*HEADER    ANTIMICROBIAL PROTEIN                   31-JUL-02   1MA2              
*TITLE     TACHYPLESIN I WILD TYPE PEPTIDE NMR STRUCTURE                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN I;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*SOURCE   4 USING FMOC SOLID STATE SYNTHESIS. THE SEQUENCE OF THE                
*SOURCE   5 PEPTIDE IS NATURALLY FOUND IN TACHYPLEUS TRIDENTATUS                 
*SOURCE   6 (JAPANESE HORESHOE CRAB).                                            
*KEYWDS    TACHYPLESIN, BETA HAIRPIN, DISULFIDE BRIDGE, ANTI-MICROBIAL           
*KEYWDS   2 PEPTIDE                                                              
*EXPDTA    NMR, 31 STRUCTURES                                                    
*AUTHOR    A.LAEDERACH, A.H.ANDREOTTI, D.B.FULTON                                
*REVDAT   1   16-OCT-02 1MA2    0                                                

assign (resid 1 and name HZ3) (resid 1 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.0
assign (resid 1 and name HZ3) (resid 1 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.79
assign (resid 1 and name HZ3) (resid 1 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.80
assign (resid 1 and name HZ3) (resid 1 and name HE#) 5 3.2 0.0    !#tpc4h2o0725final.78
assign (resid 1 and name HZ3) (resid 1 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.81
assign (resid 2 and name HN) (resid 1 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.1
assign (resid 2 and name HD#) (resid 2 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.138
assign (resid 2 and name HD#) (resid 2 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.147
assign (resid 2 and name HE1) (resid 2 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.35
assign (resid 2 and name HN) (resid 2 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.2
assign (resid 2 and name HN) (resid 2 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.48
assign (resid 2 and name HZ2) (resid 2 and name HH2) 5 3.2 0.0    !#tpc4h2o0725final.133
assign (resid 2 and name HZ3) (resid 2 and name HE3) 2.8 1 0.0    !#tpc4h2o0725final.132
assign (resid 3 and name HN) (resid 2 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.3
assign (resid 2 and name HN) (resid 3 and name HN) 5 3.2 0.0    !#tpc4h2o0725final.145
assign (resid 3 and name HA) (resid 3 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.104
assign (resid 3 and name HA) (resid 3 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.103
assign (resid 3 and name HN) (resid 3 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.4
assign (resid 3 and name HN) (resid 3 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.71
assign (resid 3 and name HN) (resid 3 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.72
assign (resid 4 and name HN) (resid 3 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.5
assign (resid 4 and name HN) (resid 3 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.111
assign (resid 4 and name HD#) (resid 4 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.130
assign (resid 4 and name HD#) (resid 4 and name HE#) 3.4 1.6 0.0    !#tpc4h2o0725final.131
assign (resid 4 and name HN) (resid 4 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.6
assign (resid 4 and name HN) (resid 4 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.52
assign (resid 5 and name HN) (resid 4 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.7
assign (resid 5 and name HE) (resid 5 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.89
assign (resid 5 and name HE) (resid 5 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.88
assign (resid 5 and name HE) (resid 5 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.90
assign (resid 5 and name HE) (resid 5 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.87
assign (resid 5 and name HN) (resid 5 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.8
assign (resid 5 and name HN) (resid 5 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.66
assign (resid 5 and name HN) (resid 5 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.67
assign (resid 5 and name HN) (resid 5 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.65
assign (resid 5 and name HN) (resid 5 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.68
assign (resid 6 and name HN) (resid 5 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.9
assign (resid 6 and name HN) (resid 5 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.112
assign (resid 6 and name HN) (resid 6 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.10
assign (resid 6 and name HN) (resid 6 and name HB) 5 3.2 0.0    !#tpc4h2o0725final.50
assign (resid 6 and name HN) (resid 6 and name hg1#) 5 3.2 0.0    !#tpc4h2o0725final.49
assign (resid 7 and name HN) (resid 6 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.11
assign (resid 7 and name HA) (resid 7 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.100
assign (resid 7 and name HA) (resid 7 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.99
assign (resid 7 and name HN) (resid 7 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.12
assign (resid 7 and name HN) (resid 7 and name HB#) 3.4 1.6 0.0    !#tpc4h2o0725final.58
assign (resid 7 and name HN) (resid 7 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.57
assign (resid 8 and name HD#) (resid 6 and name hg1#) 5 3.2 0.0    !#tpc4h2o0725final.150
assign (resid 8 and name HE#) (resid 6 and name hg1#) 5 3.2 0.0    !#tpc4h2o0725final.151
assign (resid 8 and name HN) (resid 7 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.13
assign (resid 8 and name HN) (resid 7 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.108
assign (resid 8 and name HD#) (resid 8 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.117
assign (resid 8 and name HD#) (resid 8 and name HB#) 2.8 1 0.0    !#tpc4h2o0725final.120
assign (resid 8 and name HE#) (resid 8 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.118
assign (resid 8 and name HE#) (resid 8 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.119
assign (resid 8 and name HD#) (resid 8 and name HE#) 3.4 1.6 0.0    !#tpc4h2o0725final.129
assign (resid 8 and name HN) (resid 8 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.14
assign (resid 8 and name HN) (resid 8 and name HB#) 3.4 1.6 0.0    !#tpc4h2o0725final.44
assign (resid 9 and name HN) (resid 8 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.15
assign (resid 9 and name HE) (resid 9 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.82
assign (resid 9 and name HE) (resid 9 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.83
assign (resid 9 and name HE) (resid 9 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.84
assign (resid 9 and name HE) (resid 9 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.85
assign (resid 9 and name HE) (resid 9 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.86
assign (resid 9 and name HN) (resid 9 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.16
assign (resid 9 and name HN) (resid 9 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.38
assign (resid 9 and name HN) (resid 9 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.39
assign (resid 9 and name HN) (resid 9 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.37
assign (resid 9 and name HN) (resid 9 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.40
assign (resid 9 and name HN) (resid 9 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.41
assign (resid 10 and name HN) (resid 9 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.17
assign (resid 9 and name HN) (resid 10 and name HN) 5 3.2 0.0    !#tpc4h2o0725final.139
assign (resid 10 and name HN) (resid 10 and name HA#) 5 3.2 0.0    !#tpc4h2o0725final.18
assign (resid 10 and name HN) (resid 10 and name HA#) 3.4 1.6 0.0    !#tpc4h2o0725final.19
assign (resid 8 and name HN) (resid 11 and name HN) 5 3.2 0.0    !#tpc4h2o0725final.140
assign (resid 10 and name HN) (resid 11 and name hg2#) 5 3.2 0.0    !#tpc4h2o0725final.115
assign (resid 11 and name HN) (resid 10 and name HA#) 5 3.2 0.0    !#tpc4h2o0725final.21
assign (resid 11 and name HN) (resid 10 and name HA#) 5 3.2 0.0    !#tpc4h2o0725final.20
assign (resid 10 and name HN) (resid 11 and name HN) 3.4 1.6 0.0    !#tpc4h2o0725final.141
assign (resid 11 and name HN) (resid 11 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.22
assign (resid 11 and name HN) (resid 11 and name hd1#) 5 3.2 0.0    !#tpc4h2o0725final.77
assign (resid 11 and name HN) (resid 11 and name HG1#) 5 3.2 0.0    !#tpc4h2o0725final.75
assign (resid 11 and name HN) (resid 11 and name HG1#) 5 3.2 0.0    !#tpc4h2o0725final.74
assign (resid 11 and name HN) (resid 11 and name hg2#) 5 3.2 0.0    !#tpc4h2o0725final.76
assign (resid 8 and name HN) (resid 12 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.156
assign (resid 12 and name HN) (resid 11 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.23
assign (resid 12 and name HA) (resid 12 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.102
assign (resid 12 and name HA) (resid 12 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.101
assign (resid 12 and name HN) (resid 12 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.24
assign (resid 12 and name HN) (resid 12 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.69
assign (resid 12 and name HN) (resid 12 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.70
assign (resid 13 and name HN) (resid 6 and name HN) 5 3.2 0.0    !#tpc4h2o0725final.142
assign (resid 13 and name HN) (resid 7 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.25
assign (resid 13 and name HD#) (resid 11 and name hd1#) 5 3.2 0.0    !#tpc4h2o0725final.152
assign (resid 13 and name HD#) (resid 11 and name hg2#) 5 3.2 0.0    !#tpc4h2o0725final.148
assign (resid 13 and name HE#) (resid 11 and name hd1#) 5 3.2 0.0    !#tpc4h2o0725final.153
assign (resid 13 and name HE#) (resid 11 and name hg2#) 5 3.2 0.0    !#tpc4h2o0725final.149
assign (resid 12 and name HN) (resid 13 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.155
assign (resid 13 and name HD#) (resid 12 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.127
assign (resid 13 and name HN) (resid 12 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.107
assign (resid 13 and name HD#) (resid 13 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.126
assign (resid 13 and name HD#) (resid 13 and name HB#) 3.4 1.6 0.0    !#tpc4h2o0725final.122
assign (resid 13 and name HD#) (resid 13 and name HB#) 3.4 1.6 0.0    !#tpc4h2o0725final.121
assign (resid 13 and name HE#) (resid 13 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.125
assign (resid 13 and name HE#) (resid 13 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.124
assign (resid 13 and name HE#) (resid 13 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.123
assign (resid 13 and name HD#) (resid 13 and name HE#) 2.8 1 0.0    !#tpc4h2o0725final.128
assign (resid 13 and name HN) (resid 13 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.26
assign (resid 13 and name HN) (resid 13 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.42
assign (resid 13 and name HN) (resid 13 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.43
assign (resid 13 and name HN) (resid 13 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.143
assign (resid 5 and name HG#) (resid 14 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.162
assign (resid 14 and name HN) (resid 13 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.27
assign (resid 14 and name HN) (resid 13 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.159
assign (resid 14 and name HE) (resid 14 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.98
assign (resid 14 and name HN) (resid 14 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.28
assign (resid 14 and name HN) (resid 14 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.62
assign (resid 14 and name HN) (resid 14 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.63
assign (resid 14 and name HN) (resid 14 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.61
assign (resid 14 and name HN) (resid 14 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.64
assign (resid 15 and name HN) (resid 5 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.158
assign (resid 15 and name HN) (resid 14 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.29
assign (resid 15 and name HN) (resid 14 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.116
assign (resid 15 and name HE) (resid 15 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.91
assign (resid 15 and name HE) (resid 15 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.92
assign (resid 15 and name HE) (resid 15 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.93
assign (resid 15 and name HN) (resid 15 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.30
assign (resid 15 and name HN) (resid 15 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.54
assign (resid 15 and name HN) (resid 15 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.55
assign (resid 15 and name HN) (resid 15 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.53
assign (resid 15 and name HN) (resid 15 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.56
assign (resid 16 and name HA) (resid 3 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.161
assign (resid 16 and name HN) (resid 15 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.31
assign (resid 16 and name HA) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.106
assign (resid 16 and name HA) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.105
assign (resid 16 and name HN) (resid 16 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.32
assign (resid 16 and name HN) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.59
assign (resid 16 and name HN) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.60
assign (resid 2 and name HE3) (resid 17 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.136
assign (resid 2 and name HZ3) (resid 17 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.135
assign (resid 17 and name HN) (resid 16 and name HA) 3.4 1.6 0.0    !#tpc4h2o0725final.33
assign (resid 17 and name HN) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.109
assign (resid 17 and name HN) (resid 16 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.110
assign (resid 17 and name HE) (resid 17 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.97
assign (resid 17 and name HE) (resid 17 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.95
assign (resid 17 and name HE) (resid 17 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.96
assign (resid 17 and name HE) (resid 17 and name HG#) 5 3.2 0.0    !#tpc4h2o0725final.94
assign (resid 17 and name HN) (resid 17 and name HA) 5 3.2 0.0    !#tpc4h2o0725final.34
assign (resid 17 and name HN) (resid 17 and name HB#) 5 3.2 0.0    !#tpc4h2o0725final.46
assign (resid 17 and name HN) (resid 17 and name HD#) 5 3.2 0.0    !#tpc4h2o0725final.45
assign (resid   13 and  name O    )(resid   6 and  name HN   ) 1.8 0.3 0.7
assign (resid   13 and  name O    )(resid   6 and  name N    ) 2.8 0.4 0.7
assign (resid   8 and  name O    )(resid   11 and  name HN   ) 1.8 0.3 0.7
assign (resid   8 and  name O    )(resid   11 and  name N    ) 2.8 0.4 0.7
assign (resid   11 and  name O    )(resid   8 and  name HN   ) 1.8 0.3 0.7
assign (resid   11 and  name O    )(resid   8 and  name N    ) 2.8 0.4 0.7
assign (resid   6 and  name O    )(resid   13 and  name HN   ) 1.8 0.3 0.7
assign (resid   6 and  name O    )(resid   13 and  name N    ) 2.8 0.4 0.7



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1  -7.144  -9.051   9.228
    2   2H    LYS   1          2HT       LYS   1  -8.562  -9.101   8.261
    3   3H    LYS   1          3HT       LYS   1  -7.694  -7.631   8.441
    4    HA   LYS   1           HA       LYS   1  -6.976 -10.044   6.948
    5   1HB   LYS   1          2HB       LYS   1  -7.908  -7.359   6.406
    6   2HB   LYS   1          1HB       LYS   1  -6.376  -7.655   5.596
    7   1HG   LYS   1          2HG       LYS   1  -8.403  -9.783   5.358
    8   2HG   LYS   1          1HG       LYS   1  -8.758  -8.263   4.536
    9   1HD   LYS   1          2HD       LYS   1  -7.603  -9.420   2.906
   10   2HD   LYS   1          1HD       LYS   1  -6.312  -8.485   3.663
   11   1HE   LYS   1          2HE       LYS   1  -5.269 -10.475   3.777
   12   2HE   LYS   1          1HE       LYS   1  -6.285 -10.711   5.198
   13   1HZ   LYS   1          1HZ       LYS   1  -6.780 -12.594   4.065
   14   2HZ   LYS   1          2HZ       LYS   1  -6.491 -11.914   2.544
   15   3HZ   LYS   1          3HZ       LYS   1  -7.938 -11.586   3.356
   16    H    TRP   2           H        TRP   2  -4.892  -8.993   5.535
   17    HA   TRP   2           HA       TRP   2  -2.863  -8.375   7.569
   18   1HB   TRP   2          2HB       TRP   2  -2.814 -10.467   5.423
   19   2HB   TRP   2          1HB       TRP   2  -1.311  -9.771   6.023
   20    HD1  TRP   2           HD       TRP   2  -4.401 -11.665   7.396
   21    HE1  TRP   2           1HE      TRP   2  -3.642 -13.054   9.426
   22    HE3  TRP   2           3HE      TRP   2   0.462 -10.113   7.669
   23    HZ2  TRP   2           2HZ      TRP   2  -1.292 -13.438  10.944
   24    HZ3  TRP   2           3HZ      TRP   2   1.897 -11.036   9.440
   25    HH2  TRP   2           HH       TRP   2   1.037 -12.664  11.043
   26    H    CYS   3           H        CYS   3  -2.553  -8.845   4.106
   27    HA   CYS   3           HA       CYS   3  -0.935  -6.602   3.695
   28   1HB   CYS   3          2HB       CYS   3  -2.626  -8.216   1.787
   29   2HB   CYS   3          1HB       CYS   3  -1.563  -6.919   1.253
   30    H    PHE   4           H        PHE   4  -1.359  -4.499   3.500
   31    HA   PHE   4           HA       PHE   4  -3.973  -3.606   2.585
   32   1HB   PHE   4          2HB       PHE   4  -2.950  -3.253   5.361
   33   2HB   PHE   4          1HB       PHE   4  -3.806  -1.900   4.626
   34    HD1  PHE   4           1HD      PHE   4  -4.379  -4.158   6.929
   35    HD2  PHE   4           2HD      PHE   4  -5.872  -3.212   3.058
   36    HE1  PHE   4           1HE      PHE   4  -6.527  -5.213   7.504
   37    HE2  PHE   4           2HE      PHE   4  -8.022  -4.266   3.626
   38    HZ   PHE   4           HZ       PHE   4  -8.351  -5.267   5.852
   39    H    ARG   5           H        ARG   5  -2.622  -2.983   0.785
   40    HA   ARG   5           HA       ARG   5  -0.588  -0.984   1.153
   41   1HB   ARG   5          2HB       ARG   5  -0.388  -2.574  -0.665
   42   2HB   ARG   5          1HB       ARG   5  -1.934  -2.065  -1.326
   43   1HG   ARG   5          2HG       ARG   5  -0.853   0.251  -1.549
   44   2HG   ARG   5          1HG       ARG   5   0.676  -0.600  -1.313
   45   1HD   ARG   5          2HD       ARG   5  -1.342  -1.416  -3.385
   46   2HD   ARG   5          1HD       ARG   5  -0.063  -0.249  -3.713
   47    HE   ARG   5           HE       ARG   5   0.231  -3.111  -3.316
   48   1HH1  ARG   5          1HH1      ARG   5   1.815  -0.010  -3.594
   49   2HH1  ARG   5          2HH1      ARG   5   3.352  -0.695  -4.003
   50   1HH2  ARG   5          1HH2      ARG   5   2.251  -4.007  -3.849
   51   2HH2  ARG   5          2HH2      ARG   5   3.600  -2.962  -4.147
   52    H    VAL   6           H        VAL   6  -1.576   0.781   2.138
   53    HA   VAL   6           HA       VAL   6  -3.184   2.421   0.337
   54    HB   VAL   6           HB       VAL   6  -4.833   1.245   1.730
   55   1HG1  VAL   6          1HG1      VAL   6  -3.114   1.160   3.700
   56   2HG1  VAL   6          2HG1      VAL   6  -4.845   1.222   4.027
   57   3HG1  VAL   6          3HG1      VAL   6  -3.871   2.686   4.156
   58   1HG2  VAL   6          1HG2      VAL   6  -4.708   4.103   2.646
   59   2HG2  VAL   6          2HG2      VAL   6  -6.129   3.124   2.282
   60   3HG2  VAL   6          3HG2      VAL   6  -5.075   3.669   0.977
   61    H    CYS   7           H        CYS   7  -3.271   4.677   0.976
   62    HA   CYS   7           HA       CYS   7  -0.915   5.440   2.565
   63   1HB   CYS   7          2HB       CYS   7  -2.323   7.211   0.573
   64   2HB   CYS   7          1HB       CYS   7  -0.697   7.381   1.226
   65    H    TYR   8           H        TYR   8  -1.061   7.340   3.901
   66    HA   TYR   8           HA       TYR   8  -3.795   8.102   4.657
   67   1HB   TYR   8          2HB       TYR   8  -1.600   7.138   6.482
   68   2HB   TYR   8          1HB       TYR   8  -2.945   8.106   7.072
   69    HD1  TYR   8           1HD      TYR   8  -1.814   4.901   6.954
   70    HD2  TYR   8           2HD      TYR   8  -5.311   7.123   5.988
   71    HE1  TYR   8           1HE      TYR   8  -3.168   2.861   7.189
   72    HE2  TYR   8           2HE      TYR   8  -6.675   5.090   6.220
   73    HH   TYR   8           HH       TYR   8  -5.483   2.063   6.201
   74    H    ARG   9           H        ARG   9  -3.952  10.209   4.297
   75    HA   ARG   9           HA       ARG   9  -3.530  12.442   4.304
   76   1HB   ARG   9          2HB       ARG   9  -1.955  11.427   6.588
   77   2HB   ARG   9          1HB       ARG   9  -1.463  12.998   5.974
   78   1HG   ARG   9          2HG       ARG   9  -3.034  13.314   7.751
   79   2HG   ARG   9          1HG       ARG   9  -3.797  13.782   6.230
   80   1HD   ARG   9          2HD       ARG   9  -5.358  12.504   7.550
   81   2HD   ARG   9          1HD       ARG   9  -4.883  11.565   6.135
   82    HE   ARG   9           HE       ARG   9  -4.028   9.990   7.541
   83   1HH1  ARG   9          1HH1      ARG   9  -4.273  12.999   9.292
   84   2HH1  ARG   9          2HH1      ARG   9  -3.798  12.302  10.805
   85   1HH2  ARG   9          1HH2      ARG   9  -3.403   9.072   9.529
   86   2HH2  ARG   9          2HH2      ARG   9  -3.304  10.073  10.940
   87    H    GLY  10           H        GLY  10  -0.198  11.416   4.976
   88   1HA   GLY  10          2HA       GLY  10   0.534  12.096   2.213
   89   2HA   GLY  10          1HA       GLY  10   1.334  12.939   3.530
   90    H    ILE  11           H        ILE  11   0.428   9.591   3.840
   91    HA   ILE  11           HA       ILE  11   3.196   8.765   3.324
   92    HB   ILE  11           HB       ILE  11   2.793   9.153   5.793
   93   1HG1  ILE  11          2HG1      ILE  11   4.583   7.684   4.843
   94   2HG1  ILE  11          1HG1      ILE  11   4.059   7.222   6.458
   95   1HG2  ILE  11          1HG2      ILE  11   1.429   7.750   7.056
   96   2HG2  ILE  11          2HG2      ILE  11   1.266   6.576   5.751
   97   3HG2  ILE  11          3HG2      ILE  11   0.447   8.133   5.643
   98   1HD1  ILE  11          1HD1      ILE  11   3.900   5.761   3.932
   99   2HD1  ILE  11          2HD1      ILE  11   2.436   5.691   4.913
  100   3HD1  ILE  11          3HD1      ILE  11   3.977   5.167   5.591
  101    H    CYS  12           H        CYS  12   3.275   7.070   2.012
  102    HA   CYS  12           HA       CYS  12   0.847   5.461   1.651
  103   1HB   CYS  12          2HB       CYS  12   3.185   6.097  -0.121
  104   2HB   CYS  12          1HB       CYS  12   2.192   4.679  -0.438
  105    H    TYR  13           H        TYR  13   0.794   3.600   2.703
  106    HA   TYR  13           HA       TYR  13   3.308   2.259   3.379
  107   1HB   TYR  13          2HB       TYR  13   0.599   2.350   4.565
  108   2HB   TYR  13          1HB       TYR  13   1.424   0.797   4.656
  109    HD1  TYR  13           1HD      TYR  13   1.238   4.164   5.953
  110    HD2  TYR  13           2HD      TYR  13   3.634   0.650   5.818
  111    HE1  TYR  13           1HE      TYR  13   2.510   4.964   7.900
  112    HE2  TYR  13           2HE      TYR  13   4.912   1.440   7.765
  113    HH   TYR  13           HH       TYR  13   5.406   3.881   8.777
  114    H    ARG  14           H        ARG  14   3.938   1.039   1.692
  115    HA   ARG  14           HA       ARG  14   2.009  -0.513   0.178
  116   1HB   ARG  14          2HB       ARG  14   5.013  -0.479  -0.113
  117   2HB   ARG  14          1HB       ARG  14   3.838  -1.053  -1.288
  118   1HG   ARG  14          2HG       ARG  14   3.336   1.027  -2.014
  119   2HG   ARG  14          1HG       ARG  14   3.579   1.760  -0.428
  120   1HD   ARG  14          2HD       ARG  14   5.249   2.368  -2.244
  121   2HD   ARG  14          1HD       ARG  14   5.910   1.838  -0.701
  122    HE   ARG  14           HE       ARG  14   5.926   0.342  -3.218
  123   1HH1  ARG  14          1HH1      ARG  14   6.823   0.527   0.159
  124   2HH1  ARG  14          2HH1      ARG  14   7.983  -0.752   0.042
  125   1HH2  ARG  14          1HH2      ARG  14   7.449  -1.338  -3.358
  126   2HH2  ARG  14          2HH2      ARG  14   8.338  -1.810  -1.949
  127    H    ARG  15           H        ARG  15   4.129  -0.956   2.838
  128    HA   ARG  15           HA       ARG  15   4.773  -3.662   2.620
  129   1HB   ARG  15          2HB       ARG  15   4.758  -1.635   4.719
  130   2HB   ARG  15          1HB       ARG  15   4.419  -3.247   5.338
  131   1HG   ARG  15          2HG       ARG  15   6.775  -2.830   5.467
  132   2HG   ARG  15          1HG       ARG  15   6.476  -4.061   4.240
  133   1HD   ARG  15          2HD       ARG  15   6.487  -1.299   3.241
  134   2HD   ARG  15          1HD       ARG  15   8.031  -1.859   3.883
  135    HE   ARG  15           HE       ARG  15   6.887  -2.587   1.414
  136   1HH1  ARG  15          1HH1      ARG  15   8.624  -3.977   4.103
  137   2HH1  ARG  15          2HH1      ARG  15   9.344  -5.230   3.152
  138   1HH2  ARG  15          1HH2      ARG  15   7.832  -4.237   0.161
  139   2HH2  ARG  15          2HH2      ARG  15   8.895  -5.378   0.913
  140    H    CYS  16           H        CYS  16   3.789  -5.543   3.267
  141    HA   CYS  16           HA       CYS  16   0.923  -5.534   3.274
  142   1HB   CYS  16          2HB       CYS  16   3.069  -7.557   3.134
  143   2HB   CYS  16          1HB       CYS  16   1.575  -8.099   3.892
  144    H    ARG  17           H        ARG  17   3.361  -5.466   5.682
  145    HA   ARG  17           HA       ARG  17   1.480  -6.335   7.758
  146   1HB   ARG  17          2HB       ARG  17   4.472  -5.940   7.780
  147   2HB   ARG  17          1HB       ARG  17   3.536  -6.262   9.233
  148   1HG   ARG  17          2HG       ARG  17   3.905  -8.059   6.851
  149   2HG   ARG  17          1HG       ARG  17   4.468  -8.319   8.502
  150   1HD   ARG  17          2HD       ARG  17   1.624  -8.310   7.513
  151   2HD   ARG  17          1HD       ARG  17   2.532  -9.683   8.143
  152    HE   ARG  17           HE       ARG  17   2.581  -8.293  10.290
  153   1HH1  ARG  17          1HH1      ARG  17  -0.072  -8.258   8.008
  154   2HH1  ARG  17          2HH1      ARG  17  -1.252  -7.853   9.206
  155   1HH2  ARG  17          1HH2      ARG  17   1.022  -7.758  11.854
  156   2HH2  ARG  17          2HH2      ARG  17  -0.634  -7.569  11.384
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1  -6.948  -9.514   6.612
    2   2H    LYS   1          2HT       LYS   1  -6.915  -7.922   7.255
    3   3H    LYS   1          3HT       LYS   1  -7.190  -8.169   5.578
    4    HA   LYS   1           HA       LYS   1  -9.188  -9.490   6.281
    5   1HB   LYS   1          2HB       LYS   1  -8.544  -7.937   8.796
    6   2HB   LYS   1          1HB       LYS   1 -10.085  -8.726   8.487
    7   1HG   LYS   1          2HG       LYS   1  -7.649 -10.391   8.262
    8   2HG   LYS   1          1HG       LYS   1  -8.132  -9.871   9.877
    9   1HD   LYS   1          2HD       LYS   1  -9.215 -11.928   9.574
   10   2HD   LYS   1          1HD       LYS   1 -10.465 -10.723   9.257
   11   1HE   LYS   1          2HE       LYS   1 -10.334 -12.655   7.629
   12   2HE   LYS   1          1HE       LYS   1 -10.318 -11.038   6.924
   13   1HZ   LYS   1          1HZ       LYS   1  -8.609 -12.856   6.181
   14   2HZ   LYS   1          2HZ       LYS   1  -7.752 -12.317   7.537
   15   3HZ   LYS   1          3HZ       LYS   1  -8.148 -11.231   6.300
   16    H    TRP   2           H        TRP   2  -8.669  -6.258   7.693
   17    HA   TRP   2           HA       TRP   2 -10.694  -5.216   5.842
   18   1HB   TRP   2          2HB       TRP   2 -10.545  -4.948   8.552
   19   2HB   TRP   2          1HB       TRP   2  -9.758  -3.466   8.020
   20    HD1  TRP   2           HD       TRP   2 -13.022  -5.343   7.027
   21    HE1  TRP   2           1HE      TRP   2 -14.885  -3.589   6.769
   22    HE3  TRP   2           3HE      TRP   2 -10.322  -1.130   8.074
   23    HZ2  TRP   2           2HZ      TRP   2 -15.175  -0.789   6.983
   24    HZ3  TRP   2           3HZ      TRP   2 -11.467   1.047   8.026
   25    HH2  TRP   2           HH       TRP   2 -13.844   1.212   7.491
   26    H    CYS   3           H        CYS   3  -7.355  -5.092   6.600
   27    HA   CYS   3           HA       CYS   3  -6.924  -2.590   5.176
   28   1HB   CYS   3          2HB       CYS   3  -4.663  -4.319   6.083
   29   2HB   CYS   3          1HB       CYS   3  -4.790  -2.564   6.062
   30    H    PHE   4           H        PHE   4  -5.285  -2.506   3.433
   31    HA   PHE   4           HA       PHE   4  -4.682  -4.923   2.001
   32   1HB   PHE   4          2HB       PHE   4  -5.871  -3.927  -0.111
   33   2HB   PHE   4          1HB       PHE   4  -6.792  -4.874   1.052
   34    HD1  PHE   4           1HD      PHE   4  -8.935  -4.053   1.124
   35    HD2  PHE   4           2HD      PHE   4  -5.679  -1.312   1.061
   36    HE1  PHE   4           1HE      PHE   4 -10.507  -2.181   1.406
   37    HE2  PHE   4           2HE      PHE   4  -7.245   0.563   1.344
   38    HZ   PHE   4           HZ       PHE   4  -9.662   0.129   1.518
   39    H    ARG   5           H        ARG   5  -3.324  -2.557   3.131
   40    HA   ARG   5           HA       ARG   5  -1.557  -1.218   2.631
   41   1HB   ARG   5          2HB       ARG   5  -1.189  -3.416   1.101
   42   2HB   ARG   5          1HB       ARG   5  -1.286  -2.185  -0.151
   43   1HG   ARG   5          2HG       ARG   5   0.997  -2.413   0.366
   44   2HG   ARG   5          1HG       ARG   5   0.475  -0.914   1.138
   45   1HD   ARG   5          2HD       ARG   5   1.373  -1.719   3.013
   46   2HD   ARG   5          1HD       ARG   5   0.010  -2.835   3.067
   47    HE   ARG   5           HE       ARG   5   1.423  -4.542   2.484
   48   1HH1  ARG   5          1HH1      ARG   5   3.020  -1.496   1.902
   49   2HH1  ARG   5          2HH1      ARG   5   4.558  -2.220   1.574
   50   1HH2  ARG   5          1HH2      ARG   5   3.444  -5.499   2.054
   51   2HH2  ARG   5          2HH2      ARG   5   4.798  -4.494   1.661
   52    H    VAL   6           H        VAL   6  -1.474   0.878   2.065
   53    HA   VAL   6           HA       VAL   6  -2.225   1.978  -0.380
   54    HB   VAL   6           HB       VAL   6  -4.518   1.205   0.670
   55   1HG1  VAL   6          1HG1      VAL   6  -3.926   2.623   2.767
   56   2HG1  VAL   6          2HG1      VAL   6  -5.578   2.618   2.148
   57   3HG1  VAL   6          3HG1      VAL   6  -4.506   3.972   1.790
   58   1HG2  VAL   6          1HG2      VAL   6  -5.486   2.472  -0.917
   59   2HG2  VAL   6          2HG2      VAL   6  -3.818   2.851  -1.343
   60   3HG2  VAL   6          3HG2      VAL   6  -4.745   3.962  -0.332
   61    H    CYS   7           H        CYS   7  -2.762   4.470  -0.060
   62    HA   CYS   7           HA       CYS   7  -0.774   5.452   1.860
   63   1HB   CYS   7          2HB       CYS   7  -1.989   7.074  -0.366
   64   2HB   CYS   7          1HB       CYS   7  -0.454   7.319   0.457
   65    H    TYR   8           H        TYR   8  -1.210   7.325   3.134
   66    HA   TYR   8           HA       TYR   8  -3.787   8.524   3.234
   67   1HB   TYR   8          2HB       TYR   8  -3.193   6.251   5.063
   68   2HB   TYR   8          1HB       TYR   8  -4.041   7.639   5.737
   69    HD1  TYR   8           1HD      TYR   8  -5.996   8.503   4.015
   70    HD2  TYR   8           2HD      TYR   8  -4.549   4.521   4.396
   71    HE1  TYR   8           1HE      TYR   8  -8.116   7.651   3.104
   72    HE2  TYR   8           2HE      TYR   8  -6.663   3.659   3.485
   73    HH   TYR   8           HH       TYR   8  -8.522   4.385   2.143
   74    H    ARG   9           H        ARG   9  -3.985  10.059   5.060
   75    HA   ARG   9           HA       ARG   9  -3.192  11.763   6.333
   76   1HB   ARG   9          2HB       ARG   9  -2.335  10.003   7.790
   77   2HB   ARG   9          1HB       ARG   9  -0.883   9.868   6.809
   78   1HG   ARG   9          2HG       ARG   9  -0.140  11.149   8.558
   79   2HG   ARG   9          1HG       ARG   9  -0.588  12.389   7.386
   80   1HD   ARG   9          2HD       ARG   9  -2.844  11.640   9.025
   81   2HD   ARG   9          1HD       ARG   9  -1.481  12.150  10.019
   82    HE   ARG   9           HE       ARG   9  -3.151  13.825   8.488
   83   1HH1  ARG   9          1HH1      ARG   9   0.206  13.391   9.336
   84   2HH1  ARG   9          2HH1      ARG   9   0.603  15.065   9.135
   85   1HH2  ARG   9          1HH2      ARG   9  -2.631  16.026   8.222
   86   2HH2  ARG   9          2HH2      ARG   9  -1.008  16.562   8.503
   87    H    GLY  10           H        GLY  10  -0.044  10.553   5.201
   88   1HA   GLY  10          2HA       GLY  10   0.189  12.553   3.159
   89   2HA   GLY  10          1HA       GLY  10   1.102  12.966   4.602
   90    H    ILE  11           H        ILE  11   0.617   9.673   3.522
   91    HA   ILE  11           HA       ILE  11   3.132   9.497   2.150
   92    HB   ILE  11           HB       ILE  11   3.961   7.683   3.789
   93   1HG1  ILE  11          2HG1      ILE  11   3.366   8.160   6.161
   94   2HG1  ILE  11          1HG1      ILE  11   2.137   9.288   5.596
   95   1HG2  ILE  11          1HG2      ILE  11   4.166  10.450   4.904
   96   2HG2  ILE  11          2HG2      ILE  11   4.848  10.069   3.323
   97   3HG2  ILE  11          3HG2      ILE  11   5.409   9.209   4.757
   98   1HD1  ILE  11          1HD1      ILE  11   0.709   7.645   5.027
   99   2HD1  ILE  11          2HD1      ILE  11   1.638   6.736   6.217
  100   3HD1  ILE  11          3HD1      ILE  11   1.993   6.560   4.499
  101    H    CYS  12           H        CYS  12   3.665   7.061   1.780
  102    HA   CYS  12           HA       CYS  12   1.124   5.658   1.272
  103   1HB   CYS  12          2HB       CYS  12   3.601   5.933  -0.404
  104   2HB   CYS  12          1HB       CYS  12   2.527   4.555  -0.618
  105    H    TYR  13           H        TYR  13   0.997   4.184   2.872
  106    HA   TYR  13           HA       TYR  13   3.184   2.243   3.044
  107   1HB   TYR  13          2HB       TYR  13   2.049   3.868   5.275
  108   2HB   TYR  13          1HB       TYR  13   2.534   2.209   5.610
  109    HD1  TYR  13           1HD      TYR  13   3.702   5.557   4.689
  110    HD2  TYR  13           2HD      TYR  13   4.864   1.552   5.530
  111    HE1  TYR  13           1HE      TYR  13   6.039   6.287   4.908
  112    HE2  TYR  13           2HE      TYR  13   7.201   2.271   5.752
  113    HH   TYR  13           HH       TYR  13   8.161   5.295   6.237
  114    H    ARG  14           H        ARG  14   0.642   2.052   5.395
  115    HA   ARG  14           HA       ARG  14  -0.786   0.115   3.719
  116   1HB   ARG  14          2HB       ARG  14  -0.921  -0.817   6.394
  117   2HB   ARG  14          1HB       ARG  14  -0.186  -1.601   5.005
  118   1HG   ARG  14          2HG       ARG  14   1.538  -1.536   6.534
  119   2HG   ARG  14          1HG       ARG  14   1.862  -0.117   5.539
  120   1HD   ARG  14          2HD       ARG  14   2.127   0.445   7.875
  121   2HD   ARG  14          1HD       ARG  14   0.722   1.284   7.218
  122    HE   ARG  14           HE       ARG  14   0.091  -1.222   8.479
  123   1HH1  ARG  14          1HH1      ARG  14   0.594   2.194   8.989
  124   2HH1  ARG  14          2HH1      ARG  14  -0.356   2.244  10.436
  125   1HH2  ARG  14          1HH2      ARG  14  -1.157  -1.157  10.384
  126   2HH2  ARG  14          2HH2      ARG  14  -1.348   0.343  11.228
  127    H    ARG  15           H        ARG  15  -1.245   0.971   7.126
  128    HA   ARG  15           HA       ARG  15  -3.030   1.824   8.246
  129   1HB   ARG  15          2HB       ARG  15  -2.427   3.803   6.802
  130   2HB   ARG  15          1HB       ARG  15  -3.669   3.274   5.677
  131   1HG   ARG  15          2HG       ARG  15  -4.449   5.056   7.162
  132   2HG   ARG  15          1HG       ARG  15  -5.377   3.569   7.357
  133   1HD   ARG  15          2HD       ARG  15  -4.154   3.017   9.362
  134   2HD   ARG  15          1HD       ARG  15  -3.093   4.406   9.139
  135    HE   ARG  15           HE       ARG  15  -5.533   5.541   9.271
  136   1HH1  ARG  15          1HH1      ARG  15  -3.884   3.243  11.318
  137   2HH1  ARG  15          2HH1      ARG  15  -4.689   3.761  12.760
  138   1HH2  ARG  15          1HH2      ARG  15  -6.592   6.225  11.168
  139   2HH2  ARG  15          2HH2      ARG  15  -6.227   5.453  12.675
  140    H    CYS  16           H        CYS  16  -5.427   1.838   8.345
  141    HA   CYS  16           HA       CYS  16  -6.678   0.051   6.385
  142   1HB   CYS  16          2HB       CYS  16  -7.163  -0.300   9.338
  143   2HB   CYS  16          1HB       CYS  16  -7.570  -1.398   8.022
  144    H    ARG  17           H        ARG  17  -7.380   2.333   5.820
  145    HA   ARG  17           HA       ARG  17  -9.901   2.892   7.224
  146   1HB   ARG  17          2HB       ARG  17  -7.757   4.526   7.491
  147   2HB   ARG  17          1HB       ARG  17  -8.501   5.221   6.059
  148   1HG   ARG  17          2HG       ARG  17  -9.935   4.748   8.662
  149   2HG   ARG  17          1HG       ARG  17  -9.215   6.284   8.175
  150   1HD   ARG  17          2HD       ARG  17 -10.685   6.390   6.247
  151   2HD   ARG  17          1HD       ARG  17 -11.365   4.816   6.654
  152    HE   ARG  17           HE       ARG  17 -12.014   7.350   7.845
  153   1HH1  ARG  17          1HH1      ARG  17 -11.987   3.890   8.313
  154   2HH1  ARG  17          2HH1      ARG  17 -13.245   3.917   9.504
  155   1HH2  ARG  17          1HH2      ARG  17 -13.666   7.385   9.412
  156   2HH2  ARG  17          2HH2      ARG  17 -14.198   5.900  10.128
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1   4.808   8.073   9.124
    2   2H    LYS   1          2HT       LYS   1   5.562   6.969  10.199
    3   3H    LYS   1          3HT       LYS   1   4.095   6.542   9.417
    4    HA   LYS   1           HA       LYS   1   5.362   6.897   7.283
    5   1HB   LYS   1          2HB       LYS   1   7.749   6.641   7.440
    6   2HB   LYS   1          1HB       LYS   1   7.273   7.982   8.471
    7   1HG   LYS   1          2HG       LYS   1   8.562   6.997  10.004
    8   2HG   LYS   1          1HG       LYS   1   7.202   5.894  10.220
    9   1HD   LYS   1          2HD       LYS   1   9.162   4.566   9.941
   10   2HD   LYS   1          1HD       LYS   1   8.219   4.433   8.456
   11   1HE   LYS   1          2HE       LYS   1   9.751   6.502   7.775
   12   2HE   LYS   1          1HE       LYS   1  10.835   5.745   8.941
   13   1HZ   LYS   1          1HZ       LYS   1  10.650   3.673   7.690
   14   2HZ   LYS   1          2HZ       LYS   1  11.256   4.922   6.723
   15   3HZ   LYS   1          3HZ       LYS   1   9.646   4.430   6.556
   16    H    TRP   2           H        TRP   2   5.508   4.995   6.178
   17    HA   TRP   2           HA       TRP   2   5.326   2.768   5.751
   18   1HB   TRP   2          2HB       TRP   2   7.513   2.590   6.769
   19   2HB   TRP   2          1HB       TRP   2   6.810   2.592   8.381
   20    HD1  TRP   2           HD       TRP   2   6.944   0.346   5.234
   21    HE1  TRP   2           1HE      TRP   2   6.690  -2.099   5.990
   22    HE3  TRP   2           3HE      TRP   2   6.091   1.118  10.217
   23    HZ2  TRP   2           2HZ      TRP   2   6.194  -3.517   8.379
   24    HZ3  TRP   2           3HZ      TRP   2   5.736  -0.838  11.668
   25    HH2  TRP   2           HH       TRP   2   5.786  -3.107  10.767
   26    H    CYS   3           H        CYS   3   3.039   2.835   5.896
   27    HA   CYS   3           HA       CYS   3   2.008   1.457   8.267
   28   1HB   CYS   3          2HB       CYS   3   1.446   4.049   7.851
   29   2HB   CYS   3          1HB       CYS   3   0.166   3.325   6.884
   30    H    PHE   4           H        PHE   4  -0.518   0.928   7.610
   31    HA   PHE   4           HA       PHE   4  -0.422  -1.297   6.020
   32   1HB   PHE   4          2HB       PHE   4  -2.421   0.141   7.410
   33   2HB   PHE   4          1HB       PHE   4  -3.047  -0.163   5.791
   34    HD1  PHE   4           1HD      PHE   4  -0.845  -2.210   7.994
   35    HD2  PHE   4           2HD      PHE   4  -4.569  -1.888   5.959
   36    HE1  PHE   4           1HE      PHE   4  -1.398  -4.516   8.649
   37    HE2  PHE   4           2HE      PHE   4  -5.129  -4.193   6.612
   38    HZ   PHE   4           HZ       PHE   4  -3.541  -5.510   7.958
   39    H    ARG   5           H        ARG   5  -2.104  -1.531   4.089
   40    HA   ARG   5           HA       ARG   5  -0.862  -0.441   1.834
   41   1HB   ARG   5          2HB       ARG   5  -2.287  -2.561   2.044
   42   2HB   ARG   5          1HB       ARG   5  -3.671  -1.501   1.835
   43   1HG   ARG   5          2HG       ARG   5  -2.850  -2.651  -0.238
   44   2HG   ARG   5          1HG       ARG   5  -3.006  -0.898  -0.349
   45   1HD   ARG   5          2HD       ARG   5  -0.811  -0.618  -0.702
   46   2HD   ARG   5          1HD       ARG   5  -0.373  -1.784   0.545
   47    HE   ARG   5           HE       ARG   5  -1.292  -3.325  -1.498
   48   1HH1  ARG   5          1HH1      ARG   5   1.152  -0.845  -1.240
   49   2HH1  ARG   5          2HH1      ARG   5   2.146  -1.521  -2.489
   50   1HH2  ARG   5          1HH2      ARG   5   0.012  -4.211  -3.139
   51   2HH2  ARG   5          2HH2      ARG   5   1.498  -3.430  -3.568
   52    H    VAL   6           H        VAL   6  -1.431   1.104   0.367
   53    HA   VAL   6           HA       VAL   6  -2.579   2.879  -0.559
   54    HB   VAL   6           HB       VAL   6  -4.369   3.011   1.862
   55   1HG1  VAL   6          1HG1      VAL   6  -4.785   4.926   0.696
   56   2HG1  VAL   6          2HG1      VAL   6  -5.904   3.835  -0.123
   57   3HG1  VAL   6          3HG1      VAL   6  -4.344   4.212  -0.855
   58   1HG2  VAL   6          1HG2      VAL   6  -4.211   0.884  -0.020
   59   2HG2  VAL   6          2HG2      VAL   6  -5.706   1.772  -0.311
   60   3HG2  VAL   6          3HG2      VAL   6  -5.369   1.113   1.288
   61    H    CYS   7           H        CYS   7  -2.780   5.235  -0.132
   62    HA   CYS   7           HA       CYS   7  -0.686   6.036   1.708
   63   1HB   CYS   7          2HB       CYS   7  -0.919   6.820  -0.750
   64   2HB   CYS   7          1HB       CYS   7  -2.153   7.909  -0.120
   65    H    TYR   8           H        TYR   8  -1.249   6.440   3.722
   66    HA   TYR   8           HA       TYR   8  -3.906   7.457   4.331
   67   1HB   TYR   8          2HB       TYR   8  -1.657   6.507   6.113
   68   2HB   TYR   8          1HB       TYR   8  -3.216   7.074   6.703
   69    HD1  TYR   8           1HD      TYR   8  -4.912   5.788   4.507
   70    HD2  TYR   8           2HD      TYR   8  -1.755   4.284   6.931
   71    HE1  TYR   8           1HE      TYR   8  -5.827   3.518   4.281
   72    HE2  TYR   8           2HE      TYR   8  -2.660   2.009   6.709
   73    HH   TYR   8           HH       TYR   8  -5.762   1.380   5.469
   74    H    ARG   9           H        ARG   9  -4.045   9.585   3.953
   75    HA   ARG   9           HA       ARG   9  -3.797  11.817   4.263
   76   1HB   ARG   9          2HB       ARG   9  -3.222  10.677   6.719
   77   2HB   ARG   9          1HB       ARG   9  -1.860  11.750   6.440
   78   1HG   ARG   9          2HG       ARG   9  -4.754  12.571   6.306
   79   2HG   ARG   9          1HG       ARG   9  -3.693  12.813   7.695
   80   1HD   ARG   9          2HD       ARG   9  -2.381  13.827   5.385
   81   2HD   ARG   9          1HD       ARG   9  -4.025  14.459   5.404
   82    HE   ARG   9           HE       ARG   9  -3.518  15.679   7.289
   83   1HH1  ARG   9          1HH1      ARG   9  -0.922  13.444   6.609
   84   2HH1  ARG   9          2HH1      ARG   9   0.159  14.157   7.756
   85   1HH2  ARG   9          1HH2      ARG   9  -2.094  16.616   8.797
   86   2HH2  ARG   9          2HH2      ARG   9  -0.505  15.959   8.999
   87    H    GLY  10           H        GLY  10  -0.558  10.694   5.291
   88   1HA   GLY  10          2HA       GLY  10   0.538  12.284   3.052
   89   2HA   GLY  10          1HA       GLY  10   1.279  12.249   4.641
   90    H    ILE  11           H        ILE  11   1.028   9.416   5.077
   91    HA   ILE  11           HA       ILE  11   3.253   8.573   3.396
   92    HB   ILE  11           HB       ILE  11   3.420   6.631   4.899
   93   1HG1  ILE  11          2HG1      ILE  11   1.907   7.245   7.109
   94   2HG1  ILE  11          1HG1      ILE  11   0.810   7.638   5.788
   95   1HG2  ILE  11          1HG2      ILE  11   3.650   9.422   5.754
   96   2HG2  ILE  11          2HG2      ILE  11   4.838   8.117   5.780
   97   3HG2  ILE  11          3HG2      ILE  11   3.638   8.243   7.066
   98   1HD1  ILE  11          1HD1      ILE  11   1.094   5.395   4.881
   99   2HD1  ILE  11          2HD1      ILE  11   0.502   5.354   6.542
  100   3HD1  ILE  11          3HD1      ILE  11   2.196   5.000   6.201
  101    H    CYS  12           H        CYS  12   3.318   6.569   2.300
  102    HA   CYS  12           HA       CYS  12   0.766   5.226   1.830
  103   1HB   CYS  12          2HB       CYS  12   2.334   5.522  -0.629
  104   2HB   CYS  12          1HB       CYS  12   0.605   5.694  -0.375
  105    H    TYR  13           H        TYR  13   1.152   3.208   2.435
  106    HA   TYR  13           HA       TYR  13   3.335   1.748   1.213
  107   1HB   TYR  13          2HB       TYR  13   3.174   2.102   4.211
  108   2HB   TYR  13          1HB       TYR  13   4.231   0.957   3.392
  109    HD1  TYR  13           1HD      TYR  13   3.860   4.349   4.517
  110    HD2  TYR  13           2HD      TYR  13   5.942   1.858   1.763
  111    HE1  TYR  13           1HE      TYR  13   5.571   6.089   4.240
  112    HE2  TYR  13           2HE      TYR  13   7.654   3.589   1.481
  113    HH   TYR  13           HH       TYR  13   8.513   5.606   3.049
  114    H    ARG  14           H        ARG  14   3.196  -0.480   3.064
  115    HA   ARG  14           HA       ARG  14   0.401  -1.320   2.784
  116   1HB   ARG  14          2HB       ARG  14   1.420  -2.312   0.907
  117   2HB   ARG  14          1HB       ARG  14   2.861  -2.746   1.813
  118   1HG   ARG  14          2HG       ARG  14   1.529  -4.704   1.311
  119   2HG   ARG  14          1HG       ARG  14   1.579  -4.420   3.050
  120   1HD   ARG  14          2HD       ARG  14  -0.627  -3.394   2.960
  121   2HD   ARG  14          1HD       ARG  14  -0.670  -3.615   1.213
  122    HE   ARG  14           HE       ARG  14  -1.144  -5.848   1.520
  123   1HH1  ARG  14          1HH1      ARG  14  -0.296  -4.397   4.581
  124   2HH1  ARG  14          2HH1      ARG  14  -0.805  -5.764   5.511
  125   1HH2  ARG  14          1HH2      ARG  14  -1.810  -7.647   2.745
  126   2HH2  ARG  14          2HH2      ARG  14  -1.662  -7.609   4.471
  127    H    ARG  15           H        ARG  15   3.030  -1.020   4.862
  128    HA   ARG  15           HA       ARG  15   1.731  -2.850   6.751
  129   1HB   ARG  15          2HB       ARG  15   4.727  -2.679   6.432
  130   2HB   ARG  15          1HB       ARG  15   3.837  -3.746   7.508
  131   1HG   ARG  15          2HG       ARG  15   4.293  -5.199   5.826
  132   2HG   ARG  15          1HG       ARG  15   2.758  -4.556   5.241
  133   1HD   ARG  15          2HD       ARG  15   4.364  -4.601   3.435
  134   2HD   ARG  15          1HD       ARG  15   3.997  -2.929   3.862
  135    HE   ARG  15           HE       ARG  15   6.317  -3.986   5.191
  136   1HH1  ARG  15          1HH1      ARG  15   5.140  -2.412   2.307
  137   2HH1  ARG  15          2HH1      ARG  15   6.677  -1.717   1.909
  138   1HH2  ARG  15          1HH2      ARG  15   8.335  -3.075   4.671
  139   2HH2  ARG  15          2HH2      ARG  15   8.491  -2.094   3.252
  140    H    CYS  16           H        CYS  16   1.766  -2.238   8.891
  141    HA   CYS  16           HA       CYS  16   3.065   0.328   9.519
  142   1HB   CYS  16          2HB       CYS  16   0.397   0.165   9.176
  143   2HB   CYS  16          1HB       CYS  16   0.495  -0.280  10.876
  144    H    ARG  17           H        ARG  17   2.873   0.681  12.036
  145    HA   ARG  17           HA       ARG  17   4.460  -1.285  13.258
  146   1HB   ARG  17          2HB       ARG  17   3.327   1.279  13.970
  147   2HB   ARG  17          1HB       ARG  17   3.235   0.164  15.326
  148   1HG   ARG  17          2HG       ARG  17   5.304   0.921  15.747
  149   2HG   ARG  17          1HG       ARG  17   5.771  -0.269  14.529
  150   1HD   ARG  17          2HD       ARG  17   5.571   1.519  12.805
  151   2HD   ARG  17          1HD       ARG  17   5.287   2.677  14.104
  152    HE   ARG  17           HE       ARG  17   7.629   1.466  14.788
  153   1HH1  ARG  17          1HH1      ARG  17   6.491   3.152  11.951
  154   2HH1  ARG  17          2HH1      ARG  17   8.060   3.738  11.516
  155   1HH2  ARG  17          1HH2      ARG  17   9.694   2.236  14.217
  156   2HH2  ARG  17          2HH2      ARG  17   9.882   3.217  12.803
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1 -11.166  -2.654   6.857
    2   2H    LYS   1          2HT       LYS   1 -11.887  -1.231   7.491
    3   3H    LYS   1          3HT       LYS   1 -12.635  -2.756   7.733
    4    HA   LYS   1           HA       LYS   1 -11.401  -1.797   9.643
    5   1HB   LYS   1          2HB       LYS   1 -12.102  -4.211   9.210
    6   2HB   LYS   1          1HB       LYS   1 -10.441  -4.490   8.702
    7   1HG   LYS   1          2HG       LYS   1 -10.626  -5.182  10.964
    8   2HG   LYS   1          1HG       LYS   1  -9.702  -3.679  10.945
    9   1HD   LYS   1          2HD       LYS   1 -11.800  -2.455  11.490
   10   2HD   LYS   1          1HD       LYS   1 -12.616  -4.012  11.650
   11   1HE   LYS   1          2HE       LYS   1 -10.484  -4.410  13.256
   12   2HE   LYS   1          1HE       LYS   1 -10.706  -2.672  13.452
   13   1HZ   LYS   1          1HZ       LYS   1 -12.629  -2.954  14.555
   14   2HZ   LYS   1          2HZ       LYS   1 -12.010  -4.494  14.882
   15   3HZ   LYS   1          3HZ       LYS   1 -13.118  -4.279  13.621
   16    H    TRP   2           H        TRP   2  -9.288  -3.512   7.401
   17    HA   TRP   2           HA       TRP   2  -7.303  -1.480   7.378
   18   1HB   TRP   2          2HB       TRP   2  -7.191  -2.911   9.671
   19   2HB   TRP   2          1HB       TRP   2  -6.166  -3.905   8.643
   20    HD1  TRP   2           HD       TRP   2  -5.960  -0.231   7.873
   21    HE1  TRP   2           1HE      TRP   2  -3.738   0.715   8.761
   22    HE3  TRP   2           3HE      TRP   2  -4.446  -4.219  10.694
   23    HZ2  TRP   2           2HZ      TRP   2  -1.624  -0.115  10.434
   24    HZ3  TRP   2           3HZ      TRP   2  -2.310  -4.059  11.907
   25    HH2  TRP   2           HH       TRP   2  -0.930  -2.050  11.778
   26    H    CYS   3           H        CYS   3  -5.071  -3.343   6.979
   27    HA   CYS   3           HA       CYS   3  -4.143  -4.718   5.408
   28   1HB   CYS   3          2HB       CYS   3  -6.509  -5.902   5.663
   29   2HB   CYS   3          1HB       CYS   3  -6.742  -5.253   4.043
   30    H    PHE   4           H        PHE   4  -3.078  -4.039   3.657
   31    HA   PHE   4           HA       PHE   4  -2.498  -2.808   1.832
   32   1HB   PHE   4          2HB       PHE   4  -5.461  -2.679   1.244
   33   2HB   PHE   4          1HB       PHE   4  -4.140  -2.488   0.096
   34    HD1  PHE   4           1HD      PHE   4  -2.640  -4.486  -0.343
   35    HD2  PHE   4           2HD      PHE   4  -6.373  -4.781   1.680
   36    HE1  PHE   4           1HE      PHE   4  -2.706  -6.897  -0.824
   37    HE2  PHE   4           2HE      PHE   4  -6.444  -7.194   1.202
   38    HZ   PHE   4           HZ       PHE   4  -4.610  -8.255  -0.050
   39    H    ARG   5           H        ARG   5  -2.023  -1.223   3.618
   40    HA   ARG   5           HA       ARG   5  -3.753   0.934   4.148
   41   1HB   ARG   5          2HB       ARG   5  -1.459   2.081   4.755
   42   2HB   ARG   5          1HB       ARG   5  -2.132   0.807   5.758
   43   1HG   ARG   5          2HG       ARG   5  -0.612  -0.779   4.970
   44   2HG   ARG   5          1HG       ARG   5  -0.170   0.207   3.574
   45   1HD   ARG   5          2HD       ARG   5   1.541   0.145   5.401
   46   2HD   ARG   5          1HD       ARG   5   1.000   1.761   4.946
   47    HE   ARG   5           HE       ARG   5  -0.562   0.822   7.089
   48   1HH1  ARG   5          1HH1      ARG   5   2.678   1.919   6.399
   49   2HH1  ARG   5          2HH1      ARG   5   2.952   2.515   8.002
   50   1HH2  ARG   5          1HH2      ARG   5  -0.206   1.606   9.197
   51   2HH2  ARG   5          2HH2      ARG   5   1.314   2.338   9.590
   52    H    VAL   6           H        VAL   6  -1.824   0.239   1.419
   53    HA   VAL   6           HA       VAL   6  -1.153   1.430  -0.396
   54    HB   VAL   6           HB       VAL   6  -3.267   1.338  -1.238
   55   1HG1  VAL   6          1HG1      VAL   6  -4.425   1.407   0.913
   56   2HG1  VAL   6          2HG1      VAL   6  -5.254   2.357  -0.316
   57   3HG1  VAL   6          3HG1      VAL   6  -4.299   3.164   0.925
   58   1HG2  VAL   6          1HG2      VAL   6  -2.005   3.602  -1.762
   59   2HG2  VAL   6          2HG2      VAL   6  -3.431   4.290  -0.988
   60   3HG2  VAL   6          3HG2      VAL   6  -3.609   3.258  -2.406
   61    H    CYS   7           H        CYS   7  -2.918   4.175   0.897
   62    HA   CYS   7           HA       CYS   7  -0.690   5.508   1.993
   63   1HB   CYS   7          2HB       CYS   7   0.004   5.647  -0.365
   64   2HB   CYS   7          1HB       CYS   7  -1.518   6.437  -0.765
   65    H    TYR   8           H        TYR   8  -1.618   6.644   3.539
   66    HA   TYR   8           HA       TYR   8  -3.962   8.282   2.888
   67   1HB   TYR   8          2HB       TYR   8  -3.740   6.574   5.375
   68   2HB   TYR   8          1HB       TYR   8  -5.077   7.641   4.960
   69    HD1  TYR   8           1HD      TYR   8  -4.602   4.419   5.372
   70    HD2  TYR   8           2HD      TYR   8  -5.545   7.024   2.142
   71    HE1  TYR   8           1HE      TYR   8  -5.714   2.561   4.206
   72    HE2  TYR   8           2HE      TYR   8  -6.660   5.176   0.968
   73    HH   TYR   8           HH       TYR   8  -6.309   1.946   1.870
   74    H    ARG   9           H        ARG   9  -4.301  10.073   4.324
   75    HA   ARG   9           HA       ARG   9  -3.654  11.857   5.574
   76   1HB   ARG   9          2HB       ARG   9  -2.577   9.590   6.929
   77   2HB   ARG   9          1HB       ARG   9  -1.386  10.881   6.998
   78   1HG   ARG   9          2HG       ARG   9  -2.566  11.413   8.850
   79   2HG   ARG   9          1HG       ARG   9  -3.537  12.293   7.669
   80   1HD   ARG   9          2HD       ARG   9  -5.096  11.112   8.961
   81   2HD   ARG   9          1HD       ARG   9  -4.932  10.168   7.480
   82    HE   ARG   9           HE       ARG   9  -3.115   9.102   9.250
   83   1HH1  ARG   9          1HH1      ARG   9  -6.570   9.582   9.168
   84   2HH1  ARG   9          2HH1      ARG   9  -6.911   8.198  10.153
   85   1HH2  ARG   9          1HH2      ARG   9  -3.560   7.282  10.543
   86   2HH2  ARG   9          2HH2      ARG   9  -5.202   6.892  10.933
   87    H    GLY  10           H        GLY  10  -0.610  10.113   4.942
   88   1HA   GLY  10          2HA       GLY  10   0.263  12.072   3.036
   89   2HA   GLY  10          1HA       GLY  10   1.067  12.243   4.587
   90    H    ILE  11           H        ILE  11   0.943   9.269   5.021
   91    HA   ILE  11           HA       ILE  11   3.359   8.666   3.526
   92    HB   ILE  11           HB       ILE  11   2.485   8.080   6.123
   93   1HG1  ILE  11          2HG1      ILE  11   4.769   8.509   5.650
   94   2HG1  ILE  11          1HG1      ILE  11   4.700   6.849   6.232
   95   1HG2  ILE  11          1HG2      ILE  11   2.780   5.513   4.569
   96   2HG2  ILE  11          2HG2      ILE  11   1.270   6.134   5.236
   97   3HG2  ILE  11          3HG2      ILE  11   2.586   5.671   6.316
   98   1HD1  ILE  11          1HD1      ILE  11   6.138   6.735   4.425
   99   2HD1  ILE  11          2HD1      ILE  11   5.176   7.856   3.462
  100   3HD1  ILE  11          3HD1      ILE  11   4.597   6.216   3.742
  101    H    CYS  12           H        CYS  12   3.620   6.903   2.159
  102    HA   CYS  12           HA       CYS  12   1.128   5.579   1.320
  103   1HB   CYS  12          2HB       CYS  12   3.484   6.233  -0.453
  104   2HB   CYS  12          1HB       CYS  12   1.956   5.524  -0.956
  105    H    TYR  13           H        TYR  13   1.234   3.623   2.235
  106    HA   TYR  13           HA       TYR  13   3.513   1.931   1.516
  107   1HB   TYR  13          2HB       TYR  13   2.612   2.632   4.250
  108   2HB   TYR  13          1HB       TYR  13   2.984   0.934   3.968
  109    HD1  TYR  13           1HD      TYR  13   4.343   4.310   4.219
  110    HD2  TYR  13           2HD      TYR  13   5.261   0.236   3.412
  111    HE1  TYR  13           1HE      TYR  13   6.737   4.802   4.496
  112    HE2  TYR  13           2HE      TYR  13   7.656   0.715   3.687
  113    HH   TYR  13           HH       TYR  13   8.887   3.902   3.853
  114    H    ARG  14           H        ARG  14   3.003  -0.421   1.873
  115    HA   ARG  14           HA       ARG  14   0.139  -1.017   1.784
  116   1HB   ARG  14          2HB       ARG  14   0.914  -0.736  -0.558
  117   2HB   ARG  14          1HB       ARG  14   2.096  -2.012  -0.295
  118   1HG   ARG  14          2HG       ARG  14  -0.549  -2.889   0.443
  119   2HG   ARG  14          1HG       ARG  14  -0.514  -2.291  -1.217
  120   1HD   ARG  14          2HD       ARG  14   1.789  -3.942  -0.640
  121   2HD   ARG  14          1HD       ARG  14   0.285  -4.803  -0.315
  122    HE   ARG  14           HE       ARG  14   0.079  -3.530  -2.805
  123   1HH1  ARG  14          1HH1      ARG  14   1.811  -6.150  -1.284
  124   2HH1  ARG  14          2HH1      ARG  14   1.986  -7.051  -2.752
  125   1HH2  ARG  14          1HH2      ARG  14   0.307  -4.714  -4.737
  126   2HH2  ARG  14          2HH2      ARG  14   1.133  -6.237  -4.712
  127    H    ARG  15           H        ARG  15   0.286  -2.037   3.766
  128    HA   ARG  15           HA       ARG  15   1.494  -4.688   3.679
  129   1HB   ARG  15          2HB       ARG  15   2.027  -2.818   5.990
  130   2HB   ARG  15          1HB       ARG  15   2.646  -4.450   5.785
  131   1HG   ARG  15          2HG       ARG  15   3.301  -2.150   3.959
  132   2HG   ARG  15          1HG       ARG  15   4.304  -2.668   5.315
  133   1HD   ARG  15          2HD       ARG  15   5.039  -4.519   4.242
  134   2HD   ARG  15          1HD       ARG  15   3.510  -4.771   3.403
  135    HE   ARG  15           HE       ARG  15   4.403  -3.686   1.616
  136   1HH1  ARG  15          1HH1      ARG  15   6.116  -2.645   4.473
  137   2HH1  ARG  15          2HH1      ARG  15   7.239  -1.663   3.593
  138   1HH2  ARG  15          1HH2      ARG  15   5.879  -2.394   0.458
  139   2HH2  ARG  15          2HH2      ARG  15   7.104  -1.520   1.314
  140    H    CYS  16           H        CYS  16   0.217  -6.178   4.581
  141    HA   CYS  16           HA       CYS  16  -2.177  -5.252   5.987
  142   1HB   CYS  16          2HB       CYS  16  -2.301  -6.802   3.973
  143   2HB   CYS  16          1HB       CYS  16  -1.617  -8.052   5.008
  144    H    ARG  17           H        ARG  17  -1.012  -4.817   7.962
  145    HA   ARG  17           HA       ARG  17  -0.404  -5.306  10.098
  146   1HB   ARG  17          2HB       ARG  17  -2.472  -6.620  10.117
  147   2HB   ARG  17          1HB       ARG  17  -1.613  -8.002   9.450
  148   1HG   ARG  17          2HG       ARG  17  -1.879  -8.368  11.781
  149   2HG   ARG  17          1HG       ARG  17  -0.178  -7.998  11.493
  150   1HD   ARG  17          2HD       ARG  17  -0.986  -5.539  11.993
  151   2HD   ARG  17          1HD       ARG  17  -2.277  -6.380  12.849
  152    HE   ARG  17           HE       ARG  17  -0.763  -7.012  14.455
  153   1HH1  ARG  17          1HH1      ARG  17   0.958  -5.768  11.685
  154   2HH1  ARG  17          2HH1      ARG  17   2.490  -5.743  12.492
  155   1HH2  ARG  17          1HH2      ARG  17   1.249  -6.979  15.518
  156   2HH2  ARG  17          2HH2      ARG  17   2.655  -6.431  14.668
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1  -0.869 -10.378  11.864
    2   2H    LYS   1          2HT       LYS   1  -0.387  -8.756  11.576
    3   3H    LYS   1          3HT       LYS   1   0.598 -10.056  11.039
    4    HA   LYS   1           HA       LYS   1  -0.868 -10.669   9.406
    5   1HB   LYS   1          2HB       LYS   1  -3.133  -9.684   9.261
    6   2HB   LYS   1          1HB       LYS   1  -2.886 -10.570  10.759
    7   1HG   LYS   1          2HG       LYS   1  -3.199  -8.755  12.023
    8   2HG   LYS   1          1HG       LYS   1  -2.237  -7.729  10.956
    9   1HD   LYS   1          2HD       LYS   1  -4.235  -6.775  10.513
   10   2HD   LYS   1          1HD       LYS   1  -4.406  -8.139   9.404
   11   1HE   LYS   1          2HE       LYS   1  -5.215  -8.679  12.178
   12   2HE   LYS   1          1HE       LYS   1  -6.197  -7.480  11.337
   13   1HZ   LYS   1          1HZ       LYS   1  -6.550  -9.082   9.556
   14   2HZ   LYS   1          2HZ       LYS   1  -7.087  -9.697  11.036
   15   3HZ   LYS   1          3HZ       LYS   1  -5.624 -10.233  10.382
   16    H    TRP   2           H        TRP   2  -0.603  -9.761   7.438
   17    HA   TRP   2           HA       TRP   2   0.182  -6.926   7.359
   18   1HB   TRP   2          2HB       TRP   2   1.377  -9.290   6.293
   19   2HB   TRP   2          1HB       TRP   2   0.880  -8.275   4.944
   20    HD1  TRP   2           HD       TRP   2   3.175  -7.382   4.178
   21    HE1  TRP   2           1HE      TRP   2   5.015  -5.947   5.257
   22    HE3  TRP   2           3HE      TRP   2   1.468  -7.334   9.014
   23    HZ2  TRP   2           2HZ      TRP   2   5.664  -4.932   7.800
   24    HZ3  TRP   2           3HZ      TRP   2   2.766  -6.107  10.700
   25    HH2  TRP   2           HH       TRP   2   4.820  -4.930  10.106
   26    H    CYS   3           H        CYS   3  -1.087  -5.522   6.247
   27    HA   CYS   3           HA       CYS   3  -2.388  -5.958   3.871
   28   1HB   CYS   3          2HB       CYS   3  -4.814  -5.997   4.909
   29   2HB   CYS   3          1HB       CYS   3  -3.933  -7.490   4.613
   30    H    PHE   4           H        PHE   4  -1.222  -3.811   4.181
   31    HA   PHE   4           HA       PHE   4  -3.270  -1.791   4.563
   32   1HB   PHE   4          2HB       PHE   4  -1.678  -2.273   6.698
   33   2HB   PHE   4          1HB       PHE   4  -0.714  -1.065   5.856
   34    HD1  PHE   4           1HD      PHE   4  -3.725  -1.701   7.772
   35    HD2  PHE   4           2HD      PHE   4  -1.607   1.191   5.478
   36    HE1  PHE   4           1HE      PHE   4  -5.138   0.077   8.718
   37    HE2  PHE   4           2HE      PHE   4  -3.014   2.974   6.422
   38    HZ   PHE   4           HZ       PHE   4  -4.781   2.419   8.045
   39    H    ARG   5           H        ARG   5  -2.914  -1.879   2.219
   40    HA   ARG   5           HA       ARG   5  -0.488  -0.448   1.370
   41   1HB   ARG   5          2HB       ARG   5  -1.377  -2.773   0.386
   42   2HB   ARG   5          1HB       ARG   5  -2.307  -1.682  -0.630
   43   1HG   ARG   5          2HG       ARG   5   0.690  -1.727  -0.345
   44   2HG   ARG   5          1HG       ARG   5  -0.243  -2.324  -1.719
   45   1HD   ARG   5          2HD       ARG   5  -1.174   0.225  -1.489
   46   2HD   ARG   5          1HD       ARG   5   0.506   0.417  -0.988
   47    HE   ARG   5           HE       ARG   5  -0.436  -0.009  -3.624
   48   1HH1  ARG   5          1HH1      ARG   5   2.186  -0.853  -1.482
   49   2HH1  ARG   5          2HH1      ARG   5   3.330  -1.071  -2.764
   50   1HH2  ARG   5          1HH2      ARG   5   1.066  -0.298  -5.312
   51   2HH2  ARG   5          2HH2      ARG   5   2.694  -0.755  -4.937
   52    H    VAL   6           H        VAL   6  -1.198   1.642   1.857
   53    HA   VAL   6           HA       VAL   6  -2.689   2.930  -0.178
   54    HB   VAL   6           HB       VAL   6  -4.602   1.956   1.009
   55   1HG1  VAL   6          1HG1      VAL   6  -3.250   2.145   3.268
   56   2HG1  VAL   6          2HG1      VAL   6  -5.014   2.162   3.248
   57   3HG1  VAL   6          3HG1      VAL   6  -4.120   3.676   3.387
   58   1HG2  VAL   6          1HG2      VAL   6  -4.525   4.914   1.556
   59   2HG2  VAL   6          2HG2      VAL   6  -5.918   3.918   1.134
   60   3HG2  VAL   6          3HG2      VAL   6  -4.671   4.243  -0.068
   61    H    CYS   7           H        CYS   7  -2.839   5.252   0.137
   62    HA   CYS   7           HA       CYS   7  -0.620   6.225   1.744
   63   1HB   CYS   7          2HB       CYS   7  -2.092   7.167  -0.631
   64   2HB   CYS   7          1HB       CYS   7  -1.554   8.431   0.469
   65    H    TYR   8           H        TYR   8  -1.267   6.348   3.831
   66    HA   TYR   8           HA       TYR   8  -3.784   7.634   4.510
   67   1HB   TYR   8          2HB       TYR   8  -2.079   5.712   5.749
   68   2HB   TYR   8          1HB       TYR   8  -2.211   7.095   6.829
   69    HD1  TYR   8           1HD      TYR   8  -4.770   5.718   4.504
   70    HD2  TYR   8           2HD      TYR   8  -3.593   6.325   8.548
   71    HE1  TYR   8           1HE      TYR   8  -6.967   4.911   5.259
   72    HE2  TYR   8           2HE      TYR   8  -5.787   5.519   9.313
   73    HH   TYR   8           HH       TYR   8  -7.618   4.047   8.435
   74    H    ARG   9           H        ARG   9  -3.965   9.727   4.949
   75    HA   ARG   9           HA       ARG   9  -3.481  11.864   5.565
   76   1HB   ARG   9          2HB       ARG   9  -2.409  10.682   7.540
   77   2HB   ARG   9          1HB       ARG   9  -0.876  10.838   6.691
   78   1HG   ARG   9          2HG       ARG   9  -0.648  12.801   7.695
   79   2HG   ARG   9          1HG       ARG   9  -1.929  13.398   6.638
   80   1HD   ARG   9          2HD       ARG   9  -2.473  13.926   8.927
   81   2HD   ARG   9          1HD       ARG   9  -3.594  12.704   8.329
   82    HE   ARG   9           HE       ARG   9  -1.672  11.230   9.522
   83   1HH1  ARG   9          1HH1      ARG   9  -3.583  13.950  10.585
   84   2HH1  ARG   9          2HH1      ARG   9  -3.568  13.470  12.249
   85   1HH2  ARG   9          1HH2      ARG   9  -1.653  10.596  11.711
   86   2HH2  ARG   9          2HH2      ARG   9  -2.473  11.567  12.887
   87    H    GLY  10           H        GLY  10  -0.264  10.496   4.824
   88   1HA   GLY  10          2HA       GLY  10  -0.115  11.816   2.291
   89   2HA   GLY  10          1HA       GLY  10   0.805  12.668   3.523
   90    H    ILE  11           H        ILE  11   0.378   9.175   3.314
   91    HA   ILE  11           HA       ILE  11   2.914   8.708   2.078
   92    HB   ILE  11           HB       ILE  11   3.595   9.375   4.383
   93   1HG1  ILE  11          2HG1      ILE  11   4.885   7.782   2.893
   94   2HG1  ILE  11          1HG1      ILE  11   5.245   7.684   4.613
   95   1HG2  ILE  11          1HG2      ILE  11   1.710   8.523   5.629
   96   2HG2  ILE  11          2HG2      ILE  11   3.202   7.797   6.227
   97   3HG2  ILE  11          3HG2      ILE  11   2.126   6.868   5.183
   98   1HD1  ILE  11          1HD1      ILE  11   4.942   5.499   4.434
   99   2HD1  ILE  11          2HD1      ILE  11   4.270   5.658   2.812
  100   3HD1  ILE  11          3HD1      ILE  11   3.223   5.825   4.221
  101    H    CYS  12           H        CYS  12   2.926   6.749   1.148
  102    HA   CYS  12           HA       CYS  12   0.643   5.017   1.588
  103   1HB   CYS  12          2HB       CYS  12   2.762   5.253  -0.500
  104   2HB   CYS  12          1HB       CYS  12   1.928   3.713  -0.320
  105    H    TYR  13           H        TYR  13   0.736   3.622   3.201
  106    HA   TYR  13           HA       TYR  13   3.289   2.452   3.981
  107   1HB   TYR  13          2HB       TYR  13   0.574   2.608   5.251
  108   2HB   TYR  13          1HB       TYR  13   1.749   1.425   5.815
  109    HD1  TYR  13           1HD      TYR  13   0.599   4.763   6.119
  110    HD2  TYR  13           2HD      TYR  13   4.084   2.349   6.480
  111    HE1  TYR  13           1HE      TYR  13   1.633   6.480   7.542
  112    HE2  TYR  13           2HE      TYR  13   5.130   4.059   7.904
  113    HH   TYR  13           HH       TYR  13   3.793   7.204   8.282
  114    H    ARG  14           H        ARG  14   3.354   0.120   4.495
  115    HA   ARG  14           HA       ARG  14   1.548  -1.543   2.914
  116   1HB   ARG  14          2HB       ARG  14   3.419  -1.031   1.415
  117   2HB   ARG  14          1HB       ARG  14   4.559  -1.593   2.629
  118   1HG   ARG  14          2HG       ARG  14   4.262  -3.275   0.930
  119   2HG   ARG  14          1HG       ARG  14   3.601  -3.850   2.461
  120   1HD   ARG  14          2HD       ARG  14   1.453  -2.598   1.268
  121   2HD   ARG  14          1HD       ARG  14   2.278  -3.368  -0.086
  122    HE   ARG  14           HE       ARG  14   1.861  -5.070   2.211
  123   1HH1  ARG  14          1HH1      ARG  14   0.575  -3.948  -0.835
  124   2HH1  ARG  14          2HH1      ARG  14  -0.454  -5.325  -1.049
  125   1HH2  ARG  14          1HH2      ARG  14   0.512  -6.878   1.930
  126   2HH2  ARG  14          2HH2      ARG  14  -0.489  -6.988   0.521
  127    H    ARG  15           H        ARG  15   0.970  -1.846   5.267
  128    HA   ARG  15           HA       ARG  15   1.772  -4.361   6.160
  129   1HB   ARG  15          2HB       ARG  15   2.976  -3.649   8.268
  130   2HB   ARG  15          1HB       ARG  15   3.893  -3.494   6.775
  131   1HG   ARG  15          2HG       ARG  15   4.343  -1.417   7.414
  132   2HG   ARG  15          1HG       ARG  15   2.660  -1.037   7.040
  133   1HD   ARG  15          2HD       ARG  15   3.102  -0.264   9.253
  134   2HD   ARG  15          1HD       ARG  15   2.079  -1.694   9.381
  135    HE   ARG  15           HE       ARG  15   3.791  -2.788  10.443
  136   1HH1  ARG  15          1HH1      ARG  15   5.037   0.120   8.971
  137   2HH1  ARG  15          2HH1      ARG  15   6.582  -0.003   9.742
  138   1HH2  ARG  15          1HH2      ARG  15   5.823  -2.952  11.457
  139   2HH2  ARG  15          2HH2      ARG  15   7.029  -1.746  11.153
  140    H    CYS  16           H        CYS  16   0.196  -5.108   7.440
  141    HA   CYS  16           HA       CYS  16  -1.924  -3.382   8.258
  142   1HB   CYS  16          2HB       CYS  16  -1.571  -6.190   7.931
  143   2HB   CYS  16          1HB       CYS  16  -2.139  -5.912   9.566
  144    H    ARG  17           H        ARG  17  -2.648  -4.503  10.756
  145    HA   ARG  17           HA       ARG  17  -0.607  -4.506  12.662
  146   1HB   ARG  17          2HB       ARG  17  -1.535  -1.852  11.829
  147   2HB   ARG  17          1HB       ARG  17  -1.636  -2.111  13.566
  148   1HG   ARG  17          2HG       ARG  17   0.575  -1.994  13.826
  149   2HG   ARG  17          1HG       ARG  17   0.888  -3.006  12.415
  150   1HD   ARG  17          2HD       ARG  17   1.824  -0.901  11.914
  151   2HD   ARG  17          1HD       ARG  17   0.315  -0.984  11.005
  152    HE   ARG  17           HE       ARG  17  -0.053   0.250  13.544
  153   1HH1  ARG  17          1HH1      ARG  17   1.119   0.829  10.308
  154   2HH1  ARG  17          2HH1      ARG  17   0.815   2.532  10.369
  155   1HH2  ARG  17          1HH2      ARG  17  -0.453   2.490  13.626
  156   2HH2  ARG  17          2HH2      ARG  17  -0.076   3.476  12.253
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1  -7.154  -8.535  -5.808
    2   2H    LYS   1          2HT       LYS   1  -8.723  -8.254  -5.171
    3   3H    LYS   1          3HT       LYS   1  -7.385  -8.440  -4.112
    4    HA   LYS   1           HA       LYS   1  -7.894  -6.245  -5.992
    5   1HB   LYS   1          2HB       LYS   1  -8.414  -6.756  -3.179
    6   2HB   LYS   1          1HB       LYS   1  -7.453  -5.304  -3.411
    7   1HG   LYS   1          2HG       LYS   1  -9.485  -5.151  -5.318
    8   2HG   LYS   1          1HG       LYS   1 -10.262  -5.732  -3.844
    9   1HD   LYS   1          2HD       LYS   1 -10.295  -3.296  -3.940
   10   2HD   LYS   1          1HD       LYS   1  -9.293  -3.858  -2.599
   11   1HE   LYS   1          2HE       LYS   1  -8.345  -1.960  -3.972
   12   2HE   LYS   1          1HE       LYS   1  -7.295  -3.358  -3.753
   13   1HZ   LYS   1          1HZ       LYS   1  -7.492  -3.965  -5.930
   14   2HZ   LYS   1          2HZ       LYS   1  -7.627  -2.286  -6.095
   15   3HZ   LYS   1          3HZ       LYS   1  -9.014  -3.254  -6.126
   16    H    TRP   2           H        TRP   2  -5.912  -6.529  -3.118
   17    HA   TRP   2           HA       TRP   2  -3.405  -6.800  -4.298
   18   1HB   TRP   2          2HB       TRP   2  -4.530  -4.193  -4.667
   19   2HB   TRP   2          1HB       TRP   2  -3.162  -4.056  -3.571
   20    HD1  TRP   2           HD       TRP   2  -3.219  -6.603  -6.442
   21    HE1  TRP   2           1HE      TRP   2  -1.371  -5.981  -8.123
   22    HE3  TRP   2           3HE      TRP   2  -1.751  -2.139  -4.425
   23    HZ2  TRP   2           2HZ      TRP   2   0.463  -3.879  -8.540
   24    HZ3  TRP   2           3HZ      TRP   2   0.058  -0.885  -5.528
   25    HH2  TRP   2           HH       TRP   2   1.141  -1.740  -7.542
   26    H    CYS   3           H        CYS   3  -1.864  -5.106  -2.639
   27    HA   CYS   3           HA       CYS   3  -1.777  -6.574  -0.274
   28   1HB   CYS   3          2HB       CYS   3  -0.174  -4.692  -1.462
   29   2HB   CYS   3          1HB       CYS   3  -0.744  -3.837  -0.035
   30    H    PHE   4           H        PHE   4  -1.554  -4.745   1.810
   31    HA   PHE   4           HA       PHE   4  -4.227  -3.562   2.056
   32   1HB   PHE   4          2HB       PHE   4  -3.776  -5.960   3.158
   33   2HB   PHE   4          1HB       PHE   4  -3.136  -4.948   4.449
   34    HD1  PHE   4           1HD      PHE   4  -4.584  -3.514   5.739
   35    HD2  PHE   4           2HD      PHE   4  -6.128  -5.932   2.597
   36    HE1  PHE   4           1HE      PHE   4  -6.867  -3.135   6.574
   37    HE2  PHE   4           2HE      PHE   4  -8.412  -5.559   3.426
   38    HZ   PHE   4           HZ       PHE   4  -8.785  -4.159   5.418
   39    H    ARG   5           H        ARG   5  -1.644  -2.346   1.600
   40    HA   ARG   5           HA       ARG   5  -0.665  -1.255   4.045
   41   1HB   ARG   5          2HB       ARG   5  -0.223  -0.617   1.156
   42   2HB   ARG   5          1HB       ARG   5   0.434   0.414   2.417
   43   1HG   ARG   5          2HG       ARG   5   1.040  -2.498   1.971
   44   2HG   ARG   5          1HG       ARG   5   2.116  -1.127   1.691
   45   1HD   ARG   5          2HD       ARG   5   1.238  -0.904   4.351
   46   2HD   ARG   5          1HD       ARG   5   1.633  -2.604   4.110
   47    HE   ARG   5           HE       ARG   5   3.687  -0.959   3.073
   48   1HH1  ARG   5          1HH1      ARG   5   2.350  -2.086   6.093
   49   2HH1  ARG   5          2HH1      ARG   5   3.850  -1.953   6.949
   50   1HH2  ARG   5          1HH2      ARG   5   5.660  -0.781   4.197
   51   2HH2  ARG   5          2HH2      ARG   5   5.729  -1.211   5.874
   52    H    VAL   6           H        VAL   6  -1.956   0.502   1.299
   53    HA   VAL   6           HA       VAL   6  -3.793   1.959   1.218
   54    HB   VAL   6           HB       VAL   6  -3.472   2.378   4.195
   55   1HG1  VAL   6          1HG1      VAL   6  -5.763   3.352   3.964
   56   2HG1  VAL   6          2HG1      VAL   6  -5.561   3.259   2.214
   57   3HG1  VAL   6          3HG1      VAL   6  -4.488   4.278   3.174
   58   1HG2  VAL   6          1HG2      VAL   6  -4.786   0.619   4.615
   59   2HG2  VAL   6          2HG2      VAL   6  -4.435   0.100   2.966
   60   3HG2  VAL   6          3HG2      VAL   6  -5.894   1.032   3.305
   61    H    CYS   7           H        CYS   7  -3.508   3.964   0.477
   62    HA   CYS   7           HA       CYS   7  -1.153   5.440   1.446
   63   1HB   CYS   7          2HB       CYS   7  -2.306   5.160  -1.315
   64   2HB   CYS   7          1HB       CYS   7  -1.265   6.516  -0.896
   65    H    TYR   8           H        TYR   8  -1.878   6.940   2.795
   66    HA   TYR   8           HA       TYR   8  -3.511   9.068   1.794
   67   1HB   TYR   8          2HB       TYR   8  -4.607   7.143   3.830
   68   2HB   TYR   8          1HB       TYR   8  -5.137   8.822   3.798
   69    HD1  TYR   8           1HD      TYR   8  -6.184   5.741   2.914
   70    HD2  TYR   8           2HD      TYR   8  -5.519   9.531   1.096
   71    HE1  TYR   8           1HE      TYR   8  -7.818   5.183   1.162
   72    HE2  TYR   8           2HE      TYR   8  -7.151   8.982  -0.659
   73    HH   TYR   8           HH       TYR   8  -8.058   6.258  -1.541
   74    H    ARG   9           H        ARG   9  -3.772  10.807   3.473
   75    HA   ARG   9           HA       ARG   9  -2.869  12.222   5.007
   76   1HB   ARG   9          2HB       ARG   9  -1.753   9.719   6.286
   77   2HB   ARG   9          1HB       ARG   9  -1.947  11.287   7.056
   78   1HG   ARG   9          2HG       ARG   9  -4.067  10.881   7.572
   79   2HG   ARG   9          1HG       ARG   9  -4.437  10.322   5.940
   80   1HD   ARG   9          2HD       ARG   9  -2.803   8.398   7.324
   81   2HD   ARG   9          1HD       ARG   9  -4.237   8.784   8.273
   82    HE   ARG   9           HE       ARG   9  -4.139   7.421   5.723
   83   1HH1  ARG   9          1HH1      ARG   9  -6.132   9.106   8.043
   84   2HH1  ARG   9          2HH1      ARG   9  -7.605   8.387   7.486
   85   1HH2  ARG   9          1HH2      ARG   9  -6.081   6.483   4.984
   86   2HH2  ARG   9          2HH2      ARG   9  -7.576   6.900   5.750
   87    H    GLY  10           H        GLY  10  -0.226  11.582   6.403
   88   1HA   GLY  10          2HA       GLY  10   1.443  12.553   4.224
   89   2HA   GLY  10          1HA       GLY  10   1.860  12.539   5.930
   90    H    ILE  11           H        ILE  11   0.601   9.620   4.572
   91    HA   ILE  11           HA       ILE  11   3.242   8.549   4.015
   92    HB   ILE  11           HB       ILE  11   2.776   8.216   6.478
   93   1HG1  ILE  11          2HG1      ILE  11   3.618   5.927   6.484
   94   2HG1  ILE  11          1HG1      ILE  11   3.091   5.708   4.817
   95   1HG2  ILE  11          1HG2      ILE  11   0.288   7.466   5.674
   96   2HG2  ILE  11          2HG2      ILE  11   0.995   7.099   7.247
   97   3HG2  ILE  11          3HG2      ILE  11   1.059   5.904   5.952
   98   1HD1  ILE  11          1HD1      ILE  11   4.972   6.571   4.044
   99   2HD1  ILE  11          2HD1      ILE  11   5.581   6.565   5.700
  100   3HD1  ILE  11          3HD1      ILE  11   4.797   8.007   5.052
  101    H    CYS  12           H        CYS  12   3.228   6.976   2.480
  102    HA   CYS  12           HA       CYS  12   0.665   5.755   1.764
  103   1HB   CYS  12          2HB       CYS  12   0.649   7.442   0.171
  104   2HB   CYS  12          1HB       CYS  12   2.400   7.464   0.024
  105    H    TYR  13           H        TYR  13   0.802   3.647   1.402
  106    HA   TYR  13           HA       TYR  13   3.274   2.467   0.416
  107   1HB   TYR  13          2HB       TYR  13   2.032   1.735   3.073
  108   2HB   TYR  13          1HB       TYR  13   3.209   0.729   2.236
  109    HD1  TYR  13           1HD      TYR  13   2.868   3.028   4.773
  110    HD2  TYR  13           2HD      TYR  13   5.365   2.195   1.433
  111    HE1  TYR  13           1HE      TYR  13   4.691   4.298   5.829
  112    HE2  TYR  13           2HE      TYR  13   7.196   3.462   2.477
  113    HH   TYR  13           HH       TYR  13   7.375   5.355   4.203
  114    H    ARG  14           H        ARG  14   3.006   0.304  -0.373
  115    HA   ARG  14           HA       ARG  14   0.558  -1.087  -0.333
  116   1HB   ARG  14          2HB       ARG  14   0.196   1.056  -1.842
  117   2HB   ARG  14          1HB       ARG  14   0.988   0.056  -3.051
  118   1HG   ARG  14          2HG       ARG  14  -1.193  -0.464  -3.454
  119   2HG   ARG  14          1HG       ARG  14  -0.789  -1.718  -2.280
  120   1HD   ARG  14          2HD       ARG  14  -1.571   0.316  -0.652
  121   2HD   ARG  14          1HD       ARG  14  -2.613   0.571  -2.051
  122    HE   ARG  14           HE       ARG  14  -2.584  -2.157  -1.223
  123   1HH1  ARG  14          1HH1      ARG  14  -3.959   0.969  -0.506
  124   2HH1  ARG  14          2HH1      ARG  14  -5.379   0.313   0.236
  125   1HH2  ARG  14          1HH2      ARG  14  -4.450  -3.023  -0.252
  126   2HH2  ARG  14          2HH2      ARG  14  -5.658  -1.955   0.381
  127    H    ARG  15           H        ARG  15   2.037  -2.765   0.065
  128    HA   ARG  15           HA       ARG  15   3.971  -3.462  -1.977
  129   1HB   ARG  15          2HB       ARG  15   3.174  -4.822   0.604
  130   2HB   ARG  15          1HB       ARG  15   4.436  -5.413  -0.464
  131   1HG   ARG  15          2HG       ARG  15   5.775  -4.235   0.888
  132   2HG   ARG  15          1HG       ARG  15   5.269  -2.881  -0.121
  133   1HD   ARG  15          2HD       ARG  15   5.142  -2.532   2.384
  134   2HD   ARG  15          1HD       ARG  15   3.687  -2.157   1.464
  135    HE   ARG  15           HE       ARG  15   2.599  -3.864   2.540
  136   1HH1  ARG  15          1HH1      ARG  15   6.028  -4.156   3.111
  137   2HH1  ARG  15          2HH1      ARG  15   5.852  -5.408   4.295
  138   1HH2  ARG  15          1HH2      ARG  15   2.363  -5.511   4.094
  139   2HH2  ARG  15          2HH2      ARG  15   3.769  -6.179   4.853
  140    H    CYS  16           H        CYS  16   3.365  -6.438  -1.333
  141    HA   CYS  16           HA       CYS  16   2.434  -8.129  -2.546
  142   1HB   CYS  16          2HB       CYS  16  -0.106  -6.548  -2.163
  143   2HB   CYS  16          1HB       CYS  16   0.053  -8.292  -2.347
  144    H    ARG  17           H        ARG  17   3.487  -6.005  -4.163
  145    HA   ARG  17           HA       ARG  17   1.799  -5.181  -6.224
  146   1HB   ARG  17          2HB       ARG  17   4.310  -4.602  -5.607
  147   2HB   ARG  17          1HB       ARG  17   4.651  -5.835  -6.813
  148   1HG   ARG  17          2HG       ARG  17   2.791  -3.574  -7.421
  149   2HG   ARG  17          1HG       ARG  17   4.541  -3.376  -7.548
  150   1HD   ARG  17          2HD       ARG  17   3.322  -5.751  -8.837
  151   2HD   ARG  17          1HD       ARG  17   3.048  -4.183  -9.594
  152    HE   ARG  17           HE       ARG  17   5.472  -5.682  -9.584
  153   1HH1  ARG  17          1HH1      ARG  17   4.193  -2.436  -9.625
  154   2HH1  ARG  17          2HH1      ARG  17   5.585  -1.764 -10.405
  155   1HH2  ARG  17          1HH2      ARG  17   7.303  -4.801 -10.610
  156   2HH2  ARG  17          2HH2      ARG  17   7.351  -3.106 -10.966
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1  -7.004  -8.701  10.988
    2   2H    LYS   1          2HT       LYS   1  -8.188  -9.678  10.218
    3   3H    LYS   1          3HT       LYS   1  -7.241  -8.583   9.295
    4    HA   LYS   1           HA       LYS   1  -6.266 -10.946  10.739
    5   1HB   LYS   1          2HB       LYS   1  -7.638 -11.345   8.685
    6   2HB   LYS   1          1HB       LYS   1  -6.472 -10.389   7.781
    7   1HG   LYS   1          2HG       LYS   1  -4.843 -12.193   8.981
    8   2HG   LYS   1          1HG       LYS   1  -6.306 -13.151   8.746
    9   1HD   LYS   1          2HD       LYS   1  -5.247 -11.493   6.497
   10   2HD   LYS   1          1HD       LYS   1  -4.487 -13.040   6.872
   11   1HE   LYS   1          2HE       LYS   1  -6.051 -13.919   5.532
   12   2HE   LYS   1          1HE       LYS   1  -7.141 -13.688   6.898
   13   1HZ   LYS   1          1HZ       LYS   1  -8.200 -12.715   5.068
   14   2HZ   LYS   1          2HZ       LYS   1  -6.792 -11.951   4.528
   15   3HZ   LYS   1          3HZ       LYS   1  -7.563 -11.407   5.932
   16    H    TRP   2           H        TRP   2  -5.381  -8.776   8.110
   17    HA   TRP   2           HA       TRP   2  -3.135  -7.638   9.320
   18   1HB   TRP   2          2HB       TRP   2  -2.593 -10.251   8.815
   19   2HB   TRP   2          1HB       TRP   2  -2.061  -9.516   7.305
   20    HD1  TRP   2           HD       TRP   2  -1.032  -6.769   8.866
   21    HE1  TRP   2           1HE      TRP   2   1.246  -6.899  10.056
   22    HE3  TRP   2           3HE      TRP   2  -0.639 -11.847   9.314
   23    HZ2  TRP   2           2HZ      TRP   2   2.979  -8.891  11.055
   24    HZ3  TRP   2           3HZ      TRP   2   1.361 -12.784  10.399
   25    HH2  TRP   2           HH       TRP   2   3.131 -11.335  11.250
   26    H    CYS   3           H        CYS   3  -1.467  -7.661   6.874
   27    HA   CYS   3           HA       CYS   3  -1.263  -6.603   4.869
   28   1HB   CYS   3          2HB       CYS   3  -3.959  -7.604   4.811
   29   2HB   CYS   3          1HB       CYS   3  -3.912  -6.014   4.060
   30    H    PHE   4           H        PHE   4  -0.763  -4.529   4.541
   31    HA   PHE   4           HA       PHE   4  -2.520  -2.414   5.491
   32   1HB   PHE   4          2HB       PHE   4  -0.624  -1.284   6.679
   33   2HB   PHE   4          1HB       PHE   4  -1.172  -2.767   7.452
   34    HD1  PHE   4           1HD      PHE   4   0.131  -4.939   6.632
   35    HD2  PHE   4           2HD      PHE   4   1.634  -0.960   6.465
   36    HE1  PHE   4           1HE      PHE   4   2.429  -5.813   6.582
   37    HE2  PHE   4           2HE      PHE   4   3.934  -1.827   6.413
   38    HZ   PHE   4           HZ       PHE   4   4.336  -4.257   6.473
   39    H    ARG   5           H        ARG   5  -2.698  -2.114   3.183
   40    HA   ARG   5           HA       ARG   5  -0.431  -0.580   2.107
   41   1HB   ARG   5          2HB       ARG   5  -0.434  -2.778   1.035
   42   2HB   ARG   5          1HB       ARG   5  -2.120  -2.569   0.581
   43   1HG   ARG   5          2HG       ARG   5  -0.924  -0.336  -0.479
   44   2HG   ARG   5          1HG       ARG   5   0.300  -1.586  -0.702
   45   1HD   ARG   5          2HD       ARG   5  -0.841  -2.446  -2.402
   46   2HD   ARG   5          1HD       ARG   5  -2.265  -2.652  -1.381
   47    HE   ARG   5           HE       ARG   5  -2.344  -0.028  -2.024
   48   1HH1  ARG   5          1HH1      ARG   5  -2.044  -2.937  -3.927
   49   2HH1  ARG   5          2HH1      ARG   5  -2.842  -2.265  -5.308
   50   1HH2  ARG   5          1HH2      ARG   5  -3.394   0.858  -3.842
   51   2HH2  ARG   5          2HH2      ARG   5  -3.608  -0.110  -5.260
   52    H    VAL   6           H        VAL   6  -1.080   1.447   1.903
   53    HA   VAL   6           HA       VAL   6  -3.152   2.261   0.219
   54    HB   VAL   6           HB       VAL   6  -4.630   1.411   2.001
   55   1HG1  VAL   6          1HG1      VAL   6  -4.497   3.295   4.012
   56   2HG1  VAL   6          2HG1      VAL   6  -2.806   2.918   3.685
   57   3HG1  VAL   6          3HG1      VAL   6  -3.930   1.627   4.106
   58   1HG2  VAL   6          1HG2      VAL   6  -5.935   3.532   2.326
   59   2HG2  VAL   6          2HG2      VAL   6  -5.502   3.166   0.655
   60   3HG2  VAL   6          3HG2      VAL   6  -4.600   4.388   1.554
   61    H    CYS   7           H        CYS   7  -3.165   4.500  -0.099
   62    HA   CYS   7           HA       CYS   7  -0.949   5.892   1.219
   63   1HB   CYS   7          2HB       CYS   7  -2.388   6.415  -1.383
   64   2HB   CYS   7          1HB       CYS   7  -1.194   7.514  -0.701
   65    H    TYR   8           H        TYR   8  -1.576   6.980   2.954
   66    HA   TYR   8           HA       TYR   8  -3.471   9.119   2.695
   67   1HB   TYR   8          2HB       TYR   8  -4.115   6.719   4.407
   68   2HB   TYR   8          1HB       TYR   8  -4.827   8.302   4.699
   69    HD1  TYR   8           1HD      TYR   8  -5.597   5.278   3.406
   70    HD2  TYR   8           2HD      TYR   8  -5.608   9.362   2.216
   71    HE1  TYR   8           1HE      TYR   8  -7.348   4.784   1.753
   72    HE2  TYR   8           2HE      TYR   8  -7.361   8.881   0.559
   73    HH   TYR   8           HH       TYR   8  -9.304   6.624   0.539
   74    H    ARG   9           H        ARG   9  -3.679  10.322   4.819
   75    HA   ARG   9           HA       ARG   9  -2.733  11.414   6.568
   76   1HB   ARG   9          2HB       ARG   9  -1.698   8.648   6.899
   77   2HB   ARG   9          1HB       ARG   9  -0.915   9.919   7.829
   78   1HG   ARG   9          2HG       ARG   9  -2.568   9.088   9.245
   79   2HG   ARG   9          1HG       ARG   9  -3.262  10.571   8.586
   80   1HD   ARG   9          2HD       ARG   9  -4.843   8.650   8.636
   81   2HD   ARG   9          1HD       ARG   9  -4.593   9.330   7.029
   82    HE   ARG   9           HE       ARG   9  -3.652   7.347   6.369
   83   1HH1  ARG   9          1HH1      ARG   9  -3.872   7.398   9.851
   84   2HH1  ARG   9          2HH1      ARG   9  -3.423   5.735  10.028
   85   1HH2  ARG   9          1HH2      ARG   9  -3.060   5.160   6.601
   86   2HH2  ARG   9          2HH2      ARG   9  -2.962   4.465   8.184
   87    H    GLY  10           H        GLY  10  -1.254  10.970   3.797
   88   1HA   GLY  10          2HA       GLY  10   0.384  12.557   3.060
   89   2HA   GLY  10          1HA       GLY  10   1.107  12.494   4.657
   90    H    ILE  11           H        ILE  11   0.827   9.451   4.537
   91    HA   ILE  11           HA       ILE  11   3.265   9.042   2.945
   92    HB   ILE  11           HB       ILE  11   4.071   7.579   4.470
   93   1HG1  ILE  11          2HG1      ILE  11   2.399   5.849   4.138
   94   2HG1  ILE  11          1HG1      ILE  11   2.719   6.048   5.855
   95   1HG2  ILE  11          1HG2      ILE  11   3.897   9.322   5.954
   96   2HG2  ILE  11          2HG2      ILE  11   3.066   8.025   6.818
   97   3HG2  ILE  11          3HG2      ILE  11   2.134   9.264   5.982
   98   1HD1  ILE  11          1HD1      ILE  11   0.276   6.661   4.300
   99   2HD1  ILE  11          2HD1      ILE  11   0.654   7.674   5.694
  100   3HD1  ILE  11          3HD1      ILE  11   0.458   5.933   5.895
  101    H    CYS  12           H        CYS  12   3.459   6.564   2.335
  102    HA   CYS  12           HA       CYS  12   0.910   5.711   1.152
  103   1HB   CYS  12          2HB       CYS  12   3.490   6.273  -0.175
  104   2HB   CYS  12          1HB       CYS  12   2.690   4.785  -0.672
  105    H    TYR  13           H        TYR  13   0.846   4.369   3.076
  106    HA   TYR  13           HA       TYR  13   2.678   2.472   3.855
  107   1HB   TYR  13          2HB       TYR  13  -0.232   2.825   4.120
  108   2HB   TYR  13          1HB       TYR  13   0.316   1.160   4.282
  109    HD1  TYR  13           1HD      TYR  13   1.751   4.434   5.401
  110    HD2  TYR  13           2HD      TYR  13   0.364   0.567   6.507
  111    HE1  TYR  13           1HE      TYR  13   2.392   4.877   7.731
  112    HE2  TYR  13           2HE      TYR  13   1.001   1.000   8.841
  113    HH   TYR  13           HH       TYR  13   1.321   3.486  10.231
  114    H    ARG  14           H        ARG  14   3.413   0.587   3.079
  115    HA   ARG  14           HA       ARG  14   1.952  -0.696   0.875
  116   1HB   ARG  14          2HB       ARG  14   4.938  -0.234   0.964
  117   2HB   ARG  14          1HB       ARG  14   4.082  -1.142  -0.273
  118   1HG   ARG  14          2HG       ARG  14   3.462   0.703  -1.367
  119   2HG   ARG  14          1HG       ARG  14   3.051   1.560   0.119
  120   1HD   ARG  14          2HD       ARG  14   5.847   1.147  -0.933
  121   2HD   ARG  14          1HD       ARG  14   4.901   2.619  -1.125
  122    HE   ARG  14           HE       ARG  14   5.130   3.048   1.177
  123   1HH1  ARG  14          1HH1      ARG  14   6.843   0.157   0.204
  124   2HH1  ARG  14          2HH1      ARG  14   7.828   0.120   1.624
  125   1HH2  ARG  14          1HH2      ARG  14   6.428   2.989   3.039
  126   2HH2  ARG  14          2HH2      ARG  14   7.593   1.723   3.233
  127    H    ARG  15           H        ARG  15   3.412  -2.869   0.398
  128    HA   ARG  15           HA       ARG  15   3.942  -4.957   1.126
  129   1HB   ARG  15          2HB       ARG  15   5.057  -3.185   3.146
  130   2HB   ARG  15          1HB       ARG  15   4.602  -4.742   3.822
  131   1HG   ARG  15          2HG       ARG  15   6.651  -5.355   3.160
  132   2HG   ARG  15          1HG       ARG  15   5.887  -5.529   1.579
  133   1HD   ARG  15          2HD       ARG  15   6.791  -2.810   2.208
  134   2HD   ARG  15          1HD       ARG  15   8.085  -4.004   2.095
  135    HE   ARG  15           HE       ARG  15   6.598  -2.907  -0.057
  136   1HH1  ARG  15          1HH1      ARG  15   8.103  -5.861   1.031
  137   2HH1  ARG  15          2HH1      ARG  15   8.367  -6.465  -0.571
  138   1HH2  ARG  15          1HH2      ARG  15   6.944  -3.698  -2.165
  139   2HH2  ARG  15          2HH2      ARG  15   7.709  -5.236  -2.386
  140    H    CYS  16           H        CYS  16   3.153  -6.713   2.471
  141    HA   CYS  16           HA       CYS  16   0.783  -6.085   4.072
  142   1HB   CYS  16          2HB       CYS  16   0.805  -7.421   1.470
  143   2HB   CYS  16          1HB       CYS  16   0.007  -8.368   2.721
  144    H    ARG  17           H        ARG  17  -0.074  -8.220   5.083
  145    HA   ARG  17           HA       ARG  17   0.287  -9.902   6.571
  146   1HB   ARG  17          2HB       ARG  17   2.674 -10.590   4.852
  147   2HB   ARG  17          1HB       ARG  17   1.798 -11.668   5.930
  148   1HG   ARG  17          2HG       ARG  17   0.030 -10.482   3.982
  149   2HG   ARG  17          1HG       ARG  17   1.381 -11.312   3.207
  150   1HD   ARG  17          2HD       ARG  17  -0.611 -12.755   3.604
  151   2HD   ARG  17          1HD       ARG  17   0.872 -13.351   4.349
  152    HE   ARG  17           HE       ARG  17  -0.115 -13.115   6.393
  153   1HH1  ARG  17          1HH1      ARG  17  -1.902 -11.213   4.076
  154   2HH1  ARG  17          2HH1      ARG  17  -3.164 -10.812   5.192
  155   1HH2  ARG  17          1HH2      ARG  17  -1.775 -12.588   7.861
  156   2HH2  ARG  17          2HH2      ARG  17  -3.092 -11.591   7.341
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1 -12.889  -5.168   0.941
    2   2H    LYS   1          2HT       LYS   1 -13.163  -6.855   0.785
    3   3H    LYS   1          3HT       LYS   1 -12.314  -6.005  -0.441
    4    HA   LYS   1           HA       LYS   1 -11.379  -6.188   2.336
    5   1HB   LYS   1          2HB       LYS   1 -10.978  -8.025  -0.017
    6   2HB   LYS   1          1HB       LYS   1  -9.807  -7.936   1.290
    7   1HG   LYS   1          2HG       LYS   1 -11.084  -9.133   2.679
    8   2HG   LYS   1          1HG       LYS   1 -12.562  -8.297   2.195
    9   1HD   LYS   1          2HD       LYS   1 -11.251 -10.269   0.359
   10   2HD   LYS   1          1HD       LYS   1 -12.306 -10.820   1.662
   11   1HE   LYS   1          2HE       LYS   1 -13.076  -8.835  -0.474
   12   2HE   LYS   1          1HE       LYS   1 -13.490 -10.547  -0.489
   13   1HZ   LYS   1          1HZ       LYS   1 -14.433  -9.906   1.879
   14   2HZ   LYS   1          2HZ       LYS   1 -15.354  -9.728   0.471
   15   3HZ   LYS   1          3HZ       LYS   1 -14.574  -8.388   1.146
   16    H    TRP   2           H        TRP   2 -11.372  -3.850   0.855
   17    HA   TRP   2           HA       TRP   2  -8.671  -3.670  -0.276
   18   1HB   TRP   2          2HB       TRP   2  -9.506  -1.350  -0.991
   19   2HB   TRP   2          1HB       TRP   2 -10.216  -2.745  -1.793
   20    HD1  TRP   2           HD       TRP   2 -12.773  -3.346  -1.178
   21    HE1  TRP   2           1HE      TRP   2 -14.672  -1.894  -0.226
   22    HE3  TRP   2           3HE      TRP   2  -9.996   0.570   0.587
   23    HZ2  TRP   2           2HZ      TRP   2 -14.957   0.582   1.097
   24    HZ3  TRP   2           3HZ      TRP   2 -11.162   2.440   1.682
   25    HH2  TRP   2           HH       TRP   2 -13.590   2.446   1.929
   26    H    CYS   3           H        CYS   3  -9.123  -3.894   2.572
   27    HA   CYS   3           HA       CYS   3  -8.454  -1.216   3.554
   28   1HB   CYS   3          2HB       CYS   3 -10.156  -3.037   4.597
   29   2HB   CYS   3          1HB       CYS   3  -8.684  -3.477   5.456
   30    H    PHE   4           H        PHE   4  -6.508  -2.453   1.991
   31    HA   PHE   4           HA       PHE   4  -4.303  -2.454   3.837
   32   1HB   PHE   4          2HB       PHE   4  -5.326  -4.883   3.627
   33   2HB   PHE   4          1HB       PHE   4  -4.413  -4.899   2.121
   34    HD1  PHE   4           1HD      PHE   4  -3.598  -3.427   5.441
   35    HD2  PHE   4           2HD      PHE   4  -2.605  -6.290   2.454
   36    HE1  PHE   4           1HE      PHE   4  -1.561  -4.014   6.689
   37    HE2  PHE   4           2HE      PHE   4  -0.565  -6.884   3.696
   38    HZ   PHE   4           HZ       PHE   4  -0.042  -5.746   5.817
   39    H    ARG   5           H        ARG   5  -2.316  -2.082   2.839
   40    HA   ARG   5           HA       ARG   5  -0.901  -1.269   1.257
   41   1HB   ARG   5          2HB       ARG   5  -2.636  -2.731  -0.736
   42   2HB   ARG   5          1HB       ARG   5  -0.960  -2.241  -0.946
   43   1HG   ARG   5          2HG       ARG   5  -1.087  -3.818   1.389
   44   2HG   ARG   5          1HG       ARG   5  -1.997  -4.659   0.134
   45   1HD   ARG   5          2HD       ARG   5  -0.149  -4.845  -1.258
   46   2HD   ARG   5          1HD       ARG   5   0.698  -3.513  -0.474
   47    HE   ARG   5           HE       ARG   5   0.267  -5.794   1.228
   48   1HH1  ARG   5          1HH1      ARG   5   2.392  -4.329  -1.120
   49   2HH1  ARG   5          2HH1      ARG   5   3.788  -5.203  -0.586
   50   1HH2  ARG   5          1HH2      ARG   5   2.101  -6.942   1.932
   51   2HH2  ARG   5          2HH2      ARG   5   3.623  -6.687   1.146
   52    H    VAL   6           H        VAL   6  -1.771   0.817   1.769
   53    HA   VAL   6           HA       VAL   6  -2.751   2.163  -0.591
   54    HB   VAL   6           HB       VAL   6  -4.747   1.299   0.902
   55   1HG1  VAL   6          1HG1      VAL   6  -4.575   3.965   2.185
   56   2HG1  VAL   6          2HG1      VAL   6  -3.590   2.667   2.862
   57   3HG1  VAL   6          3HG1      VAL   6  -5.340   2.477   2.748
   58   1HG2  VAL   6          1HG2      VAL   6  -4.447   3.222  -1.039
   59   2HG2  VAL   6          2HG2      VAL   6  -5.292   4.080   0.250
   60   3HG2  VAL   6          3HG2      VAL   6  -5.978   2.601  -0.422
   61    H    CYS   7           H        CYS   7  -3.394   4.631   0.540
   62    HA   CYS   7           HA       CYS   7  -0.806   5.370   1.705
   63   1HB   CYS   7          2HB       CYS   7  -1.786   6.334  -0.563
   64   2HB   CYS   7          1HB       CYS   7  -2.617   7.428   0.539
   65    H    TYR   8           H        TYR   8  -0.737   7.051   3.312
   66    HA   TYR   8           HA       TYR   8  -3.243   7.404   4.809
   67   1HB   TYR   8          2HB       TYR   8  -1.004   5.845   5.620
   68   2HB   TYR   8          1HB       TYR   8  -1.066   7.268   6.651
   69    HD1  TYR   8           1HD      TYR   8  -1.847   6.484   8.699
   70    HD2  TYR   8           2HD      TYR   8  -3.866   5.333   5.135
   71    HE1  TYR   8           1HE      TYR   8  -3.614   5.430  10.046
   72    HE2  TYR   8           2HE      TYR   8  -5.638   4.278   6.473
   73    HH   TYR   8           HH       TYR   8  -5.909   4.744   9.861
   74    H    ARG   9           H        ARG   9  -3.653   9.460   5.232
   75    HA   ARG   9           HA       ARG   9  -3.435  11.714   5.395
   76   1HB   ARG   9          2HB       ARG   9  -0.775  11.059   6.672
   77   2HB   ARG   9          1HB       ARG   9  -1.721  12.523   6.898
   78   1HG   ARG   9          2HG       ARG   9  -3.043  11.575   8.431
   79   2HG   ARG   9          1HG       ARG   9  -3.163  10.059   7.536
   80   1HD   ARG   9          2HD       ARG   9  -0.866  10.941   9.280
   81   2HD   ARG   9          1HD       ARG   9  -2.052   9.694   9.661
   82    HE   ARG   9           HE       ARG   9  -0.653   9.164   7.226
   83   1HH1  ARG   9          1HH1      ARG   9  -0.450   8.919  10.700
   84   2HH1  ARG   9          2HH1      ARG   9   0.667   7.597  10.667
   85   1HH2  ARG   9          1HH2      ARG   9   0.819   7.425   7.180
   86   2HH2  ARG   9          2HH2      ARG   9   1.387   6.747   8.670
   87    H    GLY  10           H        GLY  10   0.065  11.266   5.122
   88   1HA   GLY  10          2HA       GLY  10  -0.063  12.629   2.504
   89   2HA   GLY  10          1HA       GLY  10   1.171  12.978   3.706
   90    H    ILE  11           H        ILE  11   1.676  10.306   4.509
   91    HA   ILE  11           HA       ILE  11   3.267   9.437   2.222
   92    HB   ILE  11           HB       ILE  11   4.357   9.695   4.435
   93   1HG1  ILE  11          2HG1      ILE  11   5.561   7.561   4.413
   94   2HG1  ILE  11          1HG1      ILE  11   4.286   6.836   3.441
   95   1HG2  ILE  11          1HG2      ILE  11   3.911   7.939   6.156
   96   2HG2  ILE  11          2HG2      ILE  11   2.485   7.473   5.226
   97   3HG2  ILE  11          3HG2      ILE  11   2.594   9.089   5.921
   98   1HD1  ILE  11          1HD1      ILE  11   5.300   7.506   1.597
   99   2HD1  ILE  11          2HD1      ILE  11   6.595   8.196   2.575
  100   3HD1  ILE  11          3HD1      ILE  11   5.205   9.186   2.128
  101    H    CYS  12           H        CYS  12   3.375   7.103   1.705
  102    HA   CYS  12           HA       CYS  12   0.735   5.866   2.046
  103   1HB   CYS  12          2HB       CYS  12   2.759   5.398  -0.151
  104   2HB   CYS  12          1HB       CYS  12   1.165   4.660  -0.042
  105    H    TYR  13           H        TYR  13   0.620   4.133   3.284
  106    HA   TYR  13           HA       TYR  13   2.978   2.399   3.498
  107   1HB   TYR  13          2HB       TYR  13   1.540   3.823   5.654
  108   2HB   TYR  13          1HB       TYR  13   1.921   2.137   5.981
  109    HD1  TYR  13           1HD      TYR  13   3.856   1.807   7.173
  110    HD2  TYR  13           2HD      TYR  13   3.672   5.077   4.457
  111    HE1  TYR  13           1HE      TYR  13   6.151   2.440   7.789
  112    HE2  TYR  13           2HE      TYR  13   5.967   5.719   5.065
  113    HH   TYR  13           HH       TYR  13   7.457   5.228   7.402
  114    H    ARG  14           H        ARG  14   2.493   0.199   4.180
  115    HA   ARG  14           HA       ARG  14   0.176  -0.828   2.884
  116   1HB   ARG  14          2HB       ARG  14   2.393  -2.035   4.506
  117   2HB   ARG  14          1HB       ARG  14   0.994  -3.003   4.062
  118   1HG   ARG  14          2HG       ARG  14   1.899  -3.401   2.087
  119   2HG   ARG  14          1HG       ARG  14   1.878  -1.674   1.727
  120   1HD   ARG  14          2HD       ARG  14   4.079  -3.226   3.082
  121   2HD   ARG  14          1HD       ARG  14   4.121  -2.503   1.477
  122    HE   ARG  14           HE       ARG  14   4.275  -0.367   2.464
  123   1HH1  ARG  14          1HH1      ARG  14   4.286  -2.935   4.840
  124   2HH1  ARG  14          2HH1      ARG  14   4.950  -1.939   6.087
  125   1HH2  ARG  14          1HH2      ARG  14   5.146   0.934   4.112
  126   2HH2  ARG  14          2HH2      ARG  14   5.437   0.253   5.677
  127    H    ARG  15           H        ARG  15  -1.544   0.227   3.999
  128    HA   ARG  15           HA       ARG  15  -2.462  -1.281   6.291
  129   1HB   ARG  15          2HB       ARG  15  -1.108   1.077   6.787
  130   2HB   ARG  15          1HB       ARG  15  -2.794   1.574   6.816
  131   1HG   ARG  15          2HG       ARG  15  -1.938   0.958   9.036
  132   2HG   ARG  15          1HG       ARG  15  -3.293  -0.049   8.524
  133   1HD   ARG  15          2HD       ARG  15  -1.912  -1.890   8.098
  134   2HD   ARG  15          1HD       ARG  15  -0.454  -0.901   8.062
  135    HE   ARG  15           HE       ARG  15  -1.328  -0.596  10.597
  136   1HH1  ARG  15          1HH1      ARG  15  -0.728  -3.407   8.617
  137   2HH1  ARG  15          2HH1      ARG  15  -0.304  -4.416   9.959
  138   1HH2  ARG  15          1HH2      ARG  15  -0.773  -1.922  12.363
  139   2HH2  ARG  15          2HH2      ARG  15  -0.331  -3.574  12.085
  140    H    CYS  16           H        CYS  16  -4.599   0.256   7.055
  141    HA   CYS  16           HA       CYS  16  -6.423  -0.204   4.913
  142   1HB   CYS  16          2HB       CYS  16  -6.636   0.812   7.714
  143   2HB   CYS  16          1HB       CYS  16  -7.985   1.084   6.614
  144    H    ARG  17           H        ARG  17  -8.156   1.616   4.533
  145    HA   ARG  17           HA       ARG  17  -6.900   3.640   3.041
  146   1HB   ARG  17          2HB       ARG  17  -9.403   2.598   3.104
  147   2HB   ARG  17          1HB       ARG  17  -9.681   4.139   3.903
  148   1HG   ARG  17          2HG       ARG  17  -8.370   5.111   1.872
  149   2HG   ARG  17          1HG       ARG  17  -8.814   3.585   1.106
  150   1HD   ARG  17          2HD       ARG  17 -10.801   4.454   0.631
  151   2HD   ARG  17          1HD       ARG  17 -11.141   4.536   2.359
  152    HE   ARG  17           HE       ARG  17  -9.598   6.761   1.452
  153   1HH1  ARG  17          1HH1      ARG  17 -12.839   5.477   1.636
  154   2HH1  ARG  17          2HH1      ARG  17 -13.593   7.036   1.587
  155   1HH2  ARG  17          1HH2      ARG  17 -10.589   8.812   1.387
  156   2HH2  ARG  17          2HH2      ARG  17 -12.316   8.928   1.445
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1   7.697  -8.477  -0.565
    2   2H    LYS   1          2HT       LYS   1   8.956  -8.828   0.548
    3   3H    LYS   1          3HT       LYS   1   7.816  -7.596   0.901
    4    HA   LYS   1           HA       LYS   1   7.048 -10.395   0.488
    5   1HB   LYS   1          2HB       LYS   1   8.713  -9.437   2.512
    6   2HB   LYS   1          1HB       LYS   1   7.118  -9.486   3.251
    7   1HG   LYS   1          2HG       LYS   1   7.288 -11.900   1.926
    8   2HG   LYS   1          1HG       LYS   1   8.918 -11.650   2.555
    9   1HD   LYS   1          2HD       LYS   1   6.367 -11.537   4.164
   10   2HD   LYS   1          1HD       LYS   1   7.524 -12.870   4.153
   11   1HE   LYS   1          2HE       LYS   1   7.893 -10.082   5.211
   12   2HE   LYS   1          1HE       LYS   1   8.015 -11.609   6.085
   13   1HZ   LYS   1          1HZ       LYS   1  10.203 -11.223   5.761
   14   2HZ   LYS   1          2HZ       LYS   1   9.966 -10.283   4.375
   15   3HZ   LYS   1          3HZ       LYS   1   9.901 -11.970   4.272
   16    H    TRP   2           H        TRP   2   5.755  -8.038  -0.455
   17    HA   TRP   2           HA       TRP   2   3.691  -7.088  -0.508
   18   1HB   TRP   2          2HB       TRP   2   2.529  -9.074  -0.434
   19   2HB   TRP   2          1HB       TRP   2   3.243  -9.562   1.097
   20    HD1  TRP   2           HD       TRP   2   0.200  -7.889  -0.362
   21    HE1  TRP   2           1HE      TRP   2  -1.446  -7.302   1.528
   22    HE3  TRP   2           3HE      TRP   2   3.222  -8.804   3.657
   23    HZ2  TRP   2           2HZ      TRP   2  -1.457  -7.233   4.353
   24    HZ3  TRP   2           3HZ      TRP   2   2.324  -8.450   5.917
   25    HH2  TRP   2           HH       TRP   2   0.029  -7.681   6.257
   26    H    CYS   3           H        CYS   3   2.981  -5.248   0.379
   27    HA   CYS   3           HA       CYS   3   3.643  -4.746   3.203
   28   1HB   CYS   3          2HB       CYS   3   4.206  -3.241   0.916
   29   2HB   CYS   3          1HB       CYS   3   2.883  -2.385   1.691
   30    H    PHE   4           H        PHE   4   2.017  -2.483   3.552
   31    HA   PHE   4           HA       PHE   4  -0.619  -3.762   3.672
   32   1HB   PHE   4          2HB       PHE   4  -0.547  -1.278   5.112
   33   2HB   PHE   4          1HB       PHE   4  -0.786  -2.905   5.735
   34    HD1  PHE   4           1HD      PHE   4   0.991  -4.099   6.796
   35    HD2  PHE   4           2HD      PHE   4   1.689  -0.281   5.053
   36    HE1  PHE   4           1HE      PHE   4   3.163  -3.976   7.946
   37    HE2  PHE   4           2HE      PHE   4   3.863  -0.151   6.197
   38    HZ   PHE   4           HZ       PHE   4   4.603  -2.000   7.647
   39    H    ARG   5           H        ARG   5  -1.031  -3.328   1.430
   40    HA   ARG   5           HA       ARG   5  -0.943  -0.950   0.092
   41   1HB   ARG   5          2HB       ARG   5  -2.050  -3.443  -0.375
   42   2HB   ARG   5          1HB       ARG   5  -3.439  -2.367  -0.441
   43   1HG   ARG   5          2HG       ARG   5  -0.923  -2.157  -2.080
   44   2HG   ARG   5          1HG       ARG   5  -2.519  -2.655  -2.645
   45   1HD   ARG   5          2HD       ARG   5  -3.178  -0.542  -2.908
   46   2HD   ARG   5          1HD       ARG   5  -2.602  -0.087  -1.307
   47    HE   ARG   5           HE       ARG   5  -0.510  -0.380  -3.260
   48   1HH1  ARG   5          1HH1      ARG   5  -2.851   1.807  -1.875
   49   2HH1  ARG   5          2HH1      ARG   5  -1.973   3.230  -2.325
   50   1HH2  ARG   5          1HH2      ARG   5   0.643   1.492  -3.857
   51   2HH2  ARG   5          2HH2      ARG   5   0.009   3.052  -3.453
   52    H    VAL   6           H        VAL   6  -1.396   0.847   1.306
   53    HA   VAL   6           HA       VAL   6  -3.894   1.970   1.227
   54    HB   VAL   6           HB       VAL   6  -3.638   0.140   3.500
   55   1HG1  VAL   6          1HG1      VAL   6  -3.166   2.115   4.790
   56   2HG1  VAL   6          2HG1      VAL   6  -4.829   1.619   5.102
   57   3HG1  VAL   6          3HG1      VAL   6  -4.502   2.981   4.032
   58   1HG2  VAL   6          1HG2      VAL   6  -5.488   0.659   1.598
   59   2HG2  VAL   6          2HG2      VAL   6  -6.169   1.536   2.967
   60   3HG2  VAL   6          3HG2      VAL   6  -5.827  -0.188   3.108
   61    H    CYS   7           H        CYS   7  -3.962   4.071   2.194
   62    HA   CYS   7           HA       CYS   7  -1.968   5.020   3.935
   63   1HB   CYS   7          2HB       CYS   7  -0.478   6.092   2.534
   64   2HB   CYS   7          1HB       CYS   7  -0.759   4.556   1.732
   65    H    TYR   8           H        TYR   8  -1.726   7.600   3.430
   66    HA   TYR   8           HA       TYR   8  -4.117   8.886   2.563
   67   1HB   TYR   8          2HB       TYR   8  -3.757   8.266   5.456
   68   2HB   TYR   8          1HB       TYR   8  -4.414   9.843   5.032
   69    HD1  TYR   8           1HD      TYR   8  -5.187   6.452   5.651
   70    HD2  TYR   8           2HD      TYR   8  -6.429   9.820   3.368
   71    HE1  TYR   8           1HE      TYR   8  -7.411   5.441   5.380
   72    HE2  TYR   8           2HE      TYR   8  -8.656   8.819   3.092
   73    HH   TYR   8           HH       TYR   8  -9.498   6.143   3.180
   74    H    ARG   9           H        ARG   9  -4.025  11.267   3.807
   75    HA   ARG   9           HA       ARG   9  -1.795  12.527   2.668
   76   1HB   ARG   9          2HB       ARG   9  -3.832  13.752   2.970
   77   2HB   ARG   9          1HB       ARG   9  -3.807  13.481   4.706
   78   1HG   ARG   9          2HG       ARG   9  -1.388  14.785   3.946
   79   2HG   ARG   9          1HG       ARG   9  -2.755  15.661   3.256
   80   1HD   ARG   9          2HD       ARG   9  -2.390  14.908   6.154
   81   2HD   ARG   9          1HD       ARG   9  -2.213  16.522   5.464
   82    HE   ARG   9           HE       ARG   9  -4.733  15.870   4.785
   83   1HH1  ARG   9          1HH1      ARG   9  -3.020  15.758   7.824
   84   2HH1  ARG   9          2HH1      ARG   9  -4.438  16.028   8.777
   85   1HH2  ARG   9          1HH2      ARG   9  -6.601  16.226   6.039
   86   2HH2  ARG   9          2HH2      ARG   9  -6.471  16.293   7.765
   87    H    GLY  10           H        GLY  10   0.035  11.379   3.520
   88   1HA   GLY  10          2HA       GLY  10   1.436  12.696   5.507
   89   2HA   GLY  10          1HA       GLY  10   0.641  11.342   6.300
   90    H    ILE  11           H        ILE  11   0.794   9.654   3.929
   91    HA   ILE  11           HA       ILE  11   3.228   9.224   2.798
   92    HB   ILE  11           HB       ILE  11   4.221   9.141   5.041
   93   1HG1  ILE  11          2HG1      ILE  11   5.342   6.968   4.867
   94   2HG1  ILE  11          1HG1      ILE  11   4.088   6.400   3.768
   95   1HG2  ILE  11          1HG2      ILE  11   3.434   7.912   6.777
   96   2HG2  ILE  11          2HG2      ILE  11   2.808   6.634   5.734
   97   3HG2  ILE  11          3HG2      ILE  11   1.918   8.151   5.905
   98   1HD1  ILE  11          1HD1      ILE  11   4.775   8.374   2.290
   99   2HD1  ILE  11          2HD1      ILE  11   5.843   6.973   2.368
  100   3HD1  ILE  11          3HD1      ILE  11   6.227   8.429   3.287
  101    H    CYS  12           H        CYS  12   3.366   7.092   1.796
  102    HA   CYS  12           HA       CYS  12   0.940   5.486   2.151
  103   1HB   CYS  12          2HB       CYS  12   2.232   6.242  -0.467
  104   2HB   CYS  12          1HB       CYS  12   0.950   5.047  -0.305
  105    H    TYR  13           H        TYR  13   1.125   3.349   2.243
  106    HA   TYR  13           HA       TYR  13   3.842   2.247   1.965
  107   1HB   TYR  13          2HB       TYR  13   1.581   1.062   3.577
  108   2HB   TYR  13          1HB       TYR  13   3.287   0.632   3.637
  109    HD1  TYR  13           1HD      TYR  13   4.271   3.574   3.600
  110    HD2  TYR  13           2HD      TYR  13   1.366   1.510   5.923
  111    HE1  TYR  13           1HE      TYR  13   4.614   5.168   5.431
  112    HE2  TYR  13           2HE      TYR  13   1.698   3.104   7.765
  113    HH   TYR  13           HH       TYR  13   2.518   5.331   8.145
  114    H    ARG  14           H        ARG  14   4.204   0.711   0.493
  115    HA   ARG  14           HA       ARG  14   2.216  -1.160  -0.349
  116   1HB   ARG  14          2HB       ARG  14   2.354  -0.433  -2.791
  117   2HB   ARG  14          1HB       ARG  14   1.344   0.537  -1.729
  118   1HG   ARG  14          2HG       ARG  14   2.468   2.348  -2.308
  119   2HG   ARG  14          1HG       ARG  14   3.952   1.638  -1.667
  120   1HD   ARG  14          2HD       ARG  14   2.993   0.806  -4.365
  121   2HD   ARG  14          1HD       ARG  14   3.781   2.374  -4.184
  122    HE   ARG  14           HE       ARG  14   5.350   0.404  -2.941
  123   1HH1  ARG  14          1HH1      ARG  14   4.369   1.431  -6.129
  124   2HH1  ARG  14          2HH1      ARG  14   5.801   0.836  -6.898
  125   1HH2  ARG  14          1HH2      ARG  14   7.236  -0.374  -3.950
  126   2HH2  ARG  14          2HH2      ARG  14   7.430  -0.190  -5.661
  127    H    ARG  15           H        ARG  15   3.163  -2.971  -1.107
  128    HA   ARG  15           HA       ARG  15   4.805  -4.456  -1.633
  129   1HB   ARG  15          2HB       ARG  15   6.200  -2.200  -3.062
  130   2HB   ARG  15          1HB       ARG  15   6.229  -3.916  -3.448
  131   1HG   ARG  15          2HG       ARG  15   3.531  -3.088  -3.550
  132   2HG   ARG  15          1HG       ARG  15   4.486  -1.884  -4.419
  133   1HD   ARG  15          2HD       ARG  15   4.915  -3.289  -6.108
  134   2HD   ARG  15          1HD       ARG  15   5.268  -4.631  -5.020
  135    HE   ARG  15           HE       ARG  15   2.582  -4.447  -4.887
  136   1HH1  ARG  15          1HH1      ARG  15   4.808  -4.634  -7.570
  137   2HH1  ARG  15          2HH1      ARG  15   3.684  -5.446  -8.606
  138   1HH2  ARG  15          1HH2      ARG  15   1.104  -5.515  -6.249
  139   2HH2  ARG  15          2HH2      ARG  15   1.580  -5.946  -7.858
  140    H    CYS  16           H        CYS  16   5.486  -4.603   0.561
  141    HA   CYS  16           HA       CYS  16   8.183  -4.440   1.028
  142   1HB   CYS  16          2HB       CYS  16   8.084  -2.497   2.790
  143   2HB   CYS  16          1HB       CYS  16   8.356  -2.132   1.092
  144    H    ARG  17           H        ARG  17   8.698  -4.497   3.492
  145    HA   ARG  17           HA       ARG  17   6.659  -6.217   4.708
  146   1HB   ARG  17          2HB       ARG  17   9.553  -5.834   5.499
  147   2HB   ARG  17          1HB       ARG  17   8.445  -7.034   6.150
  148   1HG   ARG  17          2HG       ARG  17   9.457  -8.365   4.648
  149   2HG   ARG  17          1HG       ARG  17   8.284  -7.645   3.544
  150   1HD   ARG  17          2HD       ARG  17  10.007  -5.891   3.025
  151   2HD   ARG  17          1HD       ARG  17  11.162  -6.850   3.949
  152    HE   ARG  17           HE       ARG  17  10.138  -7.414   1.313
  153   1HH1  ARG  17          1HH1      ARG  17  11.660  -8.746   4.159
  154   2HH1  ARG  17          2HH1      ARG  17  12.347 -10.092   3.314
  155   1HH2  ARG  17          1HH2      ARG  17  11.042  -9.184   0.202
  156   2HH2  ARG  17          2HH2      ARG  17  11.996 -10.341   1.068
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1   2.781 -12.335   3.609
    2   2H    LYS   1          2HT       LYS   1   3.764 -13.357   4.576
    3   3H    LYS   1          3HT       LYS   1   4.153 -11.693   4.409
    4    HA   LYS   1           HA       LYS   1   1.831 -12.867   5.765
    5   1HB   LYS   1          2HB       LYS   1   3.866 -13.005   7.047
    6   2HB   LYS   1          1HB       LYS   1   4.263 -11.332   6.680
    7   1HG   LYS   1          2HG       LYS   1   3.114 -10.605   8.431
    8   2HG   LYS   1          1HG       LYS   1   1.678 -11.500   7.932
    9   1HD   LYS   1          2HD       LYS   1   4.006 -12.764   9.366
   10   2HD   LYS   1          1HD       LYS   1   2.596 -12.104  10.198
   11   1HE   LYS   1          2HE       LYS   1   2.369 -14.171   8.026
   12   2HE   LYS   1          1HE       LYS   1   2.592 -14.603   9.722
   13   1HZ   LYS   1          1HZ       LYS   1   0.566 -13.019  10.038
   14   2HZ   LYS   1          2HZ       LYS   1   0.326 -14.620   9.546
   15   3HZ   LYS   1          3HZ       LYS   1   0.276 -13.369   8.408
   16    H    TRP   2           H        TRP   2   3.465  -9.758   5.861
   17    HA   TRP   2           HA       TRP   2   0.936  -8.373   5.879
   18   1HB   TRP   2          2HB       TRP   2   3.468  -7.842   6.903
   19   2HB   TRP   2          1HB       TRP   2   3.279  -6.669   5.605
   20    HD1  TRP   2           HD       TRP   2   0.561  -7.901   8.076
   21    HE1  TRP   2           1HE      TRP   2  -0.389  -5.845   9.300
   22    HE3  TRP   2           3HE      TRP   2   3.624  -4.306   6.118
   23    HZ2  TRP   2           2HZ      TRP   2   0.098  -3.066   9.420
   24    HZ3  TRP   2           3HZ      TRP   2   3.316  -1.974   6.838
   25    HH2  TRP   2           HH       TRP   2   1.589  -1.369   8.456
   26    H    CYS   3           H        CYS   3  -0.115  -8.048   4.033
   27    HA   CYS   3           HA       CYS   3   1.268  -6.772   1.824
   28   1HB   CYS   3          2HB       CYS   3   0.943  -9.520   1.750
   29   2HB   CYS   3          1HB       CYS   3  -0.426  -8.927   0.817
   30    H    PHE   4           H        PHE   4  -0.066  -5.018   2.482
   31    HA   PHE   4           HA       PHE   4  -2.646  -5.032   1.189
   32   1HB   PHE   4          2HB       PHE   4  -2.337  -4.924   4.147
   33   2HB   PHE   4          1HB       PHE   4  -3.557  -3.894   3.406
   34    HD1  PHE   4           1HD      PHE   4  -4.576  -5.552   1.244
   35    HD2  PHE   4           2HD      PHE   4  -3.476  -6.623   5.213
   36    HE1  PHE   4           1HE      PHE   4  -6.131  -7.456   1.156
   37    HE2  PHE   4           2HE      PHE   4  -5.027  -8.531   5.132
   38    HZ   PHE   4           HZ       PHE   4  -6.358  -8.950   3.102
   39    H    ARG   5           H        ARG   5  -1.297  -2.991   3.705
   40    HA   ARG   5           HA       ARG   5  -0.644  -0.815   3.752
   41   1HB   ARG   5          2HB       ARG   5  -0.180  -1.230   0.804
   42   2HB   ARG   5          1HB       ARG   5   0.399   0.135   1.741
   43   1HG   ARG   5          2HG       ARG   5   1.299  -2.714   1.827
   44   2HG   ARG   5          1HG       ARG   5   2.253  -1.250   1.583
   45   1HD   ARG   5          2HD       ARG   5   2.774  -1.874   3.762
   46   2HD   ARG   5          1HD       ARG   5   1.535  -0.638   3.977
   47    HE   ARG   5           HE       ARG   5   0.173  -2.225   4.896
   48   1HH1  ARG   5          1HH1      ARG   5   2.731  -3.831   3.148
   49   2HH1  ARG   5          2HH1      ARG   5   2.287  -5.410   3.701
   50   1HH2  ARG   5          1HH2      ARG   5  -0.413  -4.302   5.623
   51   2HH2  ARG   5          2HH2      ARG   5   0.502  -5.679   5.105
   52    H    VAL   6           H        VAL   6  -0.995   1.368   2.299
   53    HA   VAL   6           HA       VAL   6  -3.358   1.696   0.861
   54    HB   VAL   6           HB       VAL   6  -3.728   1.607   3.783
   55   1HG1  VAL   6          1HG1      VAL   6  -4.946   3.870   2.201
   56   2HG1  VAL   6          2HG1      VAL   6  -3.835   4.012   3.563
   57   3HG1  VAL   6          3HG1      VAL   6  -5.458   3.370   3.812
   58   1HG2  VAL   6          1HG2      VAL   6  -5.227   0.185   2.949
   59   2HG2  VAL   6          2HG2      VAL   6  -5.128   0.895   1.338
   60   3HG2  VAL   6          3HG2      VAL   6  -6.191   1.607   2.552
   61    H    CYS   7           H        CYS   7  -3.876   3.973   0.502
   62    HA   CYS   7           HA       CYS   7  -1.495   5.616   0.779
   63   1HB   CYS   7          2HB       CYS   7  -3.200   5.279  -1.299
   64   2HB   CYS   7          1HB       CYS   7  -3.874   6.734  -0.573
   65    H    TYR   8           H        TYR   8  -1.255   7.132   2.274
   66    HA   TYR   8           HA       TYR   8  -3.661   8.303   3.503
   67   1HB   TYR   8          2HB       TYR   8  -1.183   7.253   4.858
   68   2HB   TYR   8          1HB       TYR   8  -2.245   8.419   5.639
   69    HD1  TYR   8           1HD      TYR   8  -1.463   5.202   5.881
   70    HD2  TYR   8           2HD      TYR   8  -4.905   7.535   4.989
   71    HE1  TYR   8           1HE      TYR   8  -2.902   3.363   6.654
   72    HE2  TYR   8           2HE      TYR   8  -6.355   5.704   5.760
   73    HH   TYR   8           HH       TYR   8  -6.290   3.327   6.111
   74    H    ARG   9           H        ARG   9  -3.366  10.434   4.398
   75    HA   ARG   9           HA       ARG   9  -1.904  12.141   2.701
   76   1HB   ARG   9          2HB       ARG   9  -2.455  13.874   4.576
   77   2HB   ARG   9          1HB       ARG   9  -3.744  13.206   3.589
   78   1HG   ARG   9          2HG       ARG   9  -4.419  13.295   5.899
   79   2HG   ARG   9          1HG       ARG   9  -4.278  11.617   5.385
   80   1HD   ARG   9          2HD       ARG   9  -1.796  12.648   6.490
   81   2HD   ARG   9          1HD       ARG   9  -3.133  12.761   7.630
   82    HE   ARG   9           HE       ARG   9  -3.232  10.215   6.554
   83   1HH1  ARG   9          1HH1      ARG   9  -0.998  12.112   8.445
   84   2HH1  ARG   9          2HH1      ARG   9  -0.324  10.740   9.257
   85   1HH2  ARG   9          1HH2      ARG   9  -2.349   8.406   7.622
   86   2HH2  ARG   9          2HH2      ARG   9  -1.090   8.636   8.790
   87    H    GLY  10           H        GLY  10  -0.956  10.416   5.496
   88   1HA   GLY  10          2HA       GLY  10   1.335  12.202   5.944
   89   2HA   GLY  10          1HA       GLY  10   0.789  10.944   7.042
   90    H    ILE  11           H        ILE  11   0.514   9.098   4.651
   91    HA   ILE  11           HA       ILE  11   3.062   8.734   3.494
   92    HB   ILE  11           HB       ILE  11   3.846   8.135   5.677
   93   1HG1  ILE  11          2HG1      ILE  11   4.611   5.862   5.322
   94   2HG1  ILE  11          1HG1      ILE  11   3.296   5.554   4.195
   95   1HG2  ILE  11          1HG2      ILE  11   1.508   6.240   5.821
   96   2HG2  ILE  11          2HG2      ILE  11   1.720   7.720   6.755
   97   3HG2  ILE  11          3HG2      ILE  11   2.805   6.353   7.010
   98   1HD1  ILE  11          1HD1      ILE  11   5.872   6.427   3.604
   99   2HD1  ILE  11          2HD1      ILE  11   4.830   7.827   3.347
  100   3HD1  ILE  11          3HD1      ILE  11   4.498   6.314   2.504
  101    H    CYS  12           H        CYS  12   2.631   7.699   1.665
  102    HA   CYS  12           HA       CYS  12   0.230   6.047   1.504
  103   1HB   CYS  12          2HB       CYS  12   0.654   7.880  -0.163
  104   2HB   CYS  12          1HB       CYS  12   2.027   6.952  -0.752
  105    H    TYR  13           H        TYR  13   0.842   4.127   2.433
  106    HA   TYR  13           HA       TYR  13   3.254   2.768   1.672
  107   1HB   TYR  13          2HB       TYR  13   0.846   1.819   3.237
  108   2HB   TYR  13          1HB       TYR  13   2.349   0.920   3.055
  109    HD1  TYR  13           1HD      TYR  13   4.514   2.211   3.784
  110    HD2  TYR  13           2HD      TYR  13   0.585   3.196   5.081
  111    HE1  TYR  13           1HE      TYR  13   5.456   3.375   5.728
  112    HE2  TYR  13           2HE      TYR  13   1.516   4.363   7.034
  113    HH   TYR  13           HH       TYR  13   4.563   5.361   7.300
  114    H    ARG  14           H        ARG  14   3.499   1.084   0.259
  115    HA   ARG  14           HA       ARG  14   1.188   0.508  -1.468
  116   1HB   ARG  14          2HB       ARG  14   3.124   1.566  -2.570
  117   2HB   ARG  14          1HB       ARG  14   4.135   0.220  -2.062
  118   1HG   ARG  14          2HG       ARG  14   1.742  -0.585  -3.535
  119   2HG   ARG  14          1HG       ARG  14   2.858   0.419  -4.461
  120   1HD   ARG  14          2HD       ARG  14   3.564  -2.116  -2.988
  121   2HD   ARG  14          1HD       ARG  14   3.357  -1.960  -4.731
  122    HE   ARG  14           HE       ARG  14   5.264  -0.132  -4.188
  123   1HH1  ARG  14          1HH1      ARG  14   4.928  -3.511  -3.384
  124   2HH1  ARG  14          2HH1      ARG  14   6.635  -3.803  -3.363
  125   1HH2  ARG  14          1HH2      ARG  14   7.509  -0.515  -4.162
  126   2HH2  ARG  14          2HH2      ARG  14   8.100  -2.103  -3.804
  127    H    ARG  15           H        ARG  15   0.264  -1.374  -1.193
  128    HA   ARG  15           HA       ARG  15   0.280  -3.397   0.273
  129   1HB   ARG  15          2HB       ARG  15  -0.047  -3.267  -2.549
  130   2HB   ARG  15          1HB       ARG  15   0.735  -4.794  -2.166
  131   1HG   ARG  15          2HG       ARG  15  -1.317  -5.564  -1.792
  132   2HG   ARG  15          1HG       ARG  15  -1.251  -4.654  -0.282
  133   1HD   ARG  15          2HD       ARG  15  -2.111  -2.676  -1.688
  134   2HD   ARG  15          1HD       ARG  15  -2.540  -3.901  -2.883
  135    HE   ARG  15           HE       ARG  15  -3.656  -4.843  -0.608
  136   1HH1  ARG  15          1HH1      ARG  15  -3.807  -1.760  -2.238
  137   2HH1  ARG  15          2HH1      ARG  15  -5.408  -1.404  -1.683
  138   1HH2  ARG  15          1HH2      ARG  15  -5.762  -4.376   0.123
  139   2HH2  ARG  15          2HH2      ARG  15  -6.518  -2.888  -0.342
  140    H    CYS  16           H        CYS  16   1.581  -4.635   1.424
  141    HA   CYS  16           HA       CYS  16   3.342  -5.914   2.081
  142   1HB   CYS  16          2HB       CYS  16   3.327  -6.209  -0.824
  143   2HB   CYS  16          1HB       CYS  16   4.937  -6.392  -0.135
  144    H    ARG  17           H        ARG  17   4.585  -4.680   3.338
  145    HA   ARG  17           HA       ARG  17   5.930  -2.354   2.591
  146   1HB   ARG  17          2HB       ARG  17   6.170  -4.259   4.884
  147   2HB   ARG  17          1HB       ARG  17   7.390  -3.009   4.684
  148   1HG   ARG  17          2HG       ARG  17   4.471  -2.336   4.712
  149   2HG   ARG  17          1HG       ARG  17   5.388  -2.530   6.208
  150   1HD   ARG  17          2HD       ARG  17   6.912  -0.882   4.484
  151   2HD   ARG  17          1HD       ARG  17   5.256  -0.279   4.462
  152    HE   ARG  17           HE       ARG  17   7.106  -0.193   6.661
  153   1HH1  ARG  17          1HH1      ARG  17   3.739  -0.137   5.743
  154   2HH1  ARG  17          2HH1      ARG  17   3.231   0.678   7.183
  155   1HH2  ARG  17          1HH2      ARG  17   6.439   0.878   8.557
  156   2HH2  ARG  17          2HH2      ARG  17   4.763   1.255   8.782
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1  -8.139  -6.918   9.349
    2   2H    LYS   1          2HT       LYS   1  -8.951  -6.165   8.037
    3   3H    LYS   1          3HT       LYS   1  -8.578  -5.265   9.448
    4    HA   LYS   1           HA       LYS   1  -6.617  -6.467   7.612
    5   1HB   LYS   1          2HB       LYS   1  -7.969  -3.818   7.777
    6   2HB   LYS   1          1HB       LYS   1  -6.259  -3.830   7.365
    7   1HG   LYS   1          2HG       LYS   1  -7.695  -5.795   5.823
    8   2HG   LYS   1          1HG       LYS   1  -8.416  -4.194   5.642
    9   1HD   LYS   1          2HD       LYS   1  -6.688  -4.599   3.955
   10   2HD   LYS   1          1HD       LYS   1  -6.245  -3.271   5.029
   11   1HE   LYS   1          2HE       LYS   1  -4.425  -4.340   5.757
   12   2HE   LYS   1          1HE       LYS   1  -5.311  -5.845   6.002
   13   1HZ   LYS   1          1HZ       LYS   1  -3.416  -5.551   4.172
   14   2HZ   LYS   1          2HZ       LYS   1  -4.760  -5.117   3.242
   15   3HZ   LYS   1          3HZ       LYS   1  -4.708  -6.630   3.996
   16    H    TRP   2           H        TRP   2  -4.478  -5.267   7.948
   17    HA   TRP   2           HA       TRP   2  -3.836  -5.424  10.767
   18   1HB   TRP   2          2HB       TRP   2  -2.435  -5.880   8.318
   19   2HB   TRP   2          1HB       TRP   2  -1.554  -4.676   9.254
   20    HD1  TRP   2           HD       TRP   2  -3.384  -7.894  10.441
   21    HE1  TRP   2           1HE      TRP   2  -1.713  -9.285  11.821
   22    HE3  TRP   2           3HE      TRP   2   0.758  -4.935   9.934
   23    HZ2  TRP   2           2HZ      TRP   2   0.999  -9.146  12.591
   24    HZ3  TRP   2           3HZ      TRP   2   2.849  -5.636  11.023
   25    HH2  TRP   2           HH       TRP   2   2.965  -7.697  12.325
   26    H    CYS   3           H        CYS   3  -3.448  -3.091   8.160
   27    HA   CYS   3           HA       CYS   3  -3.814  -0.911  10.024
   28   1HB   CYS   3          2HB       CYS   3  -1.270  -1.209   8.435
   29   2HB   CYS   3          1HB       CYS   3  -1.749   0.259   9.276
   30    H    PHE   4           H        PHE   4  -2.338  -0.937   6.829
   31    HA   PHE   4           HA       PHE   4  -4.663  -0.351   5.366
   32   1HB   PHE   4          2HB       PHE   4  -4.381   2.038   4.950
   33   2HB   PHE   4          1HB       PHE   4  -4.638   1.734   6.666
   34    HD1  PHE   4           1HD      PHE   4  -2.733   1.882   8.240
   35    HD2  PHE   4           2HD      PHE   4  -2.381   3.021   4.155
   36    HE1  PHE   4           1HE      PHE   4  -0.679   3.129   8.769
   37    HE2  PHE   4           2HE      PHE   4  -0.326   4.270   4.676
   38    HZ   PHE   4           HZ       PHE   4   0.528   4.324   6.986
   39    H    ARG   5           H        ARG   5  -4.118  -1.197   3.482
   40    HA   ARG   5           HA       ARG   5  -1.361  -1.032   2.535
   41   1HB   ARG   5          2HB       ARG   5  -3.091  -3.099   2.516
   42   2HB   ARG   5          1HB       ARG   5  -3.430  -2.424   0.929
   43   1HG   ARG   5          2HG       ARG   5  -0.671  -3.150   1.876
   44   2HG   ARG   5          1HG       ARG   5  -1.716  -4.238   0.965
   45   1HD   ARG   5          2HD       ARG   5  -1.579  -1.680  -0.334
   46   2HD   ARG   5          1HD       ARG   5   0.045  -2.297  -0.041
   47    HE   ARG   5           HE       ARG   5  -1.894  -3.330  -1.886
   48   1HH1  ARG   5          1HH1      ARG   5   0.898  -4.122   0.055
   49   2HH1  ARG   5          2HH1      ARG   5   1.370  -5.456  -0.944
   50   1HH2  ARG   5          1HH2      ARG   5  -1.272  -5.083  -3.201
   51   2HH2  ARG   5          2HH2      ARG   5   0.139  -6.001  -2.794
   52    H    VAL   6           H        VAL   6  -1.711   1.349   2.220
   53    HA   VAL   6           HA       VAL   6  -1.899   1.991  -0.478
   54    HB   VAL   6           HB       VAL   6  -4.407   1.499   0.249
   55   1HG1  VAL   6          1HG1      VAL   6  -4.449   4.447   0.670
   56   2HG1  VAL   6          2HG1      VAL   6  -4.102   3.383   2.033
   57   3HG1  VAL   6          3HG1      VAL   6  -5.621   3.220   1.154
   58   1HG2  VAL   6          1HG2      VAL   6  -3.154   3.180  -1.749
   59   2HG2  VAL   6          2HG2      VAL   6  -4.800   3.696  -1.385
   60   3HG2  VAL   6          3HG2      VAL   6  -4.489   2.039  -1.906
   61    H    CYS   7           H        CYS   7  -2.742   4.623  -0.457
   62    HA   CYS   7           HA       CYS   7  -0.704   5.821   1.241
   63   1HB   CYS   7          2HB       CYS   7  -2.333   7.195  -0.891
   64   2HB   CYS   7          1HB       CYS   7  -0.813   7.732  -0.187
   65    H    TYR   8           H        TYR   8  -1.233   6.619   3.139
   66    HA   TYR   8           HA       TYR   8  -3.916   7.790   3.487
   67   1HB   TYR   8          2HB       TYR   8  -2.385   5.880   5.152
   68   2HB   TYR   8          1HB       TYR   8  -3.213   7.163   6.026
   69    HD1  TYR   8           1HD      TYR   8  -5.037   6.159   7.054
   70    HD2  TYR   8           2HD      TYR   8  -4.239   5.289   2.968
   71    HE1  TYR   8           1HE      TYR   8  -7.140   4.893   6.919
   72    HE2  TYR   8           2HE      TYR   8  -6.341   4.021   2.820
   73    HH   TYR   8           HH       TYR   8  -7.849   2.739   4.666
   74    H    ARG   9           H        ARG   9  -3.863   9.197   5.615
   75    HA   ARG   9           HA       ARG   9  -3.352  11.380   6.170
   76   1HB   ARG   9          2HB       ARG   9  -0.781  11.076   7.169
   77   2HB   ARG   9          1HB       ARG   9  -2.283  10.795   8.038
   78   1HG   ARG   9          2HG       ARG   9  -2.218   8.463   7.558
   79   2HG   ARG   9          1HG       ARG   9  -0.867   8.675   6.443
   80   1HD   ARG   9          2HD       ARG   9  -0.325   7.778   8.752
   81   2HD   ARG   9          1HD       ARG   9   0.634   9.140   8.178
   82    HE   ARG   9           HE       ARG   9  -0.270  10.449   9.836
   83   1HH1  ARG   9          1HH1      ARG   9  -2.070   7.468   9.610
   84   2HH1  ARG   9          2HH1      ARG   9  -2.954   7.746  11.072
   85   1HH2  ARG   9          1HH2      ARG   9  -1.431  10.815  11.759
   86   2HH2  ARG   9          2HH2      ARG   9  -2.592   9.646  12.291
   87    H    GLY  10           H        GLY  10   0.031  10.651   5.491
   88   1HA   GLY  10          2HA       GLY  10  -0.036  12.389   3.137
   89   2HA   GLY  10          1HA       GLY  10   0.964  12.889   4.492
   90    H    ILE  11           H        ILE  11   0.697   9.507   4.010
   91    HA   ILE  11           HA       ILE  11   3.021   9.334   2.285
   92    HB   ILE  11           HB       ILE  11   3.872   9.630   4.646
   93   1HG1  ILE  11          2HG1      ILE  11   5.054   8.439   2.701
   94   2HG1  ILE  11          1HG1      ILE  11   5.666   8.152   4.326
   95   1HG2  ILE  11          1HG2      ILE  11   3.714   7.815   6.208
   96   2HG2  ILE  11          2HG2      ILE  11   2.803   6.843   5.051
   97   3HG2  ILE  11          3HG2      ILE  11   2.087   8.305   5.733
   98   1HD1  ILE  11          1HD1      ILE  11   5.406   5.980   4.056
   99   2HD1  ILE  11          2HD1      ILE  11   4.853   6.267   2.407
  100   3HD1  ILE  11          3HD1      ILE  11   3.687   6.194   3.727
  101    H    CYS  12           H        CYS  12   3.345   7.204   1.436
  102    HA   CYS  12           HA       CYS  12   0.950   5.535   1.675
  103   1HB   CYS  12          2HB       CYS  12   1.999   6.529  -0.577
  104   2HB   CYS  12          1HB       CYS  12   2.931   5.039  -0.483
  105    H    TYR  13           H        TYR  13   1.080   3.783   2.858
  106    HA   TYR  13           HA       TYR  13   3.686   2.436   3.071
  107   1HB   TYR  13          2HB       TYR  13   1.833   3.348   5.129
  108   2HB   TYR  13          1HB       TYR  13   2.229   1.643   5.300
  109    HD1  TYR  13           1HD      TYR  13   4.607   4.048   3.866
  110    HD2  TYR  13           2HD      TYR  13   3.420   1.955   7.375
  111    HE1  TYR  13           1HE      TYR  13   6.736   4.650   4.940
  112    HE2  TYR  13           2HE      TYR  13   5.543   2.552   8.459
  113    HH   TYR  13           HH       TYR  13   7.642   4.905   7.220
  114    H    ARG  14           H        ARG  14   3.692   0.160   3.179
  115    HA   ARG  14           HA       ARG  14   1.880  -1.136   1.476
  116   1HB   ARG  14          2HB       ARG  14   4.335  -1.730   2.534
  117   2HB   ARG  14          1HB       ARG  14   3.298  -2.866   3.386
  118   1HG   ARG  14          2HG       ARG  14   2.469  -3.721   1.258
  119   2HG   ARG  14          1HG       ARG  14   3.493  -2.572   0.394
  120   1HD   ARG  14          2HD       ARG  14   5.244  -3.934   0.545
  121   2HD   ARG  14          1HD       ARG  14   5.054  -4.064   2.292
  122    HE   ARG  14           HE       ARG  14   3.146  -5.726   1.343
  123   1HH1  ARG  14          1HH1      ARG  14   6.566  -5.427   0.716
  124   2HH1  ARG  14          2HH1      ARG  14   6.778  -7.111   0.377
  125   1HH2  ARG  14          1HH2      ARG  14   3.424  -7.942   0.899
  126   2HH2  ARG  14          2HH2      ARG  14   4.995  -8.539   0.481
  127    H    ARG  15           H        ARG  15   1.490  -3.610   2.998
  128    HA   ARG  15           HA       ARG  15  -1.090  -3.363   3.836
  129   1HB   ARG  15          2HB       ARG  15  -0.045  -5.522   3.500
  130   2HB   ARG  15          1HB       ARG  15   1.016  -5.259   4.877
  131   1HG   ARG  15          2HG       ARG  15  -1.565  -4.958   5.887
  132   2HG   ARG  15          1HG       ARG  15  -1.651  -6.339   4.791
  133   1HD   ARG  15          2HD       ARG  15   0.564  -6.091   6.796
  134   2HD   ARG  15          1HD       ARG  15  -1.007  -6.742   7.260
  135    HE   ARG  15           HE       ARG  15  -0.296  -8.155   5.028
  136   1HH1  ARG  15          1HH1      ARG  15   1.151  -7.568   8.149
  137   2HH1  ARG  15          2HH1      ARG  15   1.978  -9.088   8.192
  138   1HH2  ARG  15          1HH2      ARG  15   0.791 -10.155   5.081
  139   2HH2  ARG  15          2HH2      ARG  15   1.775 -10.557   6.450
  140    H    CYS  16           H        CYS  16   1.776  -2.552   5.598
  141    HA   CYS  16           HA       CYS  16   0.480  -0.905   7.428
  142   1HB   CYS  16          2HB       CYS  16  -0.433  -2.910   8.435
  143   2HB   CYS  16          1HB       CYS  16   1.171  -3.628   8.531
  144    H    ARG  17           H        ARG  17   3.005  -3.198   8.247
  145    HA   ARG  17           HA       ARG  17   5.207  -2.952   8.754
  146   1HB   ARG  17          2HB       ARG  17   4.752  -1.442   6.351
  147   2HB   ARG  17          1HB       ARG  17   5.976  -0.638   7.323
  148   1HG   ARG  17          2HG       ARG  17   7.506  -2.218   6.924
  149   2HG   ARG  17          1HG       ARG  17   6.343  -3.531   7.109
  150   1HD   ARG  17          2HD       ARG  17   5.670  -2.142   4.740
  151   2HD   ARG  17          1HD       ARG  17   7.413  -2.399   4.715
  152    HE   ARG  17           HE       ARG  17   7.042  -4.634   4.417
  153   1HH1  ARG  17          1HH1      ARG  17   4.088  -3.149   5.528
  154   2HH1  ARG  17          2HH1      ARG  17   3.134  -4.573   5.288
  155   1HH2  ARG  17          1HH2      ARG  17   5.789  -6.509   4.100
  156   2HH2  ARG  17          2HH2      ARG  17   4.099  -6.482   4.477
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1  -0.339  -2.872   9.137
    2   2H    LYS   1          2HT       LYS   1  -1.229  -3.679   7.912
    3   3H    LYS   1          3HT       LYS   1  -1.877  -2.280   8.667
    4    HA   LYS   1           HA       LYS   1  -1.135  -1.520   6.670
    5   1HB   LYS   1          2HB       LYS   1   0.664  -0.033   7.271
    6   2HB   LYS   1          1HB       LYS   1  -0.376  -0.249   8.672
    7   1HG   LYS   1          2HG       LYS   1   1.528  -2.227   8.969
    8   2HG   LYS   1          1HG       LYS   1   2.438  -0.858   8.332
    9   1HD   LYS   1          2HD       LYS   1   2.539  -0.299  10.526
   10   2HD   LYS   1          1HD       LYS   1   0.967   0.418  10.170
   11   1HE   LYS   1          2HE       LYS   1   0.913  -2.429  10.902
   12   2HE   LYS   1          1HE       LYS   1   1.432  -1.335  12.183
   13   1HZ   LYS   1          1HZ       LYS   1  -0.923  -0.506  10.709
   14   2HZ   LYS   1          2HZ       LYS   1  -0.608  -0.448  12.369
   15   3HZ   LYS   1          3HZ       LYS   1  -1.116  -1.895  11.656
   16    H    TRP   2           H        TRP   2   0.725  -4.126   7.881
   17    HA   TRP   2           HA       TRP   2   2.913  -4.125   6.151
   18   1HB   TRP   2          2HB       TRP   2   1.559  -6.094   7.863
   19   2HB   TRP   2          1HB       TRP   2   2.443  -6.785   6.507
   20    HD1  TRP   2           HD       TRP   2   3.088  -6.505   9.887
   21    HE1  TRP   2           1HE      TRP   2   5.541  -5.981  10.462
   22    HE3  TRP   2           3HE      TRP   2   4.636  -4.761   5.336
   23    HZ2  TRP   2           2HZ      TRP   2   7.831  -4.964   9.160
   24    HZ3  TRP   2           3HZ      TRP   2   6.972  -4.032   5.085
   25    HH2  TRP   2           HH       TRP   2   8.536  -4.132   6.958
   26    H    CYS   3           H        CYS   3   0.315  -6.465   5.836
   27    HA   CYS   3           HA       CYS   3   0.627  -6.373   2.932
   28   1HB   CYS   3          2HB       CYS   3   0.414  -8.496   4.656
   29   2HB   CYS   3          1HB       CYS   3  -1.231  -8.358   4.045
   30    H    PHE   4           H        PHE   4  -0.798  -4.282   4.427
   31    HA   PHE   4           HA       PHE   4  -3.508  -4.661   3.347
   32   1HB   PHE   4          2HB       PHE   4  -2.545  -3.602   5.868
   33   2HB   PHE   4          1HB       PHE   4  -3.576  -2.439   5.041
   34    HD1  PHE   4           1HD      PHE   4  -3.614  -4.916   7.400
   35    HD2  PHE   4           2HD      PHE   4  -5.719  -3.706   3.903
   36    HE1  PHE   4           1HE      PHE   4  -5.604  -6.136   8.178
   37    HE2  PHE   4           2HE      PHE   4  -7.711  -4.924   4.677
   38    HZ   PHE   4           HZ       PHE   4  -7.657  -6.141   6.816
   39    H    ARG   5           H        ARG   5  -0.663  -2.714   3.255
   40    HA   ARG   5           HA       ARG   5  -0.034  -0.928   1.998
   41   1HB   ARG   5          2HB       ARG   5  -2.316  -1.729   0.187
   42   2HB   ARG   5          1HB       ARG   5  -0.872  -0.830  -0.258
   43   1HG   ARG   5          2HG       ARG   5   0.301  -2.684  -0.593
   44   2HG   ARG   5          1HG       ARG   5  -0.226  -3.387   0.937
   45   1HD   ARG   5          2HD       ARG   5  -2.493  -3.660  -0.434
   46   2HD   ARG   5          1HD       ARG   5  -1.362  -3.676  -1.788
   47    HE   ARG   5           HE       ARG   5  -0.652  -5.454   0.366
   48   1HH1  ARG   5          1HH1      ARG   5  -2.465  -5.108  -2.598
   49   2HH1  ARG   5          2HH1      ARG   5  -2.481  -6.805  -2.933
   50   1HH2  ARG   5          1HH2      ARG   5  -0.671  -7.687  -0.076
   51   2HH2  ARG   5          2HH2      ARG   5  -1.463  -8.271  -1.501
   52    H    VAL   6           H        VAL   6  -2.112   0.540   0.256
   53    HA   VAL   6           HA       VAL   6  -3.651   2.221   0.435
   54    HB   VAL   6           HB       VAL   6  -3.888   1.699   3.393
   55   1HG1  VAL   6          1HG1      VAL   6  -6.336   2.415   2.545
   56   2HG1  VAL   6          2HG1      VAL   6  -5.339   3.282   1.375
   57   3HG1  VAL   6          3HG1      VAL   6  -5.121   3.565   3.101
   58   1HG2  VAL   6          1HG2      VAL   6  -4.876   0.094   1.115
   59   2HG2  VAL   6          2HG2      VAL   6  -6.019   0.408   2.419
   60   3HG2  VAL   6          3HG2      VAL   6  -4.487  -0.394   2.763
   61    H    CYS   7           H        CYS   7  -3.632   4.437   1.021
   62    HA   CYS   7           HA       CYS   7  -1.212   5.260   2.486
   63   1HB   CYS   7          2HB       CYS   7  -0.892   5.764   0.156
   64   2HB   CYS   7          1HB       CYS   7  -2.485   6.504   0.042
   65    H    TYR   8           H        TYR   8  -1.317   7.269   3.621
   66    HA   TYR   8           HA       TYR   8  -4.029   8.216   4.219
   67   1HB   TYR   8          2HB       TYR   8  -2.126   6.943   6.045
   68   2HB   TYR   8          1HB       TYR   8  -2.718   8.493   6.630
   69    HD1  TYR   8           1HD      TYR   8  -5.269   8.831   6.679
   70    HD2  TYR   8           2HD      TYR   8  -3.422   5.017   6.295
   71    HE1  TYR   8           1HE      TYR   8  -7.347   7.756   7.435
   72    HE2  TYR   8           2HE      TYR   8  -5.495   3.931   7.050
   73    HH   TYR   8           HH       TYR   8  -8.105   5.696   8.412
   74    H    ARG   9           H        ARG   9  -2.868   9.664   2.491
   75    HA   ARG   9           HA       ARG   9  -2.016  11.686   1.922
   76   1HB   ARG   9          2HB       ARG   9  -3.529  12.024   4.337
   77   2HB   ARG   9          1HB       ARG   9  -2.190  13.163   4.324
   78   1HG   ARG   9          2HG       ARG   9  -4.093  12.837   2.022
   79   2HG   ARG   9          1HG       ARG   9  -4.337  13.995   3.333
   80   1HD   ARG   9          2HD       ARG   9  -2.121  13.909   1.303
   81   2HD   ARG   9          1HD       ARG   9  -3.291  15.195   1.590
   82    HE   ARG   9           HE       ARG   9  -0.834  14.736   3.009
   83   1HH1  ARG   9          1HH1      ARG   9  -4.005  16.182   3.175
   84   2HH1  ARG   9          2HH1      ARG   9  -3.556  17.328   4.392
   85   1HH2  ARG   9          1HH2      ARG   9  -0.242  16.241   4.612
   86   2HH2  ARG   9          2HH2      ARG   9  -1.420  17.361   5.209
   87    H    GLY  10           H        GLY  10  -1.042  11.910   5.322
   88   1HA   GLY  10          2HA       GLY  10   1.481  12.943   4.817
   89   2HA   GLY  10          1HA       GLY  10   1.017  12.130   6.301
   90    H    ILE  11           H        ILE  11   0.455   9.617   4.717
   91    HA   ILE  11           HA       ILE  11   3.099   8.869   3.796
   92    HB   ILE  11           HB       ILE  11   3.214   8.532   6.231
   93   1HG1  ILE  11          2HG1      ILE  11   4.061   6.269   6.180
   94   2HG1  ILE  11          1HG1      ILE  11   3.091   5.893   4.757
   95   1HG2  ILE  11          1HG2      ILE  11   1.788   7.115   7.424
   96   2HG2  ILE  11          2HG2      ILE  11   1.132   6.390   5.955
   97   3HG2  ILE  11          3HG2      ILE  11   0.708   8.048   6.384
   98   1HD1  ILE  11          1HD1      ILE  11   4.772   8.171   4.271
   99   2HD1  ILE  11          2HD1      ILE  11   4.676   6.636   3.408
  100   3HD1  ILE  11          3HD1      ILE  11   5.721   6.789   4.820
  101    H    CYS  12           H        CYS  12   3.095   7.194   2.364
  102    HA   CYS  12           HA       CYS  12   0.503   5.888   1.863
  103   1HB   CYS  12          2HB       CYS  12   2.632   6.648  -0.147
  104   2HB   CYS  12          1HB       CYS  12   1.163   5.755  -0.518
  105    H    TYR  13           H        TYR  13   0.575   3.720   1.043
  106    HA   TYR  13           HA       TYR  13   3.111   2.306   1.260
  107   1HB   TYR  13          2HB       TYR  13   0.910   2.106   3.215
  108   2HB   TYR  13          1HB       TYR  13   1.546   0.566   2.645
  109    HD1  TYR  13           1HD      TYR  13   3.523  -0.300   3.543
  110    HD2  TYR  13           2HD      TYR  13   2.581   3.805   4.149
  111    HE1  TYR  13           1HE      TYR  13   5.408  -0.104   5.108
  112    HE2  TYR  13           2HE      TYR  13   4.466   4.012   5.713
  113    HH   TYR  13           HH       TYR  13   6.161   1.287   6.923
  114    H    ARG  14           H        ARG  14   3.266   0.675  -0.176
  115    HA   ARG  14           HA       ARG  14   0.875  -0.593  -1.232
  116   1HB   ARG  14          2HB       ARG  14   1.533  -0.152  -3.584
  117   2HB   ARG  14          1HB       ARG  14   1.071   1.303  -2.713
  118   1HG   ARG  14          2HG       ARG  14   3.482   1.780  -2.349
  119   2HG   ARG  14          1HG       ARG  14   3.863   0.396  -3.375
  120   1HD   ARG  14          2HD       ARG  14   1.976   2.397  -4.468
  121   2HD   ARG  14          1HD       ARG  14   3.659   2.898  -4.308
  122    HE   ARG  14           HE       ARG  14   3.471   0.361  -5.564
  123   1HH1  ARG  14          1HH1      ARG  14   3.028   3.770  -6.158
  124   2HH1  ARG  14          2HH1      ARG  14   3.347   3.643  -7.856
  125   1HH2  ARG  14          1HH2      ARG  14   3.891   0.191  -7.795
  126   2HH2  ARG  14          2HH2      ARG  14   3.836   1.611  -8.786
  127    H    ARG  15           H        ARG  15   2.417  -1.992   0.278
  128    HA   ARG  15           HA       ARG  15   3.558  -3.958  -1.448
  129   1HB   ARG  15          2HB       ARG  15   5.808  -3.845  -0.103
  130   2HB   ARG  15          1HB       ARG  15   5.567  -2.833  -1.519
  131   1HG   ARG  15          2HG       ARG  15   4.638  -1.504   0.866
  132   2HG   ARG  15          1HG       ARG  15   6.318  -2.017   1.033
  133   1HD   ARG  15          2HD       ARG  15   5.138  -0.300  -1.146
  134   2HD   ARG  15          1HD       ARG  15   6.279   0.197   0.104
  135    HE   ARG  15           HE       ARG  15   7.628  -1.752  -1.159
  136   1HH1  ARG  15          1HH1      ARG  15   5.918   1.049  -2.350
  137   2HH1  ARG  15          2HH1      ARG  15   6.936   1.233  -3.737
  138   1HH2  ARG  15          1HH2      ARG  15   8.967  -1.508  -2.985
  139   2HH2  ARG  15          2HH2      ARG  15   8.666  -0.217  -4.099
  140    H    CYS  16           H        CYS  16   4.319  -5.867  -0.246
  141    HA   CYS  16           HA       CYS  16   3.056  -6.033   2.412
  142   1HB   CYS  16          2HB       CYS  16   1.801  -7.297   0.722
  143   2HB   CYS  16          1HB       CYS  16   3.256  -8.192   0.301
  144    H    ARG  17           H        ARG  17   4.516  -6.240   3.959
  145    HA   ARG  17           HA       ARG  17   6.362  -6.867   5.131
  146   1HB   ARG  17          2HB       ARG  17   6.566  -9.136   3.146
  147   2HB   ARG  17          1HB       ARG  17   7.246  -9.082   4.767
  148   1HG   ARG  17          2HG       ARG  17   4.308  -8.764   4.462
  149   2HG   ARG  17          1HG       ARG  17   5.011 -10.369   4.250
  150   1HD   ARG  17          2HD       ARG  17   5.427 -10.601   6.440
  151   2HD   ARG  17          1HD       ARG  17   6.020  -8.947   6.594
  152    HE   ARG  17           HE       ARG  17   3.970  -8.350   7.387
  153   1HH1  ARG  17          1HH1      ARG  17   3.629 -11.342   5.625
  154   2HH1  ARG  17          2HH1      ARG  17   1.962 -11.546   6.047
  155   1HH2  ARG  17          1HH2      ARG  17   1.778  -8.615   7.943
  156   2HH2  ARG  17          2HH2      ARG  17   0.911  -9.997   7.363
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1   6.807  -7.881   6.367
    2   2H    LYS   1          2HT       LYS   1   5.723  -9.044   7.014
    3   3H    LYS   1          3HT       LYS   1   7.416  -9.244   7.208
    4    HA   LYS   1           HA       LYS   1   6.155  -8.435   9.172
    5   1HB   LYS   1          2HB       LYS   1   7.967  -6.827   9.718
    6   2HB   LYS   1          1HB       LYS   1   8.567  -8.318   9.005
    7   1HG   LYS   1          2HG       LYS   1   9.439  -7.263   7.243
    8   2HG   LYS   1          1HG       LYS   1   8.024  -6.226   7.046
    9   1HD   LYS   1          2HD       LYS   1   9.399  -4.585   7.729
   10   2HD   LYS   1          1HD       LYS   1   9.106  -5.238   9.341
   11   1HE   LYS   1          2HE       LYS   1  11.221  -6.634   7.894
   12   2HE   LYS   1          1HE       LYS   1  11.563  -4.924   8.151
   13   1HZ   LYS   1          1HZ       LYS   1  11.600  -5.175  10.409
   14   2HZ   LYS   1          2HZ       LYS   1  12.201  -6.685   9.940
   15   3HZ   LYS   1          3HZ       LYS   1  10.582  -6.527  10.406
   16    H    TRP   2           H        TRP   2   4.053  -7.655   8.303
   17    HA   TRP   2           HA       TRP   2   2.469  -6.034   8.100
   18   1HB   TRP   2          2HB       TRP   2   3.638  -5.240  10.202
   19   2HB   TRP   2          1HB       TRP   2   4.542  -4.123   9.185
   20    HD1  TRP   2           HD       TRP   2   0.739  -4.930   9.226
   21    HE1  TRP   2           1HE      TRP   2  -0.532  -2.705   9.467
   22    HE3  TRP   2           3HE      TRP   2   4.726  -1.751   9.624
   23    HZ2  TRP   2           2HZ      TRP   2   0.072   0.033   9.784
   24    HZ3  TRP   2           3HZ      TRP   2   4.292   0.655   9.894
   25    HH2  TRP   2           HH       TRP   2   2.012   1.528   9.970
   26    H    CYS   3           H        CYS   3   2.581  -6.201   5.797
   27    HA   CYS   3           HA       CYS   3   4.195  -4.203   4.420
   28   1HB   CYS   3          2HB       CYS   3   3.297  -6.803   3.762
   29   2HB   CYS   3          1HB       CYS   3   2.527  -5.696   2.629
   30    H    PHE   4           H        PHE   4   0.907  -4.833   5.322
   31    HA   PHE   4           HA       PHE   4  -1.068  -3.759   4.901
   32   1HB   PHE   4          2HB       PHE   4  -0.737  -1.168   5.009
   33   2HB   PHE   4          1HB       PHE   4  -0.381  -2.152   6.422
   34    HD1  PHE   4           1HD      PHE   4   1.901  -2.498   7.156
   35    HD2  PHE   4           2HD      PHE   4   1.021  -0.095   3.757
   36    HE1  PHE   4           1HE      PHE   4   4.179  -1.572   7.225
   37    HE2  PHE   4           2HE      PHE   4   3.298   0.836   3.821
   38    HZ   PHE   4           HZ       PHE   4   4.881   0.097   5.557
   39    H    ARG   5           H        ARG   5  -1.883  -1.556   3.588
   40    HA   ARG   5           HA       ARG   5  -0.772  -1.122   1.043
   41   1HB   ARG   5          2HB       ARG   5  -1.376  -3.392   0.530
   42   2HB   ARG   5          1HB       ARG   5  -2.995  -3.162   1.175
   43   1HG   ARG   5          2HG       ARG   5  -2.917  -3.189  -1.289
   44   2HG   ARG   5          1HG       ARG   5  -3.566  -1.686  -0.631
   45   1HD   ARG   5          2HD       ARG   5  -1.534  -0.527  -1.058
   46   2HD   ARG   5          1HD       ARG   5  -0.687  -2.026  -1.440
   47    HE   ARG   5           HE       ARG   5  -2.603  -2.010  -3.300
   48   1HH1  ARG   5          1HH1      ARG   5  -0.410   0.499  -2.257
   49   2HH1  ARG   5          2HH1      ARG   5  -0.367   1.274  -3.804
   50   1HH2  ARG   5          1HH2      ARG   5  -2.546  -0.991  -5.333
   51   2HH2  ARG   5          2HH2      ARG   5  -1.580   0.431  -5.549
   52    H    VAL   6           H        VAL   6  -1.284   0.992   1.626
   53    HA   VAL   6           HA       VAL   6  -3.705   2.014   0.676
   54    HB   VAL   6           HB       VAL   6  -4.675   1.026   2.705
   55   1HG1  VAL   6          1HG1      VAL   6  -3.046   2.954   4.330
   56   2HG1  VAL   6          2HG1      VAL   6  -2.515   1.297   4.030
   57   3HG1  VAL   6          3HG1      VAL   6  -4.028   1.598   4.884
   58   1HG2  VAL   6          1HG2      VAL   6  -4.589   4.014   2.463
   59   2HG2  VAL   6          2HG2      VAL   6  -5.593   3.218   3.674
   60   3HG2  VAL   6          3HG2      VAL   6  -5.858   2.897   1.960
   61    H    CYS   7           H        CYS   7  -3.537   4.183   0.340
   62    HA   CYS   7           HA       CYS   7  -1.032   5.425   1.137
   63   1HB   CYS   7          2HB       CYS   7  -2.261   5.466  -1.226
   64   2HB   CYS   7          1HB       CYS   7  -3.040   6.876  -0.518
   65    H    TYR   8           H        TYR   8  -0.970   6.442   3.027
   66    HA   TYR   8           HA       TYR   8  -3.392   7.643   4.117
   67   1HB   TYR   8          2HB       TYR   8  -0.751   6.821   5.228
   68   2HB   TYR   8          1HB       TYR   8  -1.630   8.105   6.053
   69    HD1  TYR   8           1HD      TYR   8  -0.925   4.946   6.588
   70    HD2  TYR   8           2HD      TYR   8  -4.413   7.246   5.788
   71    HE1  TYR   8           1HE      TYR   8  -2.295   3.259   7.738
   72    HE2  TYR   8           2HE      TYR   8  -5.792   5.566   6.937
   73    HH   TYR   8           HH       TYR   8  -5.572   3.044   7.449
   74    H    ARG   9           H        ARG   9  -3.514   9.799   4.817
   75    HA   ARG   9           HA       ARG   9  -2.729  11.760   3.096
   76   1HB   ARG   9          2HB       ARG   9  -3.015  13.340   5.094
   77   2HB   ARG   9          1HB       ARG   9  -4.386  12.337   4.645
   78   1HG   ARG   9          2HG       ARG   9  -4.330  11.160   6.563
   79   2HG   ARG   9          1HG       ARG   9  -2.567  11.182   6.651
   80   1HD   ARG   9          2HD       ARG   9  -4.124  13.696   7.098
   81   2HD   ARG   9          1HD       ARG   9  -3.970  12.512   8.396
   82    HE   ARG   9           HE       ARG   9  -1.911  14.245   7.364
   83   1HH1  ARG   9          1HH1      ARG   9  -2.590  11.316   9.137
   84   2HH1  ARG   9          2HH1      ARG   9  -1.066  11.313   9.959
   85   1HH2  ARG   9          1HH2      ARG   9   0.094  14.240   8.444
   86   2HH2  ARG   9          2HH2      ARG   9   0.456  12.972   9.566
   87    H    GLY  10           H        GLY  10  -0.882  10.468   5.795
   88   1HA   GLY  10          2HA       GLY  10   1.147  12.499   5.668
   89   2HA   GLY  10          1HA       GLY  10   1.221  11.006   6.592
   90    H    ILE  11           H        ILE  11   1.003   9.076   4.712
   91    HA   ILE  11           HA       ILE  11   2.873   9.599   2.559
   92    HB   ILE  11           HB       ILE  11   4.686   8.489   3.303
   93   1HG1  ILE  11          2HG1      ILE  11   2.755   6.555   4.571
   94   2HG1  ILE  11          1HG1      ILE  11   3.844   6.278   3.219
   95   1HG2  ILE  11          1HG2      ILE  11   3.311   8.815   5.968
   96   2HG2  ILE  11          2HG2      ILE  11   4.244  10.051   5.122
   97   3HG2  ILE  11          3HG2      ILE  11   5.045   8.597   5.718
   98   1HD1  ILE  11          1HD1      ILE  11   4.717   5.119   5.086
   99   2HD1  ILE  11          2HD1      ILE  11   4.546   6.534   6.127
  100   3HD1  ILE  11          3HD1      ILE  11   5.745   6.532   4.832
  101    H    CYS  12           H        CYS  12   3.305   7.385   1.378
  102    HA   CYS  12           HA       CYS  12   0.672   6.169   1.036
  103   1HB   CYS  12          2HB       CYS  12   2.519   7.066  -0.803
  104   2HB   CYS  12          1HB       CYS  12   2.763   5.322  -0.827
  105    H    TYR  13           H        TYR  13   0.682   4.808   2.845
  106    HA   TYR  13           HA       TYR  13   2.749   2.950   3.399
  107   1HB   TYR  13          2HB       TYR  13  -0.021   3.433   4.353
  108   2HB   TYR  13          1HB       TYR  13   0.629   1.817   4.607
  109    HD1  TYR  13           1HD      TYR  13   2.031   1.390   6.423
  110    HD2  TYR  13           2HD      TYR  13   1.386   5.412   5.198
  111    HE1  TYR  13           1HE      TYR  13   3.245   2.182   8.406
  112    HE2  TYR  13           2HE      TYR  13   2.597   6.215   7.177
  113    HH   TYR  13           HH       TYR  13   3.149   5.361   9.475
  114    H    ARG  14           H        ARG  14   3.315   1.454   1.921
  115    HA   ARG  14           HA       ARG  14   1.617  -0.696   1.307
  116   1HB   ARG  14          2HB       ARG  14   0.439   0.149  -0.403
  117   2HB   ARG  14          1HB       ARG  14   1.453   1.579  -0.492
  118   1HG   ARG  14          2HG       ARG  14   1.553   0.516  -2.602
  119   2HG   ARG  14          1HG       ARG  14   3.099   0.214  -1.810
  120   1HD   ARG  14          2HD       ARG  14   2.798  -1.981  -1.976
  121   2HD   ARG  14          1HD       ARG  14   1.256  -1.868  -1.130
  122    HE   ARG  14           HE       ARG  14   1.133  -1.128  -3.911
  123   1HH1  ARG  14          1HH1      ARG  14   0.924  -3.756  -1.622
  124   2HH1  ARG  14          2HH1      ARG  14  -0.011  -4.763  -2.675
  125   1HH2  ARG  14          1HH2      ARG  14  -0.095  -2.453  -5.295
  126   2HH2  ARG  14          2HH2      ARG  14  -0.589  -4.024  -4.761
  127    H    ARG  15           H        ARG  15   2.705  -2.404   0.348
  128    HA   ARG  15           HA       ARG  15   4.468  -3.676  -0.308
  129   1HB   ARG  15          2HB       ARG  15   4.687  -1.386  -1.835
  130   2HB   ARG  15          1HB       ARG  15   6.280  -1.522  -1.103
  131   1HG   ARG  15          2HG       ARG  15   6.488  -2.690  -3.094
  132   2HG   ARG  15          1HG       ARG  15   6.220  -3.960  -1.900
  133   1HD   ARG  15          2HD       ARG  15   4.021  -2.737  -3.556
  134   2HD   ARG  15          1HD       ARG  15   4.905  -4.186  -4.032
  135    HE   ARG  15           HE       ARG  15   2.862  -3.981  -2.019
  136   1HH1  ARG  15          1HH1      ARG  15   5.618  -5.816  -3.122
  137   2HH1  ARG  15          2HH1      ARG  15   5.113  -7.278  -2.342
  138   1HH2  ARG  15          1HH2      ARG  15   2.197  -5.901  -0.992
  139   2HH2  ARG  15          2HH2      ARG  15   3.172  -7.327  -1.133
  140    H    CYS  16           H        CYS  16   4.295  -2.843   2.371
  141    HA   CYS  16           HA       CYS  16   5.489  -2.894   4.304
  142   1HB   CYS  16          2HB       CYS  16   7.529  -3.991   2.381
  143   2HB   CYS  16          1HB       CYS  16   7.895  -3.779   4.089
  144    H    ARG  17           H        ARG  17   6.460  -1.397   5.534
  145    HA   ARG  17           HA       ARG  17   7.485   0.542   6.130
  146   1HB   ARG  17          2HB       ARG  17   9.241   0.235   3.702
  147   2HB   ARG  17          1HB       ARG  17   9.629   1.004   5.234
  148   1HG   ARG  17          2HG       ARG  17   9.224  -1.944   4.770
  149   2HG   ARG  17          1HG       ARG  17  10.763  -1.122   5.038
  150   1HD   ARG  17          2HD       ARG  17   8.477  -1.367   6.986
  151   2HD   ARG  17          1HD       ARG  17  10.037  -2.176   7.085
  152    HE   ARG  17           HE       ARG  17  11.038   0.028   7.429
  153   1HH1  ARG  17          1HH1      ARG  17   7.588  -0.262   7.950
  154   2HH1  ARG  17          2HH1      ARG  17   7.514   1.109   9.003
  155   1HH2  ARG  17          1HH2      ARG  17  10.926   1.825   8.813
  156   2HH2  ARG  17          2HH2      ARG  17   9.403   2.291   9.491
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1 -10.640  -8.231  -1.225
    2   2H    LYS   1          2HT       LYS   1 -11.271  -8.269  -2.821
    3   3H    LYS   1          3HT       LYS   1 -12.204  -7.607  -1.544
    4    HA   LYS   1           HA       LYS   1  -9.815  -6.531  -2.849
    5   1HB   LYS   1          2HB       LYS   1 -12.465  -5.267  -2.132
    6   2HB   LYS   1          1HB       LYS   1 -11.244  -4.641  -3.231
    7   1HG   LYS   1          2HG       LYS   1 -12.880  -7.130  -3.671
    8   2HG   LYS   1          1HG       LYS   1 -13.168  -5.559  -4.421
    9   1HD   LYS   1          2HD       LYS   1 -10.551  -5.961  -5.030
   10   2HD   LYS   1          1HD       LYS   1 -11.161  -7.617  -5.042
   11   1HE   LYS   1          2HE       LYS   1 -12.477  -7.264  -6.858
   12   2HE   LYS   1          1HE       LYS   1 -12.809  -5.588  -6.425
   13   1HZ   LYS   1          1HZ       LYS   1 -11.471  -5.309  -8.233
   14   2HZ   LYS   1          2HZ       LYS   1 -10.562  -6.706  -7.940
   15   3HZ   LYS   1          3HZ       LYS   1 -10.292  -5.315  -7.018
   16    H    TRP   2           H        TRP   2  -9.976  -3.998  -1.828
   17    HA   TRP   2           HA       TRP   2  -9.252  -2.692  -0.114
   18   1HB   TRP   2          2HB       TRP   2 -11.391  -3.308   0.918
   19   2HB   TRP   2          1HB       TRP   2 -10.658  -4.759   1.593
   20    HD1  TRP   2           HD       TRP   2 -10.416  -4.395   4.110
   21    HE1  TRP   2           1HE      TRP   2  -9.591  -2.490   5.631
   22    HE3  TRP   2           3HE      TRP   2  -9.538  -0.833   0.548
   23    HZ2  TRP   2           2HZ      TRP   2  -8.687   0.170   5.357
   24    HZ3  TRP   2           3HZ      TRP   2  -8.695   1.364   1.262
   25    HH2  TRP   2           HH       TRP   2  -8.278   1.856   3.617
   26    H    CYS   3           H        CYS   3  -7.237  -4.004  -1.063
   27    HA   CYS   3           HA       CYS   3  -5.500  -4.389   1.155
   28   1HB   CYS   3          2HB       CYS   3  -6.872  -6.644   0.678
   29   2HB   CYS   3          1HB       CYS   3  -5.574  -6.861  -0.492
   30    H    PHE   4           H        PHE   4  -5.064  -2.560  -0.560
   31    HA   PHE   4           HA       PHE   4  -2.887  -3.567  -2.244
   32   1HB   PHE   4          2HB       PHE   4  -4.709  -1.399  -3.261
   33   2HB   PHE   4          1HB       PHE   4  -3.557  -2.379  -4.163
   34    HD1  PHE   4           1HD      PHE   4  -6.938  -2.094  -2.957
   35    HD2  PHE   4           2HD      PHE   4  -4.077  -4.776  -4.610
   36    HE1  PHE   4           1HE      PHE   4  -8.751  -3.638  -3.576
   37    HE2  PHE   4           2HE      PHE   4  -5.884  -6.324  -5.234
   38    HZ   PHE   4           HZ       PHE   4  -8.224  -5.757  -4.718
   39    H    ARG   5           H        ARG   5  -2.071  -2.664  -0.020
   40    HA   ARG   5           HA       ARG   5  -0.747  -1.136   1.022
   41   1HB   ARG   5          2HB       ARG   5  -0.619  -0.357  -1.821
   42   2HB   ARG   5          1HB       ARG   5  -0.183   0.911  -0.682
   43   1HG   ARG   5          2HG       ARG   5   1.855   0.034  -0.682
   44   2HG   ARG   5          1HG       ARG   5   1.177  -1.293   0.264
   45   1HD   ARG   5          2HD       ARG   5   0.507  -2.086  -2.223
   46   2HD   ARG   5          1HD       ARG   5   1.989  -1.197  -2.572
   47    HE   ARG   5           HE       ARG   5   3.190  -2.850  -1.532
   48   1HH1  ARG   5          1HH1      ARG   5  -0.188  -3.230  -0.743
   49   2HH1  ARG   5          2HH1      ARG   5   0.037  -4.768   0.021
   50   1HH2  ARG   5          1HH2      ARG   5   3.486  -4.871  -0.530
   51   2HH2  ARG   5          2HH2      ARG   5   2.122  -5.699   0.142
   52    H    VAL   6           H        VAL   6  -1.289   0.360   2.480
   53    HA   VAL   6           HA       VAL   6  -3.751   1.857   2.076
   54    HB   VAL   6           HB       VAL   6  -3.422   0.653   4.198
   55   1HG1  VAL   6          1HG1      VAL   6  -0.841   1.485   4.075
   56   2HG1  VAL   6          2HG1      VAL   6  -1.622   0.851   5.525
   57   3HG1  VAL   6          3HG1      VAL   6  -1.504   2.593   5.276
   58   1HG2  VAL   6          1HG2      VAL   6  -3.946   3.535   4.001
   59   2HG2  VAL   6          2HG2      VAL   6  -3.573   2.960   5.627
   60   3HG2  VAL   6          3HG2      VAL   6  -4.911   2.249   4.726
   61    H    CYS   7           H        CYS   7  -3.857   3.977   1.663
   62    HA   CYS   7           HA       CYS   7  -1.340   5.489   1.665
   63   1HB   CYS   7          2HB       CYS   7  -3.546   5.302  -0.210
   64   2HB   CYS   7          1HB       CYS   7  -3.214   6.973   0.235
   65    H    TYR   8           H        TYR   8  -1.134   6.594   3.492
   66    HA   TYR   8           HA       TYR   8  -3.460   7.724   4.817
   67   1HB   TYR   8          2HB       TYR   8  -0.666   7.127   5.553
   68   2HB   TYR   8          1HB       TYR   8  -1.328   8.586   6.282
   69    HD1  TYR   8           1HD      TYR   8  -1.615   7.979   8.524
   70    HD2  TYR   8           2HD      TYR   8  -3.094   5.413   5.470
   71    HE1  TYR   8           1HE      TYR   8  -2.747   6.615  10.227
   72    HE2  TYR   8           2HE      TYR   8  -4.230   4.041   7.165
   73    HH   TYR   8           HH       TYR   8  -3.949   3.557   9.636
   74    H    ARG   9           H        ARG   9  -3.204  10.011   5.696
   75    HA   ARG   9           HA       ARG   9  -2.916  11.780   3.481
   76   1HB   ARG   9          2HB       ARG   9  -3.559  13.534   5.044
   77   2HB   ARG   9          1HB       ARG   9  -4.599  12.130   5.240
   78   1HG   ARG   9          2HG       ARG   9  -2.590  11.655   7.050
   79   2HG   ARG   9          1HG       ARG   9  -2.798  13.405   7.136
   80   1HD   ARG   9          2HD       ARG   9  -4.573  13.079   8.431
   81   2HD   ARG   9          1HD       ARG   9  -5.386  12.317   7.065
   82    HE   ARG   9           HE       ARG   9  -5.190  10.343   8.170
   83   1HH1  ARG   9          1HH1      ARG   9  -2.641  12.449   9.282
   84   2HH1  ARG   9          2HH1      ARG   9  -2.034  11.313  10.439
   85   1HH2  ARG   9          1HH2      ARG   9  -4.394   8.845   9.692
   86   2HH2  ARG   9          2HH2      ARG   9  -3.029   9.267  10.672
   87    H    GLY  10           H        GLY  10  -0.553  10.948   3.259
   88   1HA   GLY  10          2HA       GLY  10   1.215  12.997   3.485
   89   2HA   GLY  10          1HA       GLY  10   1.362  12.178   5.032
   90    H    ILE  11           H        ILE  11   0.767   9.553   3.720
   91    HA   ILE  11           HA       ILE  11   2.794   9.042   1.797
   92    HB   ILE  11           HB       ILE  11   4.246   9.412   3.739
   93   1HG1  ILE  11          2HG1      ILE  11   4.569   7.546   1.912
   94   2HG1  ILE  11          1HG1      ILE  11   5.663   7.647   3.284
   95   1HG2  ILE  11          1HG2      ILE  11   2.834   7.067   4.997
   96   2HG2  ILE  11          2HG2      ILE  11   2.618   8.754   5.462
   97   3HG2  ILE  11          3HG2      ILE  11   4.185   7.974   5.675
   98   1HD1  ILE  11          1HD1      ILE  11   4.470   5.386   2.461
   99   2HD1  ILE  11          2HD1      ILE  11   3.308   5.932   3.669
  100   3HD1  ILE  11          3HD1      ILE  11   4.993   5.675   4.120
  101    H    CYS  12           H        CYS  12   2.872   6.801   1.166
  102    HA   CYS  12           HA       CYS  12   0.423   5.384   1.907
  103   1HB   CYS  12          2HB       CYS  12   1.457   5.935  -0.558
  104   2HB   CYS  12          1HB       CYS  12   2.047   4.299  -0.294
  105    H    TYR  13           H        TYR  13   0.727   4.086   3.596
  106    HA   TYR  13           HA       TYR  13   3.212   2.808   4.170
  107   1HB   TYR  13          2HB       TYR  13   0.477   2.797   5.361
  108   2HB   TYR  13          1HB       TYR  13   1.571   1.490   5.791
  109    HD1  TYR  13           1HD      TYR  13   3.251   4.578   5.082
  110    HD2  TYR  13           2HD      TYR  13   1.213   2.421   8.128
  111    HE1  TYR  13           1HE      TYR  13   4.285   6.017   6.783
  112    HE2  TYR  13           2HE      TYR  13   2.242   3.853   9.837
  113    HH   TYR  13           HH       TYR  13   3.445   6.668   9.401
  114    H    ARG  14           H        ARG  14   3.578   0.519   4.302
  115    HA   ARG  14           HA       ARG  14   2.520  -0.872   1.993
  116   1HB   ARG  14          2HB       ARG  14   4.513  -1.936   3.989
  117   2HB   ARG  14          1HB       ARG  14   4.280  -2.440   2.322
  118   1HG   ARG  14          2HG       ARG  14   5.420  -0.649   1.470
  119   2HG   ARG  14          1HG       ARG  14   5.067   0.378   2.860
  120   1HD   ARG  14          2HD       ARG  14   7.466  -0.446   2.581
  121   2HD   ARG  14          1HD       ARG  14   6.727  -0.626   4.168
  122    HE   ARG  14           HE       ARG  14   7.343  -2.763   2.270
  123   1HH1  ARG  14          1HH1      ARG  14   6.036  -1.812   5.371
  124   2HH1  ARG  14          2HH1      ARG  14   6.104  -3.413   6.025
  125   1HH2  ARG  14          1HH2      ARG  14   7.424  -4.863   3.134
  126   2HH2  ARG  14          2HH2      ARG  14   6.889  -5.143   4.758
  127    H    ARG  15           H        ARG  15   2.826  -3.537   3.009
  128    HA   ARG  15           HA       ARG  15   1.771  -5.174   4.184
  129   1HB   ARG  15          2HB       ARG  15   0.301  -3.056   5.742
  130   2HB   ARG  15          1HB       ARG  15   0.536  -4.740   6.182
  131   1HG   ARG  15          2HG       ARG  15   2.638  -2.590   6.051
  132   2HG   ARG  15          1HG       ARG  15   1.993  -3.368   7.498
  133   1HD   ARG  15          2HD       ARG  15   3.738  -4.558   5.358
  134   2HD   ARG  15          1HD       ARG  15   4.079  -4.395   7.079
  135    HE   ARG  15           HE       ARG  15   2.571  -6.481   5.795
  136   1HH1  ARG  15          1HH1      ARG  15   3.128  -4.778   8.791
  137   2HH1  ARG  15          2HH1      ARG  15   2.565  -6.083   9.782
  138   1HH2  ARG  15          1HH2      ARG  15   1.829  -8.196   7.097
  139   2HH2  ARG  15          2HH2      ARG  15   1.827  -8.023   8.819
  140    H    CYS  16           H        CYS  16  -0.888  -2.899   4.457
  141    HA   CYS  16           HA       CYS  16  -2.228  -3.366   2.095
  142   1HB   CYS  16          2HB       CYS  16  -2.241  -5.687   3.780
  143   2HB   CYS  16          1HB       CYS  16  -3.881  -5.063   3.658
  144    H    ARG  17           H        ARG  17  -4.874  -3.558   2.847
  145    HA   ARG  17           HA       ARG  17  -6.617  -2.357   3.674
  146   1HB   ARG  17          2HB       ARG  17  -4.819  -1.438   5.908
  147   2HB   ARG  17          1HB       ARG  17  -6.566  -1.626   5.929
  148   1HG   ARG  17          2HG       ARG  17  -4.557  -3.862   5.750
  149   2HG   ARG  17          1HG       ARG  17  -5.461  -3.389   7.191
  150   1HD   ARG  17          2HD       ARG  17  -7.042  -3.971   4.760
  151   2HD   ARG  17          1HD       ARG  17  -6.248  -5.343   5.531
  152    HE   ARG  17           HE       ARG  17  -8.560  -4.012   6.449
  153   1HH1  ARG  17          1HH1      ARG  17  -5.608  -5.454   7.623
  154   2HH1  ARG  17          2HH1      ARG  17  -6.273  -5.853   9.173
  155   1HH2  ARG  17          1HH2      ARG  17  -9.435  -4.534   8.486
  156   2HH2  ARG  17          2HH2      ARG  17  -8.445  -5.330   9.662
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1  -9.975  -3.263   5.274
    2   2H    LYS   1          2HT       LYS   1 -10.031  -2.321   3.842
    3   3H    LYS   1          3HT       LYS   1  -8.655  -3.282   4.184
    4    HA   LYS   1           HA       LYS   1 -10.356  -5.186   4.225
    5   1HB   LYS   1          2HB       LYS   1 -11.664  -3.254   2.312
    6   2HB   LYS   1          1HB       LYS   1 -12.252  -4.833   2.814
    7   1HG   LYS   1          2HG       LYS   1 -13.380  -3.919   4.482
    8   2HG   LYS   1          1HG       LYS   1 -11.903  -3.202   5.128
    9   1HD   LYS   1          2HD       LYS   1 -13.521  -1.460   4.696
   10   2HD   LYS   1          1HD       LYS   1 -12.180  -1.310   3.558
   11   1HE   LYS   1          2HE       LYS   1 -14.251  -3.024   2.505
   12   2HE   LYS   1          1HE       LYS   1 -14.903  -1.450   2.957
   13   1HZ   LYS   1          1HZ       LYS   1 -13.415  -0.360   1.522
   14   2HZ   LYS   1          2HZ       LYS   1 -14.024  -1.661   0.626
   15   3HZ   LYS   1          3HZ       LYS   1 -12.472  -1.746   1.293
   16    H    TRP   2           H        TRP   2  -7.774  -4.595   3.336
   17    HA   TRP   2           HA       TRP   2  -7.558  -6.182   1.058
   18   1HB   TRP   2          2HB       TRP   2  -7.138  -4.733  -0.732
   19   2HB   TRP   2          1HB       TRP   2  -8.524  -3.999   0.062
   20    HD1  TRP   2           HD       TRP   2  -5.198  -3.146  -1.246
   21    HE1  TRP   2           1HE      TRP   2  -4.469  -0.808  -0.444
   22    HE3  TRP   2           3HE      TRP   2  -8.682  -2.424   2.413
   23    HZ2  TRP   2           2HZ      TRP   2  -5.271   1.086   1.491
   24    HZ3  TRP   2           3HZ      TRP   2  -8.636  -0.331   3.700
   25    HH2  TRP   2           HH       TRP   2  -6.964   1.392   3.245
   26    H    CYS   3           H        CYS   3  -5.565  -7.012   1.035
   27    HA   CYS   3           HA       CYS   3  -3.520  -5.686   2.661
   28   1HB   CYS   3          2HB       CYS   3  -3.951  -8.533   1.802
   29   2HB   CYS   3          1HB       CYS   3  -2.379  -7.997   2.384
   30    H    PHE   4           H        PHE   4  -3.017  -4.146   0.987
   31    HA   PHE   4           HA       PHE   4  -1.077  -5.218  -0.907
   32   1HB   PHE   4          2HB       PHE   4  -3.546  -4.645  -1.834
   33   2HB   PHE   4          1HB       PHE   4  -2.783  -3.068  -1.996
   34    HD1  PHE   4           1HD      PHE   4  -3.732  -5.489  -3.974
   35    HD2  PHE   4           2HD      PHE   4  -0.048  -3.754  -2.732
   36    HE1  PHE   4           1HE      PHE   4  -2.684  -6.219  -6.078
   37    HE2  PHE   4           2HE      PHE   4   1.006  -4.481  -4.833
   38    HZ   PHE   4           HZ       PHE   4  -0.311  -5.714  -6.510
   39    H    ARG   5           H        ARG   5  -2.596  -2.102  -0.289
   40    HA   ARG   5           HA       ARG   5  -0.442  -0.955   1.096
   41   1HB   ARG   5          2HB       ARG   5   0.280  -1.266  -1.475
   42   2HB   ARG   5          1HB       ARG   5  -0.534   0.286  -1.597
   43   1HG   ARG   5          2HG       ARG   5   1.614  -0.253   0.428
   44   2HG   ARG   5          1HG       ARG   5   1.958   0.342  -1.198
   45   1HD   ARG   5          2HD       ARG   5  -0.136   1.810   0.242
   46   2HD   ARG   5          1HD       ARG   5   1.469   1.919   0.958
   47    HE   ARG   5           HE       ARG   5   2.227   3.044  -0.938
   48   1HH1  ARG   5          1HH1      ARG   5  -1.125   2.111  -1.291
   49   2HH1  ARG   5          2HH1      ARG   5  -1.394   3.145  -2.651
   50   1HH2  ARG   5          1HH2      ARG   5   1.866   4.399  -2.727
   51   2HH2  ARG   5          2HH2      ARG   5   0.300   4.442  -3.467
   52    H    VAL   6           H        VAL   6  -1.182   0.805   2.128
   53    HA   VAL   6           HA       VAL   6  -3.613   2.090   1.064
   54    HB   VAL   6           HB       VAL   6  -4.040   0.801   3.122
   55   1HG1  VAL   6          1HG1      VAL   6  -1.624   1.405   3.972
   56   2HG1  VAL   6          2HG1      VAL   6  -2.937   1.093   5.107
   57   3HG1  VAL   6          3HG1      VAL   6  -2.471   2.752   4.732
   58   1HG2  VAL   6          1HG2      VAL   6  -5.393   2.400   4.129
   59   2HG2  VAL   6          2HG2      VAL   6  -5.162   3.042   2.501
   60   3HG2  VAL   6          3HG2      VAL   6  -4.233   3.700   3.850
   61    H    CYS   7           H        CYS   7  -3.921   4.348   1.636
   62    HA   CYS   7           HA       CYS   7  -1.366   5.772   1.998
   63   1HB   CYS   7          2HB       CYS   7  -3.698   6.348   0.188
   64   2HB   CYS   7          1HB       CYS   7  -2.593   7.629   0.675
   65    H    TYR   8           H        TYR   8  -1.256   7.202   3.624
   66    HA   TYR   8           HA       TYR   8  -3.761   8.179   4.807
   67   1HB   TYR   8          2HB       TYR   8  -1.495   6.787   6.204
   68   2HB   TYR   8          1HB       TYR   8  -2.506   7.939   7.068
   69    HD1  TYR   8           1HD      TYR   8  -2.053   4.701   7.069
   70    HD2  TYR   8           2HD      TYR   8  -5.167   7.378   5.957
   71    HE1  TYR   8           1HE      TYR   8  -3.711   2.931   7.472
   72    HE2  TYR   8           2HE      TYR   8  -6.833   5.616   6.359
   73    HH   TYR   8           HH       TYR   8  -6.479   3.111   8.106
   74    H    ARG   9           H        ARG   9  -3.788  10.303   5.033
   75    HA   ARG   9           HA       ARG   9  -3.141  12.476   5.136
   76   1HB   ARG   9          2HB       ARG   9  -1.260  11.024   6.823
   77   2HB   ARG   9          1HB       ARG   9  -0.563  12.499   6.167
   78   1HG   ARG   9          2HG       ARG   9  -1.483  13.268   8.114
   79   2HG   ARG   9          1HG       ARG   9  -2.797  13.575   6.977
   80   1HD   ARG   9          2HD       ARG   9  -4.150  12.074   7.953
   81   2HD   ARG   9          1HD       ARG   9  -2.850  10.905   8.177
   82    HE   ARG   9           HE       ARG   9  -3.795  12.842  10.081
   83   1HH1  ARG   9          1HH1      ARG   9  -1.097  10.845   9.123
   84   2HH1  ARG   9          2HH1      ARG   9  -0.394  10.820  10.705
   85   1HH2  ARG   9          1HH2      ARG   9  -2.869  12.809  12.162
   86   2HH2  ARG   9          2HH2      ARG   9  -1.399  11.935  12.431
   87    H    GLY  10           H        GLY  10   0.162  11.267   4.746
   88   1HA   GLY  10          2HA       GLY  10   0.154  12.317   1.990
   89   2HA   GLY  10          1HA       GLY  10   1.412  12.784   3.122
   90    H    ILE  11           H        ILE  11   1.546  10.100   4.327
   91    HA   ILE  11           HA       ILE  11   3.187   8.866   2.243
   92    HB   ILE  11           HB       ILE  11   4.251   9.306   4.415
   93   1HG1  ILE  11          2HG1      ILE  11   5.193   7.049   4.768
   94   2HG1  ILE  11          1HG1      ILE  11   3.888   6.363   3.806
   95   1HG2  ILE  11          1HG2      ILE  11   2.424   9.117   5.926
   96   2HG2  ILE  11          2HG2      ILE  11   3.591   7.867   6.358
   97   3HG2  ILE  11          3HG2      ILE  11   2.133   7.441   5.460
   98   1HD1  ILE  11          1HD1      ILE  11   6.386   7.328   2.937
   99   2HD1  ILE  11          2HD1      ILE  11   5.153   8.414   2.296
  100   3HD1  ILE  11          3HD1      ILE  11   5.063   6.684   1.966
  101    H    CYS  12           H        CYS  12   3.076   6.617   1.801
  102    HA   CYS  12           HA       CYS  12   0.519   5.357   2.553
  103   1HB   CYS  12          2HB       CYS  12   1.920   5.027  -0.105
  104   2HB   CYS  12          1HB       CYS  12   0.336   4.406   0.346
  105    H    TYR  13           H        TYR  13   0.768   3.529   3.639
  106    HA   TYR  13           HA       TYR  13   3.294   2.046   3.340
  107   1HB   TYR  13          2HB       TYR  13   1.649   2.759   5.669
  108   2HB   TYR  13          1HB       TYR  13   2.165   1.076   5.643
  109    HD1  TYR  13           1HD      TYR  13   3.772   4.342   4.764
  110    HD2  TYR  13           2HD      TYR  13   4.010   0.712   6.970
  111    HE1  TYR  13           1HE      TYR  13   5.974   5.016   5.624
  112    HE2  TYR  13           2HE      TYR  13   6.212   1.376   7.836
  113    HH   TYR  13           HH       TYR  13   7.345   4.240   7.983
  114    H    ARG  14           H        ARG  14   3.004  -0.359   3.938
  115    HA   ARG  14           HA       ARG  14   1.334  -1.541   2.012
  116   1HB   ARG  14          2HB       ARG  14   2.752  -2.740   4.394
  117   2HB   ARG  14          1HB       ARG  14   1.937  -3.691   3.160
  118   1HG   ARG  14          2HG       ARG  14   4.097  -3.759   2.413
  119   2HG   ARG  14          1HG       ARG  14   3.482  -2.362   1.527
  120   1HD   ARG  14          2HD       ARG  14   4.545  -1.692   4.162
  121   2HD   ARG  14          1HD       ARG  14   5.743  -2.410   3.085
  122    HE   ARG  14           HE       ARG  14   4.569  -0.534   1.535
  123   1HH1  ARG  14          1HH1      ARG  14   6.010  -0.438   4.711
  124   2HH1  ARG  14          2HH1      ARG  14   6.525   1.207   4.565
  125   1HH2  ARG  14          1HH2      ARG  14   5.246   1.632   1.341
  126   2HH2  ARG  14          2HH2      ARG  14   6.090   2.384   2.651
  127    H    ARG  15           H        ARG  15   1.142  -2.059   5.534
  128    HA   ARG  15           HA       ARG  15  -0.617  -2.445   6.922
  129   1HB   ARG  15          2HB       ARG  15  -1.546  -0.412   5.036
  130   2HB   ARG  15          1HB       ARG  15  -2.859  -1.353   5.729
  131   1HG   ARG  15          2HG       ARG  15  -2.352   0.705   6.990
  132   2HG   ARG  15          1HG       ARG  15  -2.184  -0.763   7.955
  133   1HD   ARG  15          2HD       ARG  15   0.116  -0.610   8.032
  134   2HD   ARG  15          1HD       ARG  15   0.205   0.351   6.558
  135    HE   ARG  15           HE       ARG  15  -0.157   1.316   9.244
  136   1HH1  ARG  15          1HH1      ARG  15  -0.606   2.023   5.856
  137   2HH1  ARG  15          2HH1      ARG  15  -0.633   3.738   6.088
  138   1HH2  ARG  15          1HH2      ARG  15  -0.196   3.574   9.552
  139   2HH2  ARG  15          2HH2      ARG  15  -0.400   4.619   8.187
  140    H    CYS  16           H        CYS  16  -3.200  -3.095   6.666
  141    HA   CYS  16           HA       CYS  16  -3.600  -5.000   4.532
  142   1HB   CYS  16          2HB       CYS  16  -2.527  -5.828   7.086
  143   2HB   CYS  16          1HB       CYS  16  -4.095  -6.576   6.808
  144    H    ARG  17           H        ARG  17  -5.636  -6.500   5.645
  145    HA   ARG  17           HA       ARG  17  -7.899  -5.040   5.273
  146   1HB   ARG  17          2HB       ARG  17  -7.267  -7.557   6.673
  147   2HB   ARG  17          1HB       ARG  17  -8.783  -6.809   7.152
  148   1HG   ARG  17          2HG       ARG  17  -9.160  -8.415   5.392
  149   2HG   ARG  17          1HG       ARG  17  -9.502  -6.787   4.810
  150   1HD   ARG  17          2HD       ARG  17  -7.150  -6.766   3.879
  151   2HD   ARG  17          1HD       ARG  17  -7.090  -8.490   4.240
  152    HE   ARG  17           HE       ARG  17  -9.349  -7.662   2.642
  153   1HH1  ARG  17          1HH1      ARG  17  -6.054  -8.820   2.617
  154   2HH1  ARG  17          2HH1      ARG  17  -6.159  -9.454   1.011
  155   1HH2  ARG  17          1HH2      ARG  17  -9.485  -8.494   0.529
  156   2HH2  ARG  17          2HH2      ARG  17  -8.105  -9.268  -0.176
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1   3.855   5.496  13.431
    2   2H    LYS   1          2HT       LYS   1   2.613   4.483  14.044
    3   3H    LYS   1          3HT       LYS   1   2.403   6.185  14.027
    4    HA   LYS   1           HA       LYS   1   1.229   4.889  12.278
    5   1HB   LYS   1          2HB       LYS   1   2.255   7.412  12.393
    6   2HB   LYS   1          1HB       LYS   1   2.991   6.821  10.909
    7   1HG   LYS   1          2HG       LYS   1   0.454   6.041  10.500
    8   2HG   LYS   1          1HG       LYS   1   0.179   7.461  11.511
    9   1HD   LYS   1          2HD       LYS   1   0.165   8.240   9.281
   10   2HD   LYS   1          1HD       LYS   1   1.732   8.707   9.945
   11   1HE   LYS   1          2HE       LYS   1   1.770   7.732   7.620
   12   2HE   LYS   1          1HE       LYS   1   2.845   6.968   8.790
   13   1HZ   LYS   1          1HZ       LYS   1   1.211   5.602   7.220
   14   2HZ   LYS   1          2HZ       LYS   1   0.179   5.825   8.541
   15   3HZ   LYS   1          3HZ       LYS   1   1.672   5.058   8.754
   16    H    TRP   2           H        TRP   2   1.885   2.811  11.761
   17    HA   TRP   2           HA       TRP   2   3.629   2.597   9.478
   18   1HB   TRP   2          2HB       TRP   2   4.744   2.180  12.036
   19   2HB   TRP   2          1HB       TRP   2   4.537   0.582  11.327
   20    HD1  TRP   2           HD       TRP   2   6.433   3.869  10.792
   21    HE1  TRP   2           1HE      TRP   2   8.389   3.432   9.177
   22    HE3  TRP   2           3HE      TRP   2   5.325  -0.941   9.454
   23    HZ2  TRP   2           2HZ      TRP   2   9.338   1.328   7.551
   24    HZ3  TRP   2           3HZ      TRP   2   6.808  -2.093   7.865
   25    HH2  TRP   2           HH       TRP   2   8.771  -0.981   6.932
   26    H    CYS   3           H        CYS   3   0.837   2.107  10.135
   27    HA   CYS   3           HA       CYS   3   0.659  -0.592   9.082
   28   1HB   CYS   3          2HB       CYS   3   0.504  -0.431  11.750
   29   2HB   CYS   3          1HB       CYS   3  -1.171  -0.052  11.364
   30    H    PHE   4           H        PHE   4  -0.013   0.736   7.254
   31    HA   PHE   4           HA       PHE   4  -2.881   1.036   7.207
   32   1HB   PHE   4          2HB       PHE   4  -1.144   3.446   6.636
   33   2HB   PHE   4          1HB       PHE   4  -2.895   3.365   6.484
   34    HD1  PHE   4           1HD      PHE   4  -0.080   3.571   8.802
   35    HD2  PHE   4           2HD      PHE   4  -4.316   3.396   8.437
   36    HE1  PHE   4           1HE      PHE   4  -0.307   4.287  11.146
   37    HE2  PHE   4           2HE      PHE   4  -4.551   4.113  10.780
   38    HZ   PHE   4           HZ       PHE   4  -2.545   4.560  12.137
   39    H    ARG   5           H        ARG   5  -3.320  -0.126   5.451
   40    HA   ARG   5           HA       ARG   5  -1.605  -0.656   3.323
   41   1HB   ARG   5          2HB       ARG   5  -3.791  -1.828   3.976
   42   2HB   ARG   5          1HB       ARG   5  -4.605  -0.575   3.051
   43   1HG   ARG   5          2HG       ARG   5  -2.873  -1.345   1.197
   44   2HG   ARG   5          1HG       ARG   5  -2.942  -2.843   2.125
   45   1HD   ARG   5          2HD       ARG   5  -4.981  -3.337   1.361
   46   2HD   ARG   5          1HD       ARG   5  -5.574  -1.704   1.664
   47    HE   ARG   5           HE       ARG   5  -3.932  -1.645  -0.601
   48   1HH1  ARG   5          1HH1      ARG   5  -7.013  -2.939   0.407
   49   2HH1  ARG   5          2HH1      ARG   5  -7.695  -2.890  -1.184
   50   1HH2  ARG   5          1HH2      ARG   5  -4.829  -1.578  -2.695
   51   2HH2  ARG   5          2HH2      ARG   5  -6.455  -2.117  -2.945
   52    H    VAL   6           H        VAL   6  -1.570   0.105   1.151
   53    HA   VAL   6           HA       VAL   6  -1.273   1.804  -0.341
   54    HB   VAL   6           HB       VAL   6  -3.866   1.170  -0.293
   55   1HG1  VAL   6          1HG1      VAL   6  -4.262   4.095  -0.129
   56   2HG1  VAL   6          2HG1      VAL   6  -4.067   3.238   1.397
   57   3HG1  VAL   6          3HG1      VAL   6  -5.353   2.774   0.285
   58   1HG2  VAL   6          1HG2      VAL   6  -2.171   2.318  -2.070
   59   2HG2  VAL   6          2HG2      VAL   6  -3.411   3.563  -1.925
   60   3HG2  VAL   6          3HG2      VAL   6  -3.858   1.925  -2.402
   61    H    CYS   7           H        CYS   7  -2.270   4.391  -0.538
   62    HA   CYS   7           HA       CYS   7  -0.614   5.736   1.369
   63   1HB   CYS   7          2HB       CYS   7  -2.517   6.907  -0.671
   64   2HB   CYS   7          1HB       CYS   7  -1.250   7.778   0.185
   65    H    TYR   8           H        TYR   8  -1.634   7.880   2.323
   66    HA   TYR   8           HA       TYR   8  -4.257   8.126   3.078
   67   1HB   TYR   8          2HB       TYR   8  -3.025   5.890   4.402
   68   2HB   TYR   8          1HB       TYR   8  -3.442   7.116   5.592
   69    HD1  TYR   8           1HD      TYR   8  -5.367   6.590   2.486
   70    HD2  TYR   8           2HD      TYR   8  -5.154   5.843   6.668
   71    HE1  TYR   8           1HE      TYR   8  -7.694   5.807   2.455
   72    HE2  TYR   8           2HE      TYR   8  -7.487   5.061   6.651
   73    HH   TYR   8           HH       TYR   8  -9.588   5.597   4.090
   74    H    ARG   9           H        ARG   9  -4.043  10.229   3.277
   75    HA   ARG   9           HA       ARG   9  -2.619  12.161   3.673
   76   1HB   ARG   9          2HB       ARG   9  -3.756  12.507   6.213
   77   2HB   ARG   9          1HB       ARG   9  -4.378  13.075   4.674
   78   1HG   ARG   9          2HG       ARG   9  -6.114  11.894   5.806
   79   2HG   ARG   9          1HG       ARG   9  -5.592  10.923   4.430
   80   1HD   ARG   9          2HD       ARG   9  -5.954   9.880   6.844
   81   2HD   ARG   9          1HD       ARG   9  -4.716   9.286   5.741
   82    HE   ARG   9           HE       ARG   9  -3.091  10.149   7.128
   83   1HH1  ARG   9          1HH1      ARG   9  -6.228  11.292   8.151
   84   2HH1  ARG   9          2HH1      ARG   9  -5.644  11.921   9.653
   85   1HH2  ARG   9          1HH2      ARG   9  -2.326  10.977   9.104
   86   2HH2  ARG   9          2HH2      ARG   9  -3.430  11.745  10.195
   87    H    GLY  10           H        GLY  10  -0.492  10.897   3.937
   88   1HA   GLY  10          2HA       GLY  10   0.964  11.930   6.016
   89   2HA   GLY  10          1HA       GLY  10   0.423  10.351   6.572
   90    H    ILE  11           H        ILE  11   0.561   8.796   4.372
   91    HA   ILE  11           HA       ILE  11   3.131   9.141   3.080
   92    HB   ILE  11           HB       ILE  11   4.239   7.260   3.955
   93   1HG1  ILE  11          2HG1      ILE  11   1.628   6.542   5.315
   94   2HG1  ILE  11          1HG1      ILE  11   2.408   5.662   4.004
   95   1HG2  ILE  11          1HG2      ILE  11   4.328   9.176   5.426
   96   2HG2  ILE  11          2HG2      ILE  11   4.312   7.693   6.379
   97   3HG2  ILE  11          3HG2      ILE  11   2.843   8.662   6.228
   98   1HD1  ILE  11          1HD1      ILE  11   2.900   4.414   5.896
   99   2HD1  ILE  11          2HD1      ILE  11   3.203   5.845   6.881
  100   3HD1  ILE  11          3HD1      ILE  11   4.360   5.367   5.639
  101    H    CYS  12           H        CYS  12   3.618   6.692   2.111
  102    HA   CYS  12           HA       CYS  12   1.152   5.678   0.912
  103   1HB   CYS  12          2HB       CYS  12   3.457   6.914  -0.547
  104   2HB   CYS  12          1HB       CYS  12   2.564   5.599  -1.301
  105    H    TYR  13           H        TYR  13   1.312   3.720   1.936
  106    HA   TYR  13           HA       TYR  13   3.513   2.008   1.042
  107   1HB   TYR  13          2HB       TYR  13   2.808   2.646   3.879
  108   2HB   TYR  13          1HB       TYR  13   3.425   1.045   3.483
  109    HD1  TYR  13           1HD      TYR  13   4.233   4.590   3.781
  110    HD2  TYR  13           2HD      TYR  13   5.707   0.764   2.646
  111    HE1  TYR  13           1HE      TYR  13   6.528   5.466   3.833
  112    HE2  TYR  13           2HE      TYR  13   8.006   1.628   2.695
  113    HH   TYR  13           HH       TYR  13   8.998   4.138   4.206
  114    H    ARG  14           H        ARG  14   3.030  -0.337   1.948
  115    HA   ARG  14           HA       ARG  14   0.154  -0.892   1.767
  116   1HB   ARG  14          2HB       ARG  14   2.191  -2.524   0.259
  117   2HB   ARG  14          1HB       ARG  14   0.440  -2.586   0.123
  118   1HG   ARG  14          2HG       ARG  14   1.855  -0.052  -0.543
  119   2HG   ARG  14          1HG       ARG  14   1.882  -1.389  -1.694
  120   1HD   ARG  14          2HD       ARG  14  -0.608  -1.464  -1.546
  121   2HD   ARG  14          1HD       ARG  14  -0.543  -0.002  -0.562
  122    HE   ARG  14           HE       ARG  14  -0.295  -0.173  -3.396
  123   1HH1  ARG  14          1HH1      ARG  14   0.758   1.637  -0.605
  124   2HH1  ARG  14          2HH1      ARG  14   1.055   3.087  -1.502
  125   1HH2  ARG  14          1HH2      ARG  14   0.094   1.734  -4.578
  126   2HH2  ARG  14          2HH2      ARG  14   0.677   3.145  -3.757
  127    H    ARG  15           H        ARG  15  -0.331  -3.204   2.352
  128    HA   ARG  15           HA       ARG  15  -0.306  -4.877   3.892
  129   1HB   ARG  15          2HB       ARG  15   2.699  -4.619   3.854
  130   2HB   ARG  15          1HB       ARG  15   1.751  -6.041   4.258
  131   1HG   ARG  15          2HG       ARG  15   1.493  -6.638   2.117
  132   2HG   ARG  15          1HG       ARG  15   1.256  -4.975   1.575
  133   1HD   ARG  15          2HD       ARG  15   3.889  -6.297   2.218
  134   2HD   ARG  15          1HD       ARG  15   3.282  -5.898   0.614
  135    HE   ARG  15           HE       ARG  15   3.637  -3.609   1.075
  136   1HH1  ARG  15          1HH1      ARG  15   4.740  -5.683   3.665
  137   2HH1  ARG  15          2HH1      ARG  15   5.765  -4.473   4.357
  138   1HH2  ARG  15          1HH2      ARG  15   4.983  -2.025   1.994
  139   2HH2  ARG  15          2HH2      ARG  15   5.901  -2.400   3.414
  140    H    CYS  16           H        CYS  16   0.390  -5.470   6.151
  141    HA   CYS  16           HA       CYS  16   1.042  -3.071   7.728
  142   1HB   CYS  16          2HB       CYS  16  -1.409  -4.555   7.720
  143   2HB   CYS  16          1HB       CYS  16  -0.629  -4.763   9.284
  144    H    ARG  17           H        ARG  17   1.371  -3.903  10.161
  145    HA   ARG  17           HA       ARG  17   3.769  -5.332  10.179
  146   1HB   ARG  17          2HB       ARG  17   1.805  -4.764  12.402
  147   2HB   ARG  17          1HB       ARG  17   3.388  -5.481  12.663
  148   1HG   ARG  17          2HG       ARG  17   4.505  -3.525  11.993
  149   2HG   ARG  17          1HG       ARG  17   3.039  -2.837  11.288
  150   1HD   ARG  17          2HD       ARG  17   2.049  -2.746  13.558
  151   2HD   ARG  17          1HD       ARG  17   3.582  -3.315  14.216
  152    HE   ARG  17           HE       ARG  17   3.835  -0.955  12.600
  153   1HH1  ARG  17          1HH1      ARG  17   3.150  -2.165  15.802
  154   2HH1  ARG  17          2HH1      ARG  17   3.614  -0.696  16.593
  155   1HH2  ARG  17          1HH2      ARG  17   4.446   0.977  13.638
  156   2HH2  ARG  17          2HH2      ARG  17   4.349   1.089  15.364
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1  -7.959  -0.814   2.170
    2   2H    LYS   1          2HT       LYS   1  -9.015   0.537   2.239
    3   3H    LYS   1          3HT       LYS   1  -8.423  -0.015   0.726
    4    HA   LYS   1           HA       LYS   1 -10.745  -0.614   1.308
    5   1HB   LYS   1          2HB       LYS   1  -8.928  -1.748  -0.273
    6   2HB   LYS   1          1HB       LYS   1  -9.143  -3.078   0.857
    7   1HG   LYS   1          2HG       LYS   1 -11.523  -1.789  -0.409
    8   2HG   LYS   1          1HG       LYS   1 -10.572  -2.983  -1.296
    9   1HD   LYS   1          2HD       LYS   1 -11.390  -3.663   1.473
   10   2HD   LYS   1          1HD       LYS   1 -12.644  -3.659   0.233
   11   1HE   LYS   1          2HE       LYS   1 -11.827  -5.863   0.278
   12   2HE   LYS   1          1HE       LYS   1 -11.078  -5.120  -1.137
   13   1HZ   LYS   1          1HZ       LYS   1  -9.035  -5.199  -0.208
   14   2HZ   LYS   1          2HZ       LYS   1  -9.709  -6.486   0.659
   15   3HZ   LYS   1          3HZ       LYS   1  -9.599  -4.954   1.368
   16    H    TRP   2           H        TRP   2  -8.425  -2.882   2.683
   17    HA   TRP   2           HA       TRP   2 -10.066  -3.081   5.094
   18   1HB   TRP   2          2HB       TRP   2 -10.833  -4.942   3.809
   19   2HB   TRP   2          1HB       TRP   2  -9.190  -5.393   3.369
   20    HD1  TRP   2           HD       TRP   2  -8.854  -7.689   4.471
   21    HE1  TRP   2           1HE      TRP   2  -9.109  -8.637   6.849
   22    HE3  TRP   2           3HE      TRP   2 -10.996  -3.635   6.738
   23    HZ2  TRP   2           2HZ      TRP   2 -10.087  -7.782   9.352
   24    HZ3  TRP   2           3HZ      TRP   2 -11.560  -3.784   9.127
   25    HH2  TRP   2           HH       TRP   2 -11.115  -5.816  10.407
   26    H    CYS   3           H        CYS   3  -7.431  -5.206   4.225
   27    HA   CYS   3           HA       CYS   3  -5.805  -3.935   6.319
   28   1HB   CYS   3          2HB       CYS   3  -6.496  -6.168   6.978
   29   2HB   CYS   3          1HB       CYS   3  -5.884  -6.834   5.467
   30    H    PHE   4           H        PHE   4  -5.963  -4.763   3.013
   31    HA   PHE   4           HA       PHE   4  -3.268  -5.127   2.372
   32   1HB   PHE   4          2HB       PHE   4  -5.347  -3.752   0.658
   33   2HB   PHE   4          1HB       PHE   4  -3.883  -4.556   0.101
   34    HD1  PHE   4           1HD      PHE   4  -7.037  -4.969  -0.384
   35    HD2  PHE   4           2HD      PHE   4  -3.986  -7.025   1.756
   36    HE1  PHE   4           1HE      PHE   4  -8.291  -7.072  -0.622
   37    HE2  PHE   4           2HE      PHE   4  -5.236  -9.132   1.521
   38    HZ   PHE   4           HZ       PHE   4  -7.390  -9.157   0.330
   39    H    ARG   5           H        ARG   5  -2.055  -3.468   0.933
   40    HA   ARG   5           HA       ARG   5  -1.285  -1.326   2.547
   41   1HB   ARG   5          2HB       ARG   5  -0.212  -0.472   0.348
   42   2HB   ARG   5          1HB       ARG   5   0.346  -1.989   1.036
   43   1HG   ARG   5          2HG       ARG   5  -0.355  -3.186  -0.716
   44   2HG   ARG   5          1HG       ARG   5  -1.865  -2.282  -0.855
   45   1HD   ARG   5          2HD       ARG   5   0.651  -0.898  -1.611
   46   2HD   ARG   5          1HD       ARG   5   0.051  -2.149  -2.697
   47    HE   ARG   5           HE       ARG   5  -2.054  -0.407  -2.032
   48   1HH1  ARG   5          1HH1      ARG   5   0.901  -0.467  -3.885
   49   2HH1  ARG   5          2HH1      ARG   5   0.360   0.721  -5.024
   50   1HH2  ARG   5          1HH2      ARG   5  -2.767   1.157  -3.527
   51   2HH2  ARG   5          2HH2      ARG   5  -1.723   1.643  -4.819