB11  B0I 101          HB12      B0I  15  -2.016  -5.373   5.415
  105    H1   B0I 101          HB11      B0I  15  -0.568  -6.312   5.754
  106    HD1  B0I 101           HD1      B0I  15  -1.945  -4.583   2.812
  107    HD2  B0I 101           HD2      B0I  15  -0.324  -8.145   4.417
  108    HE2  B0I 101           HE2      B0I  15  -0.510  -9.243   2.222
  109    HZ1  B0I 101           HZ1      B0I  15  -1.425  -7.998   0.305
  110    H2   B0I 101          HB21      B0I  15  -6.130  -4.996  -0.222
  111   HB21  B0I 101          HB22      B0I  15  -5.945  -4.540  -1.917
  112    HD3  B0I 101           HD3      B0I  15  -4.278  -5.634   1.039
  113    HD4  B0I 101           HD4      B0I  15  -3.699  -3.582  -2.643
  114    HE4  B0I 101           HE4      B0I  15  -1.281  -3.995  -2.499
  115    HZ2  B0I 101           HZ2      B0I  15  -0.355  -5.231  -0.580
  Start of MODEL   14
    1    HA1  H00   1           HA1      H00   1   3.271  -6.954   6.404
    2    HA2  H00   1           HA2      H00   1   2.954  -6.957   4.667
    3    HB1  H00   1           HB1      H00   1   2.026  -4.841   6.616
    4    HB2  H00   1           HB2      H00   1   1.023  -6.142   5.968
    5    HG1  H00   1           HG1      H00   1   1.520  -5.270   3.676
    6    HG2  H00   1           HG2      H00   1   2.303  -3.884   4.439
    7    H    THR   2           HN       THR   2   4.460  -6.061   3.423
    8    HA   THR   2           HA       THR   2   6.606  -4.563   4.646
    9    HB   THR   2           HB       THR   2   7.544  -4.621   2.288
   10    HG1  THR   2           HG1      THR   2   6.280  -6.513   1.169
   11   HG21  THR   2          HG21      THR   2   8.108  -7.007   2.393
   12   HG22  THR   2          HG22      THR   2   6.799  -7.268   3.545
   13   HG23  THR   2          HG23      THR   2   8.183  -6.269   3.991
   14    HA   PRO   3           HA       PRO   3   5.432  -0.419   3.755
   15    HB2  PRO   3           HB2      PRO   3   7.583   0.406   2.137
   16    HB3  PRO   3           HB1      PRO   3   7.478   0.538   3.895
   17    HG2  PRO   3           HG2      PRO   3   8.830  -1.525   2.226
   18    HG3  PRO   3           HG1      PRO   3   9.305  -0.861   3.800
   19    HD2  PRO   3           HD2      PRO   3   8.241  -3.302   3.593
   20    HD3  PRO   3           HD1      PRO   3   7.844  -2.241   4.960
   21    H    ARG   4           HN       ARG   4   6.735  -2.095   0.873
   22    HA   ARG   4           HA       ARG   4   5.458  -0.461  -1.021
   23    HB2  ARG   4           HB2      ARG   4   5.852  -2.240  -2.643
   24    HB3  ARG   4           HB1      ARG   4   7.267  -2.028  -1.626
   25    HG2  ARG   4           HG2      ARG   4   6.758  -4.008  -0.391
   26    HG3  ARG   4           HG1      ARG   4   5.192  -4.155  -1.185
   27    HD2  ARG   4           HD2      ARG   4   6.331  -4.489  -3.334
   28    HD3  ARG   4           HD1      ARG   4   7.889  -4.393  -2.510
   29    HE   ARG   4           HE       ARG   4   7.133  -6.381  -1.218
   30   HH11  ARG   4          HH11      ARG   4   5.863  -5.761  -4.435
   31   HH12  ARG   4          HH12      ARG   4   5.423  -7.409  -4.707
   32   HH21  ARG   4          HH21      ARG   4   6.555  -8.552  -1.596
   33   HH22  ARG   4          HH22      ARG   4   5.822  -9.007  -3.094
   34    H    GLN   5           HN       GLN   5   4.374  -3.407   0.602
   35    HA   GLN   5           HA       GLN   5   1.923  -3.631  -0.807
   36    HB2  GLN   5           HB2      GLN   5   2.804  -4.734   1.858
   37    HB3  GLN   5           HB1      GLN   5   1.287  -5.158   1.069
   38    HG2  GLN   5           HG2      GLN   5   2.472  -6.136  -0.782
   39    HG3  GLN   5           HG1      GLN   5   4.015  -5.604  -0.116
   40   HE21  GLN   5          HE21      GLN   5   3.040  -8.275  -0.772
   41   HE22  GLN   5          HE22      GLN   5   3.183  -9.199   0.685
   42    H    ALA   6           HN       ALA   6   2.907  -2.052   2.167
   43    HA   ALA   6           HA       ALA   6   0.349  -1.380   3.124
   44    HB1  ALA   6           HB1      ALA   6   2.347  -1.267   4.518
   45    HB2  ALA   6           HB2      ALA   6   1.512   0.288   4.495
   46    HB3  ALA   6           HB3      ALA   6   2.971   0.056   3.533
   47    H    ARG   7           HN       ARG   7   2.608   0.358   1.027
   48    HA   ARG   7           HA       ARG   7   0.998   2.674   0.707
   49    HB2  ARG   7           HB2      ARG   7   3.086   1.553  -1.177
   50    HB3  ARG   7           HB1      ARG   7   2.453   3.193  -1.197
   51    HG2  ARG   7           HG2      ARG   7   3.407   3.600   1.003
   52    HG3  ARG   7           HG1      ARG   7   4.000   1.937   1.042
   53    HD2  ARG   7           HD2      ARG   7   5.406   2.394  -0.909
   54    HD3  ARG   7           HD1      ARG   7   4.811   4.055  -0.950
   55    HE   ARG   7           HE       ARG   7   5.826   3.688   1.583
   56   HH11  ARG   7          HH11      ARG   7   7.097   3.521  -1.678
   57   HH12  ARG   7          HH12      ARG   7   8.695   3.992  -1.224
   58   HH21  ARG   7          HH21      ARG   7   7.955   4.299   2.201
   59   HH22  ARG   7          HH22      ARG   7   9.189   4.423   0.997
   60    H    ALA   8           HN       ALA   8   1.322  -0.331  -1.062
   61    HA   ALA   8           HA       ALA   8  -0.390   0.293  -3.210
   62    HB1  ALA   8           HB1      ALA   8  -0.505  -2.103  -3.606
   63    HB2  ALA   8           HB2      ALA   8   0.155  -2.416  -2.001
   64    HB3  ALA   8           HB3      ALA   8   1.145  -1.619  -3.222
   65    H    ALA   9           HN       ALA   9  -1.011  -1.060  -0.019
   66    HA   ALA   9           HA       ALA   9  -3.730  -1.673  -0.367
   67    HB1  ALA   9           HB1      ALA   9  -2.324  -0.828   2.167
   68    HB2  ALA   9           HB2      ALA   9  -2.378  -2.469   1.528
   69    HB3  ALA   9           HB3      ALA   9  -3.864  -1.682   2.062
   70    H    ARG  10           HN       ARG  10  -2.082   1.278   0.631
   71    HA   ARG  10           HA       ARG  10  -4.381   2.785   1.230
   72    HB2  ARG  10           HB2      ARG  10  -2.098   3.393   1.944
   73    HB3  ARG  10           HB1      ARG  10  -1.672   3.720   0.270
   74    HG2  ARG  10           HG2      ARG  10  -3.528   5.427   0.269
   75    HG3  ARG  10           HG1      ARG  10  -3.594   5.195   2.016
   76    HD2  ARG  10           HD2      ARG  10  -1.253   5.850   2.200
   77    HD3  ARG  10           HD1      ARG  10  -1.163   6.047   0.454
   78    HE   ARG  10           HE       ARG  10  -2.852   7.693   2.221
   79   HH11  ARG  10          HH11      ARG  10  -0.829   7.336  -0.636
   80   HH12  ARG  10          HH12      ARG  10  -0.961   8.996  -1.100
   81   HH21  ARG  10          HH21      ARG  10  -3.029   9.907   1.602
   82   HH22  ARG  10          HH22      ARG  10  -2.221  10.465   0.180
   83    H    ALA  11           HN       ALA  11  -2.548   2.249  -1.730
   84    HA   ALA  11           HA       ALA  11  -3.842   4.203  -3.310
   85    HB1  ALA  11           HB1      ALA  11  -1.684   3.238  -3.918
   86    HB2  ALA  11           HB2      ALA  11  -2.859   3.052  -5.221
   87    HB3  ALA  11           HB3      ALA  11  -2.455   1.677  -4.193
   88    H    ALA  12           HN       ALA  12  -4.539   0.792  -2.719
   89    HA   ALA  12           HA       ALA  12  -6.712   0.805  -4.630
   90    HB1  ALA  12           HB1      ALA  12  -7.061  -1.518  -3.950
   91    HB2  ALA  12           HB2      ALA  12  -5.865  -1.326  -2.669
   92    HB3  ALA  12           HB3      ALA  12  -5.374  -1.214  -4.359
   93    H    DAL  13           HN       DAL  13  -6.300   1.017  -1.163
   94    HA   DAL  13           HA       DAL  13  -9.132   1.729  -0.932
   95    HB1  DAL  13           HB1      DAL  13  -8.506   2.712   1.226
   96    HB2  DAL  13           HB2      DAL  13  -7.522   3.359  -0.086
   97    HB3  DAL  13           HB3      DAL  13  -6.852   2.145   1.004
   98    H    CYS  14           HN       CYS  14  -6.659  -0.269   0.620
   99    HA   CYS  14           HA       CYS  14  -8.796  -2.043   1.586
  100    HB2  CYS  14           HB2      CYS  14  -6.137  -3.177   1.688
  101    HB3  CYS  14           HB1      CYS  14  -7.572  -3.773   0.868
  102    HN1  NH2  15           HN1      NH2  15  -8.162  -0.044   4.034
  103    HN2  NH2  15           HN2      NH2  15  -9.053  -1.517   4.012
  104   HB11  B0I 101          HB12      B0I  15  -2.211  -4.839   4.624
  105    H1   B0I 101          HB11      B0I  15  -0.979  -5.941   5.227
  106    HD1  B0I 101           HD1      B0I  15  -2.279  -4.351   2.219
  107    HD2  B0I 101           HD2      B0I  15   0.089  -7.478   3.799
  108    HE2  B0I 101           HE2      B0I  15   0.227  -8.522   1.575
  109    HZ1  B0I 101           HZ1      B0I  15  -0.899  -7.471  -0.346
  110    H2   B0I 101          HB21      B0I  15  -6.244  -4.886  -0.569
  111   HB21  B0I 101          HB22      B0I  15  -6.198  -4.247  -2.210
  112    HD3  B0I 101           HD3      B0I  15  -4.221  -5.269   0.672
  113    HD4  B0I 101           HD4      B0I  15  -4.094  -3.610  -3.242
  114    HE4  B0I 101           HE4      B0I  15  -1.677  -4.043  -3.353
  115    HZ2  B0I 101           HZ2      B0I  15  -0.525  -5.093  -1.445
  Start of MODEL   15
    1    HA1  H00   1           HA1      H00   1   3.594  -6.690   6.572
    2    HA2  H00   1           HA2      H00   1   3.158  -6.788   4.865
    3    HB1  H00   1           HB1      H00   1   2.347  -4.510   6.669
    4    HB2  H00   1           HB2      H00   1   1.337  -5.931   6.378
    5    HG1  H00   1           HG1      H00   1   1.561  -5.406   3.909
    6    HG2  H00   1           HG2      H00   1   2.229  -3.849   4.404
    7    H    THR   2           HN       THR   2   4.668  -6.053   3.531
    8    HA   THR   2           HA       THR   2   6.848  -4.457   4.494
    9    HB   THR   2           HB       THR   2   7.668  -4.577   2.152
   10    HG1  THR   2           HG1      THR   2   6.305  -6.083   0.793
   11   HG21  THR   2          HG21      THR   2   6.675  -7.223   3.228
   12   HG22  THR   2          HG22      THR   2   8.178  -6.421   3.685
   13   HG23  THR   2          HG23      THR   2   7.960  -7.015   2.039
   14    HA   PRO   3           HA       PRO   3   5.585  -0.315   3.552
   15    HB2  PRO   3           HB2      PRO   3   7.866  -0.179   1.626
   16    HB3  PRO   3           HB1      PRO   3   7.433   0.932   2.934
   17    HG2  PRO   3           HG2      PRO   3   9.453  -0.754   3.245
   18    HG3  PRO   3           HG1      PRO   3   8.323  -0.449   4.579
   19    HD2  PRO   3           HD2      PRO   3   8.520  -2.809   2.763
   20    HD3  PRO   3           HD1      PRO   3   8.121  -2.747   4.492
   21    H    ARG   4           HN       ARG   4   6.626  -2.208   0.741
   22    HA   ARG   4           HA       ARG   4   5.317  -0.762  -1.270
   23    HB2  ARG   4           HB2      ARG   4   5.767  -3.747  -1.193
   24    HB3  ARG   4           HB1      ARG   4   5.485  -2.771  -2.623
   25    HG2  ARG   4           HG2      ARG   4   7.615  -1.625  -2.253
   26    HG3  ARG   4           HG1      ARG   4   7.877  -2.623  -0.816
   27    HD2  ARG   4           HD2      ARG   4   7.827  -4.634  -2.193
   28    HD3  ARG   4           HD1      ARG   4   7.535  -3.659  -3.628
   29    HE   ARG   4           HE       ARG   4   9.879  -2.720  -2.496
   30   HH11  ARG   4          HH11      ARG   4   8.682  -5.719  -3.864
   31   HH12  ARG   4          HH12      ARG   4  10.231  -6.239  -4.432
   32   HH21  ARG   4          HH21      ARG   4  11.957  -3.404  -3.269
   33   HH22  ARG   4          HH22      ARG   4  12.099  -4.922  -4.092
   34    H    GLN   5           HN       GLN   5   4.266  -3.598   0.559
   35    HA   GLN   5           HA       GLN   5   1.729  -3.859  -0.638
   36    HB2  GLN   5           HB2      GLN   5   2.618  -4.721   2.114
   37    HB3  GLN   5           HB1      GLN   5   1.181  -5.294   1.275
   38    HG2  GLN   5           HG2      GLN   5   2.529  -6.362  -0.403
   39    HG3  GLN   5           HG1      GLN   5   3.999  -5.674   0.289
   40   HE21  GLN   5          HE21      GLN   5   3.321  -8.452  -0.149
   41   HE22  GLN   5          HE22      GLN   5   3.392  -9.219   1.402
   42    H    ALA   6           HN       ALA   6   2.787  -2.184   2.296
   43    HA   ALA   6           HA       ALA   6   0.238  -1.463   3.233
   44    HB1  ALA   6           HB1      ALA   6   2.851  -0.017   3.653
   45    HB2  ALA   6           HB2      ALA   6   2.259  -1.371   4.614
   46    HB3  ALA   6           HB3      ALA   6   1.392   0.164   4.627
   47    H    ARG   7           HN       ARG   7   2.502   0.268   1.120
   48    HA   ARG   7           HA       ARG   7   0.865   2.590   0.872
   49    HB2  ARG   7           HB2      ARG   7   3.042   1.604  -0.977
   50    HB3  ARG   7           HB1      ARG   7   2.377   3.234  -0.930
   51    HG2  ARG   7           HG2      ARG   7   3.261   3.592   1.266
   52    HG3  ARG   7           HG1      ARG   7   3.774   1.904   1.356
   53    HD2  ARG   7           HD2      ARG   7   5.258   2.333  -0.601
   54    HD3  ARG   7           HD1      ARG   7   4.843   4.043  -0.475
   55    HE   ARG   7           HE       ARG   7   5.696   3.569   1.986
   56   HH11  ARG   7          HH11      ARG   7   7.085   2.621  -1.087
   57   HH12  ARG   7          HH12      ARG   7   8.708   2.580  -0.490
   58   HH21  ARG   7          HH21      ARG   7   7.859   3.510   2.784
   59   HH22  ARG   7          HH22      ARG   7   9.149   3.097   1.706
   60    H    ALA   8           HN       ALA   8   1.263  -0.353  -0.984
   61    HA   ALA   8           HA       ALA   8  -0.382   0.371  -3.167
   62    HB1  ALA   8           HB1      ALA   8   1.162  -1.528  -3.247
   63    HB2  ALA   8           HB2      ALA   8  -0.481  -2.016  -3.664
   64    HB3  ALA   8           HB3      ALA   8   0.171  -2.385  -2.068
   65    H    ALA   9           HN       ALA   9  -1.066  -1.194  -0.076
   66    HA   ALA   9           HA       ALA   9  -3.781  -1.757  -0.502
   67    HB1  ALA   9           HB1      ALA   9  -2.502  -2.676   1.377
   68    HB2  ALA   9           HB2      ALA   9  -3.956  -1.850   1.940
   69    HB3  ALA   9           HB3      ALA   9  -2.384  -1.066   2.087
   70    H    ARG  10           HN       ARG  10  -2.158   1.082   0.846
   71    HA   ARG  10           HA       ARG  10  -4.429   2.602   1.425
   72    HB2  ARG  10           HB2      ARG  10  -2.178   3.132   2.248
   73    HB3  ARG  10           HB1      ARG  10  -1.664   3.508   0.612
   74    HG2  ARG  10           HG2      ARG  10  -3.291   5.347   0.549
   75    HG3  ARG  10           HG1      ARG  10  -3.728   4.971   2.219
   76    HD2  ARG  10           HD2      ARG  10  -2.129   6.832   2.081
   77    HD3  ARG  10           HD1      ARG  10  -1.466   5.445   2.946
   78    HE   ARG  10           HE       ARG  10  -0.836   5.565   0.121
   79   HH11  ARG  10          HH11      ARG  10   0.182   6.410   3.359
   80   HH12  ARG  10          HH12      ARG  10   1.856   6.510   2.945
   81   HH21  ARG  10          HH21      ARG  10   1.375   5.709  -0.434
   82   HH22  ARG  10          HH22      ARG  10   2.541   6.112   0.783
   83    H    ALA  11           HN       ALA  11  -2.522   2.251  -1.512
   84    HA   ALA  11           HA       ALA  11  -3.766   4.312  -2.986
   85    HB1  ALA  11           HB1      ALA  11  -2.755   3.247  -4.938
   86    HB2  ALA  11           HB2      ALA  11  -2.376   1.825  -3.965
   87    HB3  ALA  11           HB3      ALA  11  -1.607   3.370  -3.605
   88    H    ALA  12           HN       ALA  12  -4.348   0.824  -2.810
   89    HA   ALA  12           HA       ALA  12  -6.435   0.837  -4.739
   90    HB1  ALA  12           HB1      ALA  12  -5.089  -1.149  -4.249
   91    HB2  ALA  12           HB2      ALA  12  -6.817  -1.457  -4.066
   92    HB3  ALA  12           HB3      ALA  12  -5.808  -1.228  -2.639
   93    H    DAL  13           HN       DAL  13  -6.369   1.019  -1.220
   94    HA   DAL  13           HA       DAL  13  -9.264   1.571  -1.302
   95    HB1  DAL  13           HB1      DAL  13  -7.215   2.626   0.642
   96    HB2  DAL  13           HB2      DAL  13  -8.940   2.989   0.658
   97    HB3  DAL  13           HB3      DAL  13  -7.937   3.528  -0.690
   98    H    CYS  14           HN       CYS  14  -6.788  -0.396   0.022
   99    HA   CYS  14           HA       CYS  14  -8.749  -1.992   1.412
  100    HB2  CYS  14           HB2      CYS  14  -5.928  -2.733   1.703
  101    HB3  CYS  14           HB1      CYS  14  -7.290  -3.695   1.151
  102    HN1  NH2  15           HN1      NH2  15  -8.565  -0.935   4.469
  103    HN2  NH2  15           HN2      NH2  15  -9.127  -0.156   3.037
  104   HB11  B0I 101          HB12      B0I  15  -2.100  -5.283   5.040
  105    H1   B0I 101          HB11      B0I  15  -0.685  -6.227   5.484
  106    HD1  B0I 101           HD1      B0I  15  -2.124  -4.552   2.552
  107    HD2  B0I 101           HD2      B0I  15   0.025  -7.870   4.046
  108    HE2  B0I 101           HE2      B0I  15   0.045  -8.894   1.808
  109    HZ1  B0I 101           HZ1      B0I  15  -1.033  -7.732  -0.078
  110    H2   B0I 101          HB21      B0I  15  -6.165  -4.965  -0.220
  111   HB21  B0I 101          HB22      B0I  15  -6.123  -4.623  -1.949
  112    HD3  B0I 101           HD3      B0I  15  -4.220  -5.569   0.885
  113    HD4  B0I 101           HD4      B0I  15  -3.952  -3.588  -2.866
  114    HE4  B0I 101           HE4      B0I  15  -1.520  -3.936  -2.883
  115    HZ2  B0I 101           HZ2      B0I  15  -0.431  -5.103  -1.008
  Start of MODEL   16
    1    HA1  H00   1           HA1      H00   1   4.617  -6.129   4.999
    2    HA2  H00   1           HA2      H00   1   4.101  -5.725   3.359
    3    HB1  H00   1           HB1      H00   1   2.844  -4.507   5.814
    4    HB2  H00   1           HB2      H00   1   2.254  -6.004   5.086
    5    HG1  H00   1           HG1      H00   1   2.205  -4.612   2.893
    6    HG2  H00   1           HG2      H00   1   2.228  -3.224   3.982
    7    H    THR   2           HN       THR   2   5.390  -4.260   2.462
    8    HA   THR   2           HA       THR   2   7.018  -2.502   4.060
    9    HB   THR   2           HB       THR   2   7.933  -1.733   1.930
   10    HG1  THR   2           HG1      THR   2   6.937  -2.925   0.003
   11   HG21  THR   2          HG21      THR   2   8.763  -3.878   2.772
   12   HG22  THR   2          HG22      THR   2   8.724  -3.874   1.008
   13   HG23  THR   2          HG23      THR   2   7.473  -4.722   1.916
   14    HA   PRO   3           HA       PRO   3   4.556   1.226   4.055
   15    HB2  PRO   3           HB2      PRO   3   6.786   2.586   2.616
   16    HB3  PRO   3           HB1      PRO   3   5.974   3.048   4.119
   17    HG2  PRO   3           HG2      PRO   3   8.411   1.993   4.177
   18    HG3  PRO   3           HG1      PRO   3   7.201   1.547   5.396
   19    HD2  PRO   3           HD2      PRO   3   8.157   0.012   3.020
   20    HD3  PRO   3           HD1      PRO   3   7.724  -0.571   4.641
   21    H    ARG   4           HN       ARG   4   6.270   0.382   1.108
   22    HA   ARG   4           HA       ARG   4   4.738   1.944  -0.703
   23    HB2  ARG   4           HB2      ARG   4   6.210  -0.628  -1.290
   24    HB3  ARG   4           HB1      ARG   4   5.767   0.619  -2.443
   25    HG2  ARG   4           HG2      ARG   4   7.309   2.174  -1.346
   26    HG3  ARG   4           HG1      ARG   4   7.749   0.902  -0.202
   27    HD2  ARG   4           HD2      ARG   4   8.552  -0.484  -2.054
   28    HD3  ARG   4           HD1      ARG   4   8.125   0.790  -3.192
   29    HE   ARG   4           HE       ARG   4   9.869   1.808  -1.222
   30   HH11  ARG   4          HH11      ARG   4   9.848  -0.278  -4.044
   31   HH12  ARG   4          HH12      ARG   4  11.515  -0.013  -4.420
   32   HH21  ARG   4          HH21      ARG   4  12.095   2.166  -1.718
   33   HH22  ARG   4          HH22      ARG   4  12.805   1.374  -3.078
   34    H    GLN   5           HN       GLN   5   4.628  -1.463   0.264
   35    HA   GLN   5           HA       GLN   5   2.380  -2.161  -1.304
   36    HB2  GLN   5           HB2      GLN   5   3.573  -3.400   1.168
   37    HB3  GLN   5           HB1      GLN   5   2.216  -4.107   0.297
   38    HG2  GLN   5           HG2      GLN   5   3.541  -4.444  -1.646
   39    HG3  GLN   5           HG1      GLN   5   4.868  -3.500  -0.972
   40   HE21  GLN   5          HE21      GLN   5   4.744  -6.269  -1.937
   41   HE22  GLN   5          HE22      GLN   5   5.319  -7.241  -0.621
   42    H    ALA   6           HN       ALA   6   2.728  -1.041   2.021
   43    HA   ALA   6           HA       ALA   6   0.044  -1.284   2.798
   44    HB1  ALA   6           HB1      ALA   6   1.852  -0.866   4.390
   45    HB2  ALA   6           HB2      ALA   6   0.589   0.357   4.536
   46    HB3  ALA   6           HB3      ALA   6   2.095   0.739   3.702
   47    H    ARG   7           HN       ARG   7   1.797   1.349   1.196
   48    HA   ARG   7           HA       ARG   7  -0.218   3.255   1.143
   49    HB2  ARG   7           HB2      ARG   7   2.156   3.618   0.592
   50    HB3  ARG   7           HB1      ARG   7   1.934   2.687  -0.885
   51    HG2  ARG   7           HG2      ARG   7   0.303   4.286  -1.652
   52    HG3  ARG   7           HG1      ARG   7   0.529   5.164  -0.146
   53    HD2  ARG   7           HD2      ARG   7   1.832   6.267  -1.847
   54    HD3  ARG   7           HD1      ARG   7   2.940   5.436  -0.753
   55    HE   ARG   7           HE       ARG   7   2.080   4.162  -3.250
   56   HH11  ARG   7          HH11      ARG   7   4.660   5.432  -1.237
   57   HH12  ARG   7          HH12      ARG   7   5.917   4.783  -2.232
   58   HH21  ARG   7          HH21      ARG   7   3.740   3.316  -4.559
   59   HH22  ARG   7          HH22      ARG   7   5.394   3.587  -4.130
   60    H    ALA   8           HN       ALA   8   0.781   0.921  -1.250
   61    HA   ALA   8           HA       ALA   8  -1.211   1.326  -3.162
   62    HB1  ALA   8           HB1      ALA   8   0.218  -1.257  -2.537
   63    HB2  ALA   8           HB2      ALA   8   0.829   0.028  -3.579
   64    HB3  ALA   8           HB3      ALA   8  -0.618  -0.868  -4.039
   65    H    ALA   9           HN       ALA   9  -1.157  -0.859  -0.375
   66    HA   ALA   9           HA       ALA   9  -3.610  -2.139  -0.838
   67    HB1  ALA   9           HB1      ALA   9  -3.548  -2.718   1.539
   68    HB2  ALA   9           HB2      ALA   9  -2.269  -1.532   1.798
   69    HB3  ALA   9           HB3      ALA   9  -1.969  -2.945   0.788
   70    H    ARG  10           HN       ARG  10  -2.805   0.844   0.839
   71    HA   ARG  10           HA       ARG  10  -5.461   1.357   1.729
   72    HB2  ARG  10           HB2      ARG  10  -3.028   3.108   1.468
   73    HB3  ARG  10           HB1      ARG  10  -4.555   3.684   2.115
   74    HG2  ARG  10           HG2      ARG  10  -4.436   2.028   3.900
   75    HG3  ARG  10           HG1      ARG  10  -2.912   1.428   3.242
   76    HD2  ARG  10           HD2      ARG  10  -2.557   2.952   5.128
   77    HD3  ARG  10           HD1      ARG  10  -1.870   3.583   3.632
   78    HE   ARG  10           HE       ARG  10  -4.481   4.574   3.938
   79   HH11  ARG  10          HH11      ARG  10  -1.315   4.888   5.386
   80   HH12  ARG  10          HH12      ARG  10  -1.556   6.525   5.887
   81   HH21  ARG  10          HH21      ARG  10  -4.812   6.752   4.584
   82   HH22  ARG  10          HH22      ARG  10  -3.560   7.587   5.433
   83    H    ALA  11           HN       ALA  11  -3.599   2.227  -1.109
   84    HA   ALA  11           HA       ALA  11  -5.433   4.100  -2.170
   85    HB1  ALA  11           HB1      ALA  11  -4.227   3.824  -4.264
   86    HB2  ALA  11           HB2      ALA  11  -3.445   2.372  -3.637
   87    HB3  ALA  11           HB3      ALA  11  -3.101   3.942  -2.911
   88    H    ALA  12           HN       ALA  12  -5.147   0.611  -2.408
   89    HA   ALA  12           HA       ALA  12  -7.249   0.401  -4.371
   90    HB1  ALA  12           HB1      ALA  12  -6.931  -2.004  -4.167
   91    HB2  ALA  12           HB2      ALA  12  -5.870  -1.756  -2.780
   92    HB3  ALA  12           HB3      ALA  12  -5.385  -1.181  -4.376
   93    H    DAL  13           HN       DAL  13  -6.967   0.279  -0.923
   94    HA   DAL  13           HA       DAL  13  -9.870   0.061  -0.740
   95    HB1  DAL  13           HB1      DAL  13  -8.787   1.949   0.383
   96    HB2  DAL  13           HB2      DAL  13  -7.868   0.823   1.381
   97    HB3  DAL  13           HB3      DAL  13  -9.623   0.901   1.529
   98    H    CYS  14           HN       CYS  14  -6.951  -1.459   0.548
   99    HA   CYS  14           HA       CYS  14  -8.643  -3.579   1.673
  100    HB2  CYS  14           HB2      CYS  14  -6.385  -4.944   0.988
  101    HB3  CYS  14           HB1      CYS  14  -7.846  -4.887   0.013
  102    HN1  NH2  15           HN1      NH2  15  -5.141  -3.526   1.660
  103    HN2  NH2  15           HN2      NH2  15  -5.075  -3.817   3.358
  104   HB11  B0I 101          HB12      B0I  15  -1.117  -6.400   3.778
  105    H1   B0I 101          HB11      B0I  15   0.581  -6.775   4.038
  106    HD1  B0I 101           HD1      B0I  15  -1.602  -5.113   1.602
  107    HD2  B0I 101           HD2      B0I  15   1.859  -7.458   2.246
  108    HE2  B0I 101           HE2      B0I  15   2.175  -7.697  -0.182
  109    HZ1  B0I 101           HZ1      B0I  15   0.586  -6.633  -1.738
  110    H2   B0I 101          HB21      B0I  15  -5.403  -5.852  -0.888
  111   HB21  B0I 101          HB22      B0I  15  -5.679  -5.285  -2.536
  112    HD3  B0I 101           HD3      B0I  15  -3.233  -6.035  -0.086
  113    HD4  B0I 101           HD4      B0I  15  -4.003  -3.537  -3.445
  114    HE4  B0I 101           HE4      B0I  15  -1.588  -3.169  -3.728
  115    HZ2  B0I 101           HZ2      B0I  15   0.009  -4.234  -2.188
  Start of MODEL   17
    1    HA1  H00   1           HA1      H00   1   4.378  -6.228   4.975
    2    HA2  H00   1           HA2      H00   1   3.938  -5.787   3.323
    3    HB1  H00   1           HB1      H00   1   2.696  -4.517   5.756
    4    HB2  H00   1           HB2      H00   1   2.024  -5.948   4.970
    5    HG1  H00   1           HG1      H00   1   2.163  -4.497   2.814
    6    HG2  H00   1           HG2      H00   1   2.235  -3.145   3.947
    7    H    THR   2           HN       THR   2   5.324  -4.395   2.468
    8    HA   THR   2           HA       THR   2   6.952  -2.713   4.149
    9    HB   THR   2           HB       THR   2   7.895  -1.967   1.907
   10    HG1  THR   2           HG1      THR   2   7.086  -4.055   0.483
   11   HG21  THR   2          HG21      THR   2   8.943  -3.714   3.290
   12   HG22  THR   2          HG22      THR   2   9.138  -4.036   1.569
   13   HG23  THR   2          HG23      THR   2   7.935  -4.928   2.502
   14    HA   PRO   3           HA       PRO   3   4.863   1.173   4.046
   15    HB2  PRO   3           HB2      PRO   3   7.126   2.219   2.390
   16    HB3  PRO   3           HB1      PRO   3   6.377   2.915   3.836
   17    HG2  PRO   3           HG2      PRO   3   8.709   1.671   4.019
   18    HG3  PRO   3           HG1      PRO   3   7.469   1.445   5.268
   19    HD2  PRO   3           HD2      PRO   3   8.333  -0.403   3.099
   20    HD3  PRO   3           HD1      PRO   3   7.764  -0.773   4.738
   21    H    ARG   4           HN       ARG   4   6.393   0.400   0.904
   22    HA   ARG   4           HA       ARG   4   4.643   1.972  -0.666
   23    HB2  ARG   4           HB2      ARG   4   6.145  -0.524  -1.467
   24    HB3  ARG   4           HB1      ARG   4   5.401   0.620  -2.576
   25    HG2  ARG   4           HG2      ARG   4   6.904   2.373  -1.693
   26    HG3  ARG   4           HG1      ARG   4   7.674   1.124  -0.707
   27    HD2  ARG   4           HD2      ARG   4   8.950   1.532  -2.753
   28    HD3  ARG   4           HD1      ARG   4   8.292  -0.102  -2.724
   29    HE   ARG   4           HE       ARG   4   6.405   1.205  -4.106
   30   HH11  ARG   4          HH11      ARG   4   9.903   1.246  -4.414
   31   HH12  ARG   4          HH12      ARG   4   9.878   1.488  -6.126
   32   HH21  ARG   4          HH21      ARG   4   6.376   1.530  -6.388
   33   HH22  ARG   4          HH22      ARG   4   7.871   1.639  -7.253
   34    H    GLN   5           HN       GLN   5   4.620  -1.459   0.125
   35    HA   GLN   5           HA       GLN   5   2.274  -2.137  -1.264
   36    HB2  GLN   5           HB2      GLN   5   3.533  -3.374   1.184
   37    HB3  GLN   5           HB1      GLN   5   2.161  -4.079   0.332
   38    HG2  GLN   5           HG2      GLN   5   3.492  -4.331  -1.667
   39    HG3  GLN   5           HG1      GLN   5   4.856  -3.528  -0.890
   40   HE21  GLN   5          HE21      GLN   5   4.607  -6.211  -2.039
   41   HE22  GLN   5          HE22      GLN   5   5.054  -7.310  -0.776
   42    H    ALA   6           HN       ALA   6   2.765  -0.910   1.999
   43    HA   ALA   6           HA       ALA   6   0.096  -1.187   2.881
   44    HB1  ALA   6           HB1      ALA   6   2.186   0.792   3.784
   45    HB2  ALA   6           HB2      ALA   6   1.981  -0.845   4.408
   46    HB3  ALA   6           HB3      ALA   6   0.716   0.359   4.658
   47    H    ARG   7           HN       ARG   7   1.794   1.399   1.193
   48    HA   ARG   7           HA       ARG   7  -0.345   3.286   1.298
   49    HB2  ARG   7           HB2      ARG   7   1.925   3.087  -0.691
   50    HB3  ARG   7           HB1      ARG   7   0.899   4.492  -0.434
   51    HG2  ARG   7           HG2      ARG   7   1.782   4.824   1.755
   52    HG3  ARG   7           HG1      ARG   7   2.644   3.283   1.675
   53    HD2  ARG   7           HD2      ARG   7   3.959   4.181  -0.227
   54    HD3  ARG   7           HD1      ARG   7   3.168   5.738   0.007
   55    HE   ARG   7           HE       ARG   7   4.194   5.185   2.447
   56   HH11  ARG   7          HH11      ARG   7   5.570   5.288  -0.768
   57   HH12  ARG   7          HH12      ARG   7   7.142   5.756  -0.225
   58   HH21  ARG   7          HH21      ARG   7   6.292   5.816   3.175
   59   HH22  ARG   7          HH22      ARG   7   7.550   6.060   2.021
   60    H    ALA   8           HN       ALA   8   0.753   0.916  -1.054
   61    HA   ALA   8           HA       ALA   8  -1.143   1.461  -3.065
   62    HB1  ALA   8           HB1      ALA   8  -0.587  -0.751  -3.944
   63    HB2  ALA   8           HB2      ALA   8   0.218  -1.160  -2.429
   64    HB3  ALA   8           HB3      ALA   8   0.869   0.117  -3.456
   65    H    ALA   9           HN       ALA   9  -1.212  -0.668  -0.257
   66    HA   ALA   9           HA       ALA   9  -3.663  -1.934  -0.760
   67    HB1  ALA   9           HB1      ALA   9  -3.679  -2.461   1.623
   68    HB2  ALA   9           HB2      ALA   9  -2.416  -1.265   1.908
   69    HB3  ALA   9           HB3      ALA   9  -2.070  -2.700   0.942
   70    H    ARG  10           HN       ARG  10  -2.878   1.089   0.907
   71    HA   ARG  10           HA       ARG  10  -5.489   1.702   1.742
   72    HB2  ARG  10           HB2      ARG  10  -3.507   2.811   2.654
   73    HB3  ARG  10           HB1      ARG  10  -3.187   3.547   1.089
   74    HG2  ARG  10           HG2      ARG  10  -5.361   4.720   1.254
   75    HG3  ARG  10           HG1      ARG  10  -5.542   4.042   2.873
   76    HD2  ARG  10           HD2      ARG  10  -3.241   5.779   1.997
   77    HD3  ARG  10           HD1      ARG  10  -4.670   6.374   2.836
   78    HE   ARG  10           HE       ARG  10  -3.350   4.235   4.221
   79   HH11  ARG  10          HH11      ARG  10  -3.335   7.699   3.658
   80   HH12  ARG  10          HH12      ARG  10  -2.607   8.072   5.184
   81   HH21  ARG  10          HH21      ARG  10  -2.380   4.729   6.235
   82   HH22  ARG  10          HH22      ARG  10  -2.054   6.379   6.646
   83    H    ALA  11           HN       ALA  11  -3.727   2.322  -1.233
   84    HA   ALA  11           HA       ALA  11  -5.610   4.089  -2.385
   85    HB1  ALA  11           HB1      ALA  11  -3.585   2.319  -3.751
   86    HB2  ALA  11           HB2      ALA  11  -3.292   3.952  -3.155
   87    HB3  ALA  11           HB3      ALA  11  -4.425   3.687  -4.481
   88    H    ALA  12           HN       ALA  12  -5.169   0.583  -2.599
   89    HA   ALA  12           HA       ALA  12  -7.323   0.260  -4.478
   90    HB1  ALA  12           HB1      ALA  12  -5.388  -1.239  -4.487
   91    HB2  ALA  12           HB2      ALA  12  -6.898  -2.122  -4.263
   92    HB3  ALA  12           HB3      ALA  12  -5.839  -1.824  -2.885
   93    H    DAL  13           HN       DAL  13  -6.944   0.038  -1.016
   94    HA   DAL  13           HA       DAL  13  -9.848  -0.286  -0.781
   95    HB1  DAL  13           HB1      DAL  13  -9.612   0.624   1.460
   96    HB2  DAL  13           HB2      DAL  13  -8.854   1.695   0.280
   97    HB3  DAL  13           HB3      DAL  13  -7.857   0.644   1.285
   98    H    CYS  14           HN       CYS  14  -6.849  -1.423   0.753
   99    HA   CYS  14           HA       CYS  14  -8.305  -3.811   1.652
  100    HB2  CYS  14           HB2      CYS  14  -5.507  -4.311   1.027
  101    HB3  CYS  14           HB1      CYS  14  -6.939  -5.208   0.548
  102    HN1  NH2  15           HN1      NH2  15  -8.429  -2.848   3.702
  103    HN2  NH2  15           HN2      NH2  15  -7.084  -2.974   4.773
  104   HB11  B0I 101          HB12      B0I  15  -1.288  -6.104   3.603
  105    H1   B0I 101          HB11      B0I  15   0.387  -6.570   3.875
  106    HD1  B0I 101           HD1      B0I  15  -1.746  -4.854   1.450
  107    HD2  B0I 101           HD2      B0I  15   1.702  -7.209   2.090
  108    HE2  B0I 101           HE2      B0I  15   2.026  -7.428  -0.340
  109    HZ1  B0I 101           HZ1      B0I  15   0.446  -6.343  -1.887
  110    H2   B0I 101          HB21      B0I  15  -5.474  -5.833  -1.253
  111   HB21  B0I 101          HB22      B0I  15  -5.740  -5.120  -2.845
  112    HD3  B0I 101           HD3      B0I  15  -3.345  -5.908  -0.347
  113    HD4  B0I 101           HD4      B0I  15  -4.139  -3.263  -3.581
  114    HE4  B0I 101           HE4      B0I  15  -1.740  -2.740  -3.748
  115    HZ2  B0I 101           HZ2      B0I  15  -0.141  -3.806  -2.210
  Start of MODEL   18
    1    HA1  H00   1           HA1      H00   1   3.812  -6.258   3.200
    2    HA2  H00   1           HA2      H00   1   3.354  -5.645   1.608
    3    HB1  H00   1           HB1      H00   1   2.142  -4.783   4.237
    4    HB2  H00   1           HB2      H00   1   1.404  -5.907   3.092
    5    HG1  H00   1           HG1      H00   1   1.408  -4.136   1.385
    6    HG2  H00   1           HG2      H00   1   2.077  -3.015   2.573
    7    H    THR   2           HN       THR   2   4.585  -4.050   0.858
    8    HA   THR   2           HA       THR   2   6.429  -2.690   2.599
    9    HB   THR   2           HB       THR   2   7.152  -1.517   0.519
   10    HG1  THR   2           HG1      THR   2   5.896  -2.986  -1.302
   11   HG21  THR   2          HG21      THR   2   8.030  -3.497  -0.639
   12   HG22  THR   2          HG22      THR   2   6.882  -4.513   0.231
   13   HG23  THR   2          HG23      THR   2   8.158  -3.674   1.111
   14    HA   PRO   3           HA       PRO   3   4.194   1.028   3.547
   15    HB2  PRO   3           HB2      PRO   3   6.433   2.558   2.302
   16    HB3  PRO   3           HB1      PRO   3   5.721   2.720   3.915
   17    HG2  PRO   3           HG2      PRO   3   8.081   1.551   3.619
   18    HG3  PRO   3           HG1      PRO   3   6.888   0.892   4.756
   19    HD2  PRO   3           HD2      PRO   3   7.649  -0.077   2.031
   20    HD3  PRO   3           HD1      PRO   3   7.274  -1.009   3.496
   21    H    ARG   4           HN       ARG   4   5.678   0.802   0.371
   22    HA   ARG   4           HA       ARG   4   4.145   2.789  -0.937
   23    HB2  ARG   4           HB2      ARG   4   5.355   0.304  -2.158
   24    HB3  ARG   4           HB1      ARG   4   4.927   1.789  -2.996
   25    HG2  ARG   4           HG2      ARG   4   6.643   2.991  -1.773
   26    HG3  ARG   4           HG1      ARG   4   7.044   1.517  -0.889
   27    HD2  ARG   4           HD2      ARG   4   7.629   0.434  -3.022
   28    HD3  ARG   4           HD1      ARG   4   7.301   1.949  -3.860
   29    HE   ARG   4           HE       ARG   4   9.120   2.548  -1.883
   30   HH11  ARG   4          HH11      ARG   4   9.034   0.451  -4.694
   31   HH12  ARG   4          HH12      ARG   4  10.734   0.563  -4.986
   32   HH21  ARG   4          HH21      ARG   4  11.377   2.684  -2.261
   33   HH22  ARG   4          HH22      ARG   4  12.067   1.834  -3.597
   34    H    GLN   5           HN       GLN   5   3.831  -0.732  -0.728
   35    HA   GLN   5           HA       GLN   5   1.435  -0.940  -2.187
   36    HB2  GLN   5           HB2      GLN   5   2.690  -2.727  -0.109
   37    HB3  GLN   5           HB1      GLN   5   1.215  -3.154  -0.972
   38    HG2  GLN   5           HG2      GLN   5   2.366  -3.177  -3.061
   39    HG3  GLN   5           HG1      GLN   5   3.823  -2.514  -2.322
   40   HE21  GLN   5          HE21      GLN   5   3.384  -4.991  -3.819
   41   HE22  GLN   5          HE22      GLN   5   3.920  -6.271  -2.782
   42    H    ALA   6           HN       ALA   6   2.093  -0.505   1.247
   43    HA   ALA   6           HA       ALA   6  -0.548  -0.768   2.172
   44    HB1  ALA   6           HB1      ALA   6   0.233   0.404   4.172
   45    HB2  ALA   6           HB2      ALA   6   1.702   0.882   3.323
   46    HB3  ALA   6           HB3      ALA   6   1.391  -0.822   3.658
   47    H    ARG   7           HN       ARG   7   1.296   2.086   1.118
   48    HA   ARG   7           HA       ARG   7  -0.671   3.992   1.589
   49    HB2  ARG   7           HB2      ARG   7   1.613   4.618   1.249
   50    HB3  ARG   7           HB1      ARG   7   1.643   3.852  -0.334
   51    HG2  ARG   7           HG2      ARG   7   0.180   5.473  -1.230
   52    HG3  ARG   7           HG1      ARG   7  -0.121   6.102   0.386
   53    HD2  ARG   7           HD2      ARG   7   1.424   7.559  -0.856
   54    HD3  ARG   7           HD1      ARG   7   2.220   6.831   0.538
   55    HE   ARG   7           HE       ARG   7   2.591   5.244  -1.778
   56   HH11  ARG   7          HH11      ARG   7   3.693   8.242  -0.317
   57   HH12  ARG   7          HH12      ARG   7   5.242   8.195  -1.076
   58   HH21  ARG   7          HH21      ARG   7   4.631   5.183  -2.790
   59   HH22  ARG   7          HH22      ARG   7   5.783   6.438  -2.493
   60    H    ALA   8           HN       ALA   8   0.259   2.248  -1.318
   61    HA   ALA   8           HA       ALA   8  -1.652   3.298  -3.060
   62    HB1  ALA   8           HB1      ALA   8   0.316   2.046  -3.806
   63    HB2  ALA   8           HB2      ALA   8  -1.172   1.395  -4.496
   64    HB3  ALA   8           HB3      ALA   8  -0.384   0.564  -3.154
   65    H    ALA   9           HN       ALA   9  -1.835   0.548  -0.846
   66    HA   ALA   9           HA       ALA   9  -4.287  -0.505  -1.717
   67    HB1  ALA   9           HB1      ALA   9  -3.174  -0.504   1.087
   68    HB2  ALA   9           HB2      ALA   9  -2.764  -1.663  -0.175
   69    HB3  ALA   9           HB3      ALA   9  -4.411  -1.591   0.452
   70    H    ARG  10           HN       ARG  10  -3.545   1.937   0.721
   71    HA   ARG  10           HA       ARG  10  -6.236   2.414   1.476
   72    HB2  ARG  10           HB2      ARG  10  -3.796   4.183   1.702
   73    HB3  ARG  10           HB1      ARG  10  -5.341   4.504   2.475
   74    HG2  ARG  10           HG2      ARG  10  -5.123   2.480   3.798
   75    HG3  ARG  10           HG1      ARG  10  -3.597   2.105   2.992
   76    HD2  ARG  10           HD2      ARG  10  -2.623   4.164   3.874
   77    HD3  ARG  10           HD1      ARG  10  -4.149   4.556   4.662
   78    HE   ARG  10           HE       ARG  10  -3.313   2.019   5.515
   79   HH11  ARG  10          HH11      ARG  10  -2.423   5.396   5.851
   80   HH12  ARG  10          HH12      ARG  10  -1.661   5.185   7.388
   81   HH21  ARG  10          HH21      ARG  10  -2.316   1.730   7.561
   82   HH22  ARG  10          HH22      ARG  10  -1.603   3.084   8.371
   83    H    ALA  11           HN       ALA  11  -4.074   3.845  -0.896
   84    HA   ALA  11           HA       ALA  11  -5.776   5.958  -1.679
   85    HB1  ALA  11           HB1      ALA  11  -3.369   5.943  -2.138
   86    HB2  ALA  11           HB2      ALA  11  -4.312   6.184  -3.609
   87    HB3  ALA  11           HB3      ALA  11  -3.597   4.609  -3.268
   88    H    ALA  12           HN       ALA  12  -5.395   2.642  -2.852
   89    HA   ALA  12           HA       ALA  12  -7.209   3.020  -5.050
   90    HB1  ALA  12           HB1      ALA  12  -5.379   1.391  -5.167
   91    HB2  ALA  12           HB2      ALA  12  -6.948   0.630  -5.427
   92    HB3  ALA  12           HB3      ALA  12  -6.132   0.460  -3.873
   93    H    DAL  13           HN       DAL  13  -7.407   1.668  -1.812
   94    HA   DAL  13           HA       DAL  13 -10.331   1.649  -2.106
   95    HB1  DAL  13           HB1      DAL  13 -10.437   1.876   0.314
   96    HB2  DAL  13           HB2      DAL  13  -9.454   3.161  -0.388
   97    HB3  DAL  13           HB3      DAL  13  -8.678   1.794   0.412
   98    H    CYS  14           HN       CYS  14  -7.583  -0.221  -0.948
   99    HA   CYS  14           HA       CYS  14  -9.282  -2.608  -1.005
  100    HB2  CYS  14           HB2      CYS  14  -6.438  -3.100  -0.710
  101    HB3  CYS  14           HB1      CYS  14  -7.555  -3.694  -1.929
  102    HN1  NH2  15           HN1      NH2  15 -10.055  -1.837   1.286
  103    HN2  NH2  15           HN2      NH2  15  -9.442  -3.217   2.125
  104   HB11  B0I 101          HB12      B0I  15  -2.214  -4.696   2.522
  105    H1   B0I 101          HB11      B0I  15  -0.862  -5.769   2.855
  106    HD1  B0I 101           HD1      B0I  15  -2.179  -3.458   0.346
  107    HD2  B0I 101           HD2      B0I  15   0.294  -6.795   1.113
  108    HE2  B0I 101           HE2      B0I  15   0.600  -7.152  -1.301
  109    HZ1  B0I 101           HZ1      B0I  15  -0.496  -5.644  -2.910
  110    H2   B0I 101          HB21      B0I  15  -5.827  -3.934  -3.345
  111   HB21  B0I 101          HB22      B0I  15  -5.702  -2.774  -4.670
  112    HD3  B0I 101           HD3      B0I  15  -3.971  -4.424  -1.961
  113    HD4  B0I 101           HD4      B0I  15  -3.754  -1.254  -4.788
  114    HE4  B0I 101           HE4      B0I  15  -1.331  -1.089  -4.428
  115    HZ2  B0I 101           HZ2      B0I  15  -0.219  -2.597  -2.825
  Start of MODEL   19
    1    HA1  H00   1           HA1      H00   1   3.485  -6.112   3.277
    2    HA2  H00   1           HA2      H00   1   3.052  -5.466   1.692
    3    HB1  H00   1           HB1      H00   1   1.925  -4.428   4.294
    4    HB2  H00   1           HB2      H00   1   1.136  -5.668   3.316
    5    HG1  H00   1           HG1      H00   1   1.779  -3.578   1.555
    6    HG2  H00   1           HG2      H00   1   1.117  -2.812   3.000
    7    H    THR   2           HN       THR   2   4.484  -4.055   0.952
    8    HA   THR   2           HA       THR   2   6.345  -2.746   2.713
    9    HB   THR   2           HB       THR   2   7.195  -1.696   0.599
   10    HG1  THR   2           HG1      THR   2   5.504  -3.414  -0.850
   11   HG21  THR   2          HG21      THR   2   6.823  -4.694   0.497
   12   HG22  THR   2          HG22      THR   2   8.098  -3.842   1.366
   13   HG23  THR   2          HG23      THR   2   8.037  -3.780  -0.396
   14    HA   PRO   3           HA       PRO   3   4.455   1.194   3.487
   15    HB2  PRO   3           HB2      PRO   3   6.713   2.438   1.972
   16    HB3  PRO   3           HB1      PRO   3   6.085   2.837   3.577
   17    HG2  PRO   3           HG2      PRO   3   8.343   1.467   3.332
   18    HG3  PRO   3           HG1      PRO   3   7.164   1.047   4.589
   19    HD2  PRO   3           HD2      PRO   3   7.771  -0.336   2.020
   20    HD3  PRO   3           HD1      PRO   3   7.303  -1.021   3.588
   21    H    ARG   4           HN       ARG   4   5.874   0.913   0.244
   22    HA   ARG   4           HA       ARG   4   4.262   2.823  -1.048
   23    HB2  ARG   4           HB2      ARG   4   5.544   0.330  -2.179
   24    HB3  ARG   4           HB1      ARG   4   4.906   1.662  -3.131
   25    HG2  ARG   4           HG2      ARG   4   6.569   3.156  -2.231
   26    HG3  ARG   4           HG1      ARG   4   7.132   1.876  -1.146
   27    HD2  ARG   4           HD2      ARG   4   7.981   0.592  -2.937
   28    HD3  ARG   4           HD1      ARG   4   7.125   1.558  -4.133
   29    HE   ARG   4           HE       ARG   4   8.678   3.359  -3.687
   30   HH11  ARG   4          HH11      ARG   4   9.612   0.237  -2.382
   31   HH12  ARG   4          HH12      ARG   4  11.303   0.590  -2.420
   32   HH21  ARG   4          HH21      ARG   4  10.918   3.818  -3.740
   33   HH22  ARG   4          HH22      ARG   4  12.047   2.633  -3.175
   34    H    GLN   5           HN       GLN   5   3.963  -0.677  -0.808
   35    HA   GLN   5           HA       GLN   5   1.537  -0.918  -2.229
   36    HB2  GLN   5           HB2      GLN   5   2.825  -2.686  -0.160
   37    HB3  GLN   5           HB1      GLN   5   1.347  -3.125  -1.009
   38    HG2  GLN   5           HG2      GLN   5   2.470  -3.207  -3.092
   39    HG3  GLN   5           HG1      GLN   5   3.915  -2.457  -2.414
   40   HE21  GLN   5          HE21      GLN   5   3.563  -5.017  -3.792
   41   HE22  GLN   5          HE22      GLN   5   4.162  -6.221  -2.702
   42    H    ALA   6           HN       ALA   6   2.213  -0.495   1.213
   43    HA   ALA   6           HA       ALA   6  -0.395  -0.914   2.164
   44    HB1  ALA   6           HB1      ALA   6   0.342   0.167   4.201
   45    HB2  ALA   6           HB2      ALA   6   1.736   0.850   3.364
   46    HB3  ALA   6           HB3      ALA   6   1.613  -0.894   3.593
   47    H    ARG   7           HN       ARG   7   1.250   2.070   1.178
   48    HA   ARG   7           HA       ARG   7  -0.990   3.742   1.772
   49    HB2  ARG   7           HB2      ARG   7   1.317   4.291  -0.094
   50    HB3  ARG   7           HB1      ARG   7   0.224   5.485   0.590
   51    HG2  ARG   7           HG2      ARG   7   1.058   5.000   2.819
   52    HG3  ARG   7           HG1      ARG   7   2.113   3.750   2.149
   53    HD2  ARG   7           HD2      ARG   7   2.238   6.714   1.630
   54    HD3  ARG   7           HD1      ARG   7   3.410   5.738   2.516
   55    HE   ARG   7           HE       ARG   7   2.898   5.132  -0.301
   56   HH11  ARG   7          HH11      ARG   7   5.088   6.365   2.148
   57   HH12  ARG   7          HH12      ARG   7   6.468   6.329   1.109
   58   HH21  ARG   7          HH21      ARG   7   4.700   5.098  -1.675
   59   HH22  ARG   7          HH22      ARG   7   6.249   5.604  -1.087
   60    H    ALA   8           HN       ALA   8   0.286   2.246  -1.147
   61    HA   ALA   8           HA       ALA   8  -1.496   3.351  -2.997
   62    HB1  ALA   8           HB1      ALA   8   0.535   2.137  -3.641
   63    HB2  ALA   8           HB2      ALA   8  -0.890   1.497  -4.460
   64    HB3  ALA   8           HB3      ALA   8  -0.196   0.629  -3.090
   65    H    ALA   9           HN       ALA   9  -1.776   0.459  -0.983
   66    HA   ALA   9           HA       ALA   9  -4.177  -0.522  -2.048
   67    HB1  ALA   9           HB1      ALA   9  -2.757  -1.832  -0.553
   68    HB2  ALA   9           HB2      ALA   9  -4.405  -1.738   0.071
   69    HB3  ALA   9           HB3      ALA   9  -3.137  -0.739   0.779
   70    H    ARG  10           HN       ARG  10  -3.556   1.730   0.604
   71    HA   ARG  10           HA       ARG  10  -6.266   2.098   1.322
   72    HB2  ARG  10           HB2      ARG  10  -3.906   3.942   1.724
   73    HB3  ARG  10           HB1      ARG  10  -5.461   4.091   2.528
   74    HG2  ARG  10           HG2      ARG  10  -3.534   1.793   2.811
   75    HG3  ARG  10           HG1      ARG  10  -3.814   3.069   3.994
   76    HD2  ARG  10           HD2      ARG  10  -6.176   2.346   4.136
   77    HD3  ARG  10           HD1      ARG  10  -5.802   1.011   3.049
   78    HE   ARG  10           HE       ARG  10  -4.436   1.321   5.638
   79   HH11  ARG  10          HH11      ARG  10  -6.287  -0.635   3.375
   80   HH12  ARG  10          HH12      ARG  10  -6.218  -2.051   4.360
   81   HH21  ARG  10          HH21      ARG  10  -4.362  -0.568   6.941
   82   HH22  ARG  10          HH22      ARG  10  -5.128  -2.020   6.383
   83    H    ALA  11           HN       ALA  11  -4.106   3.797  -0.880
   84    HA   ALA  11           HA       ALA  11  -5.888   5.889  -1.544
   85    HB1  ALA  11           HB1      ALA  11  -3.615   4.756  -3.169
   86    HB2  ALA  11           HB2      ALA  11  -3.472   6.012  -1.940
   87    HB3  ALA  11           HB3      ALA  11  -4.391   6.320  -3.415
   88    H    ALA  12           HN       ALA  12  -5.568   2.611  -2.676
   89    HA   ALA  12           HA       ALA  12  -7.224   3.046  -5.004
   90    HB1  ALA  12           HB1      ALA  12  -6.247   0.461  -3.800
   91    HB2  ALA  12           HB2      ALA  12  -5.417   1.387  -5.048
   92    HB3  ALA  12           HB3      ALA  12  -6.986   0.658  -5.388
   93    H    DAL  13           HN       DAL  13  -7.584   1.690  -1.776
   94    HA   DAL  13           HA       DAL  13 -10.474   1.435  -2.302
   95    HB1  DAL  13           HB1      DAL  13 -10.903   2.146  -0.012
   96    HB2  DAL  13           HB2      DAL  13  -9.998   3.376  -0.893
   97    HB3  DAL  13           HB3      DAL  13  -9.172   2.333   0.265
   98    H    CYS  14           HN       CYS  14  -7.658  -0.137  -1.387
   99    HA   CYS  14           HA       CYS  14  -9.130  -2.531  -0.729
  100    HB2  CYS  14           HB2      CYS  14  -6.195  -2.592  -0.571
  101    HB3  CYS  14           HB1      CYS  14  -7.298  -3.657  -1.428
  102    HN1  NH2  15           HN1      NH2  15  -8.827  -2.599   2.667
  103    HN2  NH2  15           HN2      NH2  15  -9.927  -2.230   1.391
  104   HB11  B0I 101          HB12      B0I  15  -0.973  -6.426   1.376
  105    H1   B0I 101          HB11      B0I  15   0.753  -6.072   1.319
  106    HD1  B0I 101           HD1      B0I  15  -1.701  -4.048  -0.417
  107    HD2  B0I 101           HD2      B0I  15   1.147  -7.164  -0.765
  108    HE2  B0I 101           HE2      B0I  15   1.058  -6.994  -3.214
  109    HZ1  B0I 101           HZ1      B0I  15  -0.423  -5.340  -4.277
  110    H2   B0I 101          HB21      B0I  15  -5.901  -4.098  -3.076
  111   HB21  B0I 101          HB22      B0I  15  -6.039  -3.253  -4.620
  112    HD3  B0I 101           HD3      B0I  15  -3.773  -4.736  -2.533
  113    HD4  B0I 101           HD4      B0I  15  -4.329  -1.114  -4.692
  114    HE4  B0I 101           HE4      B0I  15  -1.894  -0.748  -4.712
  115    HZ2  B0I 101           HZ2      B0I  15  -0.397  -2.383  -3.638
  Start of MODEL   20
    1    HA1  H00   1           HA1      H00   1   3.667  -6.324   3.135
    2    HA2  H00   1           HA2      H00   1   3.430  -5.683   1.506
    3    HB1  H00   1           HB1      H00   1   1.899  -4.723   3.921
    4    HB2  H00   1           HB2      H00   1   1.320  -5.996   2.842
    5    HG1  H00   1           HG1      H00   1   1.517  -4.390   0.952
    6    HG2  H00   1           HG2      H00   1   1.907  -3.130   2.124
    7    H    THR   2           HN       THR   2   4.630  -3.983   0.941
    8    HA   THR   2           HA       THR   2   6.277  -2.704   2.944
    9    HB   THR   2           HB       THR   2   7.241  -1.478   0.973
   10    HG1  THR   2           HG1      THR   2   6.316  -3.009  -0.989
   11   HG21  THR   2          HG21      THR   2   8.235  -3.582   1.745
   12   HG22  THR   2          HG22      THR   2   8.345  -3.437  -0.010
   13   HG23  THR   2          HG23      THR   2   7.127  -4.487   0.714
   14    HA   PRO   3           HA       PRO   3   3.987   1.022   3.695
   15    HB2  PRO   3           HB2      PRO   3   6.372   2.505   2.675
   16    HB3  PRO   3           HB1      PRO   3   5.475   2.725   4.184
   17    HG2  PRO   3           HG2      PRO   3   7.824   1.503   4.210
   18    HG3  PRO   3           HG1      PRO   3   6.485   0.894   5.205
   19    HD2  PRO   3           HD2      PRO   3   7.582  -0.174   2.641
   20    HD3  PRO   3           HD1      PRO   3   6.954  -1.049   4.054
   21    H    ARG   4           HN       ARG   4   5.765   0.808   0.663
   22    HA   ARG   4           HA       ARG   4   4.389   2.826  -0.761
   23    HB2  ARG   4           HB2      ARG   4   5.634   0.312  -1.887
   24    HB3  ARG   4           HB1      ARG   4   5.308   1.803  -2.757
   25    HG2  ARG   4           HG2      ARG   4   6.974   2.968  -1.447
   26    HG3  ARG   4           HG1      ARG   4   7.247   1.513  -0.482
   27    HD2  ARG   4           HD2      ARG   4   7.747   1.803  -3.443
   28    HD3  ARG   4           HD1      ARG   4   8.980   1.774  -2.185
   29    HE   ARG   4           HE       ARG   4   7.225  -0.513  -2.832
   30   HH11  ARG   4          HH11      ARG   4  10.338   0.772  -1.825
   31   HH12  ARG   4          HH12      ARG   4  11.094  -0.779  -1.743
   32   HH21  ARG   4          HH21      ARG   4   8.232  -2.576  -2.709
   33   HH22  ARG   4          HH22      ARG   4   9.893  -2.690  -2.240
   34    H    GLN   5           HN       GLN   5   3.976  -0.690  -0.622
   35    HA   GLN   5           HA       GLN   5   1.710  -0.839  -2.293
   36    HB2  GLN   5           HB2      GLN   5   2.645  -2.686  -0.098
   37    HB3  GLN   5           HB1      GLN   5   1.366  -3.069  -1.244
   38    HG2  GLN   5           HG2      GLN   5   2.924  -2.994  -3.072
   39    HG3  GLN   5           HG1      GLN   5   4.211  -2.455  -1.993
   40   HE21  GLN   5          HE21      GLN   5   4.019  -4.817  -3.703
   41   HE22  GLN   5          HE22      GLN   5   4.258  -6.177  -2.657
   42    H    ALA   6           HN       ALA   6   2.074  -0.550   1.203
   43    HA   ALA   6           HA       ALA   6  -0.633  -0.794   1.898
   44    HB1  ALA   6           HB1      ALA   6   1.188  -0.940   3.529
   45    HB2  ALA   6           HB2      ALA   6  -0.010   0.262   4.009
   46    HB3  ALA   6           HB3      ALA   6   1.524   0.776   3.307
   47    H    ARG   7           HN       ARG   7   1.278   1.992   0.864
   48    HA   ARG   7           HA       ARG   7  -0.696   3.920   1.405
   49    HB2  ARG   7           HB2      ARG   7   1.664   4.488   1.208
   50    HB3  ARG   7           HB1      ARG   7   1.680   3.929  -0.459
   51    HG2  ARG   7           HG2      ARG   7   1.592   6.322  -0.421
   52    HG3  ARG   7           HG1      ARG   7   0.074   5.639  -1.021
   53    HD2  ARG   7           HD2      ARG   7  -0.270   7.528   0.560
   54    HD3  ARG   7           HD1      ARG   7  -1.009   6.016   1.088
   55    HE   ARG   7           HE       ARG   7   1.648   6.501   2.110
   56   HH11  ARG   7          HH11      ARG   7  -1.784   6.902   2.665
   57   HH12  ARG   7          HH12      ARG   7  -1.626   7.098   4.377
   58   HH21  ARG   7          HH21      ARG   7   1.878   6.734   4.382
   59   HH22  ARG   7          HH22      ARG   7   0.475   6.997   5.357
   60    H    ALA   8           HN       ALA   8   0.274   2.075  -1.448
   61    HA   ALA   8           HA       ALA   8  -1.526   3.271  -3.259
   62    HB1  ALA   8           HB1      ALA   8  -1.049   1.372  -4.701
   63    HB2  ALA   8           HB2      ALA   8  -0.332   0.501  -3.345
   64    HB3  ALA   8           HB3      ALA   8   0.435   1.967  -3.956
   65    H    ALA   9           HN       ALA   9  -1.799   0.554  -1.051
   66    HA   ALA   9           HA       ALA   9  -4.267  -0.453  -1.953
   67    HB1  ALA   9           HB1      ALA   9  -4.376  -1.616   0.167
   68    HB2  ALA   9           HB2      ALA   9  -3.140  -0.556   0.842
   69    HB3  ALA   9           HB3      ALA   9  -2.728  -1.673  -0.459
   70    H    ARG  10           HN       ARG  10  -3.451   1.915   0.556
   71    HA   ARG  10           HA       ARG  10  -6.126   2.391   1.362
   72    HB2  ARG  10           HB2      ARG  10  -3.668   4.127   1.626
   73    HB3  ARG  10           HB1      ARG  10  -5.207   4.466   2.399
   74    HG2  ARG  10           HG2      ARG  10  -5.023   2.328   3.620
   75    HG3  ARG  10           HG1      ARG  10  -3.431   2.088   2.897
   76    HD2  ARG  10           HD2      ARG  10  -2.682   4.202   3.914
   77    HD3  ARG  10           HD1      ARG  10  -4.262   4.379   4.674
   78    HE   ARG  10           HE       ARG  10  -2.787   1.936   5.253
   79   HH11  ARG  10          HH11      ARG  10  -3.776   5.131   6.322
   80   HH12  ARG  10          HH12      ARG  10  -3.370   4.849   7.977
   81   HH21  ARG  10          HH21      ARG  10  -2.254   1.553   7.449
   82   HH22  ARG  10          HH22      ARG  10  -2.492   2.803   8.623
   83    H    ALA  11           HN       ALA  11  -4.093   3.708  -1.145
   84    HA   ALA  11           HA       ALA  11  -5.665   5.963  -1.778
   85    HB1  ALA  11           HB1      ALA  11  -4.413   6.028  -3.855
   86    HB2  ALA  11           HB2      ALA  11  -3.836   4.384  -3.580
   87    HB3  ALA  11           HB3      ALA  11  -3.335   5.686  -2.501
   88    H    ALA  12           HN       ALA  12  -5.650   2.642  -2.999
   89    HA   ALA  12           HA       ALA  12  -7.772   3.180  -4.872
   90    HB1  ALA  12           HB1      ALA  12  -6.029   1.532  -5.379
   91    HB2  ALA  12           HB2      ALA  12  -7.639   0.813  -5.412
   92    HB3  ALA  12           HB3      ALA  12  -6.580   0.542  -4.027
   93    H    DAL  13           HN       DAL  13  -7.462   1.655  -1.712
   94    HA   DAL  13           HA       DAL  13 -10.400   1.672  -1.526
   95    HB1  DAL  13           HB1      DAL  13 -10.125   1.881   0.882
   96    HB2  DAL  13           HB2      DAL  13  -9.271   3.173   0.040
   97    HB3  DAL  13           HB3      DAL  13  -8.372   1.807   0.701
   98    H    CYS  14           HN       CYS  14  -7.538  -0.282  -1.141
   99    HA   CYS  14           HA       CYS  14  -9.272  -2.608  -0.701
  100    HB2  CYS  14           HB2      CYS  14  -6.611  -3.392  -1.314
  101    HB3  CYS  14           HB1      CYS  14  -8.061  -3.596  -2.288
  102    HN1  NH2  15           HN1      NH2  15  -9.433  -2.350   1.545
  103    HN2  NH2  15           HN2      NH2  15  -8.081  -2.058   2.570
  104   HB11  B0I 101          HB12      B0I  15  -2.197  -5.088   1.441
  105    H1   B0I 101          HB11      B0I  15  -0.725  -6.030   1.631
  106    HD1  B0I 101           HD1      B0I  15  -2.430  -3.622  -0.504
  107    HD2  B0I 101           HD2      B0I  15   0.754  -6.386  -0.173
  108    HE2  B0I 101           HE2      B0I  15   1.166  -6.233  -2.592
  109    HZ1  B0I 101           HZ1      B0I  15  -0.233  -4.760  -3.983
  110    H2   B0I 101          HB21      B0I  15  -6.064  -3.872  -3.741
  111   HB21  B0I 101          HB22      B0I  15  -6.165  -2.713  -5.068
  112    HD3  B0I 101           HD3      B0I  15  -4.031  -4.266  -2.633
  113    HD4  B0I 101           HD4      B0I  15  -4.386  -0.962  -5.287
  114    HE4  B0I 101           HE4      B0I  15  -1.959  -0.598  -5.167
  115    HZ2  B0I 101           HZ2      B0I  15  -0.562  -2.072  -3.776