*HEADER    UNKNOWN FUNCTION                        01-MAY-03   1UDK              
*TITLE     SOLUTION STRUCTURE OF NAWAPRIN                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NAWAPRIN;                                                  
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA NIGRICOLLIS;                               
*SOURCE   3 ORGANISM_COMMON: SPITTING COBRA;                                     
*SOURCE   4 SECRETION: VENOM                                                     
*KEYWDS    ANTIPARALLEL BETA-SHEET, SPIRAL BACKBONE CONFIGURATION                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.TORRES, H.Y.WONG, M.DESAI, S.MOOCHHALA, P.W.KUCHEL,               
*AUTHOR   2 R.M.KINI                                                             
*REVDAT   1   04-NOV-03 1UDK    0                                                

remark input file: wanoe.cfm
remark output file: wanoe.tbl
set echo=false end
set wrnlev=0 end
! range |i-j| =     0
assign (resid   2 and name HN    )(resid   2 and name HA    )  0.00  0.00  2.59
assign (resid   2 and name HN    )(resid   2 and name HB*   )  0.00  0.00  3.39
assign (resid   2 and name HN    )(resid   2 and name HG*   )  0.00  0.00  4.45
assign (resid   2 and name HA    )(resid   2 and name HG*   )  0.00  0.00  3.95
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.11
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  3.11
assign (resid   3 and name HN    )(resid   3 and name HB*   )  0.00  0.00  2.80
assign (resid   3 and name HN    )(resid   3 and name HG2   )  0.00  0.00  4.63
assign (resid   3 and name HN    )(resid   3 and name HG1   )  0.00  0.00  4.63
assign (resid   3 and name HN    )(resid   3 and name HG*   )  0.00  0.00  3.94
assign (resid   3 and name HN    )(resid   3 and name HD*   )  0.00  0.00  6.38
assign (resid   3 and name HA    )(resid   3 and name HD*   )  0.00  0.00  6.25
assign (resid   3 and name HA    )(resid   3 and name HE2   )  0.00  0.00  5.50
assign (resid   3 and name HA    )(resid   3 and name HE1   )  0.00  0.00  5.50
assign (resid   3 and name HA    )(resid   3 and name HE*   )  0.00  0.00  4.97
assign (resid   3 and name HA    )(resid   3 and name HZ*   )  0.00  0.00  6.31
assign (resid   3 and name HB2   )(resid   3 and name HE2   )  0.00  0.00  3.95
assign (resid   3 and name HB2   )(resid   3 and name HE1   )  0.00  0.00  3.95
assign (resid   3 and name HB2   )(resid   3 and name HZ*   )  0.00  0.00  6.31
assign (resid   3 and name HB1   )(resid   3 and name HE2   )  0.00  0.00  3.95
assign (resid   3 and name HB1   )(resid   3 and name HE1   )  0.00  0.00  3.95
assign (resid   3 and name HB1   )(resid   3 and name HZ*   )  0.00  0.00  6.31
assign (resid   3 and name HB*   )(resid   3 and name HD*   )  0.00  0.00  3.64
assign (resid   3 and name HB*   )(resid   3 and name HE*   )  0.00  0.00  2.97
assign (resid   3 and name HB*   )(resid   3 and name HZ*   )  0.00  0.00  5.79
assign (resid   3 and name HG1   )(resid   3 and name HE2   )  0.00  0.00  3.42
assign (resid   3 and name HG1   )(resid   3 and name HE1   )  0.00  0.00  3.42
assign (resid   3 and name HG*   )(resid   3 and name HE*   )  0.00  0.00  3.06
assign (resid   3 and name HG*   )(resid   3 and name HZ*   )  0.00  0.00  5.21
assign (resid   4 and name HN    )(resid   4 and name HB*   )  0.00  0.00  3.44
assign (resid   4 and name HA    )(resid   4 and name HB*   )  0.00  0.00  2.67
assign (resid   6 and name HN    )(resid   6 and name HB*   )  0.00  0.00  3.57
assign (resid   6 and name HA    )(resid   6 and name HB2   )  0.00  0.00  2.93
assign (resid   6 and name HA    )(resid   6 and name HB1   )  0.00  0.00  2.93
assign (resid   6 and name HA    )(resid   6 and name HB*   )  0.00  0.00  2.65
assign (resid   7 and name HN    )(resid   7 and name HB2   )  0.00  0.00  3.14
assign (resid   7 and name HN    )(resid   7 and name HB1   )  0.00  0.00  3.14
assign (resid   7 and name HN    )(resid   7 and name HB*   )  0.00  0.00  2.82
assign (resid   9 and name HN    )(resid   9 and name HB*   )  0.00  0.00  3.50
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.98
assign (resid  10 and name HN    )(resid  10 and name HB1   )  0.00  0.00  3.98
assign (resid  10 and name HN    )(resid  10 and name HB*   )  0.00  0.00  3.59
assign (resid  10 and name HN    )(resid  10 and name HG2   )  0.00  0.00  5.50
assign (resid  10 and name HN    )(resid  10 and name HG1   )  0.00  0.00  5.50
assign (resid  10 and name HN    )(resid  10 and name HG*   )  0.00  0.00  5.18
assign (resid  11 and name HN    )(resid  11 and name HA    )  0.00  0.00  2.59
assign (resid  11 and name HN    )(resid  11 and name HB*   )  0.00  0.00  3.28
assign (resid  12 and name HN    )(resid  12 and name HB2   )  0.00  0.00  3.92
assign (resid  12 and name HN    )(resid  12 and name HB1   )  0.00  0.00  3.92
assign (resid  12 and name HN    )(resid  12 and name HB*   )  0.00  0.00  3.69
assign (resid  12 and name HN    )(resid  12 and name HG2   )  0.00  0.00  5.50
assign (resid  12 and name HN    )(resid  12 and name HG1   )  0.00  0.00  5.50
assign (resid  12 and name HA    )(resid  12 and name HG*   )  0.00  0.00  3.82
assign (resid  12 and name HB*   )(resid  12 and name HG*   )  0.00  0.00  2.48
assign (resid  14 and name HN    )(resid  14 and name HB    )  0.00  0.00  3.14
assign (resid  14 and name HN    )(resid  14 and name HG12  )  0.00  0.00  4.63
assign (resid  14 and name HN    )(resid  14 and name HG11  )  0.00  0.00  4.63
assign (resid  14 and name HA    )(resid  14 and name HG12  )  0.00  0.00  4.04
assign (resid  14 and name HA    )(resid  14 and name HG11  )  0.00  0.00  4.04
assign (resid  17 and name HN    )(resid  17 and name HA    )  0.00  0.00  2.90
assign (resid  17 and name HN    )(resid  17 and name HB2   )  0.00  0.00  2.80
assign (resid  17 and name HN    )(resid  17 and name HB1   )  0.00  0.00  2.80
assign (resid  17 and name HN    )(resid  17 and name HD1*  )  0.00  0.00  6.34
assign (resid  17 and name HN    )(resid  17 and name HD2*  )  0.00  0.00  6.34
assign (resid  17 and name HN    )(resid  17 and name HD*   )  0.00  0.00  5.54
assign (resid  17 and name HA    )(resid  17 and name HD1*  )  0.00  0.00  5.07
assign (resid  17 and name HA    )(resid  17 and name HD2*  )  0.00  0.00  5.07
assign (resid  19 and name HN    )(resid  19 and name HB    )  0.00  0.00  3.17
assign (resid  19 and name HN    )(resid  19 and name HG12  )  0.00  0.00  4.29
assign (resid  19 and name HN    )(resid  19 and name HG11  )  0.00  0.00  4.29
assign (resid  19 and name HN    )(resid  19 and name HD*   )  0.00  0.00  6.00
assign (resid  19 and name HA    )(resid  19 and name HG1*  )  0.00  0.00  3.78
assign (resid  19 and name HA    )(resid  19 and name HD*   )  0.00  0.00  4.73
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.89
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.89
assign (resid  21 and name HA    )(resid  21 and name HD*   )  0.00  0.00  6.38
assign (resid  21 and name HA    )(resid  21 and name HE*   )  0.00  0.00  6.38
assign (resid  21 and name HB*   )(resid  21 and name HE*   )  0.00  0.00  7.25
assign (resid  22 and name HN    )(resid  22 and name HB    )  0.00  0.00  2.90
assign (resid  22 and name HN    )(resid  22 and name HG2*  )  0.00  0.00  4.23
assign (resid  22 and name HA    )(resid  22 and name HB    )  0.00  0.00  2.40
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  3.86
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.86
assign (resid  23 and name HN    )(resid  23 and name HB*   )  0.00  0.00  3.63
assign (resid  23 and name HN    )(resid  23 and name HG    )  0.00  0.00  4.94
assign (resid  23 and name HN    )(resid  23 and name HD1*  )  0.00  0.00  6.53
assign (resid  23 and name HN    )(resid  23 and name HD2*  )  0.00  0.00  6.53
assign (resid  23 and name HN    )(resid  23 and name HD*   )  0.00  0.00  5.83
assign (resid  23 and name HA    )(resid  23 and name HB2   )  0.00  0.00  2.74
assign (resid  23 and name HA    )(resid  23 and name HB1   )  0.00  0.00  2.74
assign (resid  23 and name HA    )(resid  23 and name HG    )  0.00  0.00  3.89
assign (resid  23 and name HA    )(resid  23 and name HD1*  )  0.00  0.00  5.50
assign (resid  23 and name HA    )(resid  23 and name HD2*  )  0.00  0.00  5.50
assign (resid  23 and name HB*   )(resid  23 and name HG    )  0.00  0.00  2.62
assign (resid  24 and name HN    )(resid  24 and name HB1   )  0.00  0.00  3.05
assign (resid  24 and name HA    )(resid  24 and name HB2   )  0.00  0.00  2.65
assign (resid  24 and name HA    )(resid  24 and name HB1   )  0.00  0.00  2.65
assign (resid  25 and name HN    )(resid  25 and name HB2   )  0.00  0.00  4.01
assign (resid  25 and name HN    )(resid  25 and name HB1   )  0.00  0.00  4.01
assign (resid  25 and name HN    )(resid  25 and name HB*   )  0.00  0.00  3.37
assign (resid  25 and name HA    )(resid  25 and name HB2   )  0.00  0.00  2.96
assign (resid  25 and name HA    )(resid  25 and name HB1   )  0.00  0.00  2.96
assign (resid  26 and name HN    )(resid  26 and name HA    )  0.00  0.00  2.68
assign (resid  26 and name HN    )(resid  26 and name HB2   )  0.00  0.00  3.80
assign (resid  26 and name HN    )(resid  26 and name HB1   )  0.00  0.00  3.80
assign (resid  26 and name HN    )(resid  26 and name HB*   )  0.00  0.00  3.49
assign (resid  26 and name HA    )(resid  26 and name HB2   )  0.00  0.00  3.05
assign (resid  26 and name HA    )(resid  26 and name HB1   )  0.00  0.00  3.05
assign (resid  27 and name HN    )(resid  27 and name HB2   )  0.00  0.00  2.96
assign (resid  27 and name HN    )(resid  27 and name HB1   )  0.00  0.00  2.96
assign (resid  27 and name HN    )(resid  27 and name HB*   )  0.00  0.00  2.68
assign (resid  27 and name HA    )(resid  27 and name HB2   )  0.00  0.00  2.90
assign (resid  27 and name HA    )(resid  27 and name HB1   )  0.00  0.00  2.90
assign (resid  27 and name HA    )(resid  27 and name HB*   )  0.00  0.00  2.70
assign (resid  28 and name HN    )(resid  28 and name HB*   )  0.00  0.00  3.40
assign (resid  28 and name HA    )(resid  28 and name HB*   )  0.00  0.00  2.60
assign (resid  29 and name HN    )(resid  29 and name HA1   )  0.00  0.00  2.83
assign (resid  29 and name HN    )(resid  29 and name HA2   )  0.00  0.00  2.83
assign (resid  29 and name HN    )(resid  29 and name HA*   )  0.00  0.00  2.55
assign (resid  30 and name HN    )(resid  30 and name HB2   )  0.00  0.00  2.80
assign (resid  30 and name HA    )(resid  30 and name HB2   )  0.00  0.00  2.90
assign (resid  30 and name HA    )(resid  30 and name HB1   )  0.00  0.00  2.90
assign (resid  32 and name HN    )(resid  32 and name HA    )  0.00  0.00  2.56
assign (resid  32 and name HN    )(resid  32 and name HB2   )  0.00  0.00  4.00
assign (resid  32 and name HN    )(resid  32 and name HB1   )  0.00  0.00  4.00
assign (resid  32 and name HN    )(resid  32 and name HD21  )  0.00  0.00  5.50
assign (resid  32 and name HN    )(resid  32 and name HD22  )  0.00  0.00  5.50
assign (resid  32 and name HN    )(resid  32 and name HD2*  )  0.00  0.00  5.13
assign (resid  32 and name HA    )(resid  32 and name HD21  )  0.00  0.00  5.50
assign (resid  32 and name HA    )(resid  32 and name HD22  )  0.00  0.00  5.50
assign (resid  32 and name HB*   )(resid  32 and name HD2*  )  0.00  0.00  3.26
assign (resid  33 and name HN    )(resid  33 and name HA    )  0.00  0.00  2.87
assign (resid  33 and name HN    )(resid  33 and name HB    )  0.00  0.00  3.70
assign (resid  33 and name HN    )(resid  33 and name HG1*  )  0.00  0.00  4.17
assign (resid  33 and name HN    )(resid  33 and name HG2*  )  0.00  0.00  4.17
assign (resid  33 and name HN    )(resid  33 and name HG*   )  0.00  0.00  3.58
assign (resid  33 and name HA    )(resid  33 and name HB    )  0.00  0.00  2.49
assign (resid  34 and name HN    )(resid  34 and name HB2   )  0.00  0.00  2.71
assign (resid  34 and name HN    )(resid  34 and name HG2   )  0.00  0.00  3.48
assign (resid  34 and name HN    )(resid  34 and name HG1   )  0.00  0.00  3.48
assign (resid  34 and name HN    )(resid  34 and name HG*   )  0.00  0.00  3.31
assign (resid  34 and name HA    )(resid  34 and name HB2   )  0.00  0.00  3.02
assign (resid  34 and name HA    )(resid  34 and name HG2   )  0.00  0.00  3.08
assign (resid  34 and name HA    )(resid  34 and name HG1   )  0.00  0.00  3.08
assign (resid  34 and name HA    )(resid  34 and name HG*   )  0.00  0.00  2.89
assign (resid  34 and name HA    )(resid  34 and name HE21  )  0.00  0.00  5.50
assign (resid  34 and name HA    )(resid  34 and name HE22  )  0.00  0.00  5.50
assign (resid  34 and name HB2   )(resid  34 and name HE21  )  0.00  0.00  5.50
assign (resid  34 and name HB2   )(resid  34 and name HE22  )  0.00  0.00  5.50
assign (resid  34 and name HB1   )(resid  34 and name HE21  )  0.00  0.00  5.50
assign (resid  34 and name HB1   )(resid  34 and name HE22  )  0.00  0.00  5.50
assign (resid  34 and name HB*   )(resid  34 and name HG*   )  0.00  0.00  2.45
assign (resid  34 and name HB*   )(resid  34 and name HE2*  )  0.00  0.00  4.48
assign (resid  35 and name HN    )(resid  35 and name HA    )  0.00  0.00  2.87
assign (resid  35 and name HN    )(resid  35 and name HB2   )  0.00  0.00  3.27
assign (resid  35 and name HN    )(resid  35 and name HB1   )  0.00  0.00  3.27
assign (resid  35 and name HN    )(resid  35 and name HB*   )  0.00  0.00  2.84
assign (resid  35 and name HN    )(resid  35 and name HG*   )  0.00  0.00  4.61
assign (resid  35 and name HN    )(resid  35 and name HD*   )  0.00  0.00  5.20
assign (resid  35 and name HN    )(resid  35 and name HE2   )  0.00  0.00  5.50
assign (resid  35 and name HN    )(resid  35 and name HE1   )  0.00  0.00  5.50
assign (resid  35 and name HA    )(resid  35 and name HB2   )  0.00  0.00  2.99
assign (resid  35 and name HA    )(resid  35 and name HB1   )  0.00  0.00  2.99
assign (resid  35 and name HA    )(resid  35 and name HG*   )  0.00  0.00  3.50
assign (resid  35 and name HA    )(resid  35 and name HD*   )  0.00  0.00  4.02
assign (resid  35 and name HA    )(resid  35 and name HE*   )  0.00  0.00  4.39
assign (resid  35 and name HB2   )(resid  35 and name HE2   )  0.00  0.00  5.30
assign (resid  35 and name HB2   )(resid  35 and name HE1   )  0.00  0.00  5.30
assign (resid  35 and name HB1   )(resid  35 and name HE2   )  0.00  0.00  5.30
assign (resid  35 and name HB1   )(resid  35 and name HE1   )  0.00  0.00  5.30
assign (resid  35 and name HB*   )(resid  35 and name HG*   )  0.00  0.00  2.43
assign (resid  35 and name HB*   )(resid  35 and name HD*   )  0.00  0.00  3.62
assign (resid  35 and name HB*   )(resid  35 and name HE*   )  0.00  0.00  4.02
assign (resid  35 and name HG2   )(resid  35 and name HE2   )  0.00  0.00  3.36
assign (resid  35 and name HG2   )(resid  35 and name HE1   )  0.00  0.00  3.36
assign (resid  35 and name HG1   )(resid  35 and name HE2   )  0.00  0.00  3.36
assign (resid  35 and name HG1   )(resid  35 and name HE1   )  0.00  0.00  3.36
assign (resid  35 and name HG*   )(resid  35 and name HE*   )  0.00  0.00  2.94
assign (resid  36 and name HN    )(resid  36 and name HA    )  0.00  0.00  2.93
assign (resid  36 and name HN    )(resid  36 and name HB*   )  0.00  0.00  3.43
assign (resid  36 and name HA    )(resid  36 and name HB*   )  0.00  0.00  2.66
assign (resid  37 and name HN    )(resid  37 and name HB2   )  0.00  0.00  3.08
assign (resid  37 and name HN    )(resid  37 and name HB1   )  0.00  0.00  3.08
assign (resid  37 and name HN    )(resid  37 and name HB*   )  0.00  0.00  2.81
assign (resid  37 and name HA    )(resid  37 and name HB2   )  0.00  0.00  2.99
assign (resid  37 and name HA    )(resid  37 and name HB1   )  0.00  0.00  2.99
assign (resid  38 and name HN    )(resid  38 and name HB2   )  0.00  0.00  3.21
assign (resid  38 and name HN    )(resid  38 and name HB1   )  0.00  0.00  3.21
assign (resid  38 and name HN    )(resid  38 and name HB*   )  0.00  0.00  2.81
assign (resid  38 and name HN    )(resid  38 and name HG*   )  0.00  0.00  6.04
assign (resid  41 and name HN    )(resid  41 and name HB2   )  0.00  0.00  3.45
assign (resid  41 and name HN    )(resid  41 and name HB1   )  0.00  0.00  3.45
assign (resid  43 and name HB*   )(resid  43 and name HD2   )  0.00  0.00  3.33
assign (resid  44 and name HN    )(resid  44 and name HB*   )  0.00  0.00  3.50
assign (resid  44 and name HN    )(resid  44 and name HG*   )  0.00  0.00  4.52
assign (resid  46 and name HN    )(resid  46 and name HB2   )  0.00  0.00  3.67
assign (resid  46 and name HN    )(resid  46 and name HB1   )  0.00  0.00  3.67
assign (resid  46 and name HN    )(resid  46 and name HB*   )  0.00  0.00  3.47
assign (resid  47 and name HN    )(resid  47 and name HB    )  0.00  0.00  3.21
assign (resid  47 and name HN    )(resid  47 and name HG2*  )  0.00  0.00  4.45
assign (resid  47 and name HA    )(resid  47 and name HB    )  0.00  0.00  3.02
assign (resid  48 and name HN    )(resid  48 and name HB    )  0.00  0.00  2.56
assign (resid  48 and name HA    )(resid  48 and name HB    )  0.00  0.00  2.96
assign (resid  50 and name HN    )(resid  50 and name HB    )  0.00  0.00  2.93
assign (resid  50 and name HN    )(resid  50 and name HG*   )  0.00  0.00  4.12
assign (resid  50 and name HA    )(resid  50 and name HB    )  0.00  0.00  2.83
! total in this range:    206
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.65
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  4.29
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  2.93
assign (resid   2 and name HG*   )(resid   3 and name HN    )  0.00  0.00  6.38
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  4.14
assign (resid   3 and name HB2   )(resid   4 and name HN    )  0.00  0.00  3.11
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  3.11
assign (resid   3 and name HB*   )(resid   4 and name HN    )  0.00  0.00  2.85
assign (resid   4 and name HB*   )(resid   5 and name HN    )  0.00  0.00  3.65
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  3.89
assign (resid   5 and name HA1   )(resid   6 and name HN    )  0.00  0.00  3.08
assign (resid   5 and name HA2   )(resid   6 and name HN    )  0.00  0.00  3.08
assign (resid   5 and name HA*   )(resid   6 and name HN    )  0.00  0.00  2.77
assign (resid   6 and name HN    )(resid   7 and name HN    )  0.00  0.00  4.23
assign (resid   6 and name HA    )(resid   7 and name HN    )  0.00  0.00  2.80
assign (resid   6 and name HB2   )(resid   7 and name HN    )  0.00  0.00  3.52
assign (resid   6 and name HB1   )(resid   7 and name HN    )  0.00  0.00  3.52
assign (resid   6 and name HB*   )(resid   7 and name HN    )  0.00  0.00  3.20
assign (resid   7 and name HB2   )(resid   8 and name HD2   )  0.00  0.00  5.98
assign (resid   7 and name HB2   )(resid   8 and name HD1   )  0.00  0.00  5.98
assign (resid   7 and name HB1   )(resid   8 and name HD2   )  0.00  0.00  5.98
assign (resid   7 and name HB1   )(resid   8 and name HD1   )  0.00  0.00  5.98
assign (resid   7 and name HB*   )(resid   8 and name HD*   )  0.00  0.00  4.38
assign (resid   8 and name HB*   )(resid   9 and name HN    )  0.00  0.00  4.22
assign (resid  11 and name HA    )(resid  12 and name HN    )  0.00  0.00  3.52
assign (resid  13 and name HA    )(resid  14 and name HN    )  0.00  0.00  3.42
assign (resid  13 and name HB*   )(resid  14 and name HN    )  0.00  0.00  4.38
assign (resid  14 and name HA    )(resid  15 and name HD2   )  0.00  0.00  3.52
assign (resid  14 and name HA    )(resid  15 and name HD1   )  0.00  0.00  3.52
assign (resid  14 and name HB    )(resid  15 and name HD*   )  0.00  0.00  4.70
assign (resid  14 and name HG2*  )(resid  15 and name HD*   )  0.00  0.00  6.60
assign (resid  16 and name HB*   )(resid  17 and name HN    )  0.00  0.00  4.27
assign (resid  16 and name HG*   )(resid  17 and name HN    )  0.00  0.00  5.33
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  4.04
assign (resid  18 and name HA1   )(resid  19 and name HN    )  0.00  0.00  3.42
assign (resid  18 and name HA2   )(resid  19 and name HN    )  0.00  0.00  3.42
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  3.83
assign (resid  19 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.21
assign (resid  19 and name HG2*  )(resid  20 and name HN    )  0.00  0.00  5.44
assign (resid  21 and name HA    )(resid  22 and name HN    )  0.00  0.00  3.02
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  3.33
assign (resid  24 and name HB2   )(resid  25 and name HN    )  0.00  0.00  3.61
assign (resid  25 and name HN    )(resid  26 and name HN    )  0.00  0.00  2.59
assign (resid  26 and name HN    )(resid  27 and name HN    )  0.00  0.00  4.32
assign (resid  26 and name HA    )(resid  27 and name HN    )  0.00  0.00  2.56
assign (resid  26 and name HB2   )(resid  27 and name HN    )  0.00  0.00  3.61
assign (resid  26 and name HB1   )(resid  27 and name HN    )  0.00  0.00  3.61
assign (resid  27 and name HN    )(resid  28 and name HN    )  0.00  0.00  3.11
assign (resid  27 and name HB2   )(resid  28 and name HN    )  0.00  0.00  3.67
assign (resid  27 and name HB1   )(resid  28 and name HN    )  0.00  0.00  3.67
assign (resid  27 and name HB*   )(resid  28 and name HN    )  0.00  0.00  3.30
assign (resid  27 and name HB*   )(resid  28 and name HA    )  0.00  0.00  4.61
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  2.96
assign (resid  28 and name HB*   )(resid  29 and name HN    )  0.00  0.00  4.27
assign (resid  29 and name HN    )(resid  30 and name HN    )  0.00  0.00  2.99
assign (resid  29 and name HA2   )(resid  30 and name HN    )  0.00  0.00  3.42
assign (resid  29 and name HA*   )(resid  30 and name HN    )  0.00  0.00  3.14
assign (resid  30 and name HA    )(resid  31 and name HA    )  0.00  0.00  4.20
assign (resid  30 and name HA    )(resid  31 and name HG*   )  0.00  0.00  5.38
assign (resid  30 and name HA    )(resid  31 and name HD2   )  0.00  0.00  2.87
assign (resid  30 and name HA    )(resid  31 and name HD1   )  0.00  0.00  2.87
assign (resid  30 and name HA    )(resid  31 and name HD*   )  0.00  0.00  2.49
assign (resid  30 and name HB2   )(resid  31 and name HD2   )  0.00  0.00  5.55
assign (resid  30 and name HB2   )(resid  31 and name HD1   )  0.00  0.00  5.55
assign (resid  30 and name HB1   )(resid  31 and name HD2   )  0.00  0.00  5.55
assign (resid  30 and name HB1   )(resid  31 and name HD1   )  0.00  0.00  5.55
assign (resid  30 and name HB*   )(resid  31 and name HD*   )  0.00  0.00  4.53
assign (resid  31 and name HB2   )(resid  32 and name HN    )  0.00  0.00  3.30
assign (resid  31 and name HB2   )(resid  32 and name HD21  )  0.00  0.00  5.50
assign (resid  31 and name HB2   )(resid  32 and name HD22  )  0.00  0.00  5.50
assign (resid  31 and name HB1   )(resid  32 and name HN    )  0.00  0.00  3.30
assign (resid  31 and name HB1   )(resid  32 and name HD21  )  0.00  0.00  5.50
assign (resid  31 and name HB1   )(resid  32 and name HD22  )  0.00  0.00  5.50
assign (resid  31 and name HB*   )(resid  32 and name HN    )  0.00  0.00  3.04
assign (resid  31 and name HB*   )(resid  32 and name HD2*  )  0.00  0.00  4.44
assign (resid  31 and name HG2   )(resid  32 and name HD21  )  0.00  0.00  6.97
assign (resid  31 and name HG2   )(resid  32 and name HD22  )  0.00  0.00  6.97
assign (resid  31 and name HG1   )(resid  32 and name HD21  )  0.00  0.00  6.97
assign (resid  31 and name HG1   )(resid  32 and name HD22  )  0.00  0.00  6.97
assign (resid  31 and name HG*   )(resid  32 and name HD2*  )  0.00  0.00  5.96
assign (resid  31 and name HD*   )(resid  32 and name HD2*  )  0.00  0.00  6.93
assign (resid  32 and name HN    )(resid  33 and name HN    )  0.00  0.00  4.29
assign (resid  32 and name HB2   )(resid  33 and name HN    )  0.00  0.00  2.99
assign (resid  32 and name HB2   )(resid  33 and name HG1*  )  0.00  0.00  5.78
assign (resid  32 and name HB2   )(resid  33 and name HG2*  )  0.00  0.00  5.78
assign (resid  32 and name HB1   )(resid  33 and name HN    )  0.00  0.00  2.99
assign (resid  32 and name HB1   )(resid  33 and name HG1*  )  0.00  0.00  5.78
assign (resid  32 and name HB1   )(resid  33 and name HG2*  )  0.00  0.00  5.78
assign (resid  32 and name HB*   )(resid  33 and name HN    )  0.00  0.00  2.71
assign (resid  32 and name HB*   )(resid  33 and name HG*   )  0.00  0.00  5.13
assign (resid  32 and name HD21  )(resid  33 and name HN    )  0.00  0.00  5.50
assign (resid  32 and name HD22  )(resid  33 and name HN    )  0.00  0.00  5.50
assign (resid  33 and name HN    )(resid  34 and name HN    )  0.00  0.00  2.71
assign (resid  33 and name HN    )(resid  34 and name HA    )  0.00  0.00  5.38
assign (resid  33 and name HN    )(resid  34 and name HB2   )  0.00  0.00  5.00
assign (resid  33 and name HN    )(resid  34 and name HB1   )  0.00  0.00  5.00
assign (resid  33 and name HN    )(resid  34 and name HB*   )  0.00  0.00  4.30
assign (resid  33 and name HN    )(resid  34 and name HG2   )  0.00  0.00  5.50
assign (resid  33 and name HN    )(resid  34 and name HG1   )  0.00  0.00  5.50
assign (resid  33 and name HG1*  )(resid  34 and name HN    )  0.00  0.00  6.00
assign (resid  33 and name HG2*  )(resid  34 and name HN    )  0.00  0.00  6.00
assign (resid  33 and name HG*   )(resid  34 and name HB*   )  0.00  0.00  8.93
assign (resid  33 and name HG*   )(resid  34 and name HE2*  )  0.00  0.00  8.95
assign (resid  34 and name HN    )(resid  35 and name HN    )  0.00  0.00  5.00
assign (resid  34 and name HA    )(resid  35 and name HN    )  0.00  0.00  2.40
assign (resid  34 and name HB*   )(resid  35 and name HN    )  0.00  0.00  4.39
assign (resid  34 and name HG*   )(resid  35 and name HN    )  0.00  0.00  4.02
assign (resid  34 and name HE2*  )(resid  35 and name HN    )  0.00  0.00  6.37
assign (resid  35 and name HN    )(resid  36 and name HN    )  0.00  0.00  4.50
assign (resid  35 and name HA    )(resid  36 and name HN    )  0.00  0.00  2.74
assign (resid  35 and name HB*   )(resid  36 and name HN    )  0.00  0.00  4.14
assign (resid  35 and name HG*   )(resid  36 and name HN    )  0.00  0.00  4.11
assign (resid  35 and name HD*   )(resid  36 and name HN    )  0.00  0.00  6.25
assign (resid  37 and name HA    )(resid  38 and name HN    )  0.00  0.00  2.62
assign (resid  37 and name HB2   )(resid  38 and name HN    )  0.00  0.00  3.67
assign (resid  37 and name HB1   )(resid  38 and name HN    )  0.00  0.00  3.67
assign (resid  37 and name HB*   )(resid  38 and name HN    )  0.00  0.00  3.39
assign (resid  38 and name HN    )(resid  39 and name HN    )  0.00  0.00  4.26
assign (resid  38 and name HA    )(resid  39 and name HN    )  0.00  0.00  3.30
assign (resid  38 and name HB*   )(resid  39 and name HN    )  0.00  0.00  5.41
assign (resid  38 and name HG2   )(resid  39 and name HN    )  0.00  0.00  5.50
assign (resid  38 and name HG1   )(resid  39 and name HN    )  0.00  0.00  5.50
assign (resid  45 and name HB    )(resid  46 and name HN    )  0.00  0.00  3.80
assign (resid  45 and name HG2*  )(resid  46 and name HN    )  0.00  0.00  5.44
assign (resid  46 and name HN    )(resid  47 and name HN    )  0.00  0.00  4.51
assign (resid  46 and name HA    )(resid  47 and name HN    )  0.00  0.00  2.65
assign (resid  46 and name HA    )(resid  47 and name HG2*  )  0.00  0.00  6.53
assign (resid  46 and name HB2   )(resid  47 and name HN    )  0.00  0.00  3.95
assign (resid  46 and name HB1   )(resid  47 and name HN    )  0.00  0.00  3.95
assign (resid  46 and name HB*   )(resid  47 and name HN    )  0.00  0.00  3.65
assign (resid  48 and name HA    )(resid  49 and name HD2   )  0.00  0.00  2.83
assign (resid  48 and name HA    )(resid  49 and name HD1   )  0.00  0.00  2.83
assign (resid  48 and name HG2*  )(resid  49 and name HD2   )  0.00  0.00  4.85
assign (resid  48 and name HG2*  )(resid  49 and name HD1   )  0.00  0.00  4.85
assign (resid  48 and name HG2*  )(resid  49 and name HD*   )  0.00  0.00  4.41
assign (resid  50 and name HA    )(resid  51 and name HD2   )  0.00  0.00  2.90
assign (resid  50 and name HA    )(resid  51 and name HD1   )  0.00  0.00  2.90
assign (resid  50 and name HA    )(resid  51 and name HD*   )  0.00  0.00  2.59
assign (resid  50 and name HG1*  )(resid  51 and name HD2   )  0.00  0.00  6.53
assign (resid  50 and name HG1*  )(resid  51 and name HD1   )  0.00  0.00  6.53
assign (resid  50 and name HG2*  )(resid  51 and name HD2   )  0.00  0.00  6.53
assign (resid  50 and name HG2*  )(resid  51 and name HD1   )  0.00  0.00  6.53
assign (resid  50 and name HG*   )(resid  51 and name HD*   )  0.00  0.00  5.19
! total in this range:    143
! range |i-j| =     2
assign (resid  15 and name HA    )(resid  17 and name HN    )  0.00  0.00  4.00
assign (resid  22 and name HG2*  )(resid  24 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HN    )(resid  29 and name HN    )  0.00  0.00  4.72
assign (resid  27 and name HA    )(resid  29 and name HN    )  0.00  0.00  3.89
assign (resid  31 and name HB*   )(resid  33 and name HG*   )  0.00  0.00  8.96
assign (resid  32 and name HN    )(resid  34 and name HN    )  0.00  0.00  4.97
assign (resid  32 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.80
assign (resid  32 and name HD2*  )(resid  34 and name HB*   )  0.00  0.00  7.15
assign (resid  33 and name HG1*  )(resid  35 and name HE2   )  0.00  0.00  8.10
assign (resid  33 and name HG1*  )(resid  35 and name HE1   )  0.00  0.00  8.10
assign (resid  33 and name HG2*  )(resid  35 and name HE2   )  0.00  0.00  8.10
assign (resid  33 and name HG2*  )(resid  35 and name HE1   )  0.00  0.00  8.10
assign (resid  33 and name HG*   )(resid  35 and name HE*   )  0.00  0.00  6.29
assign (resid  43 and name HE1   )(resid  45 and name HG2*  )  0.00  0.00  6.53
! total in this range:     14
! range |i-j| =     3
assign (resid  31 and name HB*   )(resid  34 and name HE2*  )  0.00  0.00  7.24
assign (resid  31 and name HD*   )(resid  34 and name HB*   )  0.00  0.00  6.26
assign (resid  31 and name HD*   )(resid  34 and name HG*   )  0.00  0.00  7.25
! hydrogen bond
assign (resid  34 and name HN    )(resid  31 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  34 and name N     )(resid  31 and name O     )  3.20  0.30  0.00
! total in this range:      5
! range |i-j| =     4
assign (resid  30 and name HB*   )(resid  34 and name HB*   )  0.00  0.00  4.68
assign (resid  30 and name HB*   )(resid  34 and name HG*   )  0.00  0.00  5.02
! hydrogen bond
assign (resid  30 and name HN    )(resid  26 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  30 and name N     )(resid  26 and name O     )  3.20  0.30  0.00
! total in this range:      4
! range |i-j| =     5
assign (resid  24 and name HB2   )(resid  29 and name HA1   )  0.00  0.00  5.50
assign (resid  24 and name HB2   )(resid  29 and name HA2   )  0.00  0.00  5.50
assign (resid  24 and name HB1   )(resid  29 and name HA1   )  0.00  0.00  5.50
assign (resid  24 and name HB1   )(resid  29 and name HA2   )  0.00  0.00  5.50
assign (resid  24 and name HB*   )(resid  29 and name HA*   )  0.00  0.00  5.17
! total in this range:      5
! range |i-j| =     6
assign (resid  38 and name HN    )(resid  44 and name HE*   )  0.00  0.00  5.47
assign (resid  44 and name HA    )(resid  38 and name HA    )  0.00  0.00  4.00
! total in this range:      2
! range |i-j| =     7
assign (resid  37 and name HA    )(resid  44 and name HE*   )  0.00  0.00  4.64
assign (resid  38 and name HA    )(resid  45 and name HN    )  0.00  0.00  5.00
! total in this range:      2
! range |i-j| =     8
assign (resid  28 and name HN    )(resid  36 and name HB*   )  0.00  0.00  6.38
! hydrogen bond
assign (resid  37 and name HN    )(resid  45 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  37 and name N     )(resid  45 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  45 and name HN    )(resid  37 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  45 and name N     )(resid  37 and name O     )  3.20  0.30  0.00
! total in this range:      5
! range |i-j| =     9
assign (resid  27 and name HN    )(resid  36 and name HN    )  0.00  0.00  4.07
assign (resid  27 and name HN    )(resid  36 and name HB*   )  0.00  0.00  4.95
assign (resid  27 and name HA    )(resid  36 and name HN    )  0.00  0.00  2.87
assign (resid  27 and name HA    )(resid  36 and name HB*   )  0.00  0.00  3.68
assign (resid  27 and name HB2   )(resid  36 and name HN    )  0.00  0.00  5.50
assign (resid  27 and name HB1   )(resid  36 and name HN    )  0.00  0.00  5.50
assign (resid  37 and name HN    )(resid  46 and name HA    )  0.00  0.00  4.97
assign (resid  36 and name HA    )(resid  45 and name HN    )  0.00  0.00  5.00
! total in this range:      8
! range |i-j| =    10
assign (resid  37 and name HA    )(resid  47 and name HG2*  )  0.00  0.00  6.53
assign (resid  37 and name HB2   )(resid  47 and name HG2*  )  0.00  0.00  4.36
assign (resid  37 and name HB1   )(resid  47 and name HG2*  )  0.00  0.00  4.36
assign (resid  37 and name HB*   )(resid  47 and name HN    )  0.00  0.00  5.76
assign (resid  37 and name HB*   )(resid  47 and name HG2*  )  0.00  0.00  4.17
assign (resid  36 and name HA    )(resid  46 and name HA    )  0.00  0.00  4.00
! total in this range:      6
! range |i-j| =    11
assign (resid  35 and name HN    )(resid  46 and name HA    )  0.00  0.00  4.57
assign (resid  36 and name HA    )(resid  47 and name HN    )  0.00  0.00  3.80
! total in this range:      2
! range |i-j| =    12
assign (resid  34 and name HB2   )(resid  46 and name HB2   )  0.00  0.00  6.60
assign (resid  34 and name HB2   )(resid  46 and name HB1   )  0.00  0.00  6.60
assign (resid  34 and name HB1   )(resid  46 and name HB2   )  0.00  0.00  6.60
assign (resid  34 and name HB1   )(resid  46 and name HB1   )  0.00  0.00  6.60
assign (resid  34 and name HB*   )(resid  46 and name HB*   )  0.00  0.00  5.12
assign (resid  34 and name HG2   )(resid  46 and name HB2   )  0.00  0.00  6.01
assign (resid  34 and name HG2   )(resid  46 and name HB1   )  0.00  0.00  6.01
assign (resid  34 and name HG1   )(resid  46 and name HB2   )  0.00  0.00  6.01
assign (resid  34 and name HG1   )(resid  46 and name HB1   )  0.00  0.00  6.01
assign (resid  34 and name HG*   )(resid  46 and name HA    )  0.00  0.00  6.38
assign (resid  34 and name HG*   )(resid  46 and name HB*   )  0.00  0.00  4.68
assign (resid  35 and name HN    )(resid  47 and name HN    )  0.00  0.00  3.14
assign (resid  35 and name HN    )(resid  47 and name HA    )  0.00  0.00  5.00
assign (resid  35 and name HA    )(resid  47 and name HN    )  0.00  0.00  5.31
! hydrogen bond
assign (resid  47 and name HN    )(resid  35 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  47 and name N     )(resid  35 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  35 and name HN    )(resid  47 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  35 and name N     )(resid  47 and name O     )  3.20  0.30  0.00
! total in this range:     18
! range |i-j| =    13
assign (resid  34 and name HA    )(resid  47 and name HN    )  0.00  0.00  4.04
assign (resid  34 and name HB*   )(resid  47 and name HN    )  0.00  0.00  5.82
assign (resid  34 and name HG2   )(resid  47 and name HN    )  0.00  0.00  5.50
assign (resid  34 and name HG1   )(resid  47 and name HN    )  0.00  0.00  5.50
assign (resid  34 and name HG*   )(resid  47 and name HN    )  0.00  0.00  4.63
! total in this range:      5
! range |i-j| =    14
assign (resid  34 and name HB*   )(resid  48 and name HA    )  0.00  0.00  5.48
assign (resid  35 and name HN    )(resid  49 and name HD2   )  0.00  0.00  5.00
assign (resid  35 and name HN    )(resid  49 and name HD1   )  0.00  0.00  5.00
assign (resid  35 and name HN    )(resid  49 and name HD*   )  0.00  0.00  4.23
assign (resid  35 and name HB*   )(resid  49 and name HD*   )  0.00  0.00  6.42
! total in this range:      5
! range |i-j| =    15
assign (resid  31 and name HG*   )(resid  46 and name HB*   )  0.00  0.00  6.94
assign (resid  31 and name HD2   )(resid  46 and name HB2   )  0.00  0.00  6.88
assign (resid  31 and name HD2   )(resid  46 and name HB1   )  0.00  0.00  6.88
assign (resid  31 and name HD1   )(resid  46 and name HB2   )  0.00  0.00  6.88
assign (resid  31 and name HD1   )(resid  46 and name HB1   )  0.00  0.00  6.88
assign (resid  31 and name HD*   )(resid  46 and name HB*   )  0.00  0.00  5.36
assign (resid  33 and name HG*   )(resid  48 and name HG2*  )  0.00  0.00  8.12
assign (resid  34 and name HA    )(resid  49 and name HD*   )  0.00  0.00  4.49
assign (resid  34 and name HB*   )(resid  49 and name HD*   )  0.00  0.00  7.00
! total in this range:      9
! range |i-j| =    16
assign (resid  30 and name HA    )(resid  46 and name HB*   )  0.00  0.00  6.35
assign (resid  30 and name HB*   )(resid  46 and name HB*   )  0.00  0.00  4.90
assign (resid  33 and name HG1*  )(resid  49 and name HD2   )  0.00  0.00  7.97
assign (resid  33 and name HG1*  )(resid  49 and name HD1   )  0.00  0.00  7.97
assign (resid  33 and name HG2*  )(resid  49 and name HD2   )  0.00  0.00  7.97
assign (resid  33 and name HG2*  )(resid  49 and name HD1   )  0.00  0.00  7.97
assign (resid  33 and name HG*   )(resid  49 and name HD*   )  0.00  0.00  6.26
! total in this range:      7
! range |i-j| =    20
! hydrogen bond
assign (resid  24 and name HN    )(resid  44 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  24 and name N     )(resid  44 and name O     )  3.20  0.30  0.00
! total in this range:      2
! range |i-j| =    21
assign (resid  22 and name HN    )(resid  43 and name HD1   )  0.00  0.00  4.45
assign (resid  22 and name HN    )(resid  43 and name HE1   )  0.00  0.00  5.50
assign (resid  22 and name HB    )(resid  43 and name HD2   )  0.00  0.00  5.50
! total in this range:      3
! range |i-j| =    22
assign (resid  19 and name HG2*  )(resid  41 and name HN    )  0.00  0.00  5.16
assign (resid  21 and name HA    )(resid  43 and name HD1   )  0.00  0.00  3.95
assign (resid  21 and name HA    )(resid  43 and name HE1   )  0.00  0.00  5.38
assign (resid  22 and name HG2*  )(resid  44 and name HB*   )  0.00  0.00  5.57
! total in this range:      4
! range |i-j| =    24
assign (resid   3 and name HN    )(resid  27 and name HB2   )  0.00  0.00  4.35
assign (resid   3 and name HN    )(resid  27 and name HB1   )  0.00  0.00  4.35
assign (resid   3 and name HN    )(resid  27 and name HB*   )  0.00  0.00  4.02
assign (resid   3 and name HB*   )(resid  27 and name HB*   )  0.00  0.00  4.71
assign (resid   3 and name HG*   )(resid  27 and name HB*   )  0.00  0.00  4.93
assign (resid   3 and name HD*   )(resid  27 and name HB*   )  0.00  0.00  6.11
assign (resid   3 and name HE*   )(resid  27 and name HB*   )  0.00  0.00  5.39
assign (resid   3 and name HZ*   )(resid  27 and name HA    )  0.00  0.00  6.31
assign (resid   3 and name HZ*   )(resid  27 and name HB*   )  0.00  0.00  6.73
! total in this range:      9
! range |i-j| =    25
assign (resid   2 and name HA    )(resid  27 and name HB2   )  0.00  0.00  5.13
assign (resid   2 and name HA    )(resid  27 and name HB1   )  0.00  0.00  5.13
assign (resid   2 and name HA    )(resid  27 and name HB*   )  0.00  0.00  4.59
assign (resid   3 and name HE2   )(resid  28 and name HA    )  0.00  0.00  4.72
assign (resid   3 and name HE1   )(resid  28 and name HA    )  0.00  0.00  4.72
assign (resid   3 and name HE*   )(resid  28 and name HA    )  0.00  0.00  4.18
assign (resid   3 and name HZ*   )(resid  28 and name HA    )  0.00  0.00  6.22
! total in this range:      7
! range |i-j| =    27
assign (resid   3 and name HZ*   )(resid  30 and name HN    )  0.00  0.00  5.57
assign (resid   3 and name HZ*   )(resid  30 and name HA    )  0.00  0.00  6.31
! total in this range:      2
! range |i-j| =    28
assign (resid   3 and name HZ*   )(resid  31 and name HA    )  0.00  0.00  6.31
assign (resid   3 and name HZ*   )(resid  31 and name HD2   )  0.00  0.00  6.31
assign (resid   3 and name HZ*   )(resid  31 and name HD1   )  0.00  0.00  6.31
assign (resid   7 and name HN    )(resid  35 and name HE*   )  0.00  0.00  5.32
! total in this range:      4
! range |i-j| =    29
assign (resid   3 and name HZ*   )(resid  32 and name HN    )  0.00  0.00  6.31
assign (resid   6 and name HA    )(resid  35 and name HG*   )  0.00  0.00  5.38
assign (resid   6 and name HA    )(resid  35 and name HE*   )  0.00  0.00  4.05
assign (resid   8 and name HD2   )(resid  37 and name HB2   )  0.00  0.00  5.11
assign (resid   8 and name HD2   )(resid  37 and name HB1   )  0.00  0.00  5.11
assign (resid   8 and name HD1   )(resid  37 and name HB2   )  0.00  0.00  5.11
assign (resid   8 and name HD1   )(resid  37 and name HB1   )  0.00  0.00  5.11
assign (resid   8 and name HD*   )(resid  37 and name HB*   )  0.00  0.00  3.87
! total in this range:      8
! range |i-j| =    30
assign (resid   3 and name HZ*   )(resid  33 and name HN    )  0.00  0.00  6.31
assign (resid   3 and name HZ*   )(resid  33 and name HA    )  0.00  0.00  5.07
assign (resid   7 and name HB2   )(resid  37 and name HB2   )  0.00  0.00  5.64
assign (resid   7 and name HB2   )(resid  37 and name HB1   )  0.00  0.00  5.64
assign (resid   7 and name HB1   )(resid  37 and name HB2   )  0.00  0.00  5.64
assign (resid   7 and name HB1   )(resid  37 and name HB1   )  0.00  0.00  5.64
assign (resid   7 and name HB*   )(resid  37 and name HA    )  0.00  0.00  5.94
assign (resid   7 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  4.44
! total in this range:      8
! range |i-j| =    31
assign (resid   3 and name HZ*   )(resid  34 and name HN    )  0.00  0.00  5.11
assign (resid   3 and name HZ*   )(resid  34 and name HA    )  0.00  0.00  6.31
assign (resid   3 and name HZ*   )(resid  34 and name HB*   )  0.00  0.00  7.19
! total in this range:      3
! range |i-j| =    32
assign (resid   3 and name HN    )(resid  35 and name HZ*   )  0.00  0.00  6.31
assign (resid   3 and name HD*   )(resid  35 and name HA    )  0.00  0.00  5.14
! total in this range:      2
! range |i-j| =    39
assign (resid   8 and name HB*   )(resid  47 and name HG2*  )  0.00  0.00  5.48
assign (resid   8 and name HD*   )(resid  47 and name HG2*  )  0.00  0.00  4.89
! total in this range:      2
! range |i-j| =    42
assign (resid   8 and name HA    )(resid  50 and name HG1*  )  0.00  0.00  5.54
assign (resid   8 and name HA    )(resid  50 and name HG2*  )  0.00  0.00  5.54
assign (resid   8 and name HA    )(resid  50 and name HG*   )  0.00  0.00  4.62
assign (resid   8 and name HB2   )(resid  50 and name HG1*  )  0.00  0.00  6.82
assign (resid   8 and name HB2   )(resid  50 and name HG2*  )  0.00  0.00  6.82
assign (resid   8 and name HB1   )(resid  50 and name HG1*  )  0.00  0.00  6.82
assign (resid   8 and name HB1   )(resid  50 and name HG2*  )  0.00  0.00  6.82
assign (resid   8 and name HB*   )(resid  50 and name HG*   )  0.00  0.00  5.58
assign (resid   8 and name HD*   )(resid  50 and name HN    )  0.00  0.00  5.69
assign (resid   8 and name HD*   )(resid  50 and name HG*   )  0.00  0.00  7.32
! total in this range:     10
! range |i-j| =    43
assign (resid   7 and name HN    )(resid  50 and name HG*   )  0.00  0.00  8.09
! total in this range:      1
! range |i-j| =    44
assign (resid   6 and name HN    )(resid  50 and name HG*   )  0.00  0.00  7.75
assign (resid   6 and name HB2   )(resid  50 and name HG1*  )  0.00  0.00  8.44
assign (resid   6 and name HB2   )(resid  50 and name HG2*  )  0.00  0.00  8.44
assign (resid   6 and name HB1   )(resid  50 and name HG1*  )  0.00  0.00  8.44
assign (resid   6 and name HB1   )(resid  50 and name HG2*  )  0.00  0.00  8.44
assign (resid   6 and name HB*   )(resid  50 and name HG*   )  0.00  0.00  6.50
! hydrogen bond
assign (resid   6 and name HN    )(resid  50 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid   6 and name N     )(resid  50 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  50 and name HN    )(resid   6 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  50 and name N     )(resid   6 and name O     )  3.20  0.30  0.00
! total in this range:     10
! total constraints:      521
set echo=true end
set wrnlev=5 end
{PHI angles}
assign ( resid 35 and name c ) (  resid 36 and name n )
 ( resid 36 and name ca ) ( resid 36 and name c ) 1.0 -120.0 20.0 2
assign ( resid 46 and name c ) (  resid 47 and name n )
 ( resid 47 and name ca ) ( resid 47 and name c ) 1.0 -120.0 20.0 2
assign ( resid 4 and name c ) (  resid 5 and name n )
 ( resid 5 and name ca ) ( resid 5 and name c ) 1.0 -120.0 30.0 2
assign ( resid 5 and name c ) (  resid 6 and name n )
 ( resid 6 and name ca ) ( resid 6 and name c ) 1.0 -120.0 30.0 2
assign ( resid 34 and name c ) (  resid 35 and name n )
 ( resid 35 and name ca ) ( resid 35 and name c ) 1.0 -120.0 30.0 2
assign ( resid 43 and name c ) (  resid 44 and name n )
 ( resid 44 and name ca ) ( resid 44 and name c ) 1.0 -120.0 30.0 2
assign ( resid 2 and name c ) (  resid 3 and name n )
 ( resid 3 and name ca ) ( resid 3 and name c ) 1.0 -120.0 30.0 2
assign ( resid 26 and name c ) (  resid 27 and name n )
 ( resid 27 and name ca ) ( resid 27 and name c ) 1.0 -60.0 40.0 2
assign ( resid 27 and name c ) (  resid 28 and name n )
 ( resid 28 and name ca ) ( resid 28 and name c ) 1.0 -60.0 40.0 2
{PSI angles}
{CHI1 angles}
{more CHI1 angles}
{CHI2 angles}
{more CHI2 angles}
{CHI21 angles}


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASN   1          1HT       ASN   1   4.424 -10.264 -10.848
    2   2H    ASN   1          2HT       ASN   1   3.510 -11.716 -10.867
    3   3H    ASN   1          3HT       ASN   1   4.099 -11.089  -9.382
    4    HA   ASN   1           HA       ASN   1   2.750  -9.086  -9.805
    5   1HB   ASN   1          2HB       ASN   1   2.387 -10.495 -12.264
    6   2HB   ASN   1          1HB       ASN   1   0.819 -10.363 -11.474
    7   1HD2  ASN   1          1HD2      ASN   1   1.925  -9.070 -13.887
    8   2HD2  ASN   1          2HD2      ASN   1   1.726  -7.373 -13.626
    9    H    GLU   2           H        GLU   2   0.950  -8.950  -8.500
   10    HA   GLU   2           HA       GLU   2  -0.549  -9.579  -6.910
   11   1HB   GLU   2          2HB       GLU   2  -1.434 -10.806  -9.021
   12   2HB   GLU   2          1HB       GLU   2  -0.807 -12.255  -8.248
   13   1HG   GLU   2          2HG       GLU   2  -2.508 -12.359  -6.818
   14   2HG   GLU   2          1HG       GLU   2  -2.428 -10.635  -6.459
   15    H    LYS   3           H        LYS   3   0.409  -9.818  -4.993
   16    HA   LYS   3           HA       LYS   3   2.170 -12.080  -4.494
   17   1HB   LYS   3          2HB       LYS   3   2.180  -9.453  -3.642
   18   2HB   LYS   3          1HB       LYS   3   1.598 -10.320  -2.228
   19   1HG   LYS   3          2HG       LYS   3   3.589 -11.842  -2.485
   20   2HG   LYS   3          1HG       LYS   3   4.194 -10.705  -3.690
   21   1HD   LYS   3          2HD       LYS   3   3.335  -9.519  -1.131
   22   2HD   LYS   3          1HD       LYS   3   4.761 -10.555  -1.053
   23   1HE   LYS   3          2HE       LYS   3   5.151  -8.975  -3.313
   24   2HE   LYS   3          1HE       LYS   3   4.475  -7.878  -2.110
   25   1HZ   LYS   3          1HZ       LYS   3   6.300  -8.022  -0.824
   26   2HZ   LYS   3          2HZ       LYS   3   7.059  -8.456  -2.271
   27   3HZ   LYS   3          3HZ       LYS   3   6.577  -9.652  -1.178
   28    H    SER   4           H        SER   4  -0.585 -10.589  -2.789
   29    HA   SER   4           HA       SER   4  -1.641 -13.247  -2.213
   30   1HB   SER   4          2HB       SER   4  -0.211 -12.712  -0.280
   31   2HB   SER   4          1HB       SER   4  -1.092 -11.202  -0.047
   32    HG   SER   4           HG       SER   4  -1.750 -13.727   0.717
   33    H    GLY   5           H        GLY   5  -2.077  -9.749  -1.772
   34   1HA   GLY   5          2HA       GLY   5  -4.963 -10.143  -2.264
   35   2HA   GLY   5          1HA       GLY   5  -4.328  -8.904  -1.196
   36    H    SER   6           H        SER   6  -4.859  -7.040  -2.141
   37    HA   SER   6           HA       SER   6  -3.672  -6.434  -4.714
   38   1HB   SER   6          2HB       SER   6  -6.455  -5.494  -4.574
   39   2HB   SER   6          1HB       SER   6  -5.565  -6.187  -5.928
   40    HG   SER   6           HG       SER   6  -6.875  -7.544  -3.818
   41    H    CYS   7           H        CYS   7  -4.886  -4.007  -5.162
   42    HA   CYS   7           HA       CYS   7  -3.667  -2.398  -3.088
   43   1HB   CYS   7          2HB       CYS   7  -3.201  -1.813  -5.392
   44   2HB   CYS   7          1HB       CYS   7  -4.920  -1.669  -5.742
   45    HA   PRO   8           HA       PRO   8  -7.588  -1.485  -1.186
   46   1HB   PRO   8          2HB       PRO   8  -6.766   0.280   0.643
   47   2HB   PRO   8          1HB       PRO   8  -6.293  -1.421   0.736
   48   1HG   PRO   8          2HG       PRO   8  -4.725   0.931  -0.233
   49   2HG   PRO   8          1HG       PRO   8  -4.191  -0.445   0.748
   50   1HD   PRO   8          2HD       PRO   8  -3.804  -0.202  -1.982
   51   2HD   PRO   8          1HD       PRO   8  -3.783  -1.734  -1.090
   52    H    ASP   9           H        ASP   9  -8.468  -0.464  -3.123
   53    HA   ASP   9           HA       ASP   9  -8.007   2.234  -3.793
   54   1HB   ASP   9          2HB       ASP   9  -9.198   0.319  -5.123
   55   2HB   ASP   9          1HB       ASP   9 -10.646   0.908  -4.313
   56    H    MET  10           H        MET  10  -8.307   3.846  -2.392
   57    HA   MET  10           HA       MET  10 -10.944   4.367  -1.373
   58   1HB   MET  10          2HB       MET  10  -8.958   3.101   0.317
   59   2HB   MET  10          1HB       MET  10  -9.438   4.662   0.968
   60   1HG   MET  10          2HG       MET  10 -11.489   2.668   0.096
   61   2HG   MET  10          1HG       MET  10 -10.730   2.560   1.683
   62   1HE   MET  10          1HE       MET  10 -13.191   3.306   3.323
   63   2HE   MET  10          2HE       MET  10 -12.406   4.791   3.859
   64   3HE   MET  10          3HE       MET  10 -11.437   3.361   3.502
   65    H    SER  11           H        SER  11  -7.504   5.222  -1.169
   66    HA   SER  11           HA       SER  11  -6.420   7.219  -1.267
   67   1HB   SER  11          2HB       SER  11  -8.985   7.946  -2.682
   68   2HB   SER  11          1HB       SER  11  -7.658   9.093  -2.489
   69    HG   SER  11           HG       SER  11  -7.162   8.158  -4.358
   70    H    MET  12           H        MET  12  -8.109   6.526   1.055
   71    HA   MET  12           HA       MET  12  -9.314   8.923   2.025
   72   1HB   MET  12          2HB       MET  12  -9.229   6.219   2.803
   73   2HB   MET  12          1HB       MET  12  -8.547   7.127   4.146
   74   1HG   MET  12          2HG       MET  12 -10.710   8.634   3.602
   75   2HG   MET  12          1HG       MET  12 -11.299   7.045   3.113
   76   1HE   MET  12          1HE       MET  12 -12.523   8.641   6.332
   77   2HE   MET  12          2HE       MET  12 -13.176   7.020   6.092
   78   3HE   MET  12          3HE       MET  12 -12.942   8.090   4.710
   79    HA   PRO  13           HA       PRO  13  -5.388   9.298   4.804
   80   1HB   PRO  13          2HB       PRO  13  -3.260   7.708   4.211
   81   2HB   PRO  13          1HB       PRO  13  -4.520   7.249   5.363
   82   1HG   PRO  13          2HG       PRO  13  -4.192   6.453   2.497
   83   2HG   PRO  13          1HG       PRO  13  -4.645   5.456   3.890
   84   1HD   PRO  13          2HD       PRO  13  -6.465   6.390   2.126
   85   2HD   PRO  13          1HD       PRO  13  -6.838   6.171   3.848
   86    H    ILE  14           H        ILE  14  -4.542  11.171   4.187
   87    HA   ILE  14           HA       ILE  14  -2.957  11.262   1.707
   88    HB   ILE  14           HB       ILE  14  -4.714  13.506   2.700
   89   1HG1  ILE  14          2HG1      ILE  14  -5.360  12.187   0.143
   90   2HG1  ILE  14          1HG1      ILE  14  -5.645  11.202   1.574
   91   1HG2  ILE  14          1HG2      ILE  14  -2.526  13.696   1.138
   92   2HG2  ILE  14          2HG2      ILE  14  -3.914  14.778   1.020
   93   3HG2  ILE  14          3HG2      ILE  14  -3.763  13.412  -0.085
   94   1HD1  ILE  14          1HD1      ILE  14  -7.543  12.680   0.646
   95   2HD1  ILE  14          2HD1      ILE  14  -6.683  13.997   1.443
   96   3HD1  ILE  14          3HD1      ILE  14  -7.267  12.627   2.386
   97    HA   PRO  15           HA       PRO  15  -0.083  12.642   4.953
   98   1HB   PRO  15          2HB       PRO  15   2.140  12.465   3.384
   99   2HB   PRO  15          1HB       PRO  15   1.431  11.084   4.228
  100   1HG   PRO  15          2HG       PRO  15   1.129  11.917   1.369
  101   2HG   PRO  15          1HG       PRO  15   1.373  10.294   2.043
  102   1HD   PRO  15          2HD       PRO  15  -1.052  11.169   1.257
  103   2HD   PRO  15          1HD       PRO  15  -0.849  10.069   2.636
  104    HA   PRO  16           HA       PRO  16  -0.231  16.834   3.204
  105   1HB   PRO  16          2HB       PRO  16  -0.053  18.140   5.555
  106   2HB   PRO  16          1HB       PRO  16  -1.561  17.401   5.003
  107   1HG   PRO  16          2HG       PRO  16   0.452  16.360   6.961
  108   2HG   PRO  16          1HG       PRO  16  -1.319  16.351   7.066
  109   1HD   PRO  16          2HD       PRO  16   0.139  14.181   6.307
  110   2HD   PRO  16          1HD       PRO  16  -1.511  14.490   5.730
  111    H    LEU  17           H        LEU  17   2.107  15.450   5.420
  112    HA   LEU  17           HA       LEU  17   4.026  17.467   5.457
  113   1HB   LEU  17          2HB       LEU  17   3.901  15.223   6.746
  114   2HB   LEU  17          1HB       LEU  17   4.764  14.560   5.372
  115    HG   LEU  17           HG       LEU  17   6.500  16.407   5.799
  116   1HD1  LEU  17          1HD1      LEU  17   4.752  16.641   8.199
  117   2HD1  LEU  17          2HD1      LEU  17   5.581  17.896   7.278
  118   3HD1  LEU  17          3HD1      LEU  17   6.492  16.863   8.380
  119   1HD2  LEU  17          1HD2      LEU  17   7.379  14.378   6.286
  120   2HD2  LEU  17          2HD2      LEU  17   6.018  13.910   7.307
  121   3HD2  LEU  17          3HD2      LEU  17   7.263  14.990   7.935
  122    H    GLY  18           H        GLY  18   6.035  17.670   4.308
  123   1HA   GLY  18          2HA       GLY  18   5.719  17.530   1.495
  124   2HA   GLY  18          1HA       GLY  18   7.192  17.963   2.343
  125    H    ILE  19           H        ILE  19   5.296  15.329   1.080
  126    HA   ILE  19           HA       ILE  19   7.746  13.722   0.886
  127    HB   ILE  19           HB       ILE  19   5.074  12.541   1.640
  128   1HG1  ILE  19          2HG1      ILE  19   7.469  13.067   3.414
  129   2HG1  ILE  19          1HG1      ILE  19   5.962  13.977   3.452
  130   1HG2  ILE  19          1HG2      ILE  19   6.054  10.507   1.580
  131   2HG2  ILE  19          2HG2      ILE  19   7.614  11.122   2.126
  132   3HG2  ILE  19          3HG2      ILE  19   7.135  11.310   0.440
  133   1HD1  ILE  19          1HD1      ILE  19   6.481  11.965   5.106
  134   2HD1  ILE  19          2HD1      ILE  19   5.760  11.050   3.782
  135   3HD1  ILE  19          3HD1      ILE  19   4.851  12.350   4.554
  136    H    CYS  20           H        CYS  20   7.995  13.987  -1.289
  137    HA   CYS  20           HA       CYS  20   5.923  12.771  -2.976
  138   1HB   CYS  20          2HB       CYS  20   6.237  15.453  -2.945
  139   2HB   CYS  20          1HB       CYS  20   7.426  15.027  -4.170
  140    H    LYS  21           H        LYS  21   7.483  10.964  -2.641
  141    HA   LYS  21           HA       LYS  21   9.281  10.837  -4.893
  142   1HB   LYS  21          2HB       LYS  21  10.392  11.707  -2.548
  143   2HB   LYS  21          1HB       LYS  21  10.667   9.973  -2.449
  144   1HG   LYS  21          2HG       LYS  21  11.354  11.373  -4.980
  145   2HG   LYS  21          1HG       LYS  21  12.411  11.579  -3.580
  146   1HD   LYS  21          2HD       LYS  21  12.993   9.339  -3.528
  147   2HD   LYS  21          1HD       LYS  21  11.544   8.838  -4.402
  148   1HE   LYS  21          2HE       LYS  21  12.677  10.362  -6.285
  149   2HE   LYS  21          1HE       LYS  21  14.129   9.856  -5.423
  150   1HZ   LYS  21          1HZ       LYS  21  12.217   7.756  -6.032
  151   2HZ   LYS  21          2HZ       LYS  21  13.907   7.740  -6.112
  152   3HZ   LYS  21          3HZ       LYS  21  13.008   8.435  -7.365
  153    H    THR  22           H        THR  22   8.809   8.956  -5.797
  154    HA   THR  22           HA       THR  22   7.380   6.887  -4.585
  155    HB   THR  22           HB       THR  22   7.442   7.144  -6.991
  156    HG1  THR  22           1HG      THR  22   7.530   5.032  -7.459
  157   1HG2  THR  22          1HG2      THR  22   9.748   7.907  -7.268
  158   2HG2  THR  22          2HG2      THR  22   9.362   6.555  -8.333
  159   3HG2  THR  22          3HG2      THR  22  10.323   6.287  -6.878
  160    H    LEU  23           H        LEU  23   8.470   4.498  -4.918
  161    HA   LEU  23           HA       LEU  23  11.150   4.320  -3.907
  162   1HB   LEU  23          2HB       LEU  23  10.233   2.931  -1.879
  163   2HB   LEU  23          1HB       LEU  23  10.422   4.671  -1.769
  164    HG   LEU  23           HG       LEU  23   7.780   3.805  -2.720
  165   1HD1  LEU  23          1HD1      LEU  23   7.970   2.027  -1.196
  166   2HD1  LEU  23          2HD1      LEU  23   7.083   3.286  -0.334
  167   3HD1  LEU  23          3HD1      LEU  23   8.796   3.029  -0.003
  168   1HD2  LEU  23          1HD2      LEU  23   8.231   5.506  -0.332
  169   2HD2  LEU  23          2HD2      LEU  23   7.077   5.689  -1.653
  170   3HD2  LEU  23          3HD2      LEU  23   8.770   6.123  -1.894
  171    H    CYS  24           H        CYS  24   8.059   2.608  -4.292
  172    HA   CYS  24           HA       CYS  24   9.552   0.201  -5.077
  173   1HB   CYS  24          2HB       CYS  24   7.414  -0.997  -4.746
  174   2HB   CYS  24          1HB       CYS  24   7.947  -0.167  -3.289
  175    H    ASN  25           H        ASN  25   8.647  -1.085  -6.864
  176    HA   ASN  25           HA       ASN  25   7.589   0.665  -8.986
  177   1HB   ASN  25          2HB       ASN  25   9.981  -0.590  -9.029
  178   2HB   ASN  25          1HB       ASN  25   8.971  -1.841  -9.747
  179   1HD2  ASN  25          1HD2      ASN  25   9.242   1.695  -9.952
  180   2HD2  ASN  25          2HD2      ASN  25   9.241   1.764 -11.678
  181    H    SER  26           H        SER  26   6.945  -2.064  -7.072
  182    HA   SER  26           HA       SER  26   4.395  -2.467  -8.046
  183   1HB   SER  26          2HB       SER  26   6.454  -3.864  -9.560
  184   2HB   SER  26          1HB       SER  26   5.257  -4.966  -8.887
  185    HG   SER  26           HG       SER  26   3.646  -3.583  -9.849
  186    H    ASP  27           H        ASP  27   3.689  -4.894  -7.451
  187    HA   ASP  27           HA       ASP  27   3.720  -5.090  -4.706
  188   1HB   ASP  27          2HB       ASP  27   2.347  -6.357  -6.595
  189   2HB   ASP  27          1HB       ASP  27   3.528  -7.613  -6.253
  190    H    SER  28           H        SER  28   5.679  -6.983  -6.993
  191    HA   SER  28           HA       SER  28   7.169  -8.339  -5.019
  192   1HB   SER  28          2HB       SER  28   8.761  -8.817  -6.899
  193   2HB   SER  28          1HB       SER  28   7.083  -9.221  -7.264
  194    HG   SER  28           HG       SER  28   8.487  -6.893  -8.080
  195    H    GLY  29           H        GLY  29   7.327  -5.126  -6.201
  196   1HA   GLY  29          2HA       GLY  29  10.092  -4.667  -5.636
  197   2HA   GLY  29          1HA       GLY  29   8.886  -3.440  -5.972
  198    H    CYS  30           H        CYS  30   7.096  -4.254  -3.891
  199    HA   CYS  30           HA       CYS  30   8.275  -2.811  -1.720
  200   1HB   CYS  30          2HB       CYS  30   5.613  -3.990  -2.288
  201   2HB   CYS  30          1HB       CYS  30   6.012  -3.626  -0.614
  202    HA   PRO  31           HA       PRO  31   9.798  -6.219   0.516
  203   1HB   PRO  31          2HB       PRO  31  10.325  -5.063   2.872
  204   2HB   PRO  31          1HB       PRO  31  11.219  -4.634   1.409
  205   1HG   PRO  31          2HG       PRO  31   8.982  -3.183   2.758
  206   2HG   PRO  31          1HG       PRO  31  10.446  -2.531   2.001
  207   1HD   PRO  31          2HD       PRO  31   7.952  -2.624   0.805
  208   2HD   PRO  31          1HD       PRO  31   9.490  -2.495  -0.068
  209    H    ASN  32           H        ASN  32   9.601  -7.105   2.906
  210    HA   ASN  32           HA       ASN  32   8.322  -8.395   4.265
  211   1HB   ASN  32          2HB       ASN  32   6.886  -5.744   4.380
  212   2HB   ASN  32          1HB       ASN  32   6.469  -7.101   5.422
  213   1HD2  ASN  32          1HD2      ASN  32   9.026  -4.873   4.533
  214   2HD2  ASN  32          2HD2      ASN  32   9.901  -4.990   6.018
  215    H    VAL  33           H        VAL  33   5.479  -6.588   3.262
  216    HA   VAL  33           HA       VAL  33   4.607  -8.532   1.351
  217    HB   VAL  33           HB       VAL  33   4.188  -9.763   3.458
  218   1HG1  VAL  33          1HG1      VAL  33   2.331  -8.946   4.923
  219   2HG1  VAL  33          2HG1      VAL  33   2.430  -7.399   4.083
  220   3HG1  VAL  33          3HG1      VAL  33   3.810  -7.990   5.007
  221   1HG2  VAL  33          1HG2      VAL  33   1.462  -9.086   2.528
  222   2HG2  VAL  33          2HG2      VAL  33   2.248 -10.655   2.695
  223   3HG2  VAL  33          3HG2      VAL  33   2.611  -9.630   1.306
  224    H    GLN  34           H        GLN  34   4.957  -5.625   1.712
  225    HA   GLN  34           HA       GLN  34   2.261  -4.559   1.676
  226   1HB   GLN  34          2HB       GLN  34   4.919  -3.187   1.286
  227   2HB   GLN  34          1HB       GLN  34   3.364  -2.387   1.470
  228   1HG   GLN  34          2HG       GLN  34   3.144  -3.377   3.704
  229   2HG   GLN  34          1HG       GLN  34   4.740  -4.094   3.519
  230   1HE2  GLN  34          1HE2      GLN  34   3.140  -0.942   3.231
  231   2HE2  GLN  34          2HE2      GLN  34   4.410  -0.036   3.973
  232    H    LYS  35           H        LYS  35   1.246  -3.640  -0.084
  233    HA   LYS  35           HA       LYS  35   2.165  -4.550  -2.670
  234   1HB   LYS  35          2HB       LYS  35  -0.382  -3.738  -1.440
  235   2HB   LYS  35          1HB       LYS  35  -0.183  -3.237  -3.107
  236   1HG   LYS  35          2HG       LYS  35  -1.330  -5.391  -2.912
  237   2HG   LYS  35          1HG       LYS  35   0.195  -5.528  -3.788
  238   1HD   LYS  35          2HD       LYS  35   1.209  -6.709  -2.115
  239   2HD   LYS  35          1HD       LYS  35   0.232  -5.963  -0.850
  240   1HE   LYS  35          2HE       LYS  35  -1.710  -7.270  -1.629
  241   2HE   LYS  35          1HE       LYS  35  -0.673  -8.054  -2.818
  242   1HZ   LYS  35          1HZ       LYS  35   0.435  -8.215  -0.198
  243   2HZ   LYS  35          2HZ       LYS  35   0.078  -9.457  -1.289
  244   3HZ   LYS  35          3HZ       LYS  35  -1.120  -8.882  -0.244
  245    H    CYS  36           H        CYS  36   2.418  -3.134  -4.457
  246    HA   CYS  36           HA       CYS  36   3.215  -0.436  -3.637
  247   1HB   CYS  36          2HB       CYS  36   4.841  -1.936  -4.854
  248   2HB   CYS  36          1HB       CYS  36   3.800  -1.811  -6.268
  249    H    CYS  37           H        CYS  37   1.544   0.923  -3.751
  250    HA   CYS  37           HA       CYS  37   0.103   1.106  -6.306
  251   1HB   CYS  37          2HB       CYS  37  -1.087   0.130  -4.080
  252   2HB   CYS  37          1HB       CYS  37  -1.407   1.846  -3.874
  253    H    LYS  38           H        LYS  38  -1.370   3.272  -6.006
  254    HA   LYS  38           HA       LYS  38   0.570   5.385  -5.331
  255   1HB   LYS  38          2HB       LYS  38  -0.073   5.126  -7.755
  256   2HB   LYS  38          1HB       LYS  38  -1.709   5.588  -7.303
  257   1HG   LYS  38          2HG       LYS  38  -0.676   7.706  -6.346
  258   2HG   LYS  38          1HG       LYS  38   0.789   7.246  -7.215
  259   1HD   LYS  38          2HD       LYS  38  -1.927   7.614  -8.479
  260   2HD   LYS  38          1HD       LYS  38  -0.639   8.821  -8.484
  261   1HE   LYS  38          2HE       LYS  38  -0.019   7.890 -10.421
  262   2HE   LYS  38          1HE       LYS  38   0.645   6.595  -9.426
  263   1HZ   LYS  38          1HZ       LYS  38  -2.054   6.643 -10.663
  264   2HZ   LYS  38          2HZ       LYS  38  -1.472   5.417  -9.654
  265   3HZ   LYS  38          3HZ       LYS  38  -0.744   5.692 -11.157
  266    H    ASN  39           H        ASN  39  -0.050   5.744  -3.219
  267    HA   ASN  39           HA       ASN  39  -2.638   7.079  -2.904
  268   1HB   ASN  39          2HB       ASN  39  -1.724   4.632  -1.510
  269   2HB   ASN  39          1HB       ASN  39  -2.463   5.865  -0.492
  270   1HD2  ASN  39          1HD2      ASN  39  -2.955   3.543  -2.998
  271   2HD2  ASN  39          2HD2      ASN  39  -4.680   3.640  -3.041
  272    H    GLY  40           H        GLY  40  -0.648   8.670  -3.227
  273   1HA   GLY  40          2HA       GLY  40  -0.262   9.895  -0.651
  274   2HA   GLY  40          1HA       GLY  40   1.223   9.249  -1.332
  275    H    CYS  41           H        CYS  41   2.355  10.511  -2.665
  276    HA   CYS  41           HA       CYS  41   1.141  13.042  -3.500
  277   1HB   CYS  41          2HB       CYS  41   3.355  12.894  -2.204
  278   2HB   CYS  41          1HB       CYS  41   4.060  12.333  -3.714
  279    H    GLY  42           H        GLY  42   0.710  10.413  -4.853
  280   1HA   GLY  42          2HA       GLY  42   0.233   9.951  -7.083
  281   2HA   GLY  42          1HA       GLY  42   1.143  11.380  -7.547
  282    H    PHE  43           H        PHE  43   2.552   9.001  -5.434
  283    HA   PHE  43           HA       PHE  43   4.281   8.134  -7.658
  284   1HB   PHE  43          2HB       PHE  43   5.971   7.676  -5.780
  285   2HB   PHE  43          1HB       PHE  43   5.683   9.353  -6.219
  286    HD1  PHE  43           1HD      PHE  43   5.986  10.638  -4.346
  287    HD2  PHE  43           2HD      PHE  43   3.787   7.009  -4.006
  288    HE1  PHE  43           1HE      PHE  43   5.482  11.162  -1.998
  289    HE2  PHE  43           2HE      PHE  43   3.277   7.532  -1.661
  290    HZ   PHE  43           HZ       PHE  43   4.124   9.611  -0.653
  291    H    MET  44           H        MET  44   5.550   6.027  -6.724
  292    HA   MET  44           HA       MET  44   3.401   4.115  -6.127
  293   1HB   MET  44          2HB       MET  44   5.762   4.060  -7.863
  294   2HB   MET  44          1HB       MET  44   5.588   2.614  -6.880
  295   1HG   MET  44          2HG       MET  44   3.759   1.914  -7.988
  296   2HG   MET  44          1HG       MET  44   3.146   3.548  -8.234
  297   1HE   MET  44          1HE       MET  44   2.516   3.390 -10.977
  298   2HE   MET  44          2HE       MET  44   2.545   1.761 -10.304
  299   3HE   MET  44          3HE       MET  44   3.350   2.096 -11.837
  300    H    THR  45           H        THR  45   3.345   4.151  -3.909
  301    HA   THR  45           HA       THR  45   5.842   3.436  -2.517
  302    HB   THR  45           HB       THR  45   5.012   5.575  -1.766
  303    HG1  THR  45           1HG      THR  45   4.744   5.087   0.426
  304   1HG2  THR  45          1HG2      THR  45   2.733   5.625  -2.303
  305   2HG2  THR  45          2HG2      THR  45   2.803   5.656  -0.540
  306   3HG2  THR  45          3HG2      THR  45   2.400   4.158  -1.381
  307    H    CYS  46           H        CYS  46   5.237   2.331  -0.295
  308    HA   CYS  46           HA       CYS  46   3.767  -0.066  -1.025
  309   1HB   CYS  46          2HB       CYS  46   5.477   0.573   1.379
  310   2HB   CYS  46          1HB       CYS  46   4.700  -0.977   1.097
  311    H    THR  47           H        THR  47   2.010  -0.845   0.014
  312    HA   THR  47           HA       THR  47   0.821   0.727   2.179
  313    HB   THR  47           HB       THR  47  -0.136   1.557   0.054
  314    HG1  THR  47           1HG      THR  47  -2.233   1.438   0.744
  315   1HG2  THR  47          1HG2      THR  47  -1.873  -0.648  -0.510
  316   2HG2  THR  47          2HG2      THR  47  -0.187  -1.130  -0.703
  317   3HG2  THR  47          3HG2      THR  47  -0.816   0.256  -1.595
  318    H    THR  48           H        THR  48  -1.332  -0.469   2.860
  319    HA   THR  48           HA       THR  48  -0.525  -3.120   3.615
  320    HB   THR  48           HB       THR  48  -3.161  -1.753   4.119
  321    HG1  THR  48           1HG      THR  48  -0.746  -1.685   5.591
  322   1HG2  THR  48          1HG2      THR  48  -2.856  -4.271   4.584
  323   2HG2  THR  48          2HG2      THR  48  -3.558  -3.241   5.832
  324   3HG2  THR  48          3HG2      THR  48  -1.865  -3.727   5.938
  325    HA   PRO  49           HA       PRO  49  -2.532  -5.166   0.212
  326   1HB   PRO  49          2HB       PRO  49  -2.448  -7.700   1.158
  327   2HB   PRO  49          1HB       PRO  49  -1.016  -6.865   0.546
  328   1HG   PRO  49          2HG       PRO  49  -1.907  -7.266   3.376
  329   2HG   PRO  49          1HG       PRO  49  -0.284  -7.426   2.682
  330   1HD   PRO  49          2HD       PRO  49  -1.084  -5.224   4.047
  331   2HD   PRO  49          1HD       PRO  49   0.093  -5.154   2.720
  332    H    VAL  50           H        VAL  50  -4.630  -5.349  -0.261
  333    HA   VAL  50           HA       VAL  50  -6.514  -5.878   1.934
  334    HB   VAL  50           HB       VAL  50  -6.821  -3.721   0.808
  335   1HG1  VAL  50          1HG1      VAL  50  -7.635  -3.681  -1.533
  336   2HG1  VAL  50          2HG1      VAL  50  -7.253  -5.397  -1.659
  337   3HG1  VAL  50          3HG1      VAL  50  -5.965  -4.226  -1.380
  338   1HG2  VAL  50          1HG2      VAL  50  -8.781  -4.713   1.751
  339   2HG2  VAL  50          2HG2      VAL  50  -9.000  -5.750   0.341
  340   3HG2  VAL  50          3HG2      VAL  50  -9.227  -4.007   0.198
  341    HA   PRO  51           HA       PRO  51  -7.442  -9.785   0.028
  342   1HB   PRO  51          2HB       PRO  51  -9.769 -10.330   1.307
  343   2HB   PRO  51          1HB       PRO  51  -8.193 -10.454   2.097
  344   1HG   PRO  51          2HG       PRO  51 -10.203  -8.239   2.220
  345   2HG   PRO  51          1HG       PRO  51  -9.254  -8.962   3.533
  346   1HD   PRO  51          2HD       PRO  51  -8.578  -6.613   2.363
  347   2HD   PRO  51          1HD       PRO  51  -7.370  -7.742   3.011
  Start of MODEL    2
    1   1H    ASN   1          1HT       ASN   1   3.555 -12.826 -10.106
    2   2H    ASN   1          2HT       ASN   1   3.348 -12.539 -11.785
    3   3H    ASN   1          3HT       ASN   1   2.114 -13.323 -10.887
    4    HA   ASN   1           HA       ASN   1   3.043 -10.572 -10.420
    5   1HB   ASN   1          2HB       ASN   1   1.686 -11.454 -12.620
    6   2HB   ASN   1          1HB       ASN   1   0.357 -11.077 -11.529
    7   1HD2  ASN   1          1HD2      ASN   1   1.223  -9.783 -14.012
    8   2HD2  ASN   1          2HD2      ASN   1   1.497  -8.127 -13.606
    9    H    GLU   2           H        GLU   2   1.634  -9.396  -9.009
   10    HA   GLU   2           HA       GLU   2   0.426  -9.104  -7.105
   11   1HB   GLU   2          2HB       GLU   2  -0.986 -11.476  -8.299
   12   2HB   GLU   2          1HB       GLU   2  -1.480 -10.805  -6.752
   13   1HG   GLU   2          2HG       GLU   2  -1.276  -8.620  -8.479
   14   2HG   GLU   2          1HG       GLU   2  -2.059  -9.894  -9.413
   15    H    LYS   3           H        LYS   3   0.351  -9.742  -4.927
   16    HA   LYS   3           HA       LYS   3   2.151 -11.974  -4.302
   17   1HB   LYS   3          2HB       LYS   3   2.066  -9.332  -3.399
   18   2HB   LYS   3          1HB       LYS   3   1.452 -10.278  -2.053
   19   1HG   LYS   3          2HG       LYS   3   3.483 -11.719  -2.241
   20   2HG   LYS   3          1HG       LYS   3   4.107 -10.579  -3.434
   21   1HD   LYS   3          2HD       LYS   3   3.161  -9.360  -0.934
   22   2HD   LYS   3          1HD       LYS   3   4.560 -10.420  -0.758
   23   1HE   LYS   3          2HE       LYS   3   4.945  -8.782  -3.057
   24   2HE   LYS   3          1HE       LYS   3   4.472  -7.751  -1.709
   25   1HZ   LYS   3          1HZ       LYS   3   6.250  -8.733  -0.390
   26   2HZ   LYS   3          2HZ       LYS   3   6.863  -8.022  -1.797
   27   3HZ   LYS   3          3HZ       LYS   3   6.709  -9.704  -1.696
   28    H    SER   4           H        SER   4  -0.830 -10.450  -3.076
   29    HA   SER   4           HA       SER   4  -1.973 -13.066  -2.582
   30   1HB   SER   4          2HB       SER   4  -1.000 -11.293  -0.411
   31   2HB   SER   4          1HB       SER   4  -2.584 -12.030  -0.171
   32    HG   SER   4           HG       SER   4  -1.429 -13.669   0.474
   33    H    GLY   5           H        GLY   5  -2.636  -9.784  -1.345
   34   1HA   GLY   5          2HA       GLY   5  -5.386 -10.035  -2.283
   35   2HA   GLY   5          1HA       GLY   5  -4.761  -8.796  -1.208
   36    H    SER   6           H        SER   6  -5.201  -6.932  -2.158
   37    HA   SER   6           HA       SER   6  -3.981  -6.360  -4.724
   38   1HB   SER   6          2HB       SER   6  -6.739  -5.345  -4.597
   39   2HB   SER   6          1HB       SER   6  -5.861  -6.060  -5.949
   40    HG   SER   6           HG       SER   6  -7.553  -7.414  -5.321
   41    H    CYS   7           H        CYS   7  -5.163  -3.892  -5.168
   42    HA   CYS   7           HA       CYS   7  -3.855  -2.314  -3.138
   43   1HB   CYS   7          2HB       CYS   7  -3.564  -1.752  -5.503
   44   2HB   CYS   7          1HB       CYS   7  -5.295  -1.478  -5.662
   45    HA   PRO   8           HA       PRO   8  -7.593  -1.615  -0.799
   46   1HB   PRO   8          2HB       PRO   8  -6.171   0.707   0.326
   47   2HB   PRO   8          1HB       PRO   8  -6.798  -0.727   1.141
   48   1HG   PRO   8          2HG       PRO   8  -4.165  -0.337   0.808
   49   2HG   PRO   8          1HG       PRO   8  -4.886  -1.956   0.741
   50   1HD   PRO   8          2HD       PRO   8  -4.013  -0.175  -1.503
   51   2HD   PRO   8          1HD       PRO   8  -3.813  -1.930  -1.312
   52    H    ASP   9           H        ASP   9  -9.340  -0.225  -0.823
   53    HA   ASP   9           HA       ASP   9 -10.761   1.321  -1.702
   54   1HB   ASP   9          2HB       ASP   9  -8.276   2.816  -1.075
   55   2HB   ASP   9          1HB       ASP   9  -9.452   3.637  -2.097
   56    H    MET  10           H        MET  10 -10.756   3.207  -3.542
   57    HA   MET  10           HA       MET  10  -9.346   2.213  -5.906
   58   1HB   MET  10          2HB       MET  10 -11.908   1.431  -5.472
   59   2HB   MET  10          1HB       MET  10 -12.177   2.923  -6.362
   60   1HG   MET  10          2HG       MET  10 -11.966   1.670  -8.184
   61   2HG   MET  10          1HG       MET  10 -10.236   1.712  -7.851
   62   1HE   MET  10          1HE       MET  10 -13.067  -0.822  -8.684
   63   2HE   MET  10          2HE       MET  10 -13.540   0.000  -7.197
   64   3HE   MET  10          3HE       MET  10 -13.164  -1.723  -7.172
   65    H    SER  11           H        SER  11 -11.945   4.557  -5.225
   66    HA   SER  11           HA       SER  11 -11.322   6.485  -7.003
   67   1HB   SER  11          2HB       SER  11 -12.110   7.310  -4.232
   68   2HB   SER  11          1HB       SER  11 -12.667   7.944  -5.781
   69    HG   SER  11           HG       SER  11 -13.800   5.991  -6.092
   70    H    MET  12           H        MET  12 -10.415   8.721  -6.556
   71    HA   MET  12           HA       MET  12  -8.002   8.572  -4.881
   72   1HB   MET  12          2HB       MET  12  -8.239   9.233  -7.778
   73   2HB   MET  12          1HB       MET  12  -7.061  10.125  -6.824
   74   1HG   MET  12          2HG       MET  12  -6.042   8.000  -6.130
   75   2HG   MET  12          1HG       MET  12  -7.198   7.135  -7.140
   76   1HE   MET  12          1HE       MET  12  -3.186   8.431  -8.183
   77   2HE   MET  12          2HE       MET  12  -4.016   8.417  -6.627
   78   3HE   MET  12          3HE       MET  12  -4.022   9.877  -7.619
   79    HA   PRO  13           HA       PRO  13 -10.659  12.313  -3.903
   80   1HB   PRO  13          2HB       PRO  13  -9.589  11.641  -1.221
   81   2HB   PRO  13          1HB       PRO  13 -11.237  12.055  -1.703
   82   1HG   PRO  13          2HG       PRO  13 -10.578   9.544  -1.087
   83   2HG   PRO  13          1HG       PRO  13 -11.715   9.898  -2.401
   84   1HD   PRO  13          2HD       PRO  13  -8.834   9.109  -2.547
   85   2HD   PRO  13          1HD       PRO  13 -10.192   8.624  -3.585
   86    H    ILE  14           H        ILE  14  -7.380  11.350  -3.391
   87    HA   ILE  14           HA       ILE  14  -6.411  13.805  -2.335
   88    HB   ILE  14           HB       ILE  14  -4.820  11.754  -3.872
   89   1HG1  ILE  14          2HG1      ILE  14  -6.048  10.635  -2.086
   90   2HG1  ILE  14          1HG1      ILE  14  -4.340  10.734  -1.671
   91   1HG2  ILE  14          1HG2      ILE  14  -2.916  12.652  -2.878
   92   2HG2  ILE  14          2HG2      ILE  14  -3.843  13.488  -1.633
   93   3HG2  ILE  14          3HG2      ILE  14  -3.874  14.073  -3.296
   94   1HD1  ILE  14          1HD1      ILE  14  -4.954  11.593   0.271
   95   2HD1  ILE  14          2HD1      ILE  14  -6.630  11.738  -0.260
   96   3HD1  ILE  14          3HD1      ILE  14  -5.483  13.034  -0.597
   97    HA   PRO  15           HA       PRO  15  -6.395  16.071  -6.172
   98   1HB   PRO  15          2HB       PRO  15  -5.181  18.308  -5.313
   99   2HB   PRO  15          1HB       PRO  15  -6.827  17.894  -4.818
  100   1HG   PRO  15          2HG       PRO  15  -4.256  17.546  -3.327
  101   2HG   PRO  15          1HG       PRO  15  -5.824  18.119  -2.733
  102   1HD   PRO  15          2HD       PRO  15  -4.909  15.558  -2.395
  103   2HD   PRO  15          1HD       PRO  15  -6.628  15.994  -2.447
  104    HA   PRO  16           HA       PRO  16  -2.509  15.131  -8.097
  105   1HB   PRO  16          2HB       PRO  16  -2.966  17.629  -9.644
  106   2HB   PRO  16          1HB       PRO  16  -2.656  15.989 -10.221
  107   1HG   PRO  16          2HG       PRO  16  -5.098  17.043 -10.362
  108   2HG   PRO  16          1HG       PRO  16  -4.863  15.334  -9.949
  109   1HD   PRO  16          2HD       PRO  16  -5.538  17.641  -8.173
  110   2HD   PRO  16          1HD       PRO  16  -6.108  15.959  -8.108
  111    H    LEU  17           H        LEU  17  -3.190  18.359  -6.893
  112    HA   LEU  17           HA       LEU  17  -0.509  19.310  -7.023
  113   1HB   LEU  17          2HB       LEU  17  -2.784  20.593  -6.781
  114   2HB   LEU  17          1HB       LEU  17  -2.505  20.369  -5.065
  115    HG   LEU  17           HG       LEU  17  -0.087  21.369  -5.995
  116   1HD1  LEU  17          1HD1      LEU  17  -2.392  22.680  -7.412
  117   2HD1  LEU  17          2HD1      LEU  17  -0.920  22.009  -8.115
  118   3HD1  LEU  17          3HD1      LEU  17  -0.843  23.479  -7.143
  119   1HD2  LEU  17          1HD2      LEU  17  -0.671  22.236  -3.990
  120   2HD2  LEU  17          2HD2      LEU  17  -2.381  22.342  -4.410
  121   3HD2  LEU  17          3HD2      LEU  17  -1.253  23.565  -4.993
  122    H    GLY  18           H        GLY  18   0.552  17.417  -6.077
  123   1HA   GLY  18          2HA       GLY  18   1.757  17.688  -3.741
  124   2HA   GLY  18          1HA       GLY  18   0.203  17.074  -3.197
  125    H    ILE  19           H        ILE  19   3.264  16.290  -4.482
  126    HA   ILE  19           HA       ILE  19   2.689  13.465  -4.191
  127    HB   ILE  19           HB       ILE  19   3.936  14.385  -6.773
  128   1HG1  ILE  19          2HG1      ILE  19   1.052  13.616  -6.266
  129   2HG1  ILE  19          1HG1      ILE  19   1.631  15.219  -6.711
  130   1HG2  ILE  19          1HG2      ILE  19   4.560  12.184  -6.379
  131   2HG2  ILE  19          2HG2      ILE  19   3.127  12.012  -7.393
  132   3HG2  ILE  19          3HG2      ILE  19   3.009  11.770  -5.650
  133   1HD1  ILE  19          1HD1      ILE  19   1.073  12.897  -8.374
  134   2HD1  ILE  19          2HD1      ILE  19   2.629  13.653  -8.719
  135   3HD1  ILE  19          3HD1      ILE  19   1.149  14.608  -8.795
  136    H    CYS  20           H        CYS  20   4.207  12.994  -2.742
  137    HA   CYS  20           HA       CYS  20   6.642  14.293  -2.382
  138   1HB   CYS  20          2HB       CYS  20   5.668  11.561  -1.582
  139   2HB   CYS  20          1HB       CYS  20   7.287  12.114  -1.169
  140    H    LYS  21           H        LYS  21   6.590  10.869  -3.298
  141    HA   LYS  21           HA       LYS  21   7.850  11.087  -5.777
  142   1HB   LYS  21          2HB       LYS  21   9.602  11.692  -3.652
  143   2HB   LYS  21          1HB       LYS  21  10.041  10.080  -4.200
  144   1HG   LYS  21          2HG       LYS  21   9.877  11.252  -6.572
  145   2HG   LYS  21          1HG       LYS  21  10.232  12.682  -5.601
  146   1HD   LYS  21          2HD       LYS  21  11.887  10.283  -5.090
  147   2HD   LYS  21          1HD       LYS  21  12.135  11.102  -6.634
  148   1HE   LYS  21          2HE       LYS  21  12.420  13.234  -5.372
  149   2HE   LYS  21          1HE       LYS  21  12.347  12.304  -3.877
  150   1HZ   LYS  21          1HZ       LYS  21  14.627  12.861  -4.892
  151   2HZ   LYS  21          2HZ       LYS  21  14.298  11.600  -5.969
  152   3HZ   LYS  21          3HZ       LYS  21  14.362  11.295  -4.307
  153    H    THR  22           H        THR  22   8.964   8.963  -6.398
  154    HA   THR  22           HA       THR  22   7.232   6.817  -5.562
  155    HB   THR  22           HB       THR  22   7.727   6.955  -7.898
  156    HG1  THR  22           1HG      THR  22   8.321   4.892  -8.229
  157   1HG2  THR  22          1HG2      THR  22  10.062   6.526  -8.721
  158   2HG2  THR  22          2HG2      THR  22  10.614   6.900  -7.088
  159   3HG2  THR  22          3HG2      THR  22   9.765   8.123  -8.034
  160    H    LEU  23           H        LEU  23   8.396   4.573  -5.378
  161    HA   LEU  23           HA       LEU  23  10.893   4.597  -3.963
  162   1HB   LEU  23          2HB       LEU  23   8.485   4.843  -2.507
  163   2HB   LEU  23          1HB       LEU  23   9.145   3.253  -2.198
  164    HG   LEU  23           HG       LEU  23  11.191   5.301  -2.023
  165   1HD1  LEU  23          1HD1      LEU  23   9.822   6.898  -1.165
  166   2HD1  LEU  23          2HD1      LEU  23  10.121   5.978   0.310
  167   3HD1  LEU  23          3HD1      LEU  23   8.628   5.729  -0.597
  168   1HD2  LEU  23          1HD2      LEU  23  10.180   3.520   0.170
  169   2HD2  LEU  23          2HD2      LEU  23  11.814   4.129  -0.099
  170   3HD2  LEU  23          3HD2      LEU  23  11.147   2.890  -1.164
  171    H    CYS  24           H        CYS  24   7.946   2.698  -4.520
  172    HA   CYS  24           HA       CYS  24   9.626   0.341  -5.025
  173   1HB   CYS  24          2HB       CYS  24   7.430  -0.909  -4.788
  174   2HB   CYS  24          1HB       CYS  24   8.042  -0.142  -3.328
  175    H    ASN  25           H        ASN  25   9.047  -1.062  -6.802
  176    HA   ASN  25           HA       ASN  25   8.045   0.469  -9.094
  177   1HB   ASN  25          2HB       ASN  25  10.027  -1.721  -8.764
  178   2HB   ASN  25          1HB       ASN  25   9.106  -1.688 -10.264
  179   1HD2  ASN  25          1HD2      ASN  25  10.296  -0.828 -11.795
  180   2HD2  ASN  25          2HD2      ASN  25  11.281   0.584 -11.650
  181    H    SER  26           H        SER  26   7.314  -2.202  -7.059
  182    HA   SER  26           HA       SER  26   4.726  -2.524  -7.951
  183   1HB   SER  26          2HB       SER  26   5.624  -3.422 -10.023
  184   2HB   SER  26          1HB       SER  26   6.631  -4.559  -9.126
  185    HG   SER  26           HG       SER  26   4.799  -5.631  -9.811
  186    H    ASP  27           H        ASP  27   3.932  -4.903  -7.306
  187    HA   ASP  27           HA       ASP  27   4.119  -5.109  -4.569
  188   1HB   ASP  27          2HB       ASP  27   2.578  -6.302  -6.380
  189   2HB   ASP  27          1HB       ASP  27   3.708  -7.618  -6.094
  190    H    SER  28           H        SER  28   6.095  -6.667  -7.028
  191    HA   SER  28           HA       SER  28   7.527  -8.341  -5.223
  192   1HB   SER  28          2HB       SER  28   9.112  -8.620  -7.129
  193   2HB   SER  28          1HB       SER  28   7.432  -8.913  -7.579
  194    HG   SER  28           HG       SER  28   7.386  -7.050  -8.689
  195    H    GLY  29           H        GLY  29   7.729  -5.013  -6.072
  196   1HA   GLY  29          2HA       GLY  29  10.478  -4.688  -5.291
  197   2HA   GLY  29          1HA       GLY  29   9.360  -3.407  -5.714
  198    H    CYS  30           H        CYS  30   7.357  -4.378  -3.803
  199    HA   CYS  30           HA       CYS  30   8.325  -2.952  -1.510
  200   1HB   CYS  30          2HB       CYS  30   5.720  -4.241  -2.200
  201   2HB   CYS  30          1HB       CYS  30   6.015  -3.594  -0.592
  202    HA   PRO  31           HA       PRO  31   9.664  -6.405   0.770
  203   1HB   PRO  31          2HB       PRO  31   9.927  -5.313   3.206
  204   2HB   PRO  31          1HB       PRO  31  10.972  -4.852   1.858
  205   1HG   PRO  31          2HG       PRO  31   8.606  -3.428   2.996
  206   2HG   PRO  31          1HG       PRO  31  10.140  -2.762   2.411
  207   1HD   PRO  31          2HD       PRO  31   7.785  -2.815   0.960
  208   2HD   PRO  31          1HD       PRO  31   9.407  -2.683   0.252
  209    H    ASN  32           H        ASN  32   9.245  -7.415   3.056
  210    HA   ASN  32           HA       ASN  32   7.842  -8.791   4.200
  211   1HB   ASN  32          2HB       ASN  32   6.471  -6.115   4.431
  212   2HB   ASN  32          1HB       ASN  32   5.940  -7.534   5.326
  213   1HD2  ASN  32          1HD2      ASN  32   8.564  -5.274   4.843
  214   2HD2  ASN  32          2HD2      ASN  32   9.346  -5.562   6.357
  215    H    VAL  33           H        VAL  33   5.097  -6.849   3.192
  216    HA   VAL  33           HA       VAL  33   4.316  -8.629   1.079
  217    HB   VAL  33           HB       VAL  33   3.700  -9.968   3.066
  218   1HG1  VAL  33          1HG1      VAL  33   2.194  -9.263   4.696
  219   2HG1  VAL  33          2HG1      VAL  33   1.620  -7.911   3.719
  220   3HG1  VAL  33          3HG1      VAL  33   3.225  -7.853   4.448
  221   1HG2  VAL  33          1HG2      VAL  33   1.711 -10.694   2.186
  222   2HG2  VAL  33          2HG2      VAL  33   2.329  -9.743   0.836
  223   3HG2  VAL  33          3HG2      VAL  33   1.109  -9.060   1.911
  224    H    GLN  34           H        GLN  34   4.715  -5.746   1.748
  225    HA   GLN  34           HA       GLN  34   2.105  -4.554   1.608
  226   1HB   GLN  34          2HB       GLN  34   4.904  -3.494   1.578
  227   2HB   GLN  34          1HB       GLN  34   3.519  -2.454   1.278
  228   1HG   GLN  34          2HG       GLN  34   2.617  -3.511   3.477
  229   2HG   GLN  34          1HG       GLN  34   4.313  -3.870   3.761
  230   1HE2  GLN  34          1HE2      GLN  34   5.402  -1.590   2.527
  231   2HE2  GLN  34          2HE2      GLN  34   5.010  -0.217   3.493
  232    H    LYS  35           H        LYS  35   1.122  -3.645  -0.158
  233    HA   LYS  35           HA       LYS  35   2.129  -4.450  -2.744
  234   1HB   LYS  35          2HB       LYS  35  -0.462  -3.709  -1.564
  235   2HB   LYS  35          1HB       LYS  35  -0.219  -3.140  -3.205
  236   1HG   LYS  35          2HG       LYS  35  -1.347  -5.304  -3.143
  237   2HG   LYS  35          1HG       LYS  35   0.217  -5.407  -3.956
  238   1HD   LYS  35          2HD       LYS  35   1.138  -6.684  -2.314
  239   2HD   LYS  35          1HD       LYS  35   0.174  -5.934  -1.041
  240   1HE   LYS  35          2HE       LYS  35  -1.809  -7.154  -1.910
  241   2HE   LYS  35          1HE       LYS  35  -0.746  -7.983  -3.044
  242   1HZ   LYS  35          1HZ       LYS  35  -0.240  -9.440  -1.475
  243   2HZ   LYS  35          2HZ       LYS  35  -1.300  -8.675  -0.404
  244   3HZ   LYS  35          3HZ       LYS  35   0.326  -8.213  -0.456
  245    H    CYS  36           H        CYS  36   2.416  -2.987  -4.475
  246    HA   CYS  36           HA       CYS  36   3.168  -0.300  -3.580
  247   1HB   CYS  36          2HB       CYS  36   4.841  -1.756  -4.777
  248   2HB   CYS  36          1HB       CYS  36   3.833  -1.629  -6.215
  249    H    CYS  37           H        CYS  37   1.374   0.937  -3.649
  250    HA   CYS  37           HA       CYS  37   0.010   1.167  -6.250
  251   1HB   CYS  37          2HB       CYS  37  -1.181   0.181  -4.014
  252   2HB   CYS  37          1HB       CYS  37  -1.549   1.893  -3.850
  253    H    LYS  38           H        LYS  38  -1.504   3.306  -5.946
  254    HA   LYS  38           HA       LYS  38   0.438   5.450  -5.446
  255   1HB   LYS  38          2HB       LYS  38  -0.468   5.368  -7.708
  256   2HB   LYS  38          1HB       LYS  38  -2.108   5.432  -7.078
  257   1HG   LYS  38          2HG       LYS  38  -2.024   7.658  -6.691
  258   2HG   LYS  38          1HG       LYS  38  -0.304   7.636  -6.296
  259   1HD   LYS  38          2HD       LYS  38   0.272   7.457  -8.635
  260   2HD   LYS  38          1HD       LYS  38  -1.432   7.326  -9.077
  261   1HE   LYS  38          2HE       LYS  38  -1.612   9.620  -7.822
  262   2HE   LYS  38          1HE       LYS  38   0.117   9.704  -8.158
  263   1HZ   LYS  38          1HZ       LYS  38  -1.393  10.734  -9.861
  264   2HZ   LYS  38          2HZ       LYS  38  -1.890   9.169 -10.269
  265   3HZ   LYS  38          3HZ       LYS  38  -0.271   9.619 -10.462
  266    H    ASN  39           H        ASN  39   0.260   6.176  -3.414
  267    HA   ASN  39           HA       ASN  39  -1.975   7.652  -2.580
  268   1HB   ASN  39          2HB       ASN  39  -2.763   6.247  -0.706
  269   2HB   ASN  39          1HB       ASN  39  -3.050   5.485  -2.268
  270   1HD2  ASN  39          1HD2      ASN  39  -2.197   4.825   0.754
  271   2HD2  ASN  39          2HD2      ASN  39  -1.166   3.461   0.510
  272    H    GLY  40           H        GLY  40  -1.809   8.041  -0.054
  273   1HA   GLY  40          2HA       GLY  40  -0.510   8.612   1.777
  274   2HA   GLY  40          1HA       GLY  40   0.843   7.769   1.037
  275    H    CYS  41           H        CYS  41   1.537   8.972  -1.124
  276    HA   CYS  41           HA       CYS  41   1.327  11.821  -1.081
  277   1HB   CYS  41          2HB       CYS  41   3.036  11.067   0.786
  278   2HB   CYS  41          1HB       CYS  41   4.124  10.889  -0.585
  279    H    GLY  42           H        GLY  42   3.893   9.506  -1.989
  280   1HA   GLY  42          2HA       GLY  42   4.276  10.686  -4.546
  281   2HA   GLY  42          1HA       GLY  42   4.923   9.141  -4.013
  282    H    PHE  43           H        PHE  43   4.496   8.342  -6.148
  283    HA   PHE  43           HA       PHE  43   1.646   7.744  -6.592
  284   1HB   PHE  43          2HB       PHE  43   2.217   7.552  -9.014
  285   2HB   PHE  43          1HB       PHE  43   2.422   9.174  -8.361
  286    HD1  PHE  43           1HD      PHE  43   4.793   9.866  -7.670
  287    HD2  PHE  43           2HD      PHE  43   3.947   6.514 -10.151
  288    HE1  PHE  43           1HE      PHE  43   7.102   9.915  -8.517
  289    HE2  PHE  43           2HE      PHE  43   6.256   6.556 -11.001
  290    HZ   PHE  43           HZ       PHE  43   7.837   8.258 -10.184
  291    H    MET  44           H        MET  44   4.643   6.417  -5.831
  292    HA   MET  44           HA       MET  44   3.604   3.732  -6.338
  293   1HB   MET  44          2HB       MET  44   6.360   4.665  -7.158
  294   2HB   MET  44          1HB       MET  44   5.831   2.989  -7.155
  295   1HG   MET  44          2HG       MET  44   3.914   4.405  -8.630
  296   2HG   MET  44          1HG       MET  44   5.485   5.007  -9.156
  297   1HE   MET  44          1HE       MET  44   3.462   1.082  -9.833
  298   2HE   MET  44          2HE       MET  44   3.178   2.235  -8.529
  299   3HE   MET  44          3HE       MET  44   4.370   0.951  -8.326
  300    H    THR  45           H        THR  45   3.248   4.065  -3.988
  301    HA   THR  45           HA       THR  45   5.709   3.550  -2.449
  302    HB   THR  45           HB       THR  45   4.675   4.577  -0.535
  303    HG1  THR  45           1HG      THR  45   2.369   4.712  -2.170
  304   1HG2  THR  45          1HG2      THR  45   4.447   6.189  -3.042
  305   2HG2  THR  45          2HG2      THR  45   5.652   6.288  -1.758
  306   3HG2  THR  45          3HG2      THR  45   4.009   6.863  -1.472
  307    H    CYS  46           H        CYS  46   5.280   2.275  -0.400
  308    HA   CYS  46           HA       CYS  46   3.676  -0.055  -1.117
  309   1HB   CYS  46          2HB       CYS  46   5.669   0.299   1.125
  310   2HB   CYS  46          1HB       CYS  46   4.896  -1.210   0.661
  311    H    THR  47           H        THR  47   1.993  -0.799   0.039
  312    HA   THR  47           HA       THR  47   1.246   0.546   2.525
  313    HB   THR  47           HB       THR  47   0.082   1.715   0.678
  314    HG1  THR  47           1HG      THR  47  -1.955   1.575   1.615
  315   1HG2  THR  47          1HG2      THR  47  -1.866   0.461  -0.355
  316   2HG2  THR  47          2HG2      THR  47  -1.011  -1.013   0.100
  317   3HG2  THR  47          3HG2      THR  47  -0.261   0.135  -1.008
  318    H    THR  48           H        THR  48  -0.963  -0.587   3.276
  319    HA   THR  48           HA       THR  48  -0.258  -3.325   3.709
  320    HB   THR  48           HB       THR  48  -2.814  -1.916   4.453
  321    HG1  THR  48           1HG      THR  48  -1.817  -1.254   6.264
  322   1HG2  THR  48          1HG2      THR  48  -3.228  -3.552   6.008
  323   2HG2  THR  48          2HG2      THR  48  -1.550  -4.096   6.036
  324   3HG2  THR  48          3HG2      THR  48  -2.582  -4.485   4.659
  325    HA   PRO  49           HA       PRO  49  -2.505  -4.979   0.246
  326   1HB   PRO  49          2HB       PRO  49  -2.458  -7.590   0.928
  327   2HB   PRO  49          1HB       PRO  49  -1.016  -6.735   0.364
  328   1HG   PRO  49          2HG       PRO  49  -1.851  -7.401   3.163
  329   2HG   PRO  49          1HG       PRO  49  -0.250  -7.537   2.412
  330   1HD   PRO  49          2HD       PRO  49  -0.962  -5.458   4.014
  331   2HD   PRO  49          1HD       PRO  49   0.207  -5.299   2.688
  332    H    VAL  50           H        VAL  50  -4.609  -5.331  -0.224
  333    HA   VAL  50           HA       VAL  50  -6.427  -5.841   2.035
  334    HB   VAL  50           HB       VAL  50  -6.749  -3.671   0.908
  335   1HG1  VAL  50          1HG1      VAL  50  -7.986  -4.767  -1.492
  336   2HG1  VAL  50          2HG1      VAL  50  -6.248  -5.052  -1.413
  337   3HG1  VAL  50          3HG1      VAL  50  -6.878  -3.408  -1.306
  338   1HG2  VAL  50          1HG2      VAL  50  -8.736  -4.205   1.855
  339   2HG2  VAL  50          2HG2      VAL  50  -8.832  -5.763   1.037
  340   3HG2  VAL  50          3HG2      VAL  50  -9.248  -4.286   0.169
  341    HA   PRO  51           HA       PRO  51  -6.991  -9.914   0.198
  342   1HB   PRO  51          2HB       PRO  51  -9.429  -9.755   1.908
  343   2HB   PRO  51          1HB       PRO  51  -8.230 -11.046   1.776
  344   1HG   PRO  51          2HG       PRO  51  -8.232  -9.411   3.875
  345   2HG   PRO  51          1HG       PRO  51  -6.709  -9.953   3.147
  346   1HD   PRO  51          2HD       PRO  51  -8.077  -7.310   2.939
  347   2HD   PRO  51          1HD       PRO  51  -6.342  -7.684   2.993
  Start of MODEL    3
    1   1H    ASN   1          1HT       ASN   1   4.797  -9.644 -10.483
    2   2H    ASN   1          2HT       ASN   1   3.965 -11.146 -10.493
    3   3H    ASN   1          3HT       ASN   1   4.313 -10.364  -9.005
    4    HA   ASN   1           HA       ASN   1   2.951  -8.475  -9.830
    5   1HB   ASN   1          2HB       ASN   1   2.842 -10.329 -12.065
    6   2HB   ASN   1          1HB       ASN   1   1.226  -9.909 -11.504
    7   1HD2  ASN   1          1HD2      ASN   1   3.542  -9.083 -13.624
    8   2HD2  ASN   1          2HD2      ASN   1   3.175  -7.408 -13.841
    9    H    GLU   2           H        GLU   2   1.498  -8.318  -8.257
   10    HA   GLU   2           HA       GLU   2  -0.059  -8.838  -6.685
   11   1HB   GLU   2          2HB       GLU   2  -0.955 -10.001  -9.006
   12   2HB   GLU   2          1HB       GLU   2  -0.955 -11.359  -7.889
   13   1HG   GLU   2          2HG       GLU   2  -2.174  -9.631  -6.322
   14   2HG   GLU   2          1HG       GLU   2  -2.581  -8.876  -7.862
   15    H    LYS   3           H        LYS   3   0.563  -9.515  -4.753
   16    HA   LYS   3           HA       LYS   3   2.189 -11.914  -4.503
   17   1HB   LYS   3          2HB       LYS   3   2.167  -9.452  -3.207
   18   2HB   LYS   3          1HB       LYS   3   1.523 -10.567  -2.010
   19   1HG   LYS   3          2HG       LYS   3   3.471 -11.862  -2.001
   20   2HG   LYS   3          1HG       LYS   3   4.051 -11.156  -3.511
   21   1HD   LYS   3          2HD       LYS   3   3.621  -9.416  -1.116
   22   2HD   LYS   3          1HD       LYS   3   5.082 -10.398  -1.239
   23   1HE   LYS   3          2HE       LYS   3   4.794  -9.182  -3.739
   24   2HE   LYS   3          1HE       LYS   3   4.411  -7.926  -2.562
   25   1HZ   LYS   3          1HZ       LYS   3   6.529  -8.558  -1.417
   26   2HZ   LYS   3          2HZ       LYS   3   6.726  -7.840  -2.936
   27   3HZ   LYS   3          3HZ       LYS   3   6.905  -9.513  -2.764
   28    H    SER   4           H        SER   4  -0.721 -10.587  -2.924
   29    HA   SER   4           HA       SER   4  -1.869 -13.258  -2.827
   30   1HB   SER   4          2HB       SER   4  -1.970 -11.746  -0.258
   31   2HB   SER   4          1HB       SER   4  -1.994 -13.486  -0.542
   32    HG   SER   4           HG       SER   4   0.143 -13.528  -0.601
   33    H    GLY   5           H        GLY   5  -2.422 -10.007  -1.441
   34   1HA   GLY   5          2HA       GLY   5  -5.241 -10.213  -2.181
   35   2HA   GLY   5          1HA       GLY   5  -4.526  -8.994  -1.139
   36    H    SER   6           H        SER   6  -5.004  -7.115  -2.057
   37    HA   SER   6           HA       SER   6  -3.910  -6.552  -4.680
   38   1HB   SER   6          2HB       SER   6  -6.657  -7.136  -4.386
   39   2HB   SER   6          1HB       SER   6  -6.547  -5.389  -4.598
   40    HG   SER   6           HG       SER   6  -5.331  -7.320  -6.288
   41    H    CYS   7           H        CYS   7  -5.044  -4.081  -5.080
   42    HA   CYS   7           HA       CYS   7  -3.704  -2.525  -3.030
   43   1HB   CYS   7          2HB       CYS   7  -3.202  -1.953  -5.319
   44   2HB   CYS   7          1HB       CYS   7  -4.911  -1.773  -5.699
   45    HA   PRO   8           HA       PRO   8  -7.376  -1.447  -0.793
   46   1HB   PRO   8          2HB       PRO   8  -6.082   1.181  -0.349
   47   2HB   PRO   8          1HB       PRO   8  -6.655  -0.004   0.828
   48   1HG   PRO   8          2HG       PRO   8  -4.044   0.348   0.388
   49   2HG   PRO   8          1HG       PRO   8  -4.716  -1.264   0.701
   50   1HD   PRO   8          2HD       PRO   8  -3.879  -0.030  -1.893
   51   2HD   PRO   8          1HD       PRO   8  -3.657  -1.692  -1.311
   52    H    ASP   9           H        ASP   9  -8.457   1.048  -0.460
   53    HA   ASP   9           HA       ASP   9  -8.685   2.639  -2.751
   54   1HB   ASP   9          2HB       ASP   9 -10.862   1.927  -3.630
   55   2HB   ASP   9          1HB       ASP   9  -9.672   0.636  -3.775
   56    H    MET  10           H        MET  10  -8.431   3.450  -0.278
   57    HA   MET  10           HA       MET  10 -10.999   4.705   0.300
   58   1HB   MET  10          2HB       MET  10  -9.644   2.752   2.039
   59   2HB   MET  10          1HB       MET  10 -10.140   4.234   2.845
   60   1HG   MET  10          2HG       MET  10 -12.198   3.458   2.999
   61   2HG   MET  10          1HG       MET  10 -12.305   3.399   1.242
   62   1HE   MET  10          1HE       MET  10 -13.788   0.868   3.447
   63   2HE   MET  10          2HE       MET  10 -12.638   1.885   4.315
   64   3HE   MET  10          3HE       MET  10 -12.367   0.146   4.200
   65    H    SER  11           H        SER  11  -7.899   4.479   2.030
   66    HA   SER  11           HA       SER  11  -7.650   7.001   2.918
   67   1HB   SER  11          2HB       SER  11  -5.226   5.686   1.746
   68   2HB   SER  11          1HB       SER  11  -5.380   6.593   3.250
   69    HG   SER  11           HG       SER  11  -5.969   4.831   4.246
   70    H    MET  12           H        MET  12  -7.516   8.976   2.067
   71    HA   MET  12           HA       MET  12  -6.319   9.318  -0.585
   72   1HB   MET  12          2HB       MET  12  -8.981   9.209  -0.446
   73   2HB   MET  12          1HB       MET  12  -8.776  10.895   0.003
   74   1HG   MET  12          2HG       MET  12  -7.978  11.495  -2.054
   75   2HG   MET  12          1HG       MET  12  -7.366   9.880  -2.408
   76   1HE   MET  12          1HE       MET  12 -11.415  11.655  -3.352
   77   2HE   MET  12          2HE       MET  12 -10.016  12.412  -2.590
   78   3HE   MET  12          3HE       MET  12 -11.128  11.441  -1.625
   79    HA   PRO  13           HA       PRO  13  -5.019  12.498   2.614
   80   1HB   PRO  13          2HB       PRO  13  -2.295  11.667   1.943
   81   2HB   PRO  13          1HB       PRO  13  -3.087  11.730   3.520
   82   1HG   PRO  13          2HG       PRO  13  -2.458   9.400   2.301
   83   2HG   PRO  13          1HG       PRO  13  -3.869   9.574   3.360
   84   1HD   PRO  13          2HD       PRO  13  -3.735   9.563   0.366
   85   2HD   PRO  13          1HD       PRO  13  -4.918   8.792   1.445
   86    H    ILE  14           H        ILE  14  -4.261  14.532   2.139
   87    HA   ILE  14           HA       ILE  14  -3.098  14.975  -0.520
   88    HB   ILE  14           HB       ILE  14  -5.295  16.703   0.619
   89   1HG1  ILE  14          2HG1      ILE  14  -6.210  15.532  -1.738
   90   2HG1  ILE  14          1HG1      ILE  14  -5.415  14.212  -0.886
   91   1HG2  ILE  14          1HG2      ILE  14  -5.202  17.235  -2.025
   92   2HG2  ILE  14          2HG2      ILE  14  -3.504  16.875  -1.707
   93   3HG2  ILE  14          3HG2      ILE  14  -4.320  18.150  -0.802
   94   1HD1  ILE  14          1HD1      ILE  14  -6.813  15.089   1.141
   95   2HD1  ILE  14          2HD1      ILE  14  -7.544  14.046  -0.079
   96   3HD1  ILE  14          3HD1      ILE  14  -7.819  15.788  -0.129
   97    HA   PRO  15           HA       PRO  15  -1.122  17.453   2.989
   98   1HB   PRO  15          2HB       PRO  15   1.153  16.071   3.342
   99   2HB   PRO  15          1HB       PRO  15  -0.346  15.619   4.164
  100   1HG   PRO  15          2HG       PRO  15   0.899  14.440   1.711
  101   2HG   PRO  15          1HG       PRO  15   0.154  13.616   3.093
  102   1HD   PRO  15          2HD       PRO  15  -1.129  14.048   0.718
  103   2HD   PRO  15          1HD       PRO  15  -1.968  13.903   2.274
  104    HA   PRO  16           HA       PRO  16   1.220  19.135  -0.508
  105   1HB   PRO  16          2HB       PRO  16   0.995  21.715   0.142
  106   2HB   PRO  16          1HB       PRO  16  -0.382  20.811  -0.500
  107   1HG   PRO  16          2HG       PRO  16   0.236  21.570   2.325
  108   2HG   PRO  16          1HG       PRO  16  -1.320  21.581   1.477
  109   1HD   PRO  16          2HD       PRO  16  -0.459  19.573   3.178
  110   2HD   PRO  16          1HD       PRO  16  -1.703  19.378   1.929
  111    H    LEU  17           H        LEU  17   2.634  17.967   1.669
  112    HA   LEU  17           HA       LEU  17   4.575  20.020   2.429
  113   1HB   LEU  17          2HB       LEU  17   3.453  18.373   4.089
  114   2HB   LEU  17          1HB       LEU  17   4.581  17.198   3.442
  115    HG   LEU  17           HG       LEU  17   6.342  19.099   4.032
  116   1HD1  LEU  17          1HD1      LEU  17   4.925  20.790   4.830
  117   2HD1  LEU  17          2HD1      LEU  17   5.621  20.057   6.276
  118   3HD1  LEU  17          3HD1      LEU  17   3.973  19.657   5.790
  119   1HD2  LEU  17          1HD2      LEU  17   6.819  17.123   5.038
  120   2HD2  LEU  17          2HD2      LEU  17   5.164  16.881   5.600
  121   3HD2  LEU  17          3HD2      LEU  17   6.233  17.993   6.456
  122    H    GLY  18           H        GLY  18   4.450  16.717   1.105
  123   1HA   GLY  18          2HA       GLY  18   5.962  16.743  -1.029
  124   2HA   GLY  18          1HA       GLY  18   7.207  17.018   0.172
  125    H    ILE  19           H        ILE  19   4.385  14.919   0.300
  126    HA   ILE  19           HA       ILE  19   5.991  12.728   1.219
  127    HB   ILE  19           HB       ILE  19   3.852  13.120   2.271
  128   1HG1  ILE  19          2HG1      ILE  19   3.270  10.699   0.655
  129   2HG1  ILE  19          1HG1      ILE  19   4.765  10.737   1.576
  130   1HG2  ILE  19          1HG2      ILE  19   2.789  12.911  -0.528
  131   2HG2  ILE  19          2HG2      ILE  19   2.563  14.207   0.648
  132   3HG2  ILE  19          3HG2      ILE  19   1.758  12.655   0.880
  133   1HD1  ILE  19          1HD1      ILE  19   3.279  11.375   3.569
  134   2HD1  ILE  19          2HD1      ILE  19   3.258   9.703   3.007
  135   3HD1  ILE  19          3HD1      ILE  19   1.946  10.797   2.567
  136    H    CYS  20           H        CYS  20   5.508  13.908  -1.767
  137    HA   CYS  20           HA       CYS  20   4.863  11.479  -3.177
  138   1HB   CYS  20          2HB       CYS  20   6.037  13.971  -4.399
  139   2HB   CYS  20          1HB       CYS  20   5.013  12.761  -5.164
  140    H    LYS  21           H        LYS  21   6.505  10.064  -2.421
  141    HA   LYS  21           HA       LYS  21   9.038  10.417  -3.845
  142   1HB   LYS  21          2HB       LYS  21   8.913  10.896  -1.169
  143   2HB   LYS  21          1HB       LYS  21   9.299   9.180  -1.183
  144   1HG   LYS  21          2HG       LYS  21  11.166   9.825  -2.826
  145   2HG   LYS  21          1HG       LYS  21  10.890  11.474  -2.262
  146   1HD   LYS  21          2HD       LYS  21  11.530  10.955  -0.071
  147   2HD   LYS  21          1HD       LYS  21  11.341   9.220  -0.333
  148   1HE   LYS  21          2HE       LYS  21  13.298  10.541  -2.084
  149   2HE   LYS  21          1HE       LYS  21  13.714  10.535  -0.370
  150   1HZ   LYS  21          1HZ       LYS  21  13.000   8.022  -0.637
  151   2HZ   LYS  21          2HZ       LYS  21  14.575   8.543  -0.966
  152   3HZ   LYS  21          3HZ       LYS  21  13.483   8.302  -2.235
  153    H    THR  22           H        THR  22   8.465   8.850  -5.327
  154    HA   THR  22           HA       THR  22   7.336   6.356  -4.727
  155    HB   THR  22           HB       THR  22   7.334   7.222  -6.985
  156    HG1  THR  22           1HG      THR  22   8.969   4.910  -6.898
  157   1HG2  THR  22          1HG2      THR  22  10.322   6.970  -6.844
  158   2HG2  THR  22          2HG2      THR  22   9.368   8.416  -7.174
  159   3HG2  THR  22          3HG2      THR  22   9.424   7.107  -8.354
  160    H    LEU  23           H        LEU  23   8.148   4.512  -3.936
  161    HA   LEU  23           HA       LEU  23  11.076   4.291  -3.693
  162   1HB   LEU  23          2HB       LEU  23  10.824   3.232  -1.564
  163   2HB   LEU  23          1HB       LEU  23   9.948   4.750  -1.537
  164    HG   LEU  23           HG       LEU  23   8.018   2.919  -2.305
  165   1HD1  LEU  23          1HD1      LEU  23  10.068   1.613  -0.622
  166   2HD1  LEU  23          2HD1      LEU  23   8.945   0.920  -1.792
  167   3HD1  LEU  23          3HD1      LEU  23   8.382   1.350  -0.177
  168   1HD2  LEU  23          1HD2      LEU  23   7.156   3.252  -0.014
  169   2HD2  LEU  23          2HD2      LEU  23   7.661   4.757  -0.784
  170   3HD2  LEU  23          3HD2      LEU  23   8.692   3.998   0.429
  171    H    CYS  24           H        CYS  24   8.039   2.620  -4.278
  172    HA   CYS  24           HA       CYS  24   9.561   0.204  -4.998
  173   1HB   CYS  24          2HB       CYS  24   7.443  -1.026  -4.747
  174   2HB   CYS  24          1HB       CYS  24   7.893  -0.195  -3.263
  175    H    ASN  25           H        ASN  25   8.657  -1.066  -6.814
  176    HA   ASN  25           HA       ASN  25   7.651   0.711  -8.936
  177   1HB   ASN  25          2HB       ASN  25  10.062  -0.623  -8.893
  178   2HB   ASN  25          1HB       ASN  25   9.042  -1.706  -9.835
  179   1HD2  ASN  25          1HD2      ASN  25  10.949   1.048  -9.887
  180   2HD2  ASN  25          2HD2      ASN  25  10.513   1.633 -11.453
  181    H    SER  26           H        SER  26   7.001  -2.030  -7.067
  182    HA   SER  26           HA       SER  26   4.494  -2.494  -8.104
  183   1HB   SER  26          2HB       SER  26   5.503  -3.344 -10.123
  184   2HB   SER  26          1HB       SER  26   6.594  -4.376  -9.198
  185    HG   SER  26           HG       SER  26   3.871  -4.686  -9.743
  186    H    ASP  27           H        ASP  27   3.756  -4.877  -7.471
  187    HA   ASP  27           HA       ASP  27   3.859  -5.079  -4.726
  188   1HB   ASP  27          2HB       ASP  27   2.400  -6.300  -6.587
  189   2HB   ASP  27          1HB       ASP  27   3.546  -7.594  -6.264
  190    H    SER  28           H        SER  28   5.842  -6.776  -7.116
  191    HA   SER  28           HA       SER  28   7.286  -8.322  -5.224
  192   1HB   SER  28          2HB       SER  28   8.957  -8.494  -7.190
  193   2HB   SER  28          1HB       SER  28   7.340  -9.160  -7.419
  194    HG   SER  28           HG       SER  28   8.511  -6.883  -8.535
  195    H    GLY  29           H        GLY  29   7.474  -5.037  -6.205
  196   1HA   GLY  29          2HA       GLY  29  10.233  -4.665  -5.494
  197   2HA   GLY  29          1HA       GLY  29   9.090  -3.405  -5.911
  198    H    CYS  30           H        CYS  30   7.151  -4.335  -3.923
  199    HA   CYS  30           HA       CYS  30   8.136  -2.824  -1.704
  200   1HB   CYS  30          2HB       CYS  30   5.578  -4.197  -2.349
  201   2HB   CYS  30          1HB       CYS  30   5.884  -3.704  -0.691
  202    HA   PRO  31           HA       PRO  31   9.745  -6.128   0.626
  203   1HB   PRO  31          2HB       PRO  31  10.098  -4.920   2.993
  204   2HB   PRO  31          1HB       PRO  31  11.047  -4.478   1.571
  205   1HG   PRO  31          2HG       PRO  31   8.699  -3.095   2.790
  206   2HG   PRO  31          1HG       PRO  31  10.161  -2.399   2.072
  207   1HD   PRO  31          2HD       PRO  31   7.712  -2.628   0.793
  208   2HD   PRO  31          1HD       PRO  31   9.274  -2.432  -0.025
  209    H    ASN  32           H        ASN  32   9.486  -7.050   2.976
  210    HA   ASN  32           HA       ASN  32   8.193  -8.417   4.255
  211   1HB   ASN  32          2HB       ASN  32   6.739  -5.780   4.431
  212   2HB   ASN  32          1HB       ASN  32   6.300  -7.173   5.414
  213   1HD2  ASN  32          1HD2      ASN  32   8.605  -4.667   4.862
  214   2HD2  ASN  32          2HD2      ASN  32   9.548  -4.929   6.286
  215    H    VAL  33           H        VAL  33   5.344  -6.605   3.273
  216    HA   VAL  33           HA       VAL  33   4.520  -8.510   1.294
  217    HB   VAL  33           HB       VAL  33   4.047  -9.778   3.367
  218   1HG1  VAL  33          1HG1      VAL  33   1.973  -7.703   4.013
  219   2HG1  VAL  33          2HG1      VAL  33   3.589  -7.676   4.721
  220   3HG1  VAL  33          3HG1      VAL  33   2.523  -9.053   5.005
  221   1HG2  VAL  33          1HG2      VAL  33   2.487  -9.535   1.178
  222   2HG2  VAL  33          2HG2      VAL  33   1.331  -9.115   2.442
  223   3HG2  VAL  33          3HG2      VAL  33   2.169 -10.666   2.493
  224    H    GLN  34           H        GLN  34   4.868  -5.611   1.732
  225    HA   GLN  34           HA       GLN  34   2.204  -4.498   1.689
  226   1HB   GLN  34          2HB       GLN  34   4.896  -3.212   1.236
  227   2HB   GLN  34          1HB       GLN  34   3.371  -2.355   1.403
  228   1HG   GLN  34          2HG       GLN  34   3.130  -3.273   3.669
  229   2HG   GLN  34          1HG       GLN  34   4.702  -4.045   3.497
  230   1HE2  GLN  34          1HE2      GLN  34   3.185  -0.859   3.143
  231   2HE2  GLN  34          2HE2      GLN  34   4.489   0.031   3.843
  232    H    LYS  35           H        LYS  35   1.173  -3.584  -0.069
  233    HA   LYS  35           HA       LYS  35   2.028  -4.562  -2.651
  234   1HB   LYS  35          2HB       LYS  35  -0.482  -3.698  -1.396
  235   2HB   LYS  35          1HB       LYS  35  -0.300  -3.183  -3.061
  236   1HG   LYS  35          2HG       LYS  35  -1.486  -5.318  -2.867
  237   2HG   LYS  35          1HG       LYS  35   0.022  -5.474  -3.773
  238   1HD   LYS  35          2HD       LYS  35   1.136  -6.440  -1.895
  239   2HD   LYS  35          1HD       LYS  35  -0.224  -6.076  -0.832
  240   1HE   LYS  35          2HE       LYS  35  -1.552  -7.555  -2.539
  241   2HE   LYS  35          1HE       LYS  35   0.050  -8.187  -2.917
  242   1HZ   LYS  35          1HZ       LYS  35  -1.544  -8.496  -0.498
  243   2HZ   LYS  35          2HZ       LYS  35   0.125  -8.330  -0.283
  244   3HZ   LYS  35          3HZ       LYS  35  -0.482  -9.585  -1.241
  245    H    CYS  36           H        CYS  36   2.382  -3.212  -4.440
  246    HA   CYS  36           HA       CYS  36   3.176  -0.493  -3.696
  247   1HB   CYS  36          2HB       CYS  36   4.826  -2.038  -4.809
  248   2HB   CYS  36          1HB       CYS  36   3.820  -1.978  -6.251
  249    H    CYS  37           H        CYS  37   1.494   0.846  -3.885
  250    HA   CYS  37           HA       CYS  37   0.048   0.874  -6.453
  251   1HB   CYS  37          2HB       CYS  37  -1.097   0.207  -4.076
  252   2HB   CYS  37          1HB       CYS  37  -1.380   1.943  -4.104
  253    H    LYS  38           H        LYS  38  -1.344   3.113  -6.332
  254    HA   LYS  38           HA       LYS  38   0.667   5.221  -5.882
  255   1HB   LYS  38          2HB       LYS  38  -0.377   4.497  -8.289
  256   2HB   LYS  38          1HB       LYS  38  -1.496   5.767  -7.811
  257   1HG   LYS  38          2HG       LYS  38   0.214   7.380  -7.716
  258   2HG   LYS  38          1HG       LYS  38   1.480   6.152  -7.773
  259   1HD   LYS  38          2HD       LYS  38   1.501   6.900  -9.947
  260   2HD   LYS  38          1HD       LYS  38   0.366   5.555 -10.071
  261   1HE   LYS  38          2HE       LYS  38  -1.471   7.254  -9.672
  262   2HE   LYS  38          1HE       LYS  38  -0.245   8.497  -9.916
  263   1HZ   LYS  38          1HZ       LYS  38  -0.913   8.310 -12.041
  264   2HZ   LYS  38          2HZ       LYS  38  -1.512   6.741 -11.849
  265   3HZ   LYS  38          3HZ       LYS  38   0.146   6.990 -12.071
  266    H    ASN  39           H        ASN  39   0.153   6.529  -4.268
  267    HA   ASN  39           HA       ASN  39  -2.306   6.567  -2.946
  268   1HB   ASN  39          2HB       ASN  39   0.177   8.162  -2.871
  269   2HB   ASN  39          1HB       ASN  39  -1.260   8.989  -2.279
  270   1HD2  ASN  39          1HD2      ASN  39   1.292   7.431  -1.222
  271   2HD2  ASN  39          2HD2      ASN  39   0.652   6.624   0.165
  272    H    GLY  40           H        GLY  40  -0.934   9.252  -4.863
  273   1HA   GLY  40          2HA       GLY  40  -3.187   9.672  -6.470
  274   2HA   GLY  40          1HA       GLY  40  -3.362  10.673  -5.036
  275    H    CYS  41           H        CYS  41  -0.548  11.198  -4.707
  276    HA   CYS  41           HA       CYS  41  -0.297  13.523  -6.232
  277   1HB   CYS  41          2HB       CYS  41   0.894  13.182  -4.117
  278   2HB   CYS  41          1HB       CYS  41   1.872  11.921  -4.861
  279    H    GLY  42           H        GLY  42   1.134  10.312  -6.700
  280   1HA   GLY  42          2HA       GLY  42   1.177   9.676  -9.143
  281   2HA   GLY  42          1HA       GLY  42   2.027  11.196  -9.373
  282    H    PHE  43           H        PHE  43   2.375   8.649  -6.915
  283    HA   PHE  43           HA       PHE  43   5.011   7.988  -7.967
  284   1HB   PHE  43          2HB       PHE  43   6.131   8.309  -5.836
  285   2HB   PHE  43          1HB       PHE  43   5.388   9.820  -6.345
  286    HD1  PHE  43           1HD      PHE  43   6.009   7.883  -3.603
  287    HD2  PHE  43           2HD      PHE  43   2.796   9.953  -5.469
  288    HE1  PHE  43           1HE      PHE  43   4.854   8.031  -1.436
  289    HE2  PHE  43           2HE      PHE  43   1.632  10.105  -3.306
  290    HZ   PHE  43           HZ       PHE  43   2.661   9.143  -1.286
  291    H    MET  44           H        MET  44   5.825   5.975  -7.241
  292    HA   MET  44           HA       MET  44   3.721   4.138  -6.432
  293   1HB   MET  44          2HB       MET  44   6.466   3.815  -7.600
  294   2HB   MET  44          1HB       MET  44   5.643   2.445  -6.870
  295   1HG   MET  44          2HG       MET  44   4.613   4.105  -9.157
  296   2HG   MET  44          1HG       MET  44   5.331   2.500  -9.280
  297   1HE   MET  44          1HE       MET  44   1.181   3.435  -9.310
  298   2HE   MET  44          2HE       MET  44   2.097   2.553 -10.533
  299   3HE   MET  44          3HE       MET  44   2.660   4.129  -9.974
  300    H    THR  45           H        THR  45   3.395   3.864  -4.327
  301    HA   THR  45           HA       THR  45   5.750   3.583  -2.579
  302    HB   THR  45           HB       THR  45   3.431   4.398  -1.086
  303    HG1  THR  45           1HG      THR  45   4.158   6.065  -3.257
  304   1HG2  THR  45          1HG2      THR  45   5.678   4.727  -0.274
  305   2HG2  THR  45          2HG2      THR  45   4.849   6.278  -0.420
  306   3HG2  THR  45          3HG2      THR  45   6.037   5.794  -1.631
  307    H    CYS  46           H        CYS  46   5.142   2.420  -0.478
  308    HA   CYS  46           HA       CYS  46   3.665   0.011  -1.218
  309   1HB   CYS  46          2HB       CYS  46   5.567   0.567   1.060
  310   2HB   CYS  46          1HB       CYS  46   4.736  -0.964   0.820
  311    H    THR  47           H        THR  47   1.997  -0.811  -0.043
  312    HA   THR  47           HA       THR  47   0.985   0.720   2.235
  313    HB   THR  47           HB       THR  47  -0.138   1.592   0.208
  314    HG1  THR  47           1HG      THR  47  -1.355   1.663   2.049
  315   1HG2  THR  47          1HG2      THR  47  -0.250  -1.070  -0.603
  316   2HG2  THR  47          2HG2      THR  47  -0.972   0.328  -1.398
  317   3HG2  THR  47          3HG2      THR  47  -1.915  -0.613  -0.243
  318    H    THR  48           H        THR  48  -1.234  -0.519   2.898
  319    HA   THR  48           HA       THR  48  -0.340  -3.159   3.634
  320    HB   THR  48           HB       THR  48  -2.937  -1.765   4.259
  321    HG1  THR  48           1HG      THR  48  -0.504  -1.901   5.700
  322   1HG2  THR  48          1HG2      THR  48  -2.688  -4.333   4.588
  323   2HG2  THR  48          2HG2      THR  48  -3.397  -3.336   5.857
  324   3HG2  THR  48          3HG2      THR  48  -1.717  -3.858   5.981
  325    HA   PRO  49           HA       PRO  49  -2.433  -5.259   0.327
  326   1HB   PRO  49          2HB       PRO  49  -2.457  -7.762   1.369
  327   2HB   PRO  49          1HB       PRO  49  -0.995  -7.011   0.720
  328   1HG   PRO  49          2HG       PRO  49  -1.891  -7.260   3.567
  329   2HG   PRO  49          1HG       PRO  49  -0.279  -7.521   2.876
  330   1HD   PRO  49          2HD       PRO  49  -0.954  -5.234   4.151
  331   2HD   PRO  49          1HD       PRO  49   0.193  -5.264   2.796
  332    H    VAL  50           H        VAL  50  -4.531  -5.509  -0.178
  333    HA   VAL  50           HA       VAL  50  -6.446  -5.774   2.037
  334    HB   VAL  50           HB       VAL  50  -6.693  -3.757   0.642
  335   1HG1  VAL  50          1HG1      VAL  50  -6.070  -5.369  -1.467
  336   2HG1  VAL  50          2HG1      VAL  50  -6.775  -3.759  -1.598
  337   3HG1  VAL  50          3HG1      VAL  50  -7.814  -5.182  -1.657
  338   1HG2  VAL  50          1HG2      VAL  50  -9.148  -4.251  -0.038
  339   2HG2  VAL  50          2HG2      VAL  50  -8.688  -4.335   1.662
  340   3HG2  VAL  50          3HG2      VAL  50  -8.861  -5.816   0.721
  341    HA   PRO  51           HA       PRO  51  -7.377  -9.861   0.541
  342   1HB   PRO  51          2HB       PRO  51  -9.625 -10.316   1.970
  343   2HB   PRO  51          1HB       PRO  51  -8.018 -10.321   2.706
  344   1HG   PRO  51          2HG       PRO  51 -10.083  -8.154   2.681
  345   2HG   PRO  51          1HG       PRO  51  -9.064  -8.712   4.021
  346   1HD   PRO  51          2HD       PRO  51  -8.506  -6.484   2.570
  347   2HD   PRO  51          1HD       PRO  51  -7.248  -7.491   3.313
  Start of MODEL    4
    1   1H    ASN   1          1HT       ASN   1   5.146 -10.283 -10.945
    2   2H    ASN   1          2HT       ASN   1   4.522 -11.513  -9.923
    3   3H    ASN   1          3HT       ASN   1   4.863  -9.957  -9.286
    4    HA   ASN   1           HA       ASN   1   3.121  -8.979 -10.385
    5   1HB   ASN   1          2HB       ASN   1   3.423 -11.372 -12.112
    6   2HB   ASN   1          1HB       ASN   1   1.785 -10.753 -11.925
    7   1HD2  ASN   1          1HD2      ASN   1   4.912 -10.218 -13.255
    8   2HD2  ASN   1          2HD2      ASN   1   4.522  -8.804 -14.167
    9    H    GLU   2           H        GLU   2   1.684  -8.820  -8.798
   10    HA   GLU   2           HA       GLU   2   0.084  -9.330  -7.264
   11   1HB   GLU   2          2HB       GLU   2  -0.624 -10.743  -9.451
   12   2HB   GLU   2          1HB       GLU   2  -0.393 -12.060  -8.309
   13   1HG   GLU   2          2HG       GLU   2  -2.052 -11.225  -6.859
   14   2HG   GLU   2          1HG       GLU   2  -2.111  -9.677  -7.700
   15    H    LYS   3           H        LYS   3   0.396  -9.872  -5.212
   16    HA   LYS   3           HA       LYS   3   2.266 -12.057  -4.615
   17   1HB   LYS   3          2HB       LYS   3   2.288  -9.469  -3.742
   18   2HB   LYS   3          1HB       LYS   3   1.450 -10.270  -2.421
   19   1HG   LYS   3          2HG       LYS   3   3.345 -11.893  -2.312
   20   2HG   LYS   3          1HG       LYS   3   4.194 -10.885  -3.484
   21   1HD   LYS   3          2HD       LYS   3   3.093  -9.639  -1.005
   22   2HD   LYS   3          1HD       LYS   3   4.596 -10.559  -0.917
   23   1HE   LYS   3          2HE       LYS   3   5.142  -9.051  -3.057
   24   2HE   LYS   3          1HE       LYS   3   4.020  -7.969  -2.234
   25   1HZ   LYS   3          1HZ       LYS   3   5.454  -8.366  -0.197
   26   2HZ   LYS   3          2HZ       LYS   3   6.118  -7.406  -1.421
   27   3HZ   LYS   3          3HZ       LYS   3   6.605  -9.017  -1.253
   28    H    SER   4           H        SER   4  -0.523 -10.559  -2.969
   29    HA   SER   4           HA       SER   4  -1.713 -13.210  -2.638
   30   1HB   SER   4          2HB       SER   4  -1.476 -11.319  -0.296
   31   2HB   SER   4          1HB       SER   4  -1.997 -13.004  -0.284
   32    HG   SER   4           HG       SER   4   0.255 -12.491   0.388
   33    H    GLY   5           H        GLY   5  -2.275  -9.876  -1.480
   34   1HA   GLY   5          2HA       GLY   5  -5.075 -10.138  -2.313
   35   2HA   GLY   5          1HA       GLY   5  -4.439  -8.935  -1.203
   36    H    SER   6           H        SER   6  -4.906  -7.042  -2.102
   37    HA   SER   6           HA       SER   6  -3.680  -6.389  -4.645
   38   1HB   SER   6          2HB       SER   6  -5.652  -5.627  -5.727
   39   2HB   SER   6          1HB       SER   6  -6.056  -7.220  -5.085
   40    HG   SER   6           HG       SER   6  -6.765  -4.685  -4.041
   41    H    CYS   7           H        CYS   7  -4.826  -3.926  -5.039
   42    HA   CYS   7           HA       CYS   7  -3.470  -2.344  -3.100
   43   1HB   CYS   7          2HB       CYS   7  -3.587  -1.676  -5.455
   44   2HB   CYS   7          1HB       CYS   7  -5.336  -1.527  -5.338
   45    HA   PRO   8           HA       PRO   8  -6.819  -1.857  -0.219
   46   1HB   PRO   8          2HB       PRO   8  -5.892   0.299   1.143
   47   2HB   PRO   8          1HB       PRO   8  -5.222  -1.324   1.347
   48   1HG   PRO   8          2HG       PRO   8  -4.192   0.960  -0.292
   49   2HG   PRO   8          1HG       PRO   8  -3.299  -0.161   0.752
   50   1HD   PRO   8          2HD       PRO   8  -3.383  -0.429  -1.940
   51   2HD   PRO   8          1HD       PRO   8  -3.261  -1.820  -0.846
   52    H    ASP   9           H        ASP   9  -8.691  -0.698  -0.046
   53    HA   ASP   9           HA       ASP   9  -8.925   1.671  -1.781
   54   1HB   ASP   9          2HB       ASP   9 -10.322  -0.613  -2.040
   55   2HB   ASP   9          1HB       ASP   9 -11.370   0.233  -0.905
   56    H    MET  10           H        MET  10 -11.032   2.962  -1.039
   57    HA   MET  10           HA       MET  10 -11.947   4.390   0.474
   58   1HB   MET  10          2HB       MET  10 -12.318   2.066   1.623
   59   2HB   MET  10          1HB       MET  10 -11.086   2.635   2.741
   60   1HG   MET  10          2HG       MET  10 -12.541   4.717   3.002
   61   2HG   MET  10          1HG       MET  10 -13.805   3.775   2.215
   62   1HE   MET  10          1HE       MET  10 -15.531   3.653   4.926
   63   2HE   MET  10          2HE       MET  10 -15.453   1.921   4.604
   64   3HE   MET  10          3HE       MET  10 -15.410   3.069   3.266
   65    H    SER  11           H        SER  11  -8.891   4.184  -0.060
   66    HA   SER  11           HA       SER  11  -7.414   5.003   2.074
   67   1HB   SER  11          2HB       SER  11  -6.090   6.340   0.267
   68   2HB   SER  11          1HB       SER  11  -6.173   4.582   0.152
   69    HG   SER  11           HG       SER  11  -6.905   6.320  -1.661
   70    H    MET  12           H        MET  12  -6.352   7.353   2.062
   71    HA   MET  12           HA       MET  12  -8.562   9.300   2.133
   72   1HB   MET  12          2HB       MET  12  -7.249   8.348   4.332
   73   2HB   MET  12          1HB       MET  12  -6.309   9.788   3.963
   74   1HG   MET  12          2HG       MET  12  -8.057  11.209   4.386
   75   2HG   MET  12          1HG       MET  12  -9.277   9.983   4.049
   76   1HE   MET  12          1HE       MET  12 -10.104  11.552   6.159
   77   2HE   MET  12          2HE       MET  12 -10.144  10.722   7.715
   78   3HE   MET  12          3HE       MET  12 -10.842   9.956   6.288
   79    HA   PRO  13           HA       PRO  13  -6.073  11.762  -0.570
   80   1HB   PRO  13          2HB       PRO  13  -7.063  14.232   0.009
   81   2HB   PRO  13          1HB       PRO  13  -7.930  13.046  -0.974
   82   1HG   PRO  13          2HG       PRO  13  -8.267  13.713   1.925
   83   2HG   PRO  13          1HG       PRO  13  -9.508  13.420   0.692
   84   1HD   PRO  13          2HD       PRO  13  -8.788  11.537   2.490
   85   2HD   PRO  13          1HD       PRO  13  -9.288  11.126   0.836
   86    H    ILE  14           H        ILE  14  -3.977  11.765   0.075
   87    HA   ILE  14           HA       ILE  14  -3.208  13.364   2.407
   88    HB   ILE  14           HB       ILE  14  -1.453  11.524   0.783
   89   1HG1  ILE  14          2HG1      ILE  14  -3.296  10.230   1.709
   90   2HG1  ILE  14          1HG1      ILE  14  -1.815   9.871   2.591
   91   1HG2  ILE  14          1HG2      ILE  14  -0.401  13.301   2.225
   92   2HG2  ILE  14          2HG2      ILE  14   0.075  11.643   2.591
   93   3HG2  ILE  14          3HG2      ILE  14  -1.097  12.470   3.617
   94   1HD1  ILE  14          1HD1      ILE  14  -3.145  10.144   4.377
   95   2HD1  ILE  14          2HD1      ILE  14  -4.302  11.144   3.498
   96   3HD1  ILE  14          3HD1      ILE  14  -2.809  11.854   4.113
   97    HA   PRO  15           HA       PRO  15  -1.749  16.598  -0.274
   98   1HB   PRO  15          2HB       PRO  15  -0.207  17.949   1.498
   99   2HB   PRO  15          1HB       PRO  15  -1.973  17.998   1.538
  100   1HG   PRO  15          2HG       PRO  15  -0.086  16.359   3.187
  101   2HG   PRO  15          1HG       PRO  15  -1.530  17.254   3.698
  102   1HD   PRO  15          2HD       PRO  15  -1.540  14.577   3.286
  103   2HD   PRO  15          1HD       PRO  15  -2.962  15.594   2.986
  104    HA   PRO  16           HA       PRO  16   2.099  15.178  -1.958
  105   1HB   PRO  16          2HB       PRO  16   2.617  18.061  -2.485
  106   2HB   PRO  16          1HB       PRO  16   2.651  16.690  -3.598
  107   1HG   PRO  16          2HG       PRO  16   0.623  18.414  -3.627
  108   2HG   PRO  16          1HG       PRO  16   0.348  16.678  -3.864
  109   1HD   PRO  16          2HD       PRO  16  -0.150  18.367  -1.452
  110   2HD   PRO  16          1HD       PRO  16  -1.088  17.000  -2.087
  111    H    LEU  17           H        LEU  17   1.972  17.822   0.335
  112    HA   LEU  17           HA       LEU  17   4.810  17.664   0.914
  113   1HB   LEU  17          2HB       LEU  17   3.362  19.788   0.928
  114   2HB   LEU  17          1HB       LEU  17   2.771  19.221   2.478
  115    HG   LEU  17           HG       LEU  17   5.402  19.079   2.967
  116   1HD1  LEU  17          1HD1      LEU  17   6.449  19.892   1.125
  117   2HD1  LEU  17          2HD1      LEU  17   6.153  21.420   1.955
  118   3HD1  LEU  17          3HD1      LEU  17   5.081  20.902   0.655
  119   1HD2  LEU  17          1HD2      LEU  17   5.025  20.783   4.407
  120   2HD2  LEU  17          2HD2      LEU  17   3.353  20.518   3.915
  121   3HD2  LEU  17          3HD2      LEU  17   4.296  21.811   3.174
  122    H    GLY  18           H        GLY  18   5.704  16.458   2.460
  123   1HA   GLY  18          2HA       GLY  18   5.711  15.649   4.734
  124   2HA   GLY  18          1HA       GLY  18   3.975  15.432   4.617
  125    H    ILE  19           H        ILE  19   4.006  14.190   2.052
  126    HA   ILE  19           HA       ILE  19   5.645  11.817   2.272
  127    HB   ILE  19           HB       ILE  19   2.645  11.491   2.337
  128   1HG1  ILE  19          2HG1      ILE  19   4.666  11.202   4.572
  129   2HG1  ILE  19          1HG1      ILE  19   3.360  12.379   4.484
  130   1HG2  ILE  19          1HG2      ILE  19   4.946   9.557   2.473
  131   2HG2  ILE  19          2HG2      ILE  19   3.687   9.659   1.242
  132   3HG2  ILE  19          3HG2      ILE  19   3.285   9.123   2.873
  133   1HD1  ILE  19          1HD1      ILE  19   2.346   9.696   4.240
  134   2HD1  ILE  19          2HD1      ILE  19   1.932  10.960   5.398
  135   3HD1  ILE  19          3HD1      ILE  19   3.300   9.893   5.710
  136    H    CYS  20           H        CYS  20   6.408  11.807   0.250
  137    HA   CYS  20           HA       CYS  20   4.753  11.133  -1.933
  138   1HB   CYS  20          2HB       CYS  20   4.670  13.833  -1.440
  139   2HB   CYS  20          1HB       CYS  20   5.957  13.719  -2.635
  140    H    LYS  21           H        LYS  21   6.193   9.566  -2.453
  141    HA   LYS  21           HA       LYS  21   8.429  10.205  -4.026
  142   1HB   LYS  21          2HB       LYS  21   9.285  10.760  -1.687
  143   2HB   LYS  21          1HB       LYS  21   9.223   9.033  -1.365
  144   1HG   LYS  21          2HG       LYS  21  10.629   9.027  -3.656
  145   2HG   LYS  21          1HG       LYS  21  11.111  10.592  -2.998
  146   1HD   LYS  21          2HD       LYS  21  11.104   8.366  -1.073
  147   2HD   LYS  21          1HD       LYS  21  12.296   8.237  -2.367
  148   1HE   LYS  21          2HE       LYS  21  12.888  10.668  -1.783
  149   2HE   LYS  21          1HE       LYS  21  11.993  10.383  -0.291
  150   1HZ   LYS  21          1HZ       LYS  21  14.562   9.308  -1.152
  151   2HZ   LYS  21          2HZ       LYS  21  13.561   8.264  -0.277
  152   3HZ   LYS  21          3HZ       LYS  21  14.034   9.742   0.396
  153    H    THR  22           H        THR  22   8.513   8.586  -5.426
  154    HA   THR  22           HA       THR  22   7.236   6.079  -4.894
  155    HB   THR  22           HB       THR  22   7.125   7.034  -7.114
  156    HG1  THR  22           1HG      THR  22   7.541   5.198  -8.202
  157   1HG2  THR  22          1HG2      THR  22   9.730   7.792  -6.794
  158   2HG2  THR  22          2HG2      THR  22   8.822   7.832  -8.305
  159   3HG2  THR  22          3HG2      THR  22   9.852   6.450  -7.931
  160    H    LEU  23           H        LEU  23   8.118   4.361  -3.959
  161    HA   LEU  23           HA       LEU  23  11.052   4.088  -4.012
  162   1HB   LEU  23          2HB       LEU  23  10.966   3.064  -1.841
  163   2HB   LEU  23          1HB       LEU  23  10.151   4.615  -1.778
  164    HG   LEU  23           HG       LEU  23   8.420   2.273  -2.288
  165   1HD1  LEU  23          1HD1      LEU  23   9.871   1.292  -0.645
  166   2HD1  LEU  23          2HD1      LEU  23   8.345   1.724   0.128
  167   3HD1  LEU  23          3HD1      LEU  23   9.772   2.735   0.364
  168   1HD2  LEU  23          1HD2      LEU  23   7.594   4.595  -2.050
  169   2HD2  LEU  23          2HD2      LEU  23   8.190   4.604  -0.391
  170   3HD2  LEU  23          3HD2      LEU  23   6.909   3.488  -0.861
  171    H    CYS  24           H        CYS  24   7.972   2.500  -4.417
  172    HA   CYS  24           HA       CYS  24   9.365  -0.005  -5.089
  173   1HB   CYS  24          2HB       CYS  24   7.214  -1.133  -4.740
  174   2HB   CYS  24          1HB       CYS  24   7.711  -0.249  -3.301
  175    H    ASN  25           H        ASN  25   8.500  -1.252  -6.887
  176    HA   ASN  25           HA       ASN  25   7.481   0.492  -9.027
  177   1HB   ASN  25          2HB       ASN  25   9.772  -0.349  -9.399
  178   2HB   ASN  25          1HB       ASN  25   9.164  -1.996  -9.287
  179   1HD2  ASN  25          1HD2      ASN  25   8.151  -2.908 -11.007
  180   2HD2  ASN  25          2HD2      ASN  25   7.997  -2.139 -12.546
  181    H    SER  26           H        SER  26   6.757  -2.174  -7.073
  182    HA   SER  26           HA       SER  26   4.206  -2.547  -8.042
  183   1HB   SER  26          2HB       SER  26   6.228  -4.000  -9.550
  184   2HB   SER  26          1HB       SER  26   5.022  -5.075  -8.849
  185    HG   SER  26           HG       SER  26   3.449  -3.525  -9.784
  186    H    ASP  27           H        ASP  27   3.459  -4.956  -7.413
  187    HA   ASP  27           HA       ASP  27   3.495  -5.108  -4.664
  188   1HB   ASP  27          2HB       ASP  27   2.099  -6.380  -6.540
  189   2HB   ASP  27          1HB       ASP  27   3.248  -7.654  -6.160
  190    H    SER  28           H        SER  28   5.448  -7.013  -6.943
  191    HA   SER  28           HA       SER  28   6.905  -8.392  -4.947
  192   1HB   SER  28          2HB       SER  28   8.447  -8.989  -6.790
  193   2HB   SER  28          1HB       SER  28   6.760  -9.240  -7.236
  194    HG   SER  28           HG       SER  28   6.827  -7.292  -8.383
  195    H    GLY  29           H        GLY  29   7.103  -5.194  -6.155
  196   1HA   GLY  29          2HA       GLY  29   9.877  -4.772  -5.594
  197   2HA   GLY  29          1HA       GLY  29   8.694  -3.533  -5.959
  198    H    CYS  30           H        CYS  30   6.884  -4.311  -3.861
  199    HA   CYS  30           HA       CYS  30   8.055  -2.817  -1.725
  200   1HB   CYS  30          2HB       CYS  30   5.406  -4.082  -2.204
  201   2HB   CYS  30          1HB       CYS  30   5.826  -3.575  -0.574
  202    HA   PRO  31           HA       PRO  31   9.604  -6.145   0.607
  203   1HB   PRO  31          2HB       PRO  31  10.103  -4.921   2.934
  204   2HB   PRO  31          1HB       PRO  31  10.990  -4.507   1.462
  205   1HG   PRO  31          2HG       PRO  31   8.734  -3.066   2.784
  206   2HG   PRO  31          1HG       PRO  31  10.175  -2.408   1.993
  207   1HD   PRO  31          2HD       PRO  31   7.659  -2.603   0.833
  208   2HD   PRO  31          1HD       PRO  31   9.183  -2.424  -0.056
  209    H    ASN  32           H        ASN  32   9.415  -6.948   3.048
  210    HA   ASN  32           HA       ASN  32   8.124  -8.269   4.383
  211   1HB   ASN  32          2HB       ASN  32   6.743  -5.591   4.548
  212   2HB   ASN  32          1HB       ASN  32   6.332  -6.944   5.598
  213   1HD2  ASN  32          1HD2      ASN  32   8.618  -4.477   4.871
  214   2HD2  ASN  32          2HD2      ASN  32   9.641  -4.719   6.242
  215    H    VAL  33           H        VAL  33   5.199  -6.510   3.681
  216    HA   VAL  33           HA       VAL  33   4.280  -8.490   1.775
  217    HB   VAL  33           HB       VAL  33   2.162  -8.729   3.175
  218   1HG1  VAL  33          1HG1      VAL  33   4.746 -10.052   3.956
  219   2HG1  VAL  33          2HG1      VAL  33   3.569 -10.611   2.767
  220   3HG1  VAL  33          3HG1      VAL  33   3.158 -10.611   4.482
  221   1HG2  VAL  33          1HG2      VAL  33   3.798  -8.448   5.604
  222   2HG2  VAL  33          2HG2      VAL  33   2.089  -8.102   5.341
  223   3HG2  VAL  33          3HG2      VAL  33   3.313  -6.943   4.823
  224    H    GLN  34           H        GLN  34   4.712  -5.445   2.322
  225    HA   GLN  34           HA       GLN  34   2.124  -4.294   1.983
  226   1HB   GLN  34          2HB       GLN  34   4.933  -3.274   1.938
  227   2HB   GLN  34          1HB       GLN  34   3.596  -2.249   1.441
  228   1HG   GLN  34          2HG       GLN  34   2.556  -3.032   3.704
  229   2HG   GLN  34          1HG       GLN  34   4.234  -3.356   4.115
  230   1HE2  GLN  34          1HE2      GLN  34   5.433  -1.269   2.713
  231   2HE2  GLN  34          2HE2      GLN  34   4.995   0.222   3.461
  232    H    LYS  35           H        LYS  35   1.207  -3.443   0.131
  233    HA   LYS  35           HA       LYS  35   2.177  -4.551  -2.358
  234   1HB   LYS  35          2HB       LYS  35  -0.372  -3.577  -1.276
  235   2HB   LYS  35          1HB       LYS  35  -0.092  -3.142  -2.951
  236   1HG   LYS  35          2HG       LYS  35  -1.315  -5.206  -2.852
  237   2HG   LYS  35          1HG       LYS  35   0.308  -5.521  -3.470
  238   1HD   LYS  35          2HD       LYS  35   1.024  -6.355  -1.336
  239   2HD   LYS  35          1HD       LYS  35  -0.501  -5.877  -0.588
  240   1HE   LYS  35          2HE       LYS  35  -1.704  -7.487  -1.934
  241   2HE   LYS  35          1HE       LYS  35  -0.224  -7.910  -2.791
  242   1HZ   LYS  35          1HZ       LYS  35  -1.053  -8.600  -0.065
  243   2HZ   LYS  35          2HZ       LYS  35   0.600  -8.433  -0.385
  244   3HZ   LYS  35          3HZ       LYS  35  -0.316  -9.566  -1.244
  245    H    CYS  36           H        CYS  36   1.919  -3.048  -4.324
  246    HA   CYS  36           HA       CYS  36   3.097  -0.437  -3.644
  247   1HB   CYS  36          2HB       CYS  36   4.588  -2.082  -4.855
  248   2HB   CYS  36          1HB       CYS  36   3.498  -1.950  -6.231
  249    H    CYS  37           H        CYS  37   1.417   0.945  -3.709
  250    HA   CYS  37           HA       CYS  37  -0.105   1.077  -6.225
  251   1HB   CYS  37          2HB       CYS  37  -1.227   0.255  -3.898
  252   2HB   CYS  37          1HB       CYS  37  -1.495   1.988  -3.782
  253    H    LYS  38           H        LYS  38  -1.495   3.299  -5.976
  254    HA   LYS  38           HA       LYS  38   0.534   5.380  -5.495
  255   1HB   LYS  38          2HB       LYS  38  -0.484   4.854  -7.876
  256   2HB   LYS  38          1HB       LYS  38  -1.812   5.843  -7.285
  257   1HG   LYS  38          2HG       LYS  38  -0.645   7.744  -7.471
  258   2HG   LYS  38          1HG       LYS  38   0.842   7.009  -6.870
  259   1HD   LYS  38          2HD       LYS  38   1.468   7.386  -9.031
  260   2HD   LYS  38          1HD       LYS  38   0.746   5.787  -9.223
  261   1HE   LYS  38          2HE       LYS  38  -1.437   7.312  -9.559
  262   2HE   LYS  38          1HE       LYS  38  -0.205   8.431 -10.143
  263   1HZ   LYS  38          1HZ       LYS  38  -0.755   7.277 -12.036
  264   2HZ   LYS  38          2HZ       LYS  38  -0.995   5.812 -11.226
  265   3HZ   LYS  38          3HZ       LYS  38   0.575   6.381 -11.494
  266    H    ASN  39           H        ASN  39  -0.393   5.121  -3.226
  267    HA   ASN  39           HA       ASN  39  -2.982   6.362  -2.814
  268   1HB   ASN  39          2HB       ASN  39  -2.486   5.964  -0.397
  269   2HB   ASN  39          1HB       ASN  39  -2.435   4.503  -1.380
  270   1HD2  ASN  39          1HD2      ASN  39  -0.800   3.219  -0.978
  271   2HD2  ASN  39          2HD2      ASN  39   0.745   3.688  -0.365
  272    H    GLY  40           H        GLY  40  -3.265   8.212  -1.402
  273   1HA   GLY  40          2HA       GLY  40  -2.771  10.325  -0.632
  274   2HA   GLY  40          1HA       GLY  40  -1.072   9.878  -0.672
  275    H    CYS  41           H        CYS  41  -0.140  11.572  -1.672
  276    HA   CYS  41           HA       CYS  41  -1.260  13.131  -3.690
  277   1HB   CYS  41          2HB       CYS  41   1.137  13.791  -4.123
  278   2HB   CYS  41          1HB       CYS  41   0.591  13.987  -2.466
  279    H    GLY  42           H        GLY  42   0.878  10.307  -3.879
  280   1HA   GLY  42          2HA       GLY  42  -0.074   9.075  -6.065
  281   2HA   GLY  42          1HA       GLY  42   0.867  10.375  -6.780
  282    H    PHE  43           H        PHE  43   2.462   9.166  -7.703
  283    HA   PHE  43           HA       PHE  43   4.395   7.979  -7.860
  284   1HB   PHE  43          2HB       PHE  43   4.564   8.689  -4.925
  285   2HB   PHE  43          1HB       PHE  43   5.874   7.951  -5.841
  286    HD1  PHE  43           1HD      PHE  43   5.284  10.816  -4.389
  287    HD2  PHE  43           2HD      PHE  43   5.771   9.400  -8.372
  288    HE1  PHE  43           1HE      PHE  43   6.047  13.049  -5.085
  289    HE2  PHE  43           2HE      PHE  43   6.536  11.629  -9.075
  290    HZ   PHE  43           HZ       PHE  43   6.675  13.457  -7.431
  291    H    MET  44           H        MET  44   5.474   5.947  -7.211
  292    HA   MET  44           HA       MET  44   3.469   3.992  -6.423
  293   1HB   MET  44          2HB       MET  44   6.177   3.823  -7.712
  294   2HB   MET  44          1HB       MET  44   5.412   2.388  -7.043
  295   1HG   MET  44          2HG       MET  44   3.743   4.014  -8.842
  296   2HG   MET  44          1HG       MET  44   5.119   3.201  -9.584
  297   1HE   MET  44          1HE       MET  44   2.598   1.469 -10.976
  298   2HE   MET  44          2HE       MET  44   2.298   3.058 -10.272
  299   3HE   MET  44          3HE       MET  44   1.335   1.672  -9.763
  300    H    THR  45           H        THR  45   3.297   4.262  -4.205
  301    HA   THR  45           HA       THR  45   5.720   3.713  -2.628
  302    HB   THR  45           HB       THR  45   4.488   4.697  -0.723
  303    HG1  THR  45           1HG      THR  45   2.430   4.952  -0.885
  304   1HG2  THR  45          1HG2      THR  45   5.852   6.128  -2.312
  305   2HG2  THR  45          2HG2      THR  45   4.662   6.953  -1.305
  306   3HG2  THR  45          3HG2      THR  45   4.309   6.632  -3.002
  307    H    CYS  46           H        CYS  46   5.169   2.572  -0.474
  308    HA   CYS  46           HA       CYS  46   3.716   0.151  -1.174
  309   1HB   CYS  46          2HB       CYS  46   5.614   0.790   1.077
  310   2HB   CYS  46          1HB       CYS  46   4.754  -0.737   0.947
  311    H    THR  47           H        THR  47   2.068  -0.709   0.037
  312    HA   THR  47           HA       THR  47   0.985   0.884   2.238
  313    HB   THR  47           HB       THR  47  -0.141   1.621   0.147
  314    HG1  THR  47           1HG      THR  47  -2.114   1.604   1.062
  315   1HG2  THR  47          1HG2      THR  47  -1.613  -0.954   0.011
  316   2HG2  THR  47          2HG2      THR  47  -0.060  -0.813  -0.814
  317   3HG2  THR  47          3HG2      THR  47  -1.379   0.284  -1.222
  318    H    THR  48           H        THR  48  -1.252  -0.420   2.855
  319    HA   THR  48           HA       THR  48  -0.265  -2.965   3.786
  320    HB   THR  48           HB       THR  48  -2.954  -1.664   4.193
  321    HG1  THR  48           1HG      THR  48  -1.840  -0.405   5.433
  322   1HG2  THR  48          1HG2      THR  48  -2.645  -4.203   4.642
  323   2HG2  THR  48          2HG2      THR  48  -3.449  -3.182   5.834
  324   3HG2  THR  48          3HG2      THR  48  -1.763  -3.646   6.064
  325    HA   PRO  49           HA       PRO  49  -2.055  -5.354   0.502
  326   1HB   PRO  49          2HB       PRO  49  -2.035  -7.793   1.686
  327   2HB   PRO  49          1HB       PRO  49  -0.569  -7.011   1.084
  328   1HG   PRO  49          2HG       PRO  49  -1.632  -7.146   3.881
  329   2HG   PRO  49          1HG       PRO  49   0.031  -7.361   3.305
  330   1HD   PRO  49          2HD       PRO  49  -0.839  -5.046   4.404
  331   2HD   PRO  49          1HD       PRO  49   0.399  -5.091   3.135
  332    H    VAL  50           H        VAL  50  -4.121  -5.474  -0.079
  333    HA   VAL  50           HA       VAL  50  -6.097  -6.474   1.832
  334    HB   VAL  50           HB       VAL  50  -6.694  -4.085   0.156
  335   1HG1  VAL  50          1HG1      VAL  50  -8.337  -3.960   2.284
  336   2HG1  VAL  50          2HG1      VAL  50  -8.123  -5.706   2.147
  337   3HG1  VAL  50          3HG1      VAL  50  -8.743  -4.783   0.778
  338   1HG2  VAL  50          1HG2      VAL  50  -4.963  -3.307   1.574
  339   2HG2  VAL  50          2HG2      VAL  50  -5.624  -4.173   2.961
  340   3HG2  VAL  50          3HG2      VAL  50  -6.479  -2.778   2.304
  341    HA   PRO  51           HA       PRO  51  -6.795  -8.671  -2.086
  342   1HB   PRO  51          2HB       PRO  51  -8.223 -10.703  -0.991
  343   2HB   PRO  51          1HB       PRO  51  -6.457 -10.649  -0.968
  344   1HG   PRO  51          2HG       PRO  51  -8.403  -9.912   1.185
  345   2HG   PRO  51          1HG       PRO  51  -6.890 -10.829   1.311
  346   1HD   PRO  51          2HD       PRO  51  -7.065  -8.212   1.978
  347   2HD   PRO  51          1HD       PRO  51  -5.589  -8.924   1.295
  Start of MODEL    5
    1   1H    ASN   1          1HT       ASN   1   5.184  -8.418  -8.517
    2   2H    ASN   1          2HT       ASN   1   5.272 -10.133  -8.493
    3   3H    ASN   1          3HT       ASN   1   4.445  -9.296  -7.243
    4    HA   ASN   1           HA       ASN   1   2.954  -8.409  -9.002
    5   1HB   ASN   1          2HB       ASN   1   4.859  -9.651 -10.616
    6   2HB   ASN   1          1HB       ASN   1   3.460 -10.716 -10.708
    7   1HD2  ASN   1          1HD2      ASN   1   2.512 -10.299 -12.573
    8   2HD2  ASN   1          2HD2      ASN   1   2.082  -8.732 -13.161
    9    H    GLU   2           H        GLU   2   1.183  -9.005  -7.944
   10    HA   GLU   2           HA       GLU   2  -0.450 -10.268  -6.991
   11   1HB   GLU   2          2HB       GLU   2   0.643 -12.061  -9.109
   12   2HB   GLU   2          1HB       GLU   2  -0.461 -12.753  -7.928
   13   1HG   GLU   2          2HG       GLU   2  -2.156 -11.997  -9.122
   14   2HG   GLU   2          1HG       GLU   2  -1.632 -10.348  -8.777
   15    H    LYS   3           H        LYS   3   0.552 -10.145  -4.934
   16    HA   LYS   3           HA       LYS   3   2.173 -12.443  -4.123
   17   1HB   LYS   3          2HB       LYS   3   2.300  -9.726  -3.507
   18   2HB   LYS   3          1HB       LYS   3   1.672 -10.475  -2.047
   19   1HG   LYS   3          2HG       LYS   3   3.579 -12.026  -2.045
   20   2HG   LYS   3          1HG       LYS   3   4.219 -11.211  -3.474
   21   1HD   LYS   3          2HD       LYS   3   3.554  -9.484  -1.171
   22   2HD   LYS   3          1HD       LYS   3   4.927 -10.573  -0.958
   23   1HE   LYS   3          2HE       LYS   3   5.117  -9.373  -3.533
   24   2HE   LYS   3          1HE       LYS   3   4.825  -8.102  -2.347
   25   1HZ   LYS   3          1HZ       LYS   3   6.821  -8.415  -1.390
   26   2HZ   LYS   3          2HZ       LYS   3   7.235  -9.072  -2.893
   27   3HZ   LYS   3          3HZ       LYS   3   6.809 -10.091  -1.613
   28    H    SER   4           H        SER   4  -0.638 -10.599  -2.940
   29    HA   SER   4           HA       SER   4  -1.880 -13.087  -2.076
   30   1HB   SER   4          2HB       SER   4  -1.012 -10.893  -0.221
   31   2HB   SER   4          1HB       SER   4  -2.443 -11.850   0.158
   32    HG   SER   4           HG       SER   4   0.243 -12.655  -0.033
   33    H    GLY   5           H        GLY   5  -2.426  -9.623  -1.423
   34   1HA   GLY   5          2HA       GLY   5  -5.131  -9.949  -2.543
   35   2HA   GLY   5          1HA       GLY   5  -4.670  -8.743  -1.352
   36    H    SER   6           H        SER   6  -5.045  -6.855  -2.312
   37    HA   SER   6           HA       SER   6  -3.469  -6.173  -4.648
   38   1HB   SER   6          2HB       SER   6  -6.084  -6.956  -5.045
   39   2HB   SER   6          1HB       SER   6  -6.218  -5.201  -4.947
   40    HG   SER   6           HG       SER   6  -5.453  -5.146  -6.889
   41    H    CYS   7           H        CYS   7  -4.674  -3.725  -5.193
   42    HA   CYS   7           HA       CYS   7  -3.616  -2.131  -3.073
   43   1HB   CYS   7          2HB       CYS   7  -3.414  -1.466  -5.434
   44   2HB   CYS   7          1HB       CYS   7  -5.164  -1.307  -5.540
   45    HA   PRO   8           HA       PRO   8  -7.364  -1.752  -0.715
   46   1HB   PRO   8          2HB       PRO   8  -6.687   0.393   0.802
   47   2HB   PRO   8          1HB       PRO   8  -6.031  -1.224   1.080
   48   1HG   PRO   8          2HG       PRO   8  -4.801   1.099  -0.353
   49   2HG   PRO   8          1HG       PRO   8  -4.057  -0.026   0.799
   50   1HD   PRO   8          2HD       PRO   8  -3.730  -0.255  -1.878
   51   2HD   PRO   8          1HD       PRO   8  -3.760  -1.661  -0.798
   52    H    ASP   9           H        ASP   9  -5.963   1.248  -2.033
   53    HA   ASP   9           HA       ASP   9  -6.905   3.061  -3.031
   54   1HB   ASP   9          2HB       ASP   9  -8.376   0.797  -3.955
   55   2HB   ASP   9          1HB       ASP   9  -9.510   2.123  -3.715
   56    H    MET  10           H        MET  10  -9.390   4.142  -3.127
   57    HA   MET  10           HA       MET  10 -10.856   5.397  -1.922
   58   1HB   MET  10          2HB       MET  10 -11.334   2.837  -1.198
   59   2HB   MET  10          1HB       MET  10 -10.923   3.523   0.367
   60   1HG   MET  10          2HG       MET  10 -13.084   4.052   0.473
   61   2HG   MET  10          1HG       MET  10 -12.648   5.386  -0.592
   62   1HE   MET  10          1HE       MET  10 -15.254   5.484  -1.223
   63   2HE   MET  10          2HE       MET  10 -15.621   4.051  -0.262
   64   3HE   MET  10          3HE       MET  10 -16.137   4.139  -1.947
   65    H    SER  11           H        SER  11 -11.234   5.934   0.711
   66    HA   SER  11           HA       SER  11  -9.423   7.803   1.379
   67   1HB   SER  11          2HB       SER  11 -11.674   6.893   2.552
   68   2HB   SER  11          1HB       SER  11 -10.474   6.305   3.704
   69    HG   SER  11           HG       SER  11 -11.446   8.716   3.561
   70    H    MET  12           H        MET  12  -7.656   7.968   2.842
   71    HA   MET  12           HA       MET  12  -6.429   5.565   3.869
   72   1HB   MET  12          2HB       MET  12  -4.247   6.088   2.670
   73   2HB   MET  12          1HB       MET  12  -5.523   5.366   1.699
   74   1HG   MET  12          2HG       MET  12  -5.202   7.007   0.250
   75   2HG   MET  12          1HG       MET  12  -5.945   8.084   1.430
   76   1HE   MET  12          1HE       MET  12  -3.421  10.606   2.014
   77   2HE   MET  12          2HE       MET  12  -5.066   9.994   2.178
   78   3HE   MET  12          3HE       MET  12  -4.425  10.383   0.581
   79    HA   PRO  13           HA       PRO  13  -5.753   9.216   6.576
   80   1HB   PRO  13          2HB       PRO  13  -5.465   7.058   8.576
   81   2HB   PRO  13          1HB       PRO  13  -6.498   8.489   8.609
   82   1HG   PRO  13          2HG       PRO  13  -7.520   6.049   8.215
   83   2HG   PRO  13          1HG       PRO  13  -8.173   7.471   7.379
   84   1HD   PRO  13          2HD       PRO  13  -6.333   5.343   6.348
   85   2HD   PRO  13          1HD       PRO  13  -7.711   6.125   5.545
   86    H    ILE  14           H        ILE  14  -3.701   9.186   5.226
   87    HA   ILE  14           HA       ILE  14  -1.461   8.493   6.982
   88    HB   ILE  14           HB       ILE  14  -1.374   7.938   4.019
   89   1HG1  ILE  14          2HG1      ILE  14  -2.976   6.422   5.130
   90   2HG1  ILE  14          1HG1      ILE  14  -1.543   5.564   4.573
   91   1HG2  ILE  14          1HG2      ILE  14   0.487   6.651   5.908
   92   2HG2  ILE  14          2HG2      ILE  14   0.682   8.391   5.691
   93   3HG2  ILE  14          3HG2      ILE  14   0.775   7.313   4.299
   94   1HD1  ILE  14          1HD1      ILE  14  -1.262   6.497   7.298
   95   2HD1  ILE  14          2HD1      ILE  14  -1.053   4.880   6.625
   96   3HD1  ILE  14          3HD1      ILE  14  -2.659   5.442   7.087
   97    HA   PRO  15           HA       PRO  15  -1.206  12.968   5.880
   98   1HB   PRO  15          2HB       PRO  15   1.022  12.504   7.821
   99   2HB   PRO  15          1HB       PRO  15  -0.113  13.855   7.717
  100   1HG   PRO  15          2HG       PRO  15  -0.440  11.957   9.550
  101   2HG   PRO  15          1HG       PRO  15  -1.835  12.659   8.710
  102   1HD   PRO  15          2HD       PRO  15  -0.562   9.994   8.366
  103   2HD   PRO  15          1HD       PRO  15  -2.257  10.474   8.153
  104    HA   PRO  16           HA       PRO  16   2.236  11.822   3.118
  105   1HB   PRO  16          2HB       PRO  16   1.346  13.061   0.928
  106   2HB   PRO  16          1HB       PRO  16   0.618  11.545   1.476
  107   1HG   PRO  16          2HG       PRO  16  -0.372  14.348   1.792
  108   2HG   PRO  16          1HG       PRO  16  -1.281  12.874   1.413
  109   1HD   PRO  16          2HD       PRO  16  -1.089  14.023   3.930
  110   2HD   PRO  16          1HD       PRO  16  -1.525  12.334   3.614
  111    H    LEU  17           H        LEU  17   2.625  13.805   5.043
  112    HA   LEU  17           HA       LEU  17   3.251  16.303   3.742
  113   1HB   LEU  17          2HB       LEU  17   2.494  15.937   6.180
  114   2HB   LEU  17          1HB       LEU  17   4.163  15.492   6.486
  115    HG   LEU  17           HG       LEU  17   4.515  17.867   5.223
  116   1HD1  LEU  17          1HD1      LEU  17   2.314  18.637   7.019
  117   2HD1  LEU  17          2HD1      LEU  17   1.835  17.893   5.493
  118   3HD1  LEU  17          3HD1      LEU  17   2.838  19.344   5.491
  119   1HD2  LEU  17          1HD2      LEU  17   5.360  18.554   7.212
  120   2HD2  LEU  17          2HD2      LEU  17   5.148  16.848   7.605
  121   3HD2  LEU  17          3HD2      LEU  17   3.944  18.030   8.123
  122    H    GLY  18           H        GLY  18   5.009  13.485   4.930
  123   1HA   GLY  18          2HA       GLY  18   7.478  14.634   3.782
  124   2HA   GLY  18          1HA       GLY  18   7.452  13.506   5.128
  125    H    ILE  19           H        ILE  19   5.244  12.892   2.568
  126    HA   ILE  19           HA       ILE  19   7.077  10.907   1.405
  127    HB   ILE  19           HB       ILE  19   4.150  10.366   1.882
  128   1HG1  ILE  19          2HG1      ILE  19   5.144   8.738   3.645
  129   2HG1  ILE  19          1HG1      ILE  19   6.550   9.797   3.602
  130   1HG2  ILE  19          1HG2      ILE  19   6.398   8.923   0.640
  131   2HG2  ILE  19          2HG2      ILE  19   4.668   8.835   0.312
  132   3HG2  ILE  19          3HG2      ILE  19   5.350   7.963   1.684
  133   1HD1  ILE  19          1HD1      ILE  19   4.205  11.387   3.881
  134   2HD1  ILE  19          2HD1      ILE  19   5.562  11.197   4.992
  135   3HD1  ILE  19          3HD1      ILE  19   4.185  10.101   5.087
  136    H    CYS  20           H        CYS  20   7.342  12.558  -0.252
  137    HA   CYS  20           HA       CYS  20   5.092  12.569  -2.156
  138   1HB   CYS  20          2HB       CYS  20   6.986  14.777  -1.393
  139   2HB   CYS  20          1HB       CYS  20   6.167  14.784  -2.951
  140    H    LYS  21           H        LYS  21   7.057  10.570  -2.111
  141    HA   LYS  21           HA       LYS  21   8.177  10.934  -4.767
  142   1HB   LYS  21          2HB       LYS  21   9.870  11.661  -2.944
  143   2HB   LYS  21          1HB       LYS  21  10.015   9.941  -2.609
  144   1HG   LYS  21          2HG       LYS  21  11.264   9.575  -4.422
  145   2HG   LYS  21          1HG       LYS  21  10.251  10.597  -5.442
  146   1HD   LYS  21          2HD       LYS  21  11.363  12.551  -4.137
  147   2HD   LYS  21          1HD       LYS  21  12.591  11.349  -3.735
  148   1HE   LYS  21          2HE       LYS  21  13.404  12.383  -5.669
  149   2HE   LYS  21          1HE       LYS  21  12.692  10.876  -6.244
  150   1HZ   LYS  21          1HZ       LYS  21  12.174  13.221  -7.343
  151   2HZ   LYS  21          2HZ       LYS  21  10.941  13.201  -6.186
  152   3HZ   LYS  21          3HZ       LYS  21  11.050  11.956  -7.325
  153    H    THR  22           H        THR  22   9.017   8.901  -5.672
  154    HA   THR  22           HA       THR  22   7.341   6.682  -4.840
  155    HB   THR  22           HB       THR  22   7.403   7.176  -7.199
  156    HG1  THR  22           1HG      THR  22   8.965   4.847  -6.836
  157   1HG2  THR  22          1HG2      THR  22   9.729   6.484  -8.304
  158   2HG2  THR  22          2HG2      THR  22  10.324   7.207  -6.810
  159   3HG2  THR  22          3HG2      THR  22   9.308   8.148  -7.903
  160    H    LEU  23           H        LEU  23   8.306   4.452  -4.861
  161    HA   LEU  23           HA       LEU  23  11.094   4.274  -4.112
  162   1HB   LEU  23          2HB       LEU  23   9.083   4.501  -2.149
  163   2HB   LEU  23          1HB       LEU  23   9.697   2.864  -2.100
  164    HG   LEU  23           HG       LEU  23  11.937   4.599  -2.255
  165   1HD1  LEU  23          1HD1      LEU  23  11.635   6.267  -0.775
  166   2HD1  LEU  23          2HD1      LEU  23  10.538   5.323   0.232
  167   3HD1  LEU  23          3HD1      LEU  23   9.942   6.093  -1.237
  168   1HD2  LEU  23          1HD2      LEU  23  12.699   3.288  -0.578
  169   2HD2  LEU  23          2HD2      LEU  23  11.327   2.285  -1.047
  170   3HD2  LEU  23          3HD2      LEU  23  11.190   3.380   0.329
  171    H    CYS  24           H        CYS  24   7.990   2.580  -4.324
  172    HA   CYS  24           HA       CYS  24   9.410   0.127  -5.074
  173   1HB   CYS  24          2HB       CYS  24   7.240  -1.000  -4.723
  174   2HB   CYS  24          1HB       CYS  24   7.778  -0.135  -3.288
  175    H    ASN  25           H        ASN  25   8.596  -1.145  -6.863
  176    HA   ASN  25           HA       ASN  25   7.525   0.552  -9.018
  177   1HB   ASN  25          2HB       ASN  25   9.666  -1.496  -8.943
  178   2HB   ASN  25          1HB       ASN  25   8.635  -1.503 -10.370
  179   1HD2  ASN  25          1HD2      ASN  25   9.186  -0.206 -11.963
  180   2HD2  ASN  25          2HD2      ASN  25  10.233   1.163 -11.843
  181    H    SER  26           H        SER  26   6.893  -2.137  -7.050
  182    HA   SER  26           HA       SER  26   4.340  -2.574  -7.977
  183   1HB   SER  26          2HB       SER  26   6.366  -3.940  -9.552
  184   2HB   SER  26          1HB       SER  26   5.223  -5.071  -8.832
  185    HG   SER  26           HG       SER  26   4.681  -2.885 -10.545
  186    H    ASP  27           H        ASP  27   3.674  -5.015  -7.369
  187    HA   ASP  27           HA       ASP  27   3.733  -5.211  -4.632
  188   1HB   ASP  27          2HB       ASP  27   2.396  -6.533  -6.501
  189   2HB   ASP  27          1HB       ASP  27   3.630  -7.742  -6.180
  190    H    SER  28           H        SER  28   5.734  -7.087  -6.903
  191    HA   SER  28           HA       SER  28   7.282  -8.365  -4.929
  192   1HB   SER  28          2HB       SER  28   7.035  -8.696  -7.588
  193   2HB   SER  28          1HB       SER  28   8.550  -7.794  -7.553
  194    HG   SER  28           HG       SER  28   9.524  -9.436  -6.614
  195    H    GLY  29           H        GLY  29   7.334  -5.156  -6.140
  196   1HA   GLY  29          2HA       GLY  29  10.077  -4.592  -5.588
  197   2HA   GLY  29          1HA       GLY  29   8.823  -3.412  -5.909
  198    H    CYS  30           H        CYS  30   7.083  -4.266  -3.817
  199    HA   CYS  30           HA       CYS  30   8.311  -2.850  -1.638
  200   1HB   CYS  30          2HB       CYS  30   5.591  -3.894  -2.216
  201   2HB   CYS  30          1HB       CYS  30   6.003  -3.499  -0.554
  202    HA   PRO  31           HA       PRO  31   9.758  -6.345   0.519
  203   1HB   PRO  31          2HB       PRO  31   9.806  -4.829   2.995
  204   2HB   PRO  31          1HB       PRO  31  11.158  -5.357   1.992
  205   1HG   PRO  31          2HG       PRO  31  10.402  -2.750   2.248
  206   2HG   PRO  31          1HG       PRO  31  11.217  -3.400   0.815
  207   1HD   PRO  31          2HD       PRO  31   8.317  -2.799   1.241
  208   2HD   PRO  31          1HD       PRO  31   9.325  -2.552  -0.201
  209    H    ASN  32           H        ASN  32   9.461  -7.274   2.912
  210    HA   ASN  32           HA       ASN  32   8.102  -8.614   4.144
  211   1HB   ASN  32          2HB       ASN  32   6.730  -5.936   4.325
  212   2HB   ASN  32          1HB       ASN  32   6.230  -7.325   5.285
  213   1HD2  ASN  32          1HD2      ASN  32   8.765  -5.011   4.692
  214   2HD2  ASN  32          2HD2      ASN  32   9.619  -5.270   6.171
  215    H    VAL  33           H        VAL  33   5.255  -6.790   3.283
  216    HA   VAL  33           HA       VAL  33   4.441  -8.641   1.224
  217    HB   VAL  33           HB       VAL  33   3.885  -9.882   3.288
  218   1HG1  VAL  33          1HG1      VAL  33   1.702  -8.016   3.986
  219   2HG1  VAL  33          2HG1      VAL  33   3.337  -7.522   4.427
  220   3HG1  VAL  33          3HG1      VAL  33   2.689  -9.051   5.019
  221   1HG2  VAL  33          1HG2      VAL  33   1.872 -10.645   2.505
  222   2HG2  VAL  33          2HG2      VAL  33   2.437  -9.748   1.096
  223   3HG2  VAL  33          3HG2      VAL  33   1.256  -9.023   2.186
  224    H    GLN  34           H        GLN  34   4.829  -5.708   1.851
  225    HA   GLN  34           HA       GLN  34   2.201  -4.559   1.628
  226   1HB   GLN  34          2HB       GLN  34   4.983  -3.449   1.649
  227   2HB   GLN  34          1HB       GLN  34   3.575  -2.442   1.337
  228   1HG   GLN  34          2HG       GLN  34   2.664  -3.500   3.519
  229   2HG   GLN  34          1HG       GLN  34   4.354  -3.874   3.824
  230   1HE2  GLN  34          1HE2      GLN  34   5.520  -1.627   2.684
  231   2HE2  GLN  34          2HE2      GLN  34   5.108  -0.247   3.631
  232    H    LYS  35           H        LYS  35   1.296  -3.612  -0.186
  233    HA   LYS  35           HA       LYS  35   2.357  -4.526  -2.715
  234   1HB   LYS  35          2HB       LYS  35  -0.244  -3.657  -1.644
  235   2HB   LYS  35          1HB       LYS  35   0.070  -3.170  -3.299
  236   1HG   LYS  35          2HG       LYS  35  -1.139  -5.309  -3.130
  237   2HG   LYS  35          1HG       LYS  35   0.409  -5.460  -3.963
  238   1HD   LYS  35          2HD       LYS  35   1.365  -6.656  -2.260
  239   2HD   LYS  35          1HD       LYS  35   0.349  -5.913  -1.025
  240   1HE   LYS  35          2HE       LYS  35  -1.574  -7.204  -1.884
  241   2HE   LYS  35          1HE       LYS  35  -0.497  -7.992  -3.034
  242   1HZ   LYS  35          1HZ       LYS  35   0.613  -8.226  -0.470
  243   2HZ   LYS  35          2HZ       LYS  35   0.043  -9.454  -1.483
  244   3HZ   LYS  35          3HZ       LYS  35  -1.006  -8.710  -0.385
  245    H    CYS  36           H        CYS  36   2.045  -2.884  -4.588
  246    HA   CYS  36           HA       CYS  36   3.205  -0.322  -3.719
  247   1HB   CYS  36          2HB       CYS  36   4.658  -1.880  -5.108
  248   2HB   CYS  36          1HB       CYS  36   3.553  -1.575  -6.444
  249    H    CYS  37           H        CYS  37   1.529   1.062  -3.643
  250    HA   CYS  37           HA       CYS  37   0.005   1.449  -6.125
  251   1HB   CYS  37          2HB       CYS  37  -1.140   0.267  -3.986
  252   2HB   CYS  37          1HB       CYS  37  -1.443   1.952  -3.593
  253    H    LYS  38           H        LYS  38  -1.455   3.578  -5.612
  254    HA   LYS  38           HA       LYS  38   0.527   5.656  -5.218
  255   1HB   LYS  38          2HB       LYS  38  -1.032   5.659  -7.168
  256   2HB   LYS  38          1HB       LYS  38  -2.362   5.933  -6.053
  257   1HG   LYS  38          2HG       LYS  38  -2.017   8.108  -6.300
  258   2HG   LYS  38          1HG       LYS  38  -0.491   7.905  -5.439
  259   1HD   LYS  38          2HD       LYS  38   0.755   7.922  -7.360
  260   2HD   LYS  38          1HD       LYS  38  -0.559   7.277  -8.346
  261   1HE   LYS  38          2HE       LYS  38  -1.485   9.330  -8.702
  262   2HE   LYS  38          1HE       LYS  38  -0.924   9.971  -7.158
  263   1HZ   LYS  38          1HZ       LYS  38   0.150  10.641  -9.483
  264   2HZ   LYS  38          2HZ       LYS  38   1.134   9.319  -9.106
  265   3HZ   LYS  38          3HZ       LYS  38   1.029  10.624  -8.037
  266    H    ASN  39           H        ASN  39  -2.516   6.879  -4.474
  267    HA   ASN  39           HA       ASN  39  -3.483   7.662  -2.575
  268   1HB   ASN  39          2HB       ASN  39  -1.952   5.477  -1.149
  269   2HB   ASN  39          1HB       ASN  39  -3.382   6.321  -0.562
  270   1HD2  ASN  39          1HD2      ASN  39  -5.191   5.239  -0.756
  271   2HD2  ASN  39          2HD2      ASN  39  -5.544   4.040  -1.949
  272    H    GLY  40           H        GLY  40  -3.016   9.419  -1.405
  273   1HA   GLY  40          2HA       GLY  40  -1.796  10.785   0.051
  274   2HA   GLY  40          1HA       GLY  40  -0.437   9.679  -0.085
  275    H    CYS  41           H        CYS  41   1.115  11.208  -0.514
  276    HA   CYS  41           HA       CYS  41   0.731  12.912  -2.868
  277   1HB   CYS  41          2HB       CYS  41   1.433  14.054  -0.820
  278   2HB   CYS  41          1HB       CYS  41   2.842  13.007  -0.704
  279    H    GLY  42           H        GLY  42   2.677  10.300  -1.604
  280   1HA   GLY  42          2HA       GLY  42   4.758  10.372  -3.509
  281   2HA   GLY  42          1HA       GLY  42   4.276   8.966  -2.574
  282    H    PHE  43           H        PHE  43   5.117   9.173  -5.380
  283    HA   PHE  43           HA       PHE  43   2.808   8.790  -7.021
  284   1HB   PHE  43          2HB       PHE  43   5.603   7.883  -7.692
  285   2HB   PHE  43          1HB       PHE  43   4.321   8.368  -8.797
  286    HD1  PHE  43           1HD      PHE  43   7.054   9.473  -6.709
  287    HD2  PHE  43           2HD      PHE  43   3.703  10.756  -8.994
  288    HE1  PHE  43           1HE      PHE  43   7.949  11.764  -6.725
  289    HE2  PHE  43           2HE      PHE  43   4.592  13.051  -9.016
  290    HZ   PHE  43           HZ       PHE  43   6.717  13.557  -7.881
  291    H    MET  44           H        MET  44   5.440   6.520  -6.212
  292    HA   MET  44           HA       MET  44   3.426   4.377  -6.080
  293   1HB   MET  44          2HB       MET  44   6.149   4.275  -7.386
  294   2HB   MET  44          1HB       MET  44   5.168   2.853  -7.056
  295   1HG   MET  44          2HG       MET  44   3.940   5.068  -8.601
  296   2HG   MET  44          1HG       MET  44   5.143   4.057  -9.400
  297   1HE   MET  44          1HE       MET  44   1.339   4.360  -9.061
  298   2HE   MET  44          2HE       MET  44   1.933   4.231  -7.406
  299   3HE   MET  44          3HE       MET  44   0.927   2.951  -8.084
  300    H    THR  45           H        THR  45   3.368   4.368  -3.846
  301    HA   THR  45           HA       THR  45   5.883   3.636  -2.495
  302    HB   THR  45           HB       THR  45   4.579   4.413  -0.403
  303    HG1  THR  45           1HG      THR  45   2.552   4.664  -1.260
  304   1HG2  THR  45          1HG2      THR  45   6.460   5.676  -1.429
  305   2HG2  THR  45          2HG2      THR  45   5.251   6.683  -0.631
  306   3HG2  THR  45          3HG2      THR  45   5.273   6.558  -2.390
  307    H    CYS  46           H        CYS  46   5.266   2.449  -0.298
  308    HA   CYS  46           HA       CYS  46   3.871   0.052  -1.126
  309   1HB   CYS  46          2HB       CYS  46   5.479   0.705   1.344
  310   2HB   CYS  46          1HB       CYS  46   4.701  -0.847   1.066
  311    H    THR  47           H        THR  47   2.118  -0.845  -0.086
  312    HA   THR  47           HA       THR  47   0.772   0.753   1.966
  313    HB   THR  47           HB       THR  47  -0.986  -0.338  -0.156
  314    HG1  THR  47           1HG      THR  47   0.718   1.888  -0.552
  315   1HG2  THR  47          1HG2      THR  47  -0.947   2.072   1.603
  316   2HG2  THR  47          2HG2      THR  47  -2.191   0.835   1.419
  317   3HG2  THR  47          3HG2      THR  47  -1.948   2.038   0.152
  318    H    THR  48           H        THR  48  -1.344  -0.506   2.622
  319    HA   THR  48           HA       THR  48  -0.452  -3.109   3.475
  320    HB   THR  48           HB       THR  48  -3.064  -1.690   3.974
  321    HG1  THR  48           1HG      THR  48  -2.137  -0.834   5.698
  322   1HG2  THR  48          1HG2      THR  48  -1.850  -3.948   5.537
  323   2HG2  THR  48          2HG2      THR  48  -3.160  -4.132   4.370
  324   3HG2  THR  48          3HG2      THR  48  -3.401  -3.158   5.821
  325    HA   PRO  49           HA       PRO  49  -2.457  -5.280   0.148
  326   1HB   PRO  49          2HB       PRO  49  -2.292  -7.789   1.142
  327   2HB   PRO  49          1HB       PRO  49  -0.888  -6.928   0.501
  328   1HG   PRO  49          2HG       PRO  49  -1.746  -7.297   3.346
  329   2HG   PRO  49          1HG       PRO  49  -0.124  -7.430   2.642
  330   1HD   PRO  49          2HD       PRO  49  -0.975  -5.221   3.970
  331   2HD   PRO  49          1HD       PRO  49   0.197  -5.150   2.638
  332    H    VAL  50           H        VAL  50  -4.575  -5.357  -0.236
  333    HA   VAL  50           HA       VAL  50  -6.386  -6.024   1.983
  334    HB   VAL  50           HB       VAL  50  -6.740  -3.811   0.984
  335   1HG1  VAL  50          1HG1      VAL  50  -7.959  -4.467  -1.481
  336   2HG1  VAL  50          2HG1      VAL  50  -6.373  -5.237  -1.459
  337   3HG1  VAL  50          3HG1      VAL  50  -6.512  -3.499  -1.200
  338   1HG2  VAL  50          1HG2      VAL  50  -9.180  -4.148   0.361
  339   2HG2  VAL  50          2HG2      VAL  50  -8.675  -4.762   1.935
  340   3HG2  VAL  50          3HG2      VAL  50  -8.891  -5.874   0.582
  341    HA   PRO  51           HA       PRO  51  -7.419  -9.951   0.219
  342   1HB   PRO  51          2HB       PRO  51 -10.193  -9.232   1.043
  343   2HB   PRO  51          1HB       PRO  51  -9.259 -10.693   1.388
  344   1HG   PRO  51          2HG       PRO  51  -9.617  -8.839   3.264
  345   2HG   PRO  51          1HG       PRO  51  -8.065  -9.684   3.103
  346   1HD   PRO  51          2HD       PRO  51  -8.809  -6.911   2.294
  347   2HD   PRO  51          1HD       PRO  51  -7.272  -7.529   2.931
  Start of MODEL    6
    1   1H    ASN   1          1HT       ASN   1   1.224  -4.352  -7.835
    2   2H    ASN   1          2HT       ASN   1   0.609  -4.905  -9.338
    3   3H    ASN   1          3HT       ASN   1   1.905  -5.737  -8.581
    4    HA   ASN   1           HA       ASN   1   0.327  -6.068  -6.668
    5   1HB   ASN   1          2HB       ASN   1  -1.554  -5.335  -8.924
    6   2HB   ASN   1          1HB       ASN   1  -2.057  -6.110  -7.425
    7   1HD2  ASN   1          1HD2      ASN   1  -0.762  -3.200  -8.852
    8   2HD2  ASN   1          2HD2      ASN   1  -1.157  -2.147  -7.540
    9    H    GLU   2           H        GLU   2   0.682  -8.179  -6.493
   10    HA   GLU   2           HA       GLU   2  -0.500 -10.178  -7.863
   11   1HB   GLU   2          2HB       GLU   2   1.609  -9.040  -9.452
   12   2HB   GLU   2          1HB       GLU   2   2.010 -10.704  -9.051
   13   1HG   GLU   2          2HG       GLU   2  -0.226 -11.380  -9.907
   14   2HG   GLU   2          1HG       GLU   2  -0.467  -9.717 -10.441
   15    H    LYS   3           H        LYS   3   0.275  -9.673  -5.268
   16    HA   LYS   3           HA       LYS   3   2.361 -11.680  -4.748
   17   1HB   LYS   3          2HB       LYS   3   2.152  -9.119  -3.780
   18   2HB   LYS   3          1HB       LYS   3   1.452 -10.064  -2.473
   19   1HG   LYS   3          2HG       LYS   3   3.547 -11.515  -2.643
   20   2HG   LYS   3          1HG       LYS   3   4.220 -10.197  -3.605
   21   1HD   LYS   3          2HD       LYS   3   2.943  -9.358  -1.098
   22   2HD   LYS   3          1HD       LYS   3   4.370 -10.376  -0.892
   23   1HE   LYS   3          2HE       LYS   3   5.087  -8.558  -2.868
   24   2HE   LYS   3          1HE       LYS   3   4.171  -7.603  -1.703
   25   1HZ   LYS   3          1HZ       LYS   3   5.745  -7.851  -0.129
   26   2HZ   LYS   3          2HZ       LYS   3   6.762  -8.112  -1.455
   27   3HZ   LYS   3          3HZ       LYS   3   6.143  -9.429  -0.594
   28    H    SER   4           H        SER   4  -0.443 -10.460  -2.922
   29    HA   SER   4           HA       SER   4  -1.502 -13.180  -2.760
   30   1HB   SER   4          2HB       SER   4   0.014 -12.506  -0.733
   31   2HB   SER   4          1HB       SER   4  -1.384 -11.548  -0.245
   32    HG   SER   4           HG       SER   4  -0.991 -14.225  -0.087
   33    H    GLY   5           H        GLY   5  -2.046  -9.855  -1.579
   34   1HA   GLY   5          2HA       GLY   5  -4.919 -10.213  -2.053
   35   2HA   GLY   5          1HA       GLY   5  -4.186  -8.944  -1.087
   36    H    SER   6           H        SER   6  -4.802  -7.106  -2.019
   37    HA   SER   6           HA       SER   6  -3.888  -6.565  -4.712
   38   1HB   SER   6          2HB       SER   6  -6.642  -5.616  -4.299
   39   2HB   SER   6          1HB       SER   6  -5.896  -6.328  -5.729
   40    HG   SER   6           HG       SER   6  -6.294  -8.343  -4.936
   41    H    CYS   7           H        CYS   7  -4.992  -4.163  -5.150
   42    HA   CYS   7           HA       CYS   7  -3.680  -2.509  -3.166
   43   1HB   CYS   7          2HB       CYS   7  -3.203  -1.968  -5.452
   44   2HB   CYS   7          1HB       CYS   7  -4.914  -1.908  -5.859
   45    HA   PRO   8           HA       PRO   8  -7.505  -1.449  -1.163
   46   1HB   PRO   8          2HB       PRO   8  -6.633   0.554   0.400
   47   2HB   PRO   8          1HB       PRO   8  -6.163  -1.125   0.692
   48   1HG   PRO   8          2HG       PRO   8  -4.628   1.066  -0.650
   49   2HG   PRO   8          1HG       PRO   8  -4.062  -0.149   0.510
   50   1HD   PRO   8          2HD       PRO   8  -3.706  -0.342  -2.200
   51   2HD   PRO   8          1HD       PRO   8  -3.783  -1.741  -1.112
   52    H    ASP   9           H        ASP   9  -8.846   0.550  -0.704
   53    HA   ASP   9           HA       ASP   9  -8.757   2.300  -3.061
   54   1HB   ASP   9          2HB       ASP   9 -11.157   2.787  -2.449
   55   2HB   ASP   9          1HB       ASP   9 -10.832   1.123  -2.926
   56    H    MET  10           H        MET  10  -9.615   4.552  -2.689
   57    HA   MET  10           HA       MET  10  -8.039   5.821  -0.685
   58   1HB   MET  10          2HB       MET  10 -10.126   6.877  -2.595
   59   2HB   MET  10          1HB       MET  10  -9.212   7.905  -1.499
   60   1HG   MET  10          2HG       MET  10  -7.210   6.544  -2.703
   61   2HG   MET  10          1HG       MET  10  -8.398   6.612  -4.002
   62   1HE   MET  10          1HE       MET  10  -9.894   9.262  -3.131
   63   2HE   MET  10          2HE       MET  10  -9.486   9.077  -4.836
   64   3HE   MET  10          3HE       MET  10  -9.060  10.561  -3.984
   65    H    SER  11           H        SER  11  -9.019   7.516   0.783
   66    HA   SER  11           HA       SER  11 -11.552   7.679   1.683
   67   1HB   SER  11          2HB       SER  11 -10.331   5.135   2.518
   68   2HB   SER  11          1HB       SER  11 -11.052   6.060   3.835
   69    HG   SER  11           HG       SER  11 -12.967   5.642   3.070
   70    H    MET  12           H        MET  12  -8.209   7.319   2.675
   71    HA   MET  12           HA       MET  12  -8.576   9.599   4.504
   72   1HB   MET  12          2HB       MET  12  -7.052   7.050   4.885
   73   2HB   MET  12          1HB       MET  12  -6.509   8.515   5.689
   74   1HG   MET  12          2HG       MET  12  -8.767   8.730   6.696
   75   2HG   MET  12          1HG       MET  12  -9.182   7.169   5.989
   76   1HE   MET  12          1HE       MET  12  -9.606   5.799   8.559
   77   2HE   MET  12          2HE       MET  12  -9.782   7.549   8.688
   78   3HE   MET  12          3HE       MET  12  -8.810   6.671   9.869
   79    HA   PRO  13           HA       PRO  13  -5.589  11.235   1.530
   80   1HB   PRO  13          2HB       PRO  13  -5.618  13.778   2.494
   81   2HB   PRO  13          1HB       PRO  13  -6.867  13.139   1.419
   82   1HG   PRO  13          2HG       PRO  13  -6.906  13.442   4.397
   83   2HG   PRO  13          1HG       PRO  13  -8.180  13.809   3.218
   84   1HD   PRO  13          2HD       PRO  13  -8.185  11.543   4.687
   85   2HD   PRO  13          1HD       PRO  13  -8.817  11.598   3.030
   86    H    ILE  14           H        ILE  14  -3.444  12.029   1.643
   87    HA   ILE  14           HA       ILE  14  -2.231  11.985   4.326
   88    HB   ILE  14           HB       ILE  14  -0.957  10.824   1.848
   89   1HG1  ILE  14          2HG1      ILE  14  -1.707   9.084   4.128
   90   2HG1  ILE  14          1HG1      ILE  14  -3.033   9.668   3.126
   91   1HG2  ILE  14          1HG2      ILE  14   0.750  10.005   3.324
   92   2HG2  ILE  14          2HG2      ILE  14  -0.121  10.609   4.734
   93   3HG2  ILE  14          3HG2      ILE  14   0.572  11.741   3.574
   94   1HD1  ILE  14          1HD1      ILE  14  -2.611   7.962   1.781
   95   2HD1  ILE  14          2HD1      ILE  14  -1.092   7.602   2.602
   96   3HD1  ILE  14          3HD1      ILE  14  -1.134   8.800   1.308
   97    HA   PRO  15           HA       PRO  15  -0.590  15.927   3.094
   98   1HB   PRO  15          2HB       PRO  15   1.435  16.106   4.911
   99   2HB   PRO  15          1HB       PRO  15  -0.261  16.395   5.312
  100   1HG   PRO  15          2HG       PRO  15   1.390  13.933   5.729
  101   2HG   PRO  15          1HG       PRO  15   0.230  14.702   6.828
  102   1HD   PRO  15          2HD       PRO  15  -0.408  12.527   5.370
  103   2HD   PRO  15          1HD       PRO  15  -1.596  13.794   5.739
  104    HA   PRO  16           HA       PRO  16   2.688  14.218   0.445
  105   1HB   PRO  16          2HB       PRO  16   2.604  16.205  -1.398
  106   2HB   PRO  16          1HB       PRO  16   1.443  14.872  -1.373
  107   1HG   PRO  16          2HG       PRO  16   1.147  17.661  -0.324
  108   2HG   PRO  16          1HG       PRO  16  -0.010  16.685  -1.248
  109   1HD   PRO  16          2HD       PRO  16  -0.172  16.981   1.439
  110   2HD   PRO  16          1HD       PRO  16  -0.686  15.499   0.608
  111    H    LEU  17           H        LEU  17   2.503  17.116   2.246
  112    HA   LEU  17           HA       LEU  17   4.824  18.457   1.462
  113   1HB   LEU  17          2HB       LEU  17   2.935  19.149   3.099
  114   2HB   LEU  17          1HB       LEU  17   3.917  18.358   4.318
  115    HG   LEU  17           HG       LEU  17   5.278  20.364   2.608
  116   1HD1  LEU  17          1HD1      LEU  17   4.454  22.234   3.892
  117   2HD1  LEU  17          2HD1      LEU  17   3.399  21.169   4.822
  118   3HD1  LEU  17          3HD1      LEU  17   3.104  21.419   3.101
  119   1HD2  LEU  17          1HD2      LEU  17   5.421  19.338   5.405
  120   2HD2  LEU  17          2HD2      LEU  17   6.089  20.927   5.027
  121   3HD2  LEU  17          3HD2      LEU  17   6.696  19.495   4.196
  122    H    GLY  18           H        GLY  18   4.461  16.380   4.348
  123   1HA   GLY  18          2HA       GLY  18   7.362  15.968   4.334
  124   2HA   GLY  18          1HA       GLY  18   6.276  15.610   5.665
  125    H    ILE  19           H        ILE  19   5.268  14.570   2.553
  126    HA   ILE  19           HA       ILE  19   6.472  11.939   2.810
  127    HB   ILE  19           HB       ILE  19   3.466  12.164   2.708
  128   1HG1  ILE  19          2HG1      ILE  19   5.244  11.553   5.081
  129   2HG1  ILE  19          1HG1      ILE  19   4.245  12.989   4.878
  130   1HG2  ILE  19          1HG2      ILE  19   3.682   9.731   3.379
  131   2HG2  ILE  19          2HG2      ILE  19   5.396   9.876   2.987
  132   3HG2  ILE  19          3HG2      ILE  19   4.179  10.138   1.737
  133   1HD1  ILE  19          1HD1      ILE  19   3.543  10.368   5.870
  134   2HD1  ILE  19          2HD1      ILE  19   2.465  10.901   4.580
  135   3HD1  ILE  19          3HD1      ILE  19   2.686  11.902   6.015
  136    H    CYS  20           H        CYS  20   7.357  11.901   0.821
  137    HA   CYS  20           HA       CYS  20   5.610  11.668  -1.449
  138   1HB   CYS  20          2HB       CYS  20   7.043  14.166  -0.915
  139   2HB   CYS  20          1HB       CYS  20   7.370  13.506  -2.513
  140    H    LYS  21           H        LYS  21   7.339  11.827  -3.518
  141    HA   LYS  21           HA       LYS  21   9.102  10.852  -4.590
  142   1HB   LYS  21          2HB       LYS  21  10.189  11.446  -2.131
  143   2HB   LYS  21          1HB       LYS  21  10.458   9.712  -2.256
  144   1HG   LYS  21          2HG       LYS  21  11.313  10.401  -4.669
  145   2HG   LYS  21          1HG       LYS  21  11.604  11.934  -3.844
  146   1HD   LYS  21          2HD       LYS  21  12.846  10.650  -2.087
  147   2HD   LYS  21          1HD       LYS  21  12.694   9.220  -3.110
  148   1HE   LYS  21          2HE       LYS  21  13.717  10.843  -4.924
  149   2HE   LYS  21          1HE       LYS  21  14.330  11.677  -3.497
  150   1HZ   LYS  21          1HZ       LYS  21  15.082   9.293  -2.835
  151   2HZ   LYS  21          2HZ       LYS  21  16.007  10.199  -3.925
  152   3HZ   LYS  21          3HZ       LYS  21  14.970   8.991  -4.496
  153    H    THR  22           H        THR  22   9.433   8.855  -5.481
  154    HA   THR  22           HA       THR  22   7.601   6.793  -4.719
  155    HB   THR  22           HB       THR  22   8.044   7.132  -7.057
  156    HG1  THR  22           1HG      THR  22   9.382   4.732  -6.401
  157   1HG2  THR  22          1HG2      THR  22  10.222   8.045  -7.128
  158   2HG2  THR  22          2HG2      THR  22  10.269   6.527  -8.023
  159   3HG2  THR  22          3HG2      THR  22  10.922   6.607  -6.386
  160    H    LEU  23           H        LEU  23   8.388   4.469  -4.569
  161    HA   LEU  23           HA       LEU  23  10.964   4.185  -3.247
  162   1HB   LEU  23          2HB       LEU  23   8.540   4.362  -1.824
  163   2HB   LEU  23          1HB       LEU  23   9.097   2.708  -1.719
  164    HG   LEU  23           HG       LEU  23  11.033   4.900  -1.148
  165   1HD1  LEU  23          1HD1      LEU  23  10.154   4.393   1.327
  166   2HD1  LEU  23          2HD1      LEU  23   8.634   4.248   0.444
  167   3HD1  LEU  23          3HD1      LEU  23   9.568   5.741   0.353
  168   1HD2  LEU  23          1HD2      LEU  23  11.487   3.000   0.667
  169   2HD2  LEU  23          2HD2      LEU  23  12.154   2.937  -0.964
  170   3HD2  LEU  23          3HD2      LEU  23  10.703   2.016  -0.569
  171    H    CYS  24           H        CYS  24   7.987   2.528  -4.235
  172    HA   CYS  24           HA       CYS  24   9.627   0.192  -4.968
  173   1HB   CYS  24          2HB       CYS  24   7.529  -1.123  -4.793
  174   2HB   CYS  24          1HB       CYS  24   7.990  -0.368  -3.271
  175    H    ASN  25           H        ASN  25   8.797  -1.069  -6.830
  176    HA   ASN  25           HA       ASN  25   7.784   0.739  -8.922
  177   1HB   ASN  25          2HB       ASN  25  10.026  -1.114  -8.851
  178   2HB   ASN  25          1HB       ASN  25   8.952  -1.441 -10.207
  179   1HD2  ASN  25          1HD2      ASN  25   8.900  -0.066 -11.903
  180   2HD2  ASN  25          2HD2      ASN  25   9.907   1.330 -12.048
  181    H    SER  26           H        SER  26   7.160  -2.111  -7.149
  182    HA   SER  26           HA       SER  26   4.622  -2.462  -8.226
  183   1HB   SER  26          2HB       SER  26   5.377  -4.939  -9.021
  184   2HB   SER  26          1HB       SER  26   5.223  -3.567 -10.117
  185    HG   SER  26           HG       SER  26   7.312  -4.919  -9.940
  186    H    ASP  27           H        ASP  27   3.780  -4.792  -7.549
  187    HA   ASP  27           HA       ASP  27   3.820  -4.920  -4.788
  188   1HB   ASP  27          2HB       ASP  27   2.324  -6.096  -6.662
  189   2HB   ASP  27          1HB       ASP  27   3.370  -7.450  -6.258
  190    H    SER  28           H        SER  28   5.667  -6.862  -7.112
  191    HA   SER  28           HA       SER  28   6.991  -8.465  -5.217
  192   1HB   SER  28          2HB       SER  28   8.622  -8.901  -7.047
  193   2HB   SER  28          1HB       SER  28   6.947  -9.086  -7.568
  194    HG   SER  28           HG       SER  28   8.571  -6.793  -7.978
  195    H    GLY  29           H        GLY  29   7.453  -5.187  -6.191
  196   1HA   GLY  29          2HA       GLY  29  10.178  -4.997  -5.311
  197   2HA   GLY  29          1HA       GLY  29   9.143  -3.662  -5.779
  198    H    CYS  30           H        CYS  30   7.035  -4.427  -3.930
  199    HA   CYS  30           HA       CYS  30   7.925  -2.973  -1.662
  200   1HB   CYS  30          2HB       CYS  30   5.407  -4.334  -2.448
  201   2HB   CYS  30          1HB       CYS  30   5.628  -3.920  -0.753
  202    HA   PRO  31           HA       PRO  31   9.463  -6.253   0.754
  203   1HB   PRO  31          2HB       PRO  31   9.678  -5.033   3.137
  204   2HB   PRO  31          1HB       PRO  31  10.711  -4.607   1.769
  205   1HG   PRO  31          2HG       PRO  31   8.307  -3.201   2.843
  206   2HG   PRO  31          1HG       PRO  31   9.810  -2.520   2.195
  207   1HD   PRO  31          2HD       PRO  31   7.430  -2.745   0.793
  208   2HD   PRO  31          1HD       PRO  31   9.034  -2.574   0.054
  209    H    ASN  32           H        ASN  32   9.089  -7.215   3.048
  210    HA   ASN  32           HA       ASN  32   7.728  -8.600   4.242
  211   1HB   ASN  32          2HB       ASN  32   6.319  -5.941   4.447
  212   2HB   ASN  32          1HB       ASN  32   5.828  -7.351   5.380
  213   1HD2  ASN  32          1HD2      ASN  32   8.309  -4.969   4.872
  214   2HD2  ASN  32          2HD2      ASN  32   9.161  -5.248   6.349
  215    H    VAL  33           H        VAL  33   4.958  -6.693   3.209
  216    HA   VAL  33           HA       VAL  33   4.145  -8.524   1.161
  217    HB   VAL  33           HB       VAL  33   3.590  -9.847   3.177
  218   1HG1  VAL  33          1HG1      VAL  33   1.866  -7.470   3.845
  219   2HG1  VAL  33          2HG1      VAL  33   3.191  -8.141   4.795
  220   3HG1  VAL  33          3HG1      VAL  33   1.696  -9.054   4.602
  221   1HG2  VAL  33          1HG2      VAL  33   1.621 -10.622   2.326
  222   2HG2  VAL  33          2HG2      VAL  33   2.142  -9.616   0.974
  223   3HG2  VAL  33          3HG2      VAL  33   0.946  -9.007   2.117
  224    H    GLN  34           H        GLN  34   4.553  -5.664   1.645
  225    HA   GLN  34           HA       GLN  34   1.928  -4.463   1.618
  226   1HB   GLN  34          2HB       GLN  34   4.667  -3.274   1.193
  227   2HB   GLN  34          1HB       GLN  34   3.175  -2.358   1.342
  228   1HG   GLN  34          2HG       GLN  34   2.866  -3.306   3.600
  229   2HG   GLN  34          1HG       GLN  34   4.433  -4.092   3.444
  230   1HE2  GLN  34          1HE2      GLN  34   2.801  -0.989   3.556
  231   2HE2  GLN  34          2HE2      GLN  34   4.163  -0.078   4.103
  232    H    LYS  35           H        LYS  35   0.959  -3.421  -0.120
  233    HA   LYS  35           HA       LYS  35   1.715  -4.428  -2.723
  234   1HB   LYS  35          2HB       LYS  35  -0.705  -3.376  -1.429
  235   2HB   LYS  35          1HB       LYS  35  -0.496  -2.850  -3.088
  236   1HG   LYS  35          2HG       LYS  35  -1.754  -4.777  -3.300
  237   2HG   LYS  35          1HG       LYS  35  -0.109  -5.346  -3.598
  238   1HD   LYS  35          2HD       LYS  35  -0.255  -5.629  -0.913
  239   2HD   LYS  35          1HD       LYS  35  -1.938  -5.919  -1.361
  240   1HE   LYS  35          2HE       LYS  35  -1.331  -7.698  -2.805
  241   2HE   LYS  35          1HE       LYS  35   0.381  -7.300  -2.688
  242   1HZ   LYS  35          1HZ       LYS  35  -1.313  -8.304  -0.463
  243   2HZ   LYS  35          2HZ       LYS  35   0.333  -7.929  -0.358
  244   3HZ   LYS  35          3HZ       LYS  35  -0.179  -9.216  -1.329
  245    H    CYS  36           H        CYS  36   2.181  -3.079  -4.491
  246    HA   CYS  36           HA       CYS  36   3.166  -0.434  -3.703
  247   1HB   CYS  36          2HB       CYS  36   4.687  -2.100  -4.860
  248   2HB   CYS  36          1HB       CYS  36   3.701  -1.889  -6.301
  249    H    CYS  37           H        CYS  37   1.271   0.737  -3.722
  250    HA   CYS  37           HA       CYS  37   0.026   1.112  -6.367
  251   1HB   CYS  37          2HB       CYS  37  -1.219   0.131  -4.124
  252   2HB   CYS  37          1HB       CYS  37  -1.607   1.843  -4.042
  253    H    LYS  38           H        LYS  38  -1.448   3.280  -6.022
  254    HA   LYS  38           HA       LYS  38   0.539   5.357  -5.440
  255   1HB   LYS  38          2HB       LYS  38  -0.469   5.299  -7.707
  256   2HB   LYS  38          1HB       LYS  38  -2.051   5.568  -6.987
  257   1HG   LYS  38          2HG       LYS  38  -0.109   7.549  -6.141
  258   2HG   LYS  38          1HG       LYS  38  -0.306   7.503  -7.894
  259   1HD   LYS  38          2HD       LYS  38  -2.868   7.339  -6.592
  260   2HD   LYS  38          1HD       LYS  38  -1.977   8.747  -6.014
  261   1HE   LYS  38          2HE       LYS  38  -2.821   9.738  -7.847
  262   2HE   LYS  38          1HE       LYS  38  -1.506   8.905  -8.675
  263   1HZ   LYS  38          1HZ       LYS  38  -4.369   8.316  -8.669
  264   2HZ   LYS  38          2HZ       LYS  38  -3.305   7.004  -8.765
  265   3HZ   LYS  38          3HZ       LYS  38  -3.250   8.225  -9.934
  266    H    ASN  39           H        ASN  39   0.354   5.720  -3.269
  267    HA   ASN  39           HA       ASN  39  -2.312   6.350  -2.210
  268   1HB   ASN  39          2HB       ASN  39  -0.090   4.906  -1.154
  269   2HB   ASN  39          1HB       ASN  39  -0.341   6.330  -0.147
  270   1HD2  ASN  39          1HD2      ASN  39  -1.595   5.957   1.514
  271   2HD2  ASN  39          2HD2      ASN  39  -2.931   4.864   1.566
  272    H    GLY  40           H        GLY  40   1.043   7.510  -1.792
  273   1HA   GLY  40          2HA       GLY  40   0.161  10.077  -0.865
  274   2HA   GLY  40          1HA       GLY  40   1.817   9.609  -1.217
  275    H    CYS  41           H        CYS  41   2.269  11.556  -2.271
  276    HA   CYS  41           HA       CYS  41   0.721  12.656  -4.337
  277   1HB   CYS  41          2HB       CYS  41   2.773  13.943  -4.848
  278   2HB   CYS  41          1HB       CYS  41   2.364  13.976  -3.141
  279    H    GLY  42           H        GLY  42   0.230  10.693  -5.568
  280   1HA   GLY  42          2HA       GLY  42   0.489   9.353  -7.414
  281   2HA   GLY  42          1HA       GLY  42   1.696  10.514  -7.945
  282    H    PHE  43           H        PHE  43   3.117   9.007  -8.778
  283    HA   PHE  43           HA       PHE  43   4.782   7.455  -8.791
  284   1HB   PHE  43          2HB       PHE  43   4.983   8.499  -5.970
  285   2HB   PHE  43          1HB       PHE  43   6.126   7.331  -6.623
  286    HD1  PHE  43           1HD      PHE  43   6.154  10.473  -5.719
  287    HD2  PHE  43           2HD      PHE  43   6.522   8.284  -9.350
  288    HE1  PHE  43           1HE      PHE  43   7.465  12.314  -6.691
  289    HE2  PHE  43           2HE      PHE  43   7.834  10.121 -10.329
  290    HZ   PHE  43           HZ       PHE  43   8.308  12.139  -8.998
  291    H    MET  44           H        MET  44   5.707   5.514  -7.277
  292    HA   MET  44           HA       MET  44   3.331   3.945  -6.516
  293   1HB   MET  44          2HB       MET  44   5.292   3.405  -8.467
  294   2HB   MET  44          1HB       MET  44   5.609   2.295  -7.143
  295   1HG   MET  44          2HG       MET  44   4.144   1.060  -8.369
  296   2HG   MET  44          1HG       MET  44   3.025   1.882  -7.283
  297   1HE   MET  44          1HE       MET  44   1.551   1.329 -10.949
  298   2HE   MET  44          2HE       MET  44   2.442   0.374  -9.764
  299   3HE   MET  44          3HE       MET  44   3.278   1.045 -11.164
  300    H    THR  45           H        THR  45   3.237   3.894  -4.363
  301    HA   THR  45           HA       THR  45   5.724   3.359  -2.871
  302    HB   THR  45           HB       THR  45   4.643   4.469  -0.942
  303    HG1  THR  45           1HG      THR  45   2.586   4.983  -2.821
  304   1HG2  THR  45          1HG2      THR  45   4.505   6.322  -3.297
  305   2HG2  THR  45          2HG2      THR  45   6.026   5.777  -2.588
  306   3HG2  THR  45          3HG2      THR  45   4.883   6.708  -1.618
  307    H    CYS  46           H        CYS  46   5.249   2.281  -0.687
  308    HA   CYS  46           HA       CYS  46   3.621  -0.064  -1.236
  309   1HB   CYS  46          2HB       CYS  46   5.591   0.538   0.965
  310   2HB   CYS  46          1HB       CYS  46   4.685  -0.963   0.846
  311    H    THR  47           H        THR  47   1.929  -0.736  -0.052
  312    HA   THR  47           HA       THR  47   1.011   0.890   2.201
  313    HB   THR  47           HB       THR  47  -0.082   1.773   0.158
  314    HG1  THR  47           1HG      THR  47  -1.430   2.093   1.764
  315   1HG2  THR  47          1HG2      THR  47  -0.602  -1.037  -0.342
  316   2HG2  THR  47          2HG2      THR  47  -0.652   0.342  -1.440
  317   3HG2  THR  47          3HG2      THR  47  -2.052  -0.039  -0.438
  318    H    THR  48           H        THR  48  -1.179  -0.206   3.011
  319    HA   THR  48           HA       THR  48  -0.440  -2.816   3.864
  320    HB   THR  48           HB       THR  48  -3.105  -1.440   4.147
  321    HG1  THR  48           1HG      THR  48  -2.264  -0.314   5.707
  322   1HG2  THR  48          1HG2      THR  48  -2.639  -3.999   4.757
  323   2HG2  THR  48          2HG2      THR  48  -3.733  -2.962   5.674
  324   3HG2  THR  48          3HG2      THR  48  -2.086  -3.230   6.245
  325    HA   PRO  49           HA       PRO  49  -2.185  -5.044   0.420
  326   1HB   PRO  49          2HB       PRO  49  -2.063  -7.538   1.481
  327   2HB   PRO  49          1HB       PRO  49  -0.643  -6.688   0.862
  328   1HG   PRO  49          2HG       PRO  49  -1.584  -6.998   3.686
  329   2HG   PRO  49          1HG       PRO  49   0.061  -7.120   3.035
  330   1HD   PRO  49          2HD       PRO  49  -0.851  -4.901   4.293
  331   2HD   PRO  49          1HD       PRO  49   0.344  -4.834   2.982
  332    H    VAL  50           H        VAL  50  -4.236  -5.429  -0.156
  333    HA   VAL  50           HA       VAL  50  -6.247  -5.661   1.944
  334    HB   VAL  50           HB       VAL  50  -6.844  -5.387  -0.959
  335   1HG1  VAL  50          1HG1      VAL  50  -8.871  -5.680  -0.018
  336   2HG1  VAL  50          2HG1      VAL  50  -8.712  -3.960   0.338
  337   3HG1  VAL  50          3HG1      VAL  50  -8.321  -5.156   1.573
  338   1HG2  VAL  50          1HG2      VAL  50  -5.871  -3.388  -1.025
  339   2HG2  VAL  50          2HG2      VAL  50  -5.478  -3.470   0.693
  340   3HG2  VAL  50          3HG2      VAL  50  -7.042  -2.843   0.175
  341    HA   PRO  51           HA       PRO  51  -6.542 -10.084   1.424
  342   1HB   PRO  51          2HB       PRO  51  -9.331  -9.561   2.337
  343   2HB   PRO  51          1HB       PRO  51  -8.148 -10.725   2.944
  344   1HG   PRO  51          2HG       PRO  51  -8.672  -8.503   4.307
  345   2HG   PRO  51          1HG       PRO  51  -7.015  -9.125   4.189
  346   1HD   PRO  51          2HD       PRO  51  -8.283  -6.825   2.770
  347   2HD   PRO  51          1HD       PRO  51  -6.626  -7.000   3.383
  Start of MODEL    7
    1   1H    ASN   1          1HT       ASN   1   5.081  -9.823  -9.113
    2   2H    ASN   1          2HT       ASN   1   5.184  -9.243 -10.725
    3   3H    ASN   1          3HT       ASN   1   4.478 -10.775 -10.404
    4    HA   ASN   1           HA       ASN   1   3.423  -8.247  -9.350
    5   1HB   ASN   1          2HB       ASN   1   2.760  -9.743 -11.894
    6   2HB   ASN   1          1HB       ASN   1   1.747  -8.478 -11.209
    7   1HD2  ASN   1          1HD2      ASN   1   1.946  -6.763 -12.454
    8   2HD2  ASN   1          2HD2      ASN   1   3.432  -6.085 -13.017
    9    H    GLU   2           H        GLU   2   1.337  -8.482  -8.456
   10    HA   GLU   2           HA       GLU   2  -0.277  -9.504  -7.223
   11   1HB   GLU   2          2HB       GLU   2  -0.736 -10.518  -9.500
   12   2HB   GLU   2          1HB       GLU   2   0.172 -11.926  -8.965
   13   1HG   GLU   2          2HG       GLU   2  -1.449 -12.593  -7.505
   14   2HG   GLU   2          1HG       GLU   2  -2.059 -10.957  -7.262
   15    H    LYS   3           H        LYS   3   0.317  -9.888  -5.190
   16    HA   LYS   3           HA       LYS   3   2.218 -12.058  -4.646
   17   1HB   LYS   3          2HB       LYS   3   2.110  -9.467  -3.690
   18   2HB   LYS   3          1HB       LYS   3   1.425 -10.402  -2.369
   19   1HG   LYS   3          2HG       LYS   3   3.456 -11.889  -2.530
   20   2HG   LYS   3          1HG       LYS   3   4.144 -10.678  -3.613
   21   1HD   LYS   3          2HD       LYS   3   3.045  -9.773  -1.001
   22   2HD   LYS   3          1HD       LYS   3   4.592 -10.622  -1.007
   23   1HE   LYS   3          2HE       LYS   3   4.939  -8.857  -3.045
   24   2HE   LYS   3          1HE       LYS   3   3.904  -7.931  -1.960
   25   1HZ   LYS   3          1HZ       LYS   3   5.691  -8.924  -0.245
   26   2HZ   LYS   3          2HZ       LYS   3   5.851  -7.418  -0.999
   27   3HZ   LYS   3          3HZ       LYS   3   6.658  -8.767  -1.624
   28    H    SER   4           H        SER   4  -0.707 -10.672  -3.136
   29    HA   SER   4           HA       SER   4  -1.831 -13.329  -2.842
   30   1HB   SER   4          2HB       SER   4  -2.203 -13.054  -0.398
   31   2HB   SER   4          1HB       SER   4  -0.494 -13.170  -0.816
   32    HG   SER   4           HG       SER   4  -1.672 -11.261   0.542
   33    H    GLY   5           H        GLY   5  -2.287 -10.024  -1.548
   34   1HA   GLY   5          2HA       GLY   5  -5.144 -10.247  -2.148
   35   2HA   GLY   5          1HA       GLY   5  -4.392  -9.031  -1.129
   36    H    SER   6           H        SER   6  -4.915  -7.151  -2.024
   37    HA   SER   6           HA       SER   6  -3.914  -6.571  -4.683
   38   1HB   SER   6          2HB       SER   6  -6.571  -7.270  -4.434
   39   2HB   SER   6          1HB       SER   6  -6.627  -5.510  -4.359
   40    HG   SER   6           HG       SER   6  -6.741  -6.230  -6.507
   41    H    CYS   7           H        CYS   7  -5.135  -4.098  -5.006
   42    HA   CYS   7           HA       CYS   7  -3.711  -2.549  -3.000
   43   1HB   CYS   7          2HB       CYS   7  -3.284  -1.942  -5.288
   44   2HB   CYS   7          1HB       CYS   7  -5.004  -1.800  -5.628
   45    HA   PRO   8           HA       PRO   8  -7.511  -1.476  -0.948
   46   1HB   PRO   8          2HB       PRO   8  -6.549   0.275   0.829
   47   2HB   PRO   8          1HB       PRO   8  -6.145  -1.443   0.923
   48   1HG   PRO   8          2HG       PRO   8  -4.516   0.833  -0.117
   49   2HG   PRO   8          1HG       PRO   8  -4.004  -0.567   0.840
   50   1HD   PRO   8          2HD       PRO   8  -3.724  -0.328  -1.907
   51   2HD   PRO   8          1HD       PRO   8  -3.714  -1.859  -1.014
   52    H    ASP   9           H        ASP   9  -8.996   0.254  -0.736
   53    HA   ASP   9           HA       ASP   9  -8.316   2.842  -1.856
   54   1HB   ASP   9          2HB       ASP   9 -10.262   0.949  -3.166
   55   2HB   ASP   9          1HB       ASP   9 -10.363   2.692  -3.398
   56    H    MET  10           H        MET  10  -9.115   4.245  -0.450
   57    HA   MET  10           HA       MET  10 -11.833   3.841   0.569
   58   1HB   MET  10          2HB       MET  10  -9.398   3.720   2.122
   59   2HB   MET  10          1HB       MET  10 -10.414   5.044   2.675
   60   1HG   MET  10          2HG       MET  10 -12.307   3.308   2.684
   61   2HG   MET  10          1HG       MET  10 -11.011   2.115   2.614
   62   1HE   MET  10          1HE       MET  10 -10.090   1.531   6.034
   63   2HE   MET  10          2HE       MET  10  -8.933   2.181   4.872
   64   3HE   MET  10          3HE       MET  10 -10.190   1.067   4.336
   65    H    SER  11           H        SER  11  -9.349   6.233   1.396
   66    HA   SER  11           HA       SER  11  -9.319   8.503   1.257
   67   1HB   SER  11          2HB       SER  11 -10.468   7.617  -1.333
   68   2HB   SER  11          1HB       SER  11 -10.641   9.326  -0.934
   69    HG   SER  11           HG       SER  11  -8.531   9.593  -1.087
   70    H    MET  12           H        MET  12 -11.657   7.064   2.529
   71    HA   MET  12           HA       MET  12 -13.897   8.831   2.154
   72   1HB   MET  12          2HB       MET  12 -13.516   6.260   3.219
   73   2HB   MET  12          1HB       MET  12 -14.052   7.251   4.568
   74   1HG   MET  12          2HG       MET  12 -16.032   7.898   3.380
   75   2HG   MET  12          1HG       MET  12 -15.473   7.081   1.923
   76   1HE   MET  12          1HE       MET  12 -18.376   5.380   4.656
   77   2HE   MET  12          2HE       MET  12 -18.283   6.815   3.634
   78   3HE   MET  12          3HE       MET  12 -17.457   6.787   5.193
   79    HA   PRO  13           HA       PRO  13 -12.701  10.373   6.536
   80   1HB   PRO  13          2HB       PRO  13 -10.432   9.490   7.696
   81   2HB   PRO  13          1HB       PRO  13 -11.957   8.606   7.815
   82   1HG   PRO  13          2HG       PRO  13  -9.615   8.117   6.018
   83   2HG   PRO  13          1HG       PRO  13 -10.605   6.948   6.912
   84   1HD   PRO  13          2HD       PRO  13 -10.924   7.477   4.253
   85   2HD   PRO  13          1HD       PRO  13 -12.240   6.922   5.304
   86    H    ILE  14           H        ILE  14 -10.491  11.448   7.620
   87    HA   ILE  14           HA       ILE  14  -9.814  13.558   5.994
   88    HB   ILE  14           HB       ILE  14  -7.992  12.448   8.124
   89   1HG1  ILE  14          2HG1      ILE  14  -9.475  14.417   9.331
   90   2HG1  ILE  14          1HG1      ILE  14 -10.675  13.633   8.307
   91   1HG2  ILE  14          1HG2      ILE  14  -6.938  14.202   6.916
   92   2HG2  ILE  14          2HG2      ILE  14  -7.491  14.889   8.443
   93   3HG2  ILE  14          3HG2      ILE  14  -8.395  15.194   6.959
   94   1HD1  ILE  14          1HD1      ILE  14  -9.241  11.573   9.560
   95   2HD1  ILE  14          2HD1      ILE  14 -10.904  12.078   9.856
   96   3HD1  ILE  14          3HD1      ILE  14  -9.589  12.776  10.802
   97    HA   PRO  15           HA       PRO  15  -7.291  11.460   2.888
   98   1HB   PRO  15          2HB       PRO  15  -6.630  14.313   2.323
   99   2HB   PRO  15          1HB       PRO  15  -7.114  13.028   1.211
  100   1HG   PRO  15          2HG       PRO  15  -8.841  14.921   1.923
  101   2HG   PRO  15          1HG       PRO  15  -9.364  13.236   1.741
  102   1HD   PRO  15          2HD       PRO  15  -8.860  14.808   4.227
  103   2HD   PRO  15          1HD       PRO  15 -10.080  13.558   3.907
  104    HA   PRO  16           HA       PRO  16  -3.418  11.907   5.110
  105   1HB   PRO  16          2HB       PRO  16  -2.205   9.731   4.172
  106   2HB   PRO  16          1HB       PRO  16  -3.601   9.595   5.248
  107   1HG   PRO  16          2HG       PRO  16  -3.453   9.258   2.285
  108   2HG   PRO  16          1HG       PRO  16  -4.395   8.340   3.472
  109   1HD   PRO  16          2HD       PRO  16  -5.368  10.417   1.884
  110   2HD   PRO  16          1HD       PRO  16  -6.139   9.796   3.356
  111    H    LEU  17           H        LEU  17  -3.829  13.469   2.657
  112    HA   LEU  17           HA       LEU  17  -1.771  13.086   0.791
  113   1HB   LEU  17          2HB       LEU  17  -3.792  14.579   0.561
  114   2HB   LEU  17          1HB       LEU  17  -2.966  15.736   1.589
  115    HG   LEU  17           HG       LEU  17  -1.068  15.367  -0.292
  116   1HD1  LEU  17          1HD1      LEU  17  -3.658  14.567  -1.495
  117   2HD1  LEU  17          2HD1      LEU  17  -2.019  14.026  -1.861
  118   3HD1  LEU  17          3HD1      LEU  17  -2.584  15.588  -2.452
  119   1HD2  LEU  17          1HD2      LEU  17  -2.578  17.420   0.570
  120   2HD2  LEU  17          2HD2      LEU  17  -3.178  17.268  -1.082
  121   3HD2  LEU  17          3HD2      LEU  17  -1.459  17.534  -0.789
  122    H    GLY  18           H        GLY  18   0.292  13.919   0.605
  123   1HA   GLY  18          2HA       GLY  18   1.866  15.661   1.514
  124   2HA   GLY  18          1HA       GLY  18   1.406  15.051   3.096
  125    H    ILE  19           H        ILE  19   1.390  12.304   1.509
  126    HA   ILE  19           HA       ILE  19   4.173  11.728   2.151
  127    HB   ILE  19           HB       ILE  19   2.696  10.236   3.244
  128   1HG1  ILE  19          2HG1      ILE  19   3.195   8.380   1.036
  129   2HG1  ILE  19          1HG1      ILE  19   4.598   9.342   1.481
  130   1HG2  ILE  19          1HG2      ILE  19   0.646  10.562   2.139
  131   2HG2  ILE  19          2HG2      ILE  19   1.039   8.860   1.898
  132   3HG2  ILE  19          3HG2      ILE  19   1.299  10.019   0.594
  133   1HD1  ILE  19          1HD1      ILE  19   3.080   8.055   3.670
  134   2HD1  ILE  19          2HD1      ILE  19   4.811   8.345   3.506
  135   3HD1  ILE  19          3HD1      ILE  19   4.052   7.020   2.624
  136    H    CYS  20           H        CYS  20   4.974  12.766   0.215
  137    HA   CYS  20           HA       CYS  20   4.321  11.498  -2.325
  138   1HB   CYS  20          2HB       CYS  20   6.319  13.713  -1.867
  139   2HB   CYS  20          1HB       CYS  20   5.506  13.282  -3.369
  140    H    LYS  21           H        LYS  21   6.767  11.772  -3.643
  141    HA   LYS  21           HA       LYS  21   8.786  10.777  -4.006
  142   1HB   LYS  21          2HB       LYS  21   8.804  11.264  -1.247
  143   2HB   LYS  21          1HB       LYS  21   9.283   9.581  -1.414
  144   1HG   LYS  21          2HG       LYS  21  10.568  11.802  -2.976
  145   2HG   LYS  21          1HG       LYS  21  11.145  11.277  -1.393
  146   1HD   LYS  21          2HD       LYS  21  11.905   9.267  -2.184
  147   2HD   LYS  21          1HD       LYS  21  10.718   9.211  -3.490
  148   1HE   LYS  21          2HE       LYS  21  11.981  10.542  -4.878
  149   2HE   LYS  21          1HE       LYS  21  12.824  11.319  -3.540
  150   1HZ   LYS  21          1HZ       LYS  21  13.274   8.587  -4.602
  151   2HZ   LYS  21          2HZ       LYS  21  13.956   9.148  -3.160
  152   3HZ   LYS  21          3HZ       LYS  21  14.352   9.890  -4.627
  153    H    THR  22           H        THR  22   9.216   8.862  -4.925
  154    HA   THR  22           HA       THR  22   7.310   6.739  -4.662
  155    HB   THR  22           HB       THR  22   8.230   7.192  -6.840
  156    HG1  THR  22           1HG      THR  22   8.862   5.131  -7.389
  157   1HG2  THR  22          1HG2      THR  22  10.623   6.649  -7.332
  158   2HG2  THR  22          2HG2      THR  22  10.909   6.672  -5.592
  159   3HG2  THR  22          3HG2      THR  22  10.356   8.131  -6.414
  160    H    LEU  23           H        LEU  23   8.474   4.399  -4.726
  161    HA   LEU  23           HA       LEU  23  10.648   4.061  -2.925
  162   1HB   LEU  23          2HB       LEU  23   8.088   4.358  -1.779
  163   2HB   LEU  23          1HB       LEU  23   8.573   2.688  -1.584
  164    HG   LEU  23           HG       LEU  23  10.478   4.862  -0.830
  165   1HD1  LEU  23          1HD1      LEU  23   8.721   3.821   1.296
  166   2HD1  LEU  23          2HD1      LEU  23   7.998   4.986   0.188
  167   3HD1  LEU  23          3HD1      LEU  23   9.446   5.417   1.097
  168   1HD2  LEU  23          1HD2      LEU  23  10.746   2.194  -0.878
  169   2HD2  LEU  23          2HD2      LEU  23  10.098   2.396   0.750
  170   3HD2  LEU  23          3HD2      LEU  23  11.580   3.229   0.281
  171    H    CYS  24           H        CYS  24   7.770   2.582  -4.353
  172    HA   CYS  24           HA       CYS  24   9.388   0.181  -4.906
  173   1HB   CYS  24          2HB       CYS  24   7.368  -1.168  -4.697
  174   2HB   CYS  24          1HB       CYS  24   7.655  -0.264  -3.215
  175    H    ASN  25           H        ASN  25   8.670  -1.066  -6.788
  176    HA   ASN  25           HA       ASN  25   7.604   0.693  -8.897
  177   1HB   ASN  25          2HB       ASN  25   9.899  -1.168  -8.827
  178   2HB   ASN  25          1HB       ASN  25   8.917  -1.234 -10.288
  179   1HD2  ASN  25          1HD2      ASN  25  11.215   0.538  -8.481
  180   2HD2  ASN  25          2HD2      ASN  25  11.416   1.847  -9.592
  181    H    SER  26           H        SER  26   7.081  -2.144  -7.113
  182    HA   SER  26           HA       SER  26   4.628  -2.695  -8.273
  183   1HB   SER  26          2HB       SER  26   5.602  -5.119  -9.025
  184   2HB   SER  26          1HB       SER  26   5.338  -3.773 -10.132
  185    HG   SER  26           HG       SER  26   7.442  -3.417 -10.233
  186    H    ASP  27           H        ASP  27   3.934  -5.077  -7.609
  187    HA   ASP  27           HA       ASP  27   3.883  -5.202  -4.854
  188   1HB   ASP  27          2HB       ASP  27   2.566  -6.511  -6.767
  189   2HB   ASP  27          1HB       ASP  27   3.721  -7.764  -6.336
  190    H    SER  28           H        SER  28   6.035  -6.899  -7.095
  191    HA   SER  28           HA       SER  28   7.421  -8.349  -5.081
  192   1HB   SER  28          2HB       SER  28   8.232  -7.627  -7.909
  193   2HB   SER  28          1HB       SER  28   9.101  -8.763  -6.876
  194    HG   SER  28           HG       SER  28   7.507  -9.672  -8.388
  195    H    GLY  29           H        GLY  29   7.562  -5.098  -6.165
  196   1HA   GLY  29          2HA       GLY  29  10.274  -4.583  -5.433
  197   2HA   GLY  29          1HA       GLY  29   9.054  -3.380  -5.796
  198    H    CYS  30           H        CYS  30   7.167  -4.200  -3.868
  199    HA   CYS  30           HA       CYS  30   8.169  -2.810  -1.598
  200   1HB   CYS  30          2HB       CYS  30   5.607  -4.143  -2.289
  201   2HB   CYS  30          1HB       CYS  30   5.916  -3.748  -0.605
  202    HA   PRO  31           HA       PRO  31   9.761  -6.150   0.687
  203   1HB   PRO  31          2HB       PRO  31   9.982  -5.036   3.115
  204   2HB   PRO  31          1HB       PRO  31  10.974  -4.506   1.752
  205   1HG   PRO  31          2HG       PRO  31   8.538  -3.244   2.929
  206   2HG   PRO  31          1HG       PRO  31  10.007  -2.476   2.303
  207   1HD   PRO  31          2HD       PRO  31   7.622  -2.715   0.912
  208   2HD   PRO  31          1HD       PRO  31   9.211  -2.448   0.169
  209    H    ASN  32           H        ASN  32   9.439  -7.188   2.975
  210    HA   ASN  32           HA       ASN  32   8.121  -8.680   4.094
  211   1HB   ASN  32          2HB       ASN  32   6.683  -6.057   4.477
  212   2HB   ASN  32          1HB       ASN  32   6.232  -7.522   5.343
  213   1HD2  ASN  32          1HD2      ASN  32   8.323  -4.863   5.211
  214   2HD2  ASN  32          2HD2      ASN  32   9.349  -5.296   6.531
  215    H    VAL  33           H        VAL  33   5.241  -6.833   3.332
  216    HA   VAL  33           HA       VAL  33   4.424  -8.718   1.286
  217    HB   VAL  33           HB       VAL  33   2.202  -8.951   2.512
  218   1HG1  VAL  33          1HG1      VAL  33   4.313 -10.589   2.282
  219   2HG1  VAL  33          2HG1      VAL  33   2.821 -11.040   3.109
  220   3HG1  VAL  33          3HG1      VAL  33   4.208 -10.473   4.039
  221   1HG2  VAL  33          1HG2      VAL  33   2.248  -8.826   4.921
  222   2HG2  VAL  33          2HG2      VAL  33   2.698  -7.261   4.243
  223   3HG2  VAL  33          3HG2      VAL  33   3.940  -8.333   4.890
  224    H    GLN  34           H        GLN  34   4.755  -5.658   2.214
  225    HA   GLN  34           HA       GLN  34   2.306  -4.402   1.738
  226   1HB   GLN  34          2HB       GLN  34   5.174  -3.563   1.637
  227   2HB   GLN  34          1HB       GLN  34   3.927  -2.468   1.072
  228   1HG   GLN  34          2HG       GLN  34   2.812  -2.975   3.357
  229   2HG   GLN  34          1HG       GLN  34   4.428  -3.500   3.817
  230   1HE2  GLN  34          1HE2      GLN  34   2.481  -1.055   4.222
  231   2HE2  GLN  34          2HE2      GLN  34   3.573   0.282   4.173
  232    H    LYS  35           H        LYS  35   1.345  -3.591  -0.082
  233    HA   LYS  35           HA       LYS  35   2.224  -4.712  -2.600
  234   1HB   LYS  35          2HB       LYS  35  -0.284  -3.723  -1.441
  235   2HB   LYS  35          1HB       LYS  35  -0.048  -3.270  -3.118
  236   1HG   LYS  35          2HG       LYS  35  -1.247  -5.293  -3.150
  237   2HG   LYS  35          1HG       LYS  35   0.413  -5.709  -3.582
  238   1HD   LYS  35          2HD       LYS  35   0.849  -6.452  -1.316
  239   2HD   LYS  35          1HD       LYS  35  -0.769  -5.952  -0.817
  240   1HE   LYS  35          2HE       LYS  35  -1.792  -7.631  -2.130
  241   2HE   LYS  35          1HE       LYS  35  -0.290  -7.980  -2.983
  242   1HZ   LYS  35          1HZ       LYS  35  -1.182  -8.865  -0.361
  243   2HZ   LYS  35          2HZ       LYS  35   0.458  -8.473  -0.489
  244   3HZ   LYS  35          3HZ       LYS  35  -0.210  -9.655  -1.498
  245    H    CYS  36           H        CYS  36   1.995  -3.223  -4.553
  246    HA   CYS  36           HA       CYS  36   3.198  -0.621  -3.886
  247   1HB   CYS  36          2HB       CYS  36   4.576  -2.361  -5.178
  248   2HB   CYS  36          1HB       CYS  36   3.503  -2.032  -6.534
  249    H    CYS  37           H        CYS  37   1.484   0.733  -3.863
  250    HA   CYS  37           HA       CYS  37  -0.040   0.972  -6.368
  251   1HB   CYS  37          2HB       CYS  37  -1.154   0.006  -4.093
  252   2HB   CYS  37          1HB       CYS  37  -1.450   1.726  -3.884
  253    H    LYS  38           H        LYS  38  -1.465   3.160  -5.986
  254    HA   LYS  38           HA       LYS  38   0.490   5.239  -5.245
  255   1HB   LYS  38          2HB       LYS  38   0.170   5.062  -7.690
  256   2HB   LYS  38          1HB       LYS  38  -1.551   5.353  -7.474
  257   1HG   LYS  38          2HG       LYS  38  -0.634   7.516  -6.236
  258   2HG   LYS  38          1HG       LYS  38   0.730   7.233  -7.318
  259   1HD   LYS  38          2HD       LYS  38  -1.944   7.051  -8.549
  260   2HD   LYS  38          1HD       LYS  38  -1.459   8.656  -7.998
  261   1HE   LYS  38          2HE       LYS  38  -0.284   8.878  -9.870
  262   2HE   LYS  38          1HE       LYS  38   0.781   7.594  -9.300
  263   1HZ   LYS  38          1HZ       LYS  38  -0.162   6.084 -10.664
  264   2HZ   LYS  38          2HZ       LYS  38  -0.553   7.454 -11.576
  265   3HZ   LYS  38          3HZ       LYS  38  -1.710   6.759 -10.555
  266    H    ASN  39           H        ASN  39  -0.367   5.514  -3.176
  267    HA   ASN  39           HA       ASN  39  -3.051   6.730  -3.109
  268   1HB   ASN  39          2HB       ASN  39  -1.882   4.589  -1.472
  269   2HB   ASN  39          1HB       ASN  39  -2.645   5.869  -0.534
  270   1HD2  ASN  39          1HD2      ASN  39  -4.363   4.671   0.150
  271   2HD2  ASN  39          2HD2      ASN  39  -5.608   4.104  -0.905
  272    H    GLY  40           H        GLY  40  -3.371   8.437  -1.593
  273   1HA   GLY  40          2HA       GLY  40  -2.722  10.176  -0.196
  274   2HA   GLY  40          1HA       GLY  40  -1.098   9.504  -0.158
  275    H    CYS  41           H        CYS  41   0.311  10.946  -0.880
  276    HA   CYS  41           HA       CYS  41  -0.308  13.183  -2.441
  277   1HB   CYS  41          2HB       CYS  41   1.695  13.056  -1.035
  278   2HB   CYS  41          1HB       CYS  41   2.362  11.805  -2.078
  279    H    GLY  42           H        GLY  42   1.647  10.372  -3.462
  280   1HA   GLY  42          2HA       GLY  42   0.312   9.718  -5.774
  281   2HA   GLY  42          1HA       GLY  42   1.379  11.037  -6.232
  282    H    PHE  43           H        PHE  43   2.419   9.517  -7.654
  283    HA   PHE  43           HA       PHE  43   4.116   8.121  -8.236
  284   1HB   PHE  43          2HB       PHE  43   4.938   8.985  -5.484
  285   2HB   PHE  43          1HB       PHE  43   5.876   7.764  -6.335
  286    HD1  PHE  43           1HD      PHE  43   7.861   9.091  -6.464
  287    HD2  PHE  43           2HD      PHE  43   4.197  10.522  -8.087
  288    HE1  PHE  43           1HE      PHE  43   9.085  10.858  -7.658
  289    HE2  PHE  43           2HE      PHE  43   5.414  12.292  -9.286
  290    HZ   PHE  43           HZ       PHE  43   7.862  12.462  -9.073
  291    H    MET  44           H        MET  44   5.347   6.026  -7.386
  292    HA   MET  44           HA       MET  44   3.222   4.239  -6.452
  293   1HB   MET  44          2HB       MET  44   5.117   4.049  -8.521
  294   2HB   MET  44          1HB       MET  44   5.611   2.870  -7.314
  295   1HG   MET  44          2HG       MET  44   3.656   1.652  -7.512
  296   2HG   MET  44          1HG       MET  44   2.766   3.002  -8.212
  297   1HE   MET  44          1HE       MET  44   2.638   0.144  -9.029
  298   2HE   MET  44          2HE       MET  44   3.172  -0.177 -10.679
  299   3HE   MET  44          3HE       MET  44   1.910   1.018 -10.377
  300    H    THR  45           H        THR  45   3.234   4.099  -4.295
  301    HA   THR  45           HA       THR  45   5.798   3.490  -2.974
  302    HB   THR  45           HB       THR  45   4.893   4.542  -0.942
  303    HG1  THR  45           1HG      THR  45   2.943   5.636  -1.029
  304   1HG2  THR  45          1HG2      THR  45   5.057   6.170  -3.432
  305   2HG2  THR  45          2HG2      THR  45   6.140   6.125  -2.042
  306   3HG2  THR  45          3HG2      THR  45   4.574   6.926  -1.914
  307    H    CYS  46           H        CYS  46   5.262   2.432  -0.703
  308    HA   CYS  46           HA       CYS  46   3.820   0.017  -1.329
  309   1HB   CYS  46          2HB       CYS  46   5.485   0.873   1.027
  310   2HB   CYS  46          1HB       CYS  46   4.598  -0.644   1.013
  311    H    THR  47           H        THR  47   2.084  -0.809  -0.217
  312    HA   THR  47           HA       THR  47   0.700   0.953   1.668
  313    HB   THR  47           HB       THR  47  -0.191   1.443  -0.584
  314    HG1  THR  47           1HG      THR  47  -2.112   0.009   0.913
  315   1HG2  THR  47          1HG2      THR  47  -1.721  -0.998  -0.865
  316   2HG2  THR  47          2HG2      THR  47   0.011  -1.256  -1.068
  317   3HG2  THR  47          3HG2      THR  47  -0.828  -0.072  -2.070
  318    H    THR  48           H        THR  48  -1.220  -0.178   2.667
  319    HA   THR  48           HA       THR  48  -0.378  -2.757   3.596
  320    HB   THR  48           HB       THR  48  -2.955  -1.315   4.178
  321    HG1  THR  48           1HG      THR  48  -1.834  -0.496   5.987
  322   1HG2  THR  48          1HG2      THR  48  -2.278  -3.837   4.918
  323   2HG2  THR  48          2HG2      THR  48  -3.378  -2.780   5.804
  324   3HG2  THR  48          3HG2      THR  48  -1.683  -2.887   6.281
  325    HA   PRO  49           HA       PRO  49  -2.399  -4.979   0.235
  326   1HB   PRO  49          2HB       PRO  49  -2.072  -7.171   2.233
  327   2HB   PRO  49          1HB       PRO  49  -1.668  -7.147   0.512
  328   1HG   PRO  49          2HG       PRO  49   0.244  -6.936   2.345
  329   2HG   PRO  49          1HG       PRO  49   0.305  -5.975   0.856
  330   1HD   PRO  49          2HD       PRO  49  -0.417  -5.135   3.627
  331   2HD   PRO  49          1HD       PRO  49   0.443  -4.235   2.361
  332    H    VAL  50           H        VAL  50  -4.515  -5.200  -0.131
  333    HA   VAL  50           HA       VAL  50  -6.304  -5.450   2.189
  334    HB   VAL  50           HB       VAL  50  -6.639  -3.430   0.836
  335   1HG1  VAL  50          1HG1      VAL  50  -7.519  -3.604  -1.449
  336   2HG1  VAL  50          2HG1      VAL  50  -7.275  -5.351  -1.402
  337   3HG1  VAL  50          3HG1      VAL  50  -5.888  -4.263  -1.318
  338   1HG2  VAL  50          1HG2      VAL  50  -8.900  -5.413   0.588
  339   2HG2  VAL  50          2HG2      VAL  50  -9.049  -3.658   0.491
  340   3HG2  VAL  50          3HG2      VAL  50  -8.544  -4.419   2.000
  341    HA   PRO  51           HA       PRO  51  -7.297  -9.539   0.727
  342   1HB   PRO  51          2HB       PRO  51  -9.430 -10.021   2.316
  343   2HB   PRO  51          1HB       PRO  51  -7.772 -10.027   2.928
  344   1HG   PRO  51          2HG       PRO  51  -9.839  -7.867   3.085
  345   2HG   PRO  51          1HG       PRO  51  -8.721  -8.438   4.337
  346   1HD   PRO  51          2HD       PRO  51  -8.279  -6.191   2.879
  347   2HD   PRO  51          1HD       PRO  51  -6.964  -7.206   3.507
  Start of MODEL    8
    1   1H    ASN   1          1HT       ASN   1   3.947 -13.049 -10.627
    2   2H    ASN   1          2HT       ASN   1   3.656 -12.501 -12.227
    3   3H    ASN   1          3HT       ASN   1   2.399 -13.256 -11.335
    4    HA   ASN   1           HA       ASN   1   3.707 -10.782 -10.456
    5   1HB   ASN   1          2HB       ASN   1   1.692  -9.655 -11.460
    6   2HB   ASN   1          1HB       ASN   1   2.821 -10.314 -12.640
    7   1HD2  ASN   1          1HD2      ASN   1  -0.367 -10.274 -11.530
    8   2HD2  ASN   1          2HD2      ASN   1  -0.997 -11.524 -12.543
    9    H    GLU   2           H        GLU   2   1.923  -9.509  -9.242
   10    HA   GLU   2           HA       GLU   2   0.555  -9.351  -7.434
   11   1HB   GLU   2          2HB       GLU   2  -0.779 -10.959  -9.180
   12   2HB   GLU   2          1HB       GLU   2  -0.686 -12.005  -7.770
   13   1HG   GLU   2          2HG       GLU   2  -2.090 -10.721  -6.551
   14   2HG   GLU   2          1HG       GLU   2  -1.547  -9.219  -7.298
   15    H    LYS   3           H        LYS   3   0.435  -9.969  -5.262
   16    HA   LYS   3           HA       LYS   3   2.361 -12.060  -4.510
   17   1HB   LYS   3          2HB       LYS   3   2.265  -9.424  -3.750
   18   2HB   LYS   3          1HB       LYS   3   1.460 -10.221  -2.407
   19   1HG   LYS   3          2HG       LYS   3   3.435 -11.754  -2.254
   20   2HG   LYS   3          1HG       LYS   3   4.239 -10.722  -3.437
   21   1HD   LYS   3          2HD       LYS   3   3.044  -9.364  -1.098
   22   2HD   LYS   3          1HD       LYS   3   4.459 -10.372  -0.784
   23   1HE   LYS   3          2HE       LYS   3   5.143  -8.949  -3.058
   24   2HE   LYS   3          1HE       LYS   3   4.267  -7.776  -2.075
   25   1HZ   LYS   3          1HZ       LYS   3   6.240  -9.398  -0.685
   26   2HZ   LYS   3          2HZ       LYS   3   5.871  -7.756  -0.512
   27   3HZ   LYS   3          3HZ       LYS   3   6.854  -8.272  -1.788
   28    H    SER   4           H        SER   4  -0.549 -10.563  -3.079
   29    HA   SER   4           HA       SER   4  -1.691 -13.214  -2.666
   30   1HB   SER   4          2HB       SER   4  -0.797 -11.374  -0.488
   31   2HB   SER   4          1HB       SER   4  -2.275 -12.305  -0.244
   32    HG   SER   4           HG       SER   4  -0.183 -13.283   0.423
   33    H    GLY   5           H        GLY   5  -2.300  -9.866  -1.572
   34   1HA   GLY   5          2HA       GLY   5  -5.084 -10.168  -2.442
   35   2HA   GLY   5          1HA       GLY   5  -4.479  -8.947  -1.334
   36    H    SER   6           H        SER   6  -4.959  -7.069  -2.262
   37    HA   SER   6           HA       SER   6  -3.698  -6.432  -4.795
   38   1HB   SER   6          2HB       SER   6  -6.342  -7.208  -4.837
   39   2HB   SER   6          1HB       SER   6  -6.461  -5.451  -4.747
   40    HG   SER   6           HG       SER   6  -5.499  -7.070  -6.779
   41    H    CYS   7           H        CYS   7  -4.964  -3.988  -5.225
   42    HA   CYS   7           HA       CYS   7  -3.767  -2.409  -3.105
   43   1HB   CYS   7          2HB       CYS   7  -3.214  -1.745  -5.346
   44   2HB   CYS   7          1HB       CYS   7  -4.910  -1.692  -5.809
   45    HA   PRO   8           HA       PRO   8  -7.622  -1.595  -1.064
   46   1HB   PRO   8          2HB       PRO   8  -6.941   0.711   0.220
   47   2HB   PRO   8          1HB       PRO   8  -6.417  -0.888   0.755
   48   1HG   PRO   8          2HG       PRO   8  -4.930   1.152  -0.854
   49   2HG   PRO   8          1HG       PRO   8  -4.352   0.147   0.489
   50   1HD   PRO   8          2HD       PRO   8  -3.820  -0.460  -2.083
   51   2HD   PRO   8          1HD       PRO   8  -4.081  -1.714  -0.854
   52    H    ASP   9           H        ASP   9  -9.311   0.053  -0.918
   53    HA   ASP   9           HA       ASP   9  -9.531   1.526  -3.413
   54   1HB   ASP   9          2HB       ASP   9 -11.617   1.316  -1.240
   55   2HB   ASP   9          1HB       ASP   9 -11.862   1.694  -2.942
   56    H    MET  10           H        MET  10 -11.331   3.541  -2.528
   57    HA   MET  10           HA       MET  10 -11.441   5.613  -1.577
   58   1HB   MET  10          2HB       MET  10 -10.260   4.240   0.406
   59   2HB   MET  10          1HB       MET  10  -8.940   5.325  -0.006
   60   1HG   MET  10          2HG       MET  10 -10.926   7.104   0.122
   61   2HG   MET  10          1HG       MET  10 -11.551   5.897   1.245
   62   1HE   MET  10          1HE       MET  10  -8.953   9.219   2.254
   63   2HE   MET  10          2HE       MET  10 -10.092   8.954   0.934
   64   3HE   MET  10          3HE       MET  10  -8.396   8.512   0.737
   65    H    SER  11           H        SER  11  -7.936   4.937  -1.698
   66    HA   SER  11           HA       SER  11  -6.233   5.963  -2.803
   67   1HB   SER  11          2HB       SER  11  -8.239   5.538  -4.698
   68   2HB   SER  11          1HB       SER  11  -7.757   7.218  -4.940
   69    HG   SER  11           HG       SER  11  -6.493   5.045  -5.736
   70    H    MET  12           H        MET  12  -6.039   8.319  -4.231
   71    HA   MET  12           HA       MET  12  -7.391  10.516  -3.124
   72   1HB   MET  12          2HB       MET  12  -5.972   9.567  -1.149
   73   2HB   MET  12          1HB       MET  12  -4.626  10.334  -1.979
   74   1HG   MET  12          2HG       MET  12  -5.815  12.483  -1.877
   75   2HG   MET  12          1HG       MET  12  -7.117  11.698  -0.987
   76   1HE   MET  12          1HE       MET  12  -5.888  14.154  -0.285
   77   2HE   MET  12          2HE       MET  12  -4.626  14.216   0.947
   78   3HE   MET  12          3HE       MET  12  -6.282  13.807   1.399
   79    HA   PRO  13           HA       PRO  13  -5.036  11.583  -6.877
   80   1HB   PRO  13          2HB       PRO  13  -6.722  13.554  -7.676
   81   2HB   PRO  13          1HB       PRO  13  -7.034  11.842  -7.984
   82   1HG   PRO  13          2HG       PRO  13  -8.140  13.613  -5.839
   83   2HG   PRO  13          1HG       PRO  13  -8.977  12.411  -6.840
   84   1HD   PRO  13          2HD       PRO  13  -8.205  11.902  -4.296
   85   2HD   PRO  13          1HD       PRO  13  -8.252  10.644  -5.548
   86    H    ILE  14           H        ILE  14  -3.256  12.755  -6.578
   87    HA   ILE  14           HA       ILE  14  -3.481  15.531  -5.735
   88    HB   ILE  14           HB       ILE  14  -1.558  13.680  -4.328
   89   1HG1  ILE  14          2HG1      ILE  14  -4.155  14.868  -3.324
   90   2HG1  ILE  14          1HG1      ILE  14  -3.861  13.165  -3.660
   91   1HG2  ILE  14          1HG2      ILE  14  -2.327  16.525  -3.703
   92   2HG2  ILE  14          2HG2      ILE  14  -0.878  16.052  -4.589
   93   3HG2  ILE  14          3HG2      ILE  14  -1.085  15.557  -2.909
   94   1HD1  ILE  14          1HD1      ILE  14  -1.946  14.322  -1.797
   95   2HD1  ILE  14          2HD1      ILE  14  -2.889  12.836  -1.685
   96   3HD1  ILE  14          3HD1      ILE  14  -3.615  14.376  -1.228
   97    HA   PRO  15           HA       PRO  15  -0.474  15.939  -8.978
   98   1HB   PRO  15          2HB       PRO  15   0.600  18.352  -8.204
   99   2HB   PRO  15          1HB       PRO  15  -0.908  18.177  -9.108
  100   1HG   PRO  15          2HG       PRO  15  -0.494  18.597  -6.176
  101   2HG   PRO  15          1HG       PRO  15  -1.700  19.324  -7.253
  102   1HD   PRO  15          2HD       PRO  15  -2.327  17.303  -5.603
  103   2HD   PRO  15          1HD       PRO  15  -3.051  17.442  -7.220
  104    HA   PRO  16           HA       PRO  16   3.258  14.547  -6.988
  105   1HB   PRO  16          2HB       PRO  16   4.782  14.180  -9.152
  106   2HB   PRO  16          1HB       PRO  16   3.367  13.166  -8.842
  107   1HG   PRO  16          2HG       PRO  16   3.669  15.477 -10.714
  108   2HG   PRO  16          1HG       PRO  16   2.827  13.937 -10.962
  109   1HD   PRO  16          2HD       PRO  16   1.594  16.311 -10.263
  110   2HD   PRO  16          1HD       PRO  16   0.915  14.698  -9.978
  111    H    LEU  17           H        LEU  17   2.813  17.602  -8.038
  112    HA   LEU  17           HA       LEU  17   5.610  18.395  -8.120
  113   1HB   LEU  17          2HB       LEU  17   3.843  19.364  -9.641
  114   2HB   LEU  17          1HB       LEU  17   3.175  20.168  -8.233
  115    HG   LEU  17           HG       LEU  17   6.048  20.643  -8.672
  116   1HD1  LEU  17          1HD1      LEU  17   5.152  22.499 -10.374
  117   2HD1  LEU  17          2HD1      LEU  17   4.037  21.190 -10.766
  118   3HD1  LEU  17          3HD1      LEU  17   5.777  20.936 -10.897
  119   1HD2  LEU  17          1HD2      LEU  17   4.139  21.728  -7.105
  120   2HD2  LEU  17          2HD2      LEU  17   4.096  22.839  -8.474
  121   3HD2  LEU  17          3HD2      LEU  17   5.604  22.574  -7.599
  122    H    GLY  18           H        GLY  18   6.412  18.130  -6.067
  123   1HA   GLY  18          2HA       GLY  18   6.976  19.385  -4.103
  124   2HA   GLY  18          1HA       GLY  18   5.329  19.990  -4.065
  125    H    ILE  19           H        ILE  19   5.861  16.626  -4.657
  126    HA   ILE  19           HA       ILE  19   4.843  16.042  -1.964
  127    HB   ILE  19           HB       ILE  19   4.677  14.089  -4.236
  128   1HG1  ILE  19          2HG1      ILE  19   3.700  16.121  -5.138
  129   2HG1  ILE  19          1HG1      ILE  19   2.417  14.979  -4.747
  130   1HG2  ILE  19          1HG2      ILE  19   3.727  12.888  -2.619
  131   2HG2  ILE  19          2HG2      ILE  19   2.387  14.034  -2.635
  132   3HG2  ILE  19          3HG2      ILE  19   3.732  14.265  -1.518
  133   1HD1  ILE  19          1HD1      ILE  19   3.243  17.198  -2.901
  134   2HD1  ILE  19          2HD1      ILE  19   1.788  16.204  -2.831
  135   3HD1  ILE  19          3HD1      ILE  19   1.993  17.377  -4.131
  136    H    CYS  20           H        CYS  20   5.642  13.110  -3.063
  137    HA   CYS  20           HA       CYS  20   8.393  13.288  -2.035
  138   1HB   CYS  20          2HB       CYS  20   6.498  10.943  -1.797
  139   2HB   CYS  20          1HB       CYS  20   8.112  11.056  -1.106
  140    H    LYS  21           H        LYS  21   9.380  10.866  -2.609
  141    HA   LYS  21           HA       LYS  21   9.225  10.734  -5.548
  142   1HB   LYS  21          2HB       LYS  21  11.397  11.510  -4.720
  143   2HB   LYS  21          1HB       LYS  21  11.543  10.069  -3.722
  144   1HG   LYS  21          2HG       LYS  21  11.346   8.776  -5.939
  145   2HG   LYS  21          1HG       LYS  21  11.721  10.325  -6.698
  146   1HD   LYS  21          2HD       LYS  21  13.479   9.595  -4.462
  147   2HD   LYS  21          1HD       LYS  21  13.574   8.516  -5.855
  148   1HE   LYS  21          2HE       LYS  21  13.660  10.832  -7.152
  149   2HE   LYS  21          1HE       LYS  21  14.310  11.382  -5.608
  150   1HZ   LYS  21          1HZ       LYS  21  15.909   9.461  -5.798
  151   2HZ   LYS  21          2HZ       LYS  21  16.146  10.729  -6.892
  152   3HZ   LYS  21          3HZ       LYS  21  15.403   9.299  -7.405
  153    H    THR  22           H        THR  22   9.234   8.708  -6.559
  154    HA   THR  22           HA       THR  22   7.746   6.691  -5.364
  155    HB   THR  22           HB       THR  22   7.889   6.829  -7.757
  156    HG1  THR  22           1HG      THR  22   7.523   4.758  -7.238
  157   1HG2  THR  22          1HG2      THR  22  10.155   7.681  -8.011
  158   2HG2  THR  22          2HG2      THR  22   9.884   6.256  -9.014
  159   3HG2  THR  22          3HG2      THR  22  10.800   6.117  -7.515
  160    H    LEU  23           H        LEU  23   8.294   4.571  -4.668
  161    HA   LEU  23           HA       LEU  23  11.073   4.255  -3.768
  162   1HB   LEU  23          2HB       LEU  23   8.761   4.550  -2.175
  163   2HB   LEU  23          1HB       LEU  23   9.340   2.910  -1.987
  164    HG   LEU  23           HG       LEU  23  11.239   5.207  -1.711
  165   1HD1  LEU  23          1HD1      LEU  23  10.783   5.254   0.691
  166   2HD1  LEU  23          2HD1      LEU  23   9.444   4.131   0.459
  167   3HD1  LEU  23          3HD1      LEU  23   9.373   5.746  -0.246
  168   1HD2  LEU  23          1HD2      LEU  23  11.686   2.572  -1.757
  169   2HD2  LEU  23          2HD2      LEU  23  11.335   2.769  -0.040
  170   3HD2  LEU  23          3HD2      LEU  23  12.642   3.690  -0.785
  171    H    CYS  24           H        CYS  24   8.014   2.567  -4.382
  172    HA   CYS  24           HA       CYS  24   9.541   0.124  -4.962
  173   1HB   CYS  24          2HB       CYS  24   7.281  -0.995  -4.811
  174   2HB   CYS  24          1HB       CYS  24   7.878  -0.295  -3.311
  175    H    ASN  25           H        ASN  25   8.716  -1.235  -6.744
  176    HA   ASN  25           HA       ASN  25   7.863   0.438  -9.011
  177   1HB   ASN  25          2HB       ASN  25  10.185  -0.720  -8.985
  178   2HB   ASN  25          1HB       ASN  25   9.274  -2.188  -9.319
  179   1HD2  ASN  25          1HD2      ASN  25   9.915  -2.563 -11.363
  180   2HD2  ASN  25          2HD2      ASN  25   9.617  -1.496 -12.688
  181    H    SER  26           H        SER  26   7.015  -2.198  -7.022
  182    HA   SER  26           HA       SER  26   4.471  -2.497  -8.030
  183   1HB   SER  26          2HB       SER  26   6.472  -3.986  -9.527
  184   2HB   SER  26          1HB       SER  26   5.238  -5.042  -8.844
  185    HG   SER  26           HG       SER  26   3.689  -3.523  -9.794
  186    H    ASP  27           H        ASP  27   3.650  -4.890  -7.432
  187    HA   ASP  27           HA       ASP  27   3.624  -5.067  -4.690
  188   1HB   ASP  27          2HB       ASP  27   2.245  -6.304  -6.586
  189   2HB   ASP  27          1HB       ASP  27   3.383  -7.595  -6.226
  190    H    SER  28           H        SER  28   5.580  -7.040  -6.913
  191    HA   SER  28           HA       SER  28   6.975  -8.417  -4.876
  192   1HB   SER  28          2HB       SER  28   8.679  -8.710  -6.875
  193   2HB   SER  28          1HB       SER  28   7.114  -9.523  -6.901
  194    HG   SER  28           HG       SER  28   7.524  -6.972  -8.053
  195    H    GLY  29           H        GLY  29   7.261  -5.234  -6.098
  196   1HA   GLY  29          2HA       GLY  29  10.041  -4.891  -5.463
  197   2HA   GLY  29          1HA       GLY  29   8.921  -3.629  -5.934
  198    H    CYS  30           H        CYS  30   7.013  -4.416  -3.835
  199    HA   CYS  30           HA       CYS  30   8.086  -2.780  -1.749
  200   1HB   CYS  30          2HB       CYS  30   5.482  -4.088  -2.294
  201   2HB   CYS  30          1HB       CYS  30   5.825  -3.598  -0.641
  202    HA   PRO  31           HA       PRO  31   9.831  -5.880   0.755
  203   1HB   PRO  31          2HB       PRO  31   9.416  -4.203   3.109
  204   2HB   PRO  31          1HB       PRO  31  10.925  -4.647   2.309
  205   1HG   PRO  31          2HG       PRO  31   9.901  -2.138   2.235
  206   2HG   PRO  31          1HG       PRO  31  10.878  -2.821   0.922
  207   1HD   PRO  31          2HD       PRO  31   7.908  -2.507   1.110
  208   2HD   PRO  31          1HD       PRO  31   8.984  -2.258  -0.279
  209    H    ASN  32           H        ASN  32   9.475  -6.989   2.930
  210    HA   ASN  32           HA       ASN  32   8.187  -8.473   4.071
  211   1HB   ASN  32          2HB       ASN  32   6.659  -5.895   4.408
  212   2HB   ASN  32          1HB       ASN  32   6.244  -7.368   5.278
  213   1HD2  ASN  32          1HD2      ASN  32   7.794  -4.550   5.578
  214   2HD2  ASN  32          2HD2      ASN  32   8.985  -4.970   6.758
  215    H    VAL  33           H        VAL  33   5.296  -6.685   3.199
  216    HA   VAL  33           HA       VAL  33   4.574  -8.470   1.061
  217    HB   VAL  33           HB       VAL  33   4.073  -9.863   3.042
  218   1HG1  VAL  33          1HG1      VAL  33   2.264  -7.567   3.766
  219   2HG1  VAL  33          2HG1      VAL  33   3.597  -8.233   4.709
  220   3HG1  VAL  33          3HG1      VAL  33   2.129  -9.179   4.468
  221   1HG2  VAL  33          1HG2      VAL  33   1.369  -9.186   2.084
  222   2HG2  VAL  33          2HG2      VAL  33   2.225 -10.728   2.079
  223   3HG2  VAL  33          3HG2      VAL  33   2.566  -9.527   0.833
  224    H    GLN  34           H        GLN  34   4.809  -5.564   1.837
  225    HA   GLN  34           HA       GLN  34   2.157  -4.500   1.764
  226   1HB   GLN  34          2HB       GLN  34   4.911  -3.351   1.652
  227   2HB   GLN  34          1HB       GLN  34   3.504  -2.350   1.314
  228   1HG   GLN  34          2HG       GLN  34   2.638  -3.399   3.556
  229   2HG   GLN  34          1HG       GLN  34   4.358  -3.621   3.846
  230   1HE2  GLN  34          1HE2      GLN  34   5.432  -1.406   2.721
  231   2HE2  GLN  34          2HE2      GLN  34   4.885   0.008   3.542
  232    H    LYS  35           H        LYS  35   1.123  -3.472   0.046
  233    HA   LYS  35           HA       LYS  35   1.947  -4.363  -2.577
  234   1HB   LYS  35          2HB       LYS  35  -0.541  -3.486  -1.276
  235   2HB   LYS  35          1HB       LYS  35  -0.358  -2.945  -2.932
  236   1HG   LYS  35          2HG       LYS  35  -1.584  -5.058  -2.771
  237   2HG   LYS  35          1HG       LYS  35  -0.081  -5.230  -3.684
  238   1HD   LYS  35          2HD       LYS  35   1.013  -6.267  -1.844
  239   2HD   LYS  35          1HD       LYS  35  -0.311  -5.864  -0.750
  240   1HE   LYS  35          2HE       LYS  35  -1.792  -7.315  -2.152
  241   2HE   LYS  35          1HE       LYS  35  -0.353  -7.821  -3.034
  242   1HZ   LYS  35          1HZ       LYS  35  -0.229  -9.414  -1.497
  243   2HZ   LYS  35          2HZ       LYS  35  -1.284  -8.627  -0.436
  244   3HZ   LYS  35          3HZ       LYS  35   0.356  -8.215  -0.458
  245    H    CYS  36           H        CYS  36   2.236  -2.929  -4.338
  246    HA   CYS  36           HA       CYS  36   3.144  -0.278  -3.487
  247   1HB   CYS  36          2HB       CYS  36   4.711  -1.792  -4.735
  248   2HB   CYS  36          1HB       CYS  36   3.649  -1.658  -6.133
  249    H    CYS  37           H        CYS  37   1.314   0.938  -3.439
  250    HA   CYS  37           HA       CYS  37   0.000   1.407  -6.028
  251   1HB   CYS  37          2HB       CYS  37  -1.246   0.112  -3.991
  252   2HB   CYS  37          1HB       CYS  37  -1.663   1.779  -3.617
  253    H    LYS  38           H        LYS  38  -1.584   3.459  -5.501
  254    HA   LYS  38           HA       LYS  38   0.293   5.559  -4.690
  255   1HB   LYS  38          2HB       LYS  38  -1.173   5.385  -6.944
  256   2HB   LYS  38          1HB       LYS  38  -2.303   6.273  -5.931
  257   1HG   LYS  38          2HG       LYS  38  -0.855   8.089  -5.699
  258   2HG   LYS  38          1HG       LYS  38   0.545   7.153  -6.229
  259   1HD   LYS  38          2HD       LYS  38  -1.797   7.711  -8.033
  260   2HD   LYS  38          1HD       LYS  38  -0.429   8.818  -7.892
  261   1HE   LYS  38          2HE       LYS  38   1.078   7.235  -8.758
  262   2HE   LYS  38          1HE       LYS  38  -0.057   5.906  -8.525
  263   1HZ   LYS  38          1HZ       LYS  38   0.329   7.393 -10.821
  264   2HZ   LYS  38          2HZ       LYS  38  -1.180   7.873 -10.225
  265   3HZ   LYS  38          3HZ       LYS  38  -0.876   6.239 -10.542
  266    H    ASN  39           H        ASN  39  -0.304   4.658  -2.437
  267    HA   ASN  39           HA       ASN  39  -2.659   6.119  -1.433
  268   1HB   ASN  39          2HB       ASN  39  -1.736   3.392  -0.976
  269   2HB   ASN  39          1HB       ASN  39  -1.985   4.271   0.530
  270   1HD2  ASN  39          1HD2      ASN  39  -3.905   3.916   1.342
  271   2HD2  ASN  39          2HD2      ASN  39  -5.374   3.722   0.454
  272    H    GLY  40           H        GLY  40   0.702   5.229  -0.811
  273   1HA   GLY  40          2HA       GLY  40   1.030   6.535   1.646
  274   2HA   GLY  40          1HA       GLY  40   2.316   6.206   0.495
  275    H    CYS  41           H        CYS  41   3.304   7.905  -0.376
  276    HA   CYS  41           HA       CYS  41   2.167  10.551   0.075
  277   1HB   CYS  41          2HB       CYS  41   4.615   9.853   0.569
  278   2HB   CYS  41          1HB       CYS  41   4.853  10.023  -1.167
  279    H    GLY  42           H        GLY  42   3.590   8.713  -2.631
  280   1HA   GLY  42          2HA       GLY  42   1.630   9.384  -4.495
  281   2HA   GLY  42          1HA       GLY  42   2.889  10.603  -4.616
  282    H    PHE  43           H        PHE  43   2.540   9.315  -6.840
  283    HA   PHE  43           HA       PHE  43   3.566   8.104  -8.458
  284   1HB   PHE  43          2HB       PHE  43   5.801   8.043  -6.423
  285   2HB   PHE  43          1HB       PHE  43   5.961   7.479  -8.084
  286    HD1  PHE  43           1HD      PHE  43   5.809  10.351  -5.887
  287    HD2  PHE  43           2HD      PHE  43   5.830   9.082  -9.949
  288    HE1  PHE  43           1HE      PHE  43   6.364  12.641  -6.594
  289    HE2  PHE  43           2HE      PHE  43   6.386  11.371 -10.665
  290    HZ   PHE  43           HZ       PHE  43   6.654  13.154  -8.986
  291    H    MET  44           H        MET  44   5.308   6.236  -6.045
  292    HA   MET  44           HA       MET  44   3.345   4.100  -6.099
  293   1HB   MET  44          2HB       MET  44   5.712   4.106  -7.780
  294   2HB   MET  44          1HB       MET  44   5.712   2.735  -6.679
  295   1HG   MET  44          2HG       MET  44   4.334   1.678  -8.038
  296   2HG   MET  44          1HG       MET  44   3.112   2.909  -7.725
  297   1HE   MET  44          1HE       MET  44   1.851   3.458  -9.837
  298   2HE   MET  44          2HE       MET  44   2.388   1.824 -10.227
  299   3HE   MET  44          3HE       MET  44   2.507   3.102 -11.435
  300    H    THR  45           H        THR  45   3.178   4.248  -3.886
  301    HA   THR  45           HA       THR  45   5.624   3.703  -2.339
  302    HB   THR  45           HB       THR  45   4.520   4.707  -0.430
  303    HG1  THR  45           1HG      THR  45   2.391   4.087  -0.865
  304   1HG2  THR  45          1HG2      THR  45   5.356   6.153  -2.566
  305   2HG2  THR  45          2HG2      THR  45   4.857   6.832  -1.018
  306   3HG2  THR  45          3HG2      THR  45   3.711   6.751  -2.355
  307    H    CYS  46           H        CYS  46   5.209   2.435  -0.283
  308    HA   CYS  46           HA       CYS  46   3.658   0.072  -0.995
  309   1HB   CYS  46          2HB       CYS  46   5.671   0.536   1.204
  310   2HB   CYS  46          1HB       CYS  46   4.847  -0.987   0.914
  311    H    THR  47           H        THR  47   2.016  -0.739   0.174
  312    HA   THR  47           HA       THR  47   1.158   0.643   2.604
  313    HB   THR  47           HB       THR  47  -0.024   1.699   0.701
  314    HG1  THR  47           1HG      THR  47  -1.500   1.894   2.156
  315   1HG2  THR  47          1HG2      THR  47  -1.638   0.552  -0.603
  316   2HG2  THR  47          2HG2      THR  47  -1.390  -0.945   0.295
  317   3HG2  THR  47          3HG2      THR  47  -0.115  -0.325  -0.755
  318    H    THR  48           H        THR  48  -1.164  -0.596   3.134
  319    HA   THR  48           HA       THR  48  -0.303  -3.282   3.742
  320    HB   THR  48           HB       THR  48  -2.934  -1.968   4.387
  321    HG1  THR  48           1HG      THR  48  -1.565  -0.695   5.427
  322   1HG2  THR  48          1HG2      THR  48  -3.208  -3.532   6.101
  323   2HG2  THR  48          2HG2      THR  48  -1.542  -4.097   5.964
  324   3HG2  THR  48          3HG2      THR  48  -2.707  -4.472   4.695
  325    HA   PRO  49           HA       PRO  49  -2.362  -5.194   0.304
  326   1HB   PRO  49          2HB       PRO  49  -2.515  -7.731   1.256
  327   2HB   PRO  49          1HB       PRO  49  -1.007  -7.016   0.676
  328   1HG   PRO  49          2HG       PRO  49  -1.998  -7.323   3.486
  329   2HG   PRO  49          1HG       PRO  49  -0.377  -7.625   2.833
  330   1HD   PRO  49          2HD       PRO  49  -0.996  -5.359   4.167
  331   2HD   PRO  49          1HD       PRO  49   0.179  -5.385   2.837
  332    H    VAL  50           H        VAL  50  -4.447  -5.424  -0.295
  333    HA   VAL  50           HA       VAL  50  -6.461  -5.529   1.833
  334    HB   VAL  50           HB       VAL  50  -6.540  -3.666   0.160
  335   1HG1  VAL  50          1HG1      VAL  50  -7.761  -5.462  -1.848
  336   2HG1  VAL  50          2HG1      VAL  50  -6.003  -5.487  -1.718
  337   3HG1  VAL  50          3HG1      VAL  50  -6.841  -3.974  -2.065
  338   1HG2  VAL  50          1HG2      VAL  50  -8.508  -4.303   1.449
  339   2HG2  VAL  50          2HG2      VAL  50  -8.935  -5.500   0.225
  340   3HG2  VAL  50          3HG2      VAL  50  -8.960  -3.781  -0.174
  341    HA   PRO  51           HA       PRO  51  -7.402  -9.742   0.770
  342   1HB   PRO  51          2HB       PRO  51  -9.835  -9.932   1.960
  343   2HB   PRO  51          1HB       PRO  51  -8.318  -9.937   2.868
  344   1HG   PRO  51          2HG       PRO  51 -10.225  -7.681   2.379
  345   2HG   PRO  51          1HG       PRO  51  -9.398  -8.140   3.879
  346   1HD   PRO  51          2HD       PRO  51  -8.532  -6.115   2.313
  347   2HD   PRO  51          1HD       PRO  51  -7.418  -7.139   3.242
  Start of MODEL    9
    1   1H    ASN   1          1HT       ASN   1   4.480 -10.356 -11.478
    2   2H    ASN   1          2HT       ASN   1   3.033 -11.280 -11.461
    3   3H    ASN   1          3HT       ASN   1   4.158 -11.418 -10.172
    4    HA   ASN   1           HA       ASN   1   3.781  -9.136  -9.587
    5   1HB   ASN   1          2HB       ASN   1   1.904  -7.950 -10.677
    6   2HB   ASN   1          1HB       ASN   1   3.189  -8.333 -11.818
    7   1HD2  ASN   1          1HD2      ASN   1   2.819  -9.794 -13.444
    8   2HD2  ASN   1          2HD2      ASN   1   1.247 -10.399 -13.826
    9    H    GLU   2           H        GLU   2   1.720  -8.420  -8.414
   10    HA   GLU   2           HA       GLU   2   0.091  -8.865  -6.894
   11   1HB   GLU   2          2HB       GLU   2  -0.550 -10.486  -9.204
   12   2HB   GLU   2          1HB       GLU   2  -1.076 -11.275  -7.724
   13   1HG   GLU   2          2HG       GLU   2  -2.537  -9.565  -7.177
   14   2HG   GLU   2          1HG       GLU   2  -1.717  -8.399  -8.214
   15    H    LYS   3           H        LYS   3   0.594  -9.513  -4.919
   16    HA   LYS   3           HA       LYS   3   2.181 -11.921  -4.537
   17   1HB   LYS   3          2HB       LYS   3   2.224  -9.456  -3.333
   18   2HB   LYS   3          1HB       LYS   3   1.362 -10.426  -2.147
   19   1HG   LYS   3          2HG       LYS   3   3.179 -11.929  -1.924
   20   2HG   LYS   3          1HG       LYS   3   4.001 -11.246  -3.328
   21   1HD   LYS   3          2HD       LYS   3   3.356  -9.464  -1.026
   22   2HD   LYS   3          1HD       LYS   3   4.714 -10.583  -0.883
   23   1HE   LYS   3          2HE       LYS   3   4.960  -9.387  -3.408
   24   2HE   LYS   3          1HE       LYS   3   4.545  -8.084  -2.295
   25   1HZ   LYS   3          1HZ       LYS   3   6.580  -9.943  -1.375
   26   2HZ   LYS   3          2HZ       LYS   3   6.500  -8.260  -1.221
   27   3HZ   LYS   3          3HZ       LYS   3   7.024  -8.952  -2.673
   28    H    SER   4           H        SER   4  -0.659 -10.536  -2.876
   29    HA   SER   4           HA       SER   4  -1.867 -13.207  -2.837
   30   1HB   SER   4          2HB       SER   4  -1.054 -11.579  -0.486
   31   2HB   SER   4          1HB       SER   4  -2.615 -12.393  -0.389
   32    HG   SER   4           HG       SER   4  -1.537 -14.134   0.030
   33    H    GLY   5           H        GLY   5  -2.665 -10.062  -1.357
   34   1HA   GLY   5          2HA       GLY   5  -5.357 -10.259  -2.452
   35   2HA   GLY   5          1HA       GLY   5  -4.794  -9.089  -1.271
   36    H    SER   6           H        SER   6  -5.171  -7.158  -2.105
   37    HA   SER   6           HA       SER   6  -3.867  -6.430  -4.589
   38   1HB   SER   6          2HB       SER   6  -5.801  -5.588  -5.685
   39   2HB   SER   6          1HB       SER   6  -6.242  -7.201  -5.124
   40    HG   SER   6           HG       SER   6  -7.427  -6.311  -3.494
   41    H    CYS   7           H        CYS   7  -4.993  -3.931  -4.913
   42    HA   CYS   7           HA       CYS   7  -3.708  -2.477  -2.791
   43   1HB   CYS   7          2HB       CYS   7  -3.396  -1.649  -5.015
   44   2HB   CYS   7          1HB       CYS   7  -5.128  -1.623  -5.319
   45    HA   PRO   8           HA       PRO   8  -7.453  -1.747  -0.509
   46   1HB   PRO   8          2HB       PRO   8  -6.512  -0.044   1.326
   47   2HB   PRO   8          1HB       PRO   8  -6.002  -1.735   1.296
   48   1HG   PRO   8          2HG       PRO   8  -4.564   0.697   0.332
   49   2HG   PRO   8          1HG       PRO   8  -3.924  -0.729   1.167
   50   1HD   PRO   8          2HD       PRO   8  -3.803  -0.293  -1.569
   51   2HD   PRO   8          1HD       PRO   8  -3.645  -1.873  -0.782
   52    H    ASP   9           H        ASP   9  -8.910   0.008   0.118
   53    HA   ASP   9           HA       ASP   9  -8.603   2.384  -1.601
   54   1HB   ASP   9          2HB       ASP   9 -10.476   0.544  -2.032
   55   2HB   ASP   9          1HB       ASP   9 -11.317   1.456  -0.782
   56    H    MET  10           H        MET  10 -10.203   1.176   1.338
   57    HA   MET  10           HA       MET  10 -10.941   2.247   3.216
   58   1HB   MET  10          2HB       MET  10  -9.213   3.491   4.389
   59   2HB   MET  10          1HB       MET  10  -8.523   2.071   3.616
   60   1HG   MET  10          2HG       MET  10  -7.596   3.414   1.855
   61   2HG   MET  10          1HG       MET  10  -8.405   4.851   2.476
   62   1HE   MET  10          1HE       MET  10  -6.713   6.579   4.315
   63   2HE   MET  10          2HE       MET  10  -6.796   5.573   5.761
   64   3HE   MET  10          3HE       MET  10  -8.191   5.692   4.688
   65    H    SER  11           H        SER  11 -11.754   3.496   0.697
   66    HA   SER  11           HA       SER  11 -12.715   5.389  -0.118
   67   1HB   SER  11          2HB       SER  11 -14.019   6.696   1.542
   68   2HB   SER  11          1HB       SER  11 -14.244   4.957   1.720
   69    HG   SER  11           HG       SER  11 -13.383   5.055   3.635
   70    H    MET  12           H        MET  12 -11.784   7.060   2.840
   71    HA   MET  12           HA       MET  12 -10.575   9.175   1.355
   72   1HB   MET  12          2HB       MET  12 -11.807   9.383   3.566
   73   2HB   MET  12          1HB       MET  12 -10.365   8.726   4.329
   74   1HG   MET  12          2HG       MET  12  -9.053  10.594   3.517
   75   2HG   MET  12          1HG       MET  12 -10.461  11.240   2.678
   76   1HE   MET  12          1HE       MET  12  -9.012  13.197   5.766
   77   2HE   MET  12          2HE       MET  12 -10.232  13.913   4.713
   78   3HE   MET  12          3HE       MET  12  -8.929  12.947   4.023
   79    HA   PRO  13           HA       PRO  13  -6.591   7.100   0.984
   80   1HB   PRO  13          2HB       PRO  13  -5.783   9.819   0.101
   81   2HB   PRO  13          1HB       PRO  13  -5.566   8.261  -0.706
   82   1HG   PRO  13          2HG       PRO  13  -7.386  10.001  -1.575
   83   2HG   PRO  13          1HG       PRO  13  -7.717   8.258  -1.572
   84   1HD   PRO  13          2HD       PRO  13  -8.663  10.373   0.323
   85   2HD   PRO  13          1HD       PRO  13  -9.539   8.977  -0.339
   86    H    ILE  14           H        ILE  14  -4.235   8.564   1.274
   87    HA   ILE  14           HA       ILE  14  -4.338   9.220   4.140
   88    HB   ILE  14           HB       ILE  14  -2.916   7.296   3.543
   89   1HG1  ILE  14          2HG1      ILE  14  -1.404   9.735   4.504
   90   2HG1  ILE  14          1HG1      ILE  14  -2.348   8.637   5.504
   91   1HG2  ILE  14          1HG2      ILE  14  -1.376   7.300   1.913
   92   2HG2  ILE  14          2HG2      ILE  14  -0.812   8.922   2.312
   93   3HG2  ILE  14          3HG2      ILE  14  -2.252   8.709   1.318
   94   1HD1  ILE  14          1HD1      ILE  14   0.386   8.457   4.692
   95   2HD1  ILE  14          2HD1      ILE  14  -0.501   7.035   4.145
   96   3HD1  ILE  14          3HD1      ILE  14  -0.505   7.474   5.852
   97    HA   PRO  15           HA       PRO  15  -3.524  13.514   3.400
   98   1HB   PRO  15          2HB       PRO  15  -1.617  13.163   5.671
   99   2HB   PRO  15          1HB       PRO  15  -2.860  14.397   5.427
  100   1HG   PRO  15          2HG       PRO  15  -3.273  12.389   7.119
  101   2HG   PRO  15          1HG       PRO  15  -4.581  12.979   6.077
  102   1HD   PRO  15          2HD       PRO  15  -2.951  10.495   5.851
  103   2HD   PRO  15          1HD       PRO  15  -4.649  10.776   5.418
  104    HA   PRO  16           HA       PRO  16   0.325  12.721   1.091
  105   1HB   PRO  16          2HB       PRO  16  -0.610  14.830  -0.685
  106   2HB   PRO  16          1HB       PRO  16  -0.353  13.120  -1.031
  107   1HG   PRO  16          2HG       PRO  16  -2.818  14.257  -0.945
  108   2HG   PRO  16          1HG       PRO  16  -2.520  12.559  -0.530
  109   1HD   PRO  16          2HD       PRO  16  -2.898  14.917   1.281
  110   2HD   PRO  16          1HD       PRO  16  -3.538  13.264   1.432
  111    H    LEU  17           H        LEU  17   0.429  14.300   3.412
  112    HA   LEU  17           HA       LEU  17   1.422  16.917   2.679
  113   1HB   LEU  17          2HB       LEU  17   0.121  16.374   4.798
  114   2HB   LEU  17          1HB       LEU  17   1.583  15.606   5.385
  115    HG   LEU  17           HG       LEU  17   1.795  18.416   4.434
  116   1HD1  LEU  17          1HD1      LEU  17   1.010  18.074   7.257
  117   2HD1  LEU  17          2HD1      LEU  17  -0.276  17.916   6.059
  118   3HD1  LEU  17          3HD1      LEU  17   0.682  19.395   6.135
  119   1HD2  LEU  17          1HD2      LEU  17   3.161  18.272   6.727
  120   2HD2  LEU  17          2HD2      LEU  17   3.837  17.777   5.175
  121   3HD2  LEU  17          3HD2      LEU  17   3.181  16.567   6.277
  122    H    GLY  18           H        GLY  18   2.690  13.773   3.530
  123   1HA   GLY  18          2HA       GLY  18   5.367  14.717   2.800
  124   2HA   GLY  18          1HA       GLY  18   5.165  13.947   4.366
  125    H    ILE  19           H        ILE  19   3.175  12.801   1.809
  126    HA   ILE  19           HA       ILE  19   4.942  10.466   1.478
  127    HB   ILE  19           HB       ILE  19   1.928  10.388   1.383
  128   1HG1  ILE  19          2HG1      ILE  19   2.748  10.982   3.650
  129   2HG1  ILE  19          1HG1      ILE  19   1.983   9.396   3.602
  130   1HG2  ILE  19          1HG2      ILE  19   2.289   7.950   1.585
  131   2HG2  ILE  19          2HG2      ILE  19   4.028   8.227   1.468
  132   3HG2  ILE  19          3HG2      ILE  19   2.977   8.631   0.110
  133   1HD1  ILE  19          1HD1      ILE  19   3.907   8.307   4.070
  134   2HD1  ILE  19          2HD1      ILE  19   4.290   9.849   4.834
  135   3HD1  ILE  19          3HD1      ILE  19   4.912   9.483   3.226
  136    H    CYS  20           H        CYS  20   5.782  11.681  -0.377
  137    HA   CYS  20           HA       CYS  20   4.267  11.029  -2.774
  138   1HB   CYS  20          2HB       CYS  20   3.703  13.411  -2.095
  139   2HB   CYS  20          1HB       CYS  20   5.385  13.812  -2.427
  140    H    LYS  21           H        LYS  21   5.944   9.460  -2.988
  141    HA   LYS  21           HA       LYS  21   8.055  10.246  -4.657
  142   1HB   LYS  21          2HB       LYS  21   8.618  10.366  -1.813
  143   2HB   LYS  21          1HB       LYS  21   9.684   9.230  -2.630
  144   1HG   LYS  21          2HG       LYS  21   9.844  11.295  -4.332
  145   2HG   LYS  21          1HG       LYS  21   9.526  12.166  -2.831
  146   1HD   LYS  21          2HD       LYS  21  11.549  11.670  -1.970
  147   2HD   LYS  21          1HD       LYS  21  11.535  10.032  -2.624
  148   1HE   LYS  21          2HE       LYS  21  12.029  12.504  -4.273
  149   2HE   LYS  21          1HE       LYS  21  13.309  11.518  -3.569
  150   1HZ   LYS  21          1HZ       LYS  21  12.896   9.798  -4.997
  151   2HZ   LYS  21          2HZ       LYS  21  12.505  11.106  -5.996
  152   3HZ   LYS  21          3HZ       LYS  21  11.276  10.222  -5.244
  153    H    THR  22           H        THR  22   7.951   8.545  -5.971
  154    HA   THR  22           HA       THR  22   7.087   5.978  -5.256
  155    HB   THR  22           HB       THR  22   6.956   6.618  -7.546
  156    HG1  THR  22           1HG      THR  22   7.640   4.391  -7.038
  157   1HG2  THR  22          1HG2      THR  22   9.417   7.852  -7.167
  158   2HG2  THR  22          2HG2      THR  22   8.479   7.769  -8.658
  159   3HG2  THR  22          3HG2      THR  22   9.721   6.560  -8.328
  160    H    LEU  23           H        LEU  23   8.063   4.442  -4.124
  161    HA   LEU  23           HA       LEU  23  11.004   4.470  -3.971
  162   1HB   LEU  23          2HB       LEU  23  10.707   3.280  -1.798
  163   2HB   LEU  23          1HB       LEU  23  10.101   4.925  -1.818
  164    HG   LEU  23           HG       LEU  23   7.797   3.911  -2.252
  165   1HD1  LEU  23          1HD1      LEU  23   8.037   1.490  -0.978
  166   2HD1  LEU  23          2HD1      LEU  23   9.426   1.505  -2.063
  167   3HD1  LEU  23          3HD1      LEU  23   7.801   1.728  -2.708
  168   1HD2  LEU  23          1HD2      LEU  23   7.831   3.044   0.280
  169   2HD2  LEU  23          2HD2      LEU  23   7.877   4.753  -0.153
  170   3HD2  LEU  23          3HD2      LEU  23   9.370   3.906   0.249
  171    H    CYS  24           H        CYS  24   8.186   2.550  -4.655
  172    HA   CYS  24           HA       CYS  24   9.929   0.228  -5.157
  173   1HB   CYS  24          2HB       CYS  24   8.039  -1.215  -4.757
  174   2HB   CYS  24          1HB       CYS  24   8.205  -0.118  -3.392
  175    H    ASN  25           H        ASN  25   8.872  -1.293  -6.843
  176    HA   ASN  25           HA       ASN  25   8.014   0.355  -9.130
  177   1HB   ASN  25          2HB       ASN  25  10.025  -1.798  -8.871
  178   2HB   ASN  25          1HB       ASN  25   9.023  -1.860 -10.318
  179   1HD2  ASN  25          1HD2      ASN  25   8.922   0.106 -11.622
  180   2HD2  ASN  25          2HD2      ASN  25  10.324   1.110 -11.718
  181    H    SER  26           H        SER  26   7.246  -2.319  -7.114
  182    HA   SER  26           HA       SER  26   4.659  -2.582  -8.050
  183   1HB   SER  26          2HB       SER  26   5.555  -3.548 -10.076
  184   2HB   SER  26          1HB       SER  26   6.558  -4.664  -9.149
  185    HG   SER  26           HG       SER  26   4.884  -5.923  -9.477
  186    H    ASP  27           H        ASP  27   3.748  -4.875  -7.347
  187    HA   ASP  27           HA       ASP  27   3.746  -5.056  -4.646
  188   1HB   ASP  27          2HB       ASP  27   2.377  -6.353  -6.444
  189   2HB   ASP  27          1HB       ASP  27   3.605  -7.589  -6.213
  190    H    SER  28           H        SER  28   5.672  -7.243  -6.700
  191    HA   SER  28           HA       SER  28   7.095  -8.447  -4.616
  192   1HB   SER  28          2HB       SER  28   6.941  -8.881  -7.278
  193   2HB   SER  28          1HB       SER  28   8.521  -8.103  -7.191
  194    HG   SER  28           HG       SER  28   8.616 -10.397  -6.938
  195    H    GLY  29           H        GLY  29   7.401  -5.325  -6.010
  196   1HA   GLY  29          2HA       GLY  29  10.136  -4.853  -5.437
  197   2HA   GLY  29          1HA       GLY  29   8.925  -3.628  -5.742
  198    H    CYS  30           H        CYS  30   7.213  -3.785  -3.766
  199    HA   CYS  30           HA       CYS  30   8.526  -2.583  -1.607
  200   1HB   CYS  30          2HB       CYS  30   5.766  -3.467  -2.156
  201   2HB   CYS  30          1HB       CYS  30   6.189  -3.260  -0.461
  202    HA   PRO  31           HA       PRO  31  10.012  -5.938   0.717
  203   1HB   PRO  31          2HB       PRO  31   9.789  -4.321   3.147
  204   2HB   PRO  31          1HB       PRO  31  11.236  -4.908   2.323
  205   1HG   PRO  31          2HG       PRO  31  10.526  -2.302   2.329
  206   2HG   PRO  31          1HG       PRO  31  11.375  -3.057   0.968
  207   1HD   PRO  31          2HD       PRO  31   8.469  -2.400   1.261
  208   2HD   PRO  31          1HD       PRO  31   9.530  -2.223  -0.152
  209    H    ASN  32           H        ASN  32   9.629  -6.889   3.065
  210    HA   ASN  32           HA       ASN  32   8.282  -8.284   4.242
  211   1HB   ASN  32          2HB       ASN  32   6.728  -5.698   4.317
  212   2HB   ASN  32          1HB       ASN  32   6.302  -7.103   5.289
  213   1HD2  ASN  32          1HD2      ASN  32   8.629  -4.579   4.761
  214   2HD2  ASN  32          2HD2      ASN  32   9.463  -4.756   6.264
  215    H    VAL  33           H        VAL  33   5.343  -6.694   3.304
  216    HA   VAL  33           HA       VAL  33   4.754  -8.542   1.171
  217    HB   VAL  33           HB       VAL  33   2.592  -9.163   2.388
  218   1HG1  VAL  33          1HG1      VAL  33   3.604 -11.158   3.335
  219   2HG1  VAL  33          2HG1      VAL  33   5.185 -10.378   3.310
  220   3HG1  VAL  33          3HG1      VAL  33   4.360 -10.750   1.796
  221   1HG2  VAL  33          1HG2      VAL  33   2.349  -8.843   4.606
  222   2HG2  VAL  33          2HG2      VAL  33   3.495  -7.531   4.333
  223   3HG2  VAL  33          3HG2      VAL  33   4.065  -9.090   4.930
  224    H    GLN  34           H        GLN  34   4.955  -5.621   1.754
  225    HA   GLN  34           HA       GLN  34   2.251  -4.638   1.576
  226   1HB   GLN  34          2HB       GLN  34   4.899  -3.210   1.343
  227   2HB   GLN  34          1HB       GLN  34   3.328  -2.434   1.448
  228   1HG   GLN  34          2HG       GLN  34   2.991  -3.451   3.657
  229   2HG   GLN  34          1HG       GLN  34   4.604  -4.152   3.553
  230   1HE2  GLN  34          1HE2      GLN  34   3.034  -0.997   3.131
  231   2HE2  GLN  34          2HE2      GLN  34   4.232  -0.093   3.984
  232    H    LYS  35           H        LYS  35   1.258  -3.736  -0.197
  233    HA   LYS  35           HA       LYS  35   2.317  -4.534  -2.771
  234   1HB   LYS  35          2HB       LYS  35  -0.307  -3.918  -1.619
  235   2HB   LYS  35          1HB       LYS  35  -0.081  -3.277  -3.235
  236   1HG   LYS  35          2HG       LYS  35  -1.065  -5.404  -3.489
  237   2HG   LYS  35          1HG       LYS  35   0.633  -5.593  -3.929
  238   1HD   LYS  35          2HD       LYS  35   1.113  -6.845  -2.083
  239   2HD   LYS  35          1HD       LYS  35  -0.120  -6.058  -1.097
  240   1HE   LYS  35          2HE       LYS  35  -1.438  -7.417  -3.205
  241   2HE   LYS  35          1HE       LYS  35  -0.262  -8.524  -2.500
  242   1HZ   LYS  35          1HZ       LYS  35  -1.808  -7.025  -0.576
  243   2HZ   LYS  35          2HZ       LYS  35  -1.419  -8.672  -0.605
  244   3HZ   LYS  35          3HZ       LYS  35  -2.717  -8.093  -1.520
  245    H    CYS  36           H        CYS  36   1.845  -2.877  -4.603
  246    HA   CYS  36           HA       CYS  36   2.841  -0.258  -3.695
  247   1HB   CYS  36          2HB       CYS  36   3.367  -1.767  -6.256
  248   2HB   CYS  36          1HB       CYS  36   3.757  -0.061  -6.056
  249    H    CYS  37           H        CYS  37   1.258   1.186  -3.700
  250    HA   CYS  37           HA       CYS  37  -0.447   1.376  -6.080
  251   1HB   CYS  37          2HB       CYS  37  -1.426   0.326  -3.793
  252   2HB   CYS  37          1HB       CYS  37  -1.731   2.030  -3.494
  253    H    LYS  38           H        LYS  38  -1.902   3.521  -5.594
  254    HA   LYS  38           HA       LYS  38   0.098   5.641  -5.347
  255   1HB   LYS  38          2HB       LYS  38  -1.700   5.275  -7.279
  256   2HB   LYS  38          1HB       LYS  38  -2.703   6.214  -6.182
  257   1HG   LYS  38          2HG       LYS  38  -1.406   8.106  -6.398
  258   2HG   LYS  38          1HG       LYS  38   0.019   7.197  -6.906
  259   1HD   LYS  38          2HD       LYS  38  -1.714   6.590  -8.900
  260   2HD   LYS  38          1HD       LYS  38  -2.237   8.225  -8.490
  261   1HE   LYS  38          2HE       LYS  38  -0.177   9.155  -9.032
  262   2HE   LYS  38          1HE       LYS  38   0.666   7.613  -8.886
  263   1HZ   LYS  38          1HZ       LYS  38  -0.818   8.714 -11.134
  264   2HZ   LYS  38          2HZ       LYS  38  -0.989   7.052 -10.873
  265   3HZ   LYS  38          3HZ       LYS  38   0.547   7.714 -11.123
  266    H    ASN  39           H        ASN  39  -0.679   4.461  -2.935
  267    HA   ASN  39           HA       ASN  39  -2.684   6.139  -1.698
  268   1HB   ASN  39          2HB       ASN  39  -0.958   3.867  -0.758
  269   2HB   ASN  39          1HB       ASN  39  -1.817   4.871   0.406
  270   1HD2  ASN  39          1HD2      ASN  39  -4.078   4.858   0.421
  271   2HD2  ASN  39          2HD2      ASN  39  -4.980   3.577  -0.307
  272    H    GLY  40           H        GLY  40  -1.416   8.119  -2.299
  273   1HA   GLY  40          2HA       GLY  40  -0.526   9.607  -0.314
  274   2HA   GLY  40          1HA       GLY  40   0.902   8.620  -0.586
  275    H    CYS  41           H        CYS  41  -0.932  11.311  -1.629
  276    HA   CYS  41           HA       CYS  41  -0.555  12.957  -3.145
  277   1HB   CYS  41          2HB       CYS  41   1.626  13.159  -2.163
  278   2HB   CYS  41          1HB       CYS  41   2.214  11.758  -3.049
  279    H    GLY  42           H        GLY  42   1.707  10.648  -4.606
  280   1HA   GLY  42          2HA       GLY  42   0.017   9.493  -6.488
  281   2HA   GLY  42          1HA       GLY  42   0.603  10.992  -7.195
  282    H    PHE  43           H        PHE  43   1.666   7.946  -5.735
  283    HA   PHE  43           HA       PHE  43   3.670   7.593  -7.742
  284   1HB   PHE  43          2HB       PHE  43   4.442   8.547  -5.017
  285   2HB   PHE  43          1HB       PHE  43   5.483   7.383  -5.830
  286    HD1  PHE  43           1HD      PHE  43   5.166  10.705  -5.185
  287    HD2  PHE  43           2HD      PHE  43   5.740   8.084  -8.488
  288    HE1  PHE  43           1HE      PHE  43   6.213  12.537  -6.452
  289    HE2  PHE  43           2HE      PHE  43   6.789   9.910  -9.761
  290    HZ   PHE  43           HZ       PHE  43   7.026  12.140  -8.743
  291    H    MET  44           H        MET  44   5.129   5.630  -7.056
  292    HA   MET  44           HA       MET  44   3.280   3.548  -6.213
  293   1HB   MET  44          2HB       MET  44   5.911   3.593  -7.638
  294   2HB   MET  44          1HB       MET  44   5.378   2.107  -6.863
  295   1HG   MET  44          2HG       MET  44   3.642   3.595  -8.801
  296   2HG   MET  44          1HG       MET  44   4.842   2.417  -9.330
  297   1HE   MET  44          1HE       MET  44   1.027   2.251  -7.240
  298   2HE   MET  44          2HE       MET  44   0.799   1.819  -8.935
  299   3HE   MET  44          3HE       MET  44   1.654   3.302  -8.510
  300    H    THR  45           H        THR  45   3.161   3.846  -3.984
  301    HA   THR  45           HA       THR  45   5.656   3.315  -2.504
  302    HB   THR  45           HB       THR  45   4.658   4.476  -0.601
  303    HG1  THR  45           1HG      THR  45   2.653   5.532  -0.880
  304   1HG2  THR  45          1HG2      THR  45   4.185   6.307  -2.914
  305   2HG2  THR  45          2HG2      THR  45   5.811   5.780  -2.483
  306   3HG2  THR  45          3HG2      THR  45   4.835   6.671  -1.316
  307    H    CYS  46           H        CYS  46   5.236   2.221  -0.336
  308    HA   CYS  46           HA       CYS  46   3.821  -0.211  -0.845
  309   1HB   CYS  46          2HB       CYS  46   5.166   0.744   1.685
  310   2HB   CYS  46          1HB       CYS  46   4.593  -0.890   1.389
  311    H    THR  47           H        THR  47   1.961  -0.925  -0.020
  312    HA   THR  47           HA       THR  47   0.491   0.766   1.869
  313    HB   THR  47           HB       THR  47  -0.272   1.354  -0.398
  314    HG1  THR  47           1HG      THR  47  -1.748   1.185   1.457
  315   1HG2  THR  47          1HG2      THR  47  -1.790  -0.998  -0.981
  316   2HG2  THR  47          2HG2      THR  47  -0.070  -1.383  -0.925
  317   3HG2  THR  47          3HG2      THR  47  -0.657  -0.113  -2.001
  318    H    THR  48           H        THR  48  -1.170  -0.323   3.039
  319    HA   THR  48           HA       THR  48  -0.492  -2.890   3.895
  320    HB   THR  48           HB       THR  48  -3.148  -1.496   4.169
  321    HG1  THR  48           1HG      THR  48  -2.272  -0.779   6.149
  322   1HG2  THR  48          1HG2      THR  48  -2.232  -4.035   5.145
  323   2HG2  THR  48          2HG2      THR  48  -3.824  -3.287   5.271
  324   3HG2  THR  48          3HG2      THR  48  -2.587  -2.936   6.478
  325    HA   PRO  49           HA       PRO  49  -2.186  -5.344   0.566
  326   1HB   PRO  49          2HB       PRO  49  -2.077  -7.752   1.874
  327   2HB   PRO  49          1HB       PRO  49  -0.690  -6.998   1.080
  328   1HG   PRO  49          2HG       PRO  49  -1.452  -6.992   3.974
  329   2HG   PRO  49          1HG       PRO  49   0.147  -7.203   3.238
  330   1HD   PRO  49          2HD       PRO  49  -0.612  -4.861   4.311
  331   2HD   PRO  49          1HD       PRO  49   0.411  -4.933   2.862
  332    H    VAL  50           H        VAL  50  -4.282  -5.434   0.086
  333    HA   VAL  50           HA       VAL  50  -6.150  -6.537   2.042
  334    HB   VAL  50           HB       VAL  50  -6.557  -3.937   0.623
  335   1HG1  VAL  50          1HG1      VAL  50  -8.708  -3.946   2.039
  336   2HG1  VAL  50          2HG1      VAL  50  -8.466  -5.692   2.112
  337   3HG1  VAL  50          3HG1      VAL  50  -8.675  -4.895   0.552
  338   1HG2  VAL  50          1HG2      VAL  50  -6.576  -2.921   2.774
  339   2HG2  VAL  50          2HG2      VAL  50  -5.138  -3.938   2.688
  340   3HG2  VAL  50          3HG2      VAL  50  -6.559  -4.492   3.576
  341    HA   PRO  51           HA       PRO  51  -7.139  -8.962  -1.606
  342   1HB   PRO  51          2HB       PRO  51  -9.591  -9.457   0.017
  343   2HB   PRO  51          1HB       PRO  51  -8.532 -10.610  -0.801
  344   1HG   PRO  51          2HG       PRO  51  -8.417 -10.311   1.839
  345   2HG   PRO  51          1HG       PRO  51  -6.941 -10.549   0.887
  346   1HD   PRO  51          2HD       PRO  51  -8.022  -8.056   2.118
  347   2HD   PRO  51          1HD       PRO  51  -6.337  -8.581   1.922
  Start of MODEL   10
    1   1H    ASN   1          1HT       ASN   1   2.379  -9.385 -12.754
    2   2H    ASN   1          2HT       ASN   1   1.496  -8.295 -11.767
    3   3H    ASN   1          3HT       ASN   1   0.734  -9.700 -12.391
    4    HA   ASN   1           HA       ASN   1   2.011 -11.102 -11.066
    5   1HB   ASN   1          2HB       ASN   1   3.688  -8.684 -10.914
    6   2HB   ASN   1          1HB       ASN   1   3.558  -9.577  -9.401
    7   1HD2  ASN   1          1HD2      ASN   1   5.975  -9.522 -10.272
    8   2HD2  ASN   1          2HD2      ASN   1   6.452 -10.983 -11.061
    9    H    GLU   2           H        GLU   2   2.276 -10.818  -8.439
   10    HA   GLU   2           HA       GLU   2   0.827  -9.104  -6.951
   11   1HB   GLU   2          2HB       GLU   2  -0.943 -10.702  -8.576
   12   2HB   GLU   2          1HB       GLU   2  -1.232 -11.023  -6.871
   13   1HG   GLU   2          2HG       GLU   2  -1.897  -8.863  -6.437
   14   2HG   GLU   2          1HG       GLU   2  -1.044  -8.206  -7.832
   15    H    LYS   3           H        LYS   3   0.578  -9.766  -4.777
   16    HA   LYS   3           HA       LYS   3   2.132 -12.152  -4.145
   17   1HB   LYS   3          2HB       LYS   3   2.004  -9.586  -3.047
   18   2HB   LYS   3          1HB       LYS   3   1.235 -10.619  -1.851
   19   1HG   LYS   3          2HG       LYS   3   3.175 -11.965  -1.635
   20   2HG   LYS   3          1HG       LYS   3   3.927 -11.215  -3.044
   21   1HD   LYS   3          2HD       LYS   3   3.145  -9.492  -0.741
   22   2HD   LYS   3          1HD       LYS   3   4.594 -10.490  -0.605
   23   1HE   LYS   3          2HE       LYS   3   4.733  -9.291  -3.131
   24   2HE   LYS   3          1HE       LYS   3   4.199  -8.021  -2.032
   25   1HZ   LYS   3          1HZ       LYS   3   6.157  -8.015  -0.945
   26   2HZ   LYS   3          2HZ       LYS   3   6.745  -8.654  -2.396
   27   3HZ   LYS   3          3HZ       LYS   3   6.395  -9.683  -1.102
   28    H    SER   4           H        SER   4  -0.927 -10.647  -3.088
   29    HA   SER   4           HA       SER   4  -2.175 -13.257  -2.964
   30   1HB   SER   4          2HB       SER   4  -1.368 -11.749  -0.537
   31   2HB   SER   4          1HB       SER   4  -2.977 -12.472  -0.521
   32    HG   SER   4           HG       SER   4  -2.102 -14.372  -0.341
   33    H    GLY   5           H        GLY   5  -2.739  -9.973  -1.654
   34   1HA   GLY   5          2HA       GLY   5  -5.450 -10.085  -2.767
   35   2HA   GLY   5          1HA       GLY   5  -4.891  -8.973  -1.529
   36    H    SER   6           H        SER   6  -5.218  -7.019  -2.345
   37    HA   SER   6           HA       SER   6  -3.742  -6.249  -4.717
   38   1HB   SER   6          2HB       SER   6  -6.485  -5.184  -4.760
   39   2HB   SER   6          1HB       SER   6  -5.488  -5.784  -6.084
   40    HG   SER   6           HG       SER   6  -6.439  -7.648  -5.919
   41    H    CYS   7           H        CYS   7  -4.826  -3.723  -5.041
   42    HA   CYS   7           HA       CYS   7  -3.651  -2.350  -2.814
   43   1HB   CYS   7          2HB       CYS   7  -3.306  -1.524  -5.083
   44   2HB   CYS   7          1HB       CYS   7  -5.040  -1.295  -5.285
   45    HA   PRO   8           HA       PRO   8  -7.372  -1.740  -0.479
   46   1HB   PRO   8          2HB       PRO   8  -6.155   0.699   0.614
   47   2HB   PRO   8          1HB       PRO   8  -6.589  -0.801   1.437
   48   1HG   PRO   8          2HG       PRO   8  -4.026  -0.109   1.018
   49   2HG   PRO   8          1HG       PRO   8  -4.562  -1.798   0.976
   50   1HD   PRO   8          2HD       PRO   8  -4.004   0.069  -1.304
   51   2HD   PRO   8          1HD       PRO   8  -3.555  -1.639  -1.114
   52    H    ASP   9           H        ASP   9  -8.444   0.605   0.390
   53    HA   ASP   9           HA       ASP   9  -8.634   2.615  -1.605
   54   1HB   ASP   9          2HB       ASP   9 -10.560   0.354  -1.689
   55   2HB   ASP   9          1HB       ASP   9 -11.226   1.973  -1.885
   56    H    MET  10           H        MET  10  -8.227   3.734   0.392
   57    HA   MET  10           HA       MET  10 -10.455   3.832   2.284
   58   1HB   MET  10          2HB       MET  10  -8.939   5.062   3.740
   59   2HB   MET  10          1HB       MET  10  -8.190   3.568   3.196
   60   1HG   MET  10          2HG       MET  10  -7.254   5.197   1.312
   61   2HG   MET  10          1HG       MET  10  -7.485   6.376   2.602
   62   1HE   MET  10          1HE       MET  10  -5.056   7.020   3.590
   63   2HE   MET  10          2HE       MET  10  -4.677   5.926   4.921
   64   3HE   MET  10          3HE       MET  10  -6.327   6.512   4.703
   65    H    SER  11           H        SER  11  -9.317   5.512  -0.421
   66    HA   SER  11           HA       SER  11  -9.864   7.489  -1.389
   67   1HB   SER  11          2HB       SER  11 -12.191   7.438   0.542
   68   2HB   SER  11          1HB       SER  11 -12.102   8.335  -0.973
   69    HG   SER  11           HG       SER  11 -12.823   6.610  -1.903
   70    H    MET  12           H        MET  12 -11.166   9.778  -0.188
   71    HA   MET  12           HA       MET  12 -10.779  11.585   1.155
   72   1HB   MET  12          2HB       MET  12 -10.178   9.572   2.847
   73   2HB   MET  12          1HB       MET  12  -8.598  10.332   2.720
   74   1HG   MET  12          2HG       MET  12  -9.343  11.594   4.408
   75   2HG   MET  12          1HG       MET  12 -10.147  12.499   3.128
   76   1HE   MET  12          1HE       MET  12 -12.045   9.382   5.895
   77   2HE   MET  12          2HE       MET  12 -10.353   9.501   5.412
   78   3HE   MET  12          3HE       MET  12 -11.538   8.804   4.307
   79    HA   PRO  13           HA       PRO  13  -7.494  12.993  -1.604
   80   1HB   PRO  13          2HB       PRO  13  -8.161  15.521  -0.170
   81   2HB   PRO  13          1HB       PRO  13  -7.986  15.222  -1.902
   82   1HG   PRO  13          2HG       PRO  13 -10.399  15.494  -0.821
   83   2HG   PRO  13          1HG       PRO  13 -10.104  14.288  -2.089
   84   1HD   PRO  13          2HD       PRO  13 -10.419  13.906   0.855
   85   2HD   PRO  13          1HD       PRO  13 -10.961  12.872  -0.482
   86    H    ILE  14           H        ILE  14  -5.541  14.491  -1.233
   87    HA   ILE  14           HA       ILE  14  -4.516  14.343   1.506
   88    HB   ILE  14           HB       ILE  14  -2.926  13.338  -0.856
   89   1HG1  ILE  14          2HG1      ILE  14  -4.789  11.813  -0.315
   90   2HG1  ILE  14          1HG1      ILE  14  -3.224  11.098   0.055
   91   1HG2  ILE  14          1HG2      ILE  14  -1.238  12.758   0.671
   92   2HG2  ILE  14          2HG2      ILE  14  -2.298  12.999   2.061
   93   3HG2  ILE  14          3HG2      ILE  14  -1.738  14.387   1.129
   94   1HD1  ILE  14          1HD1      ILE  14  -4.633  12.519   2.238
   95   2HD1  ILE  14          2HD1      ILE  14  -3.606  11.087   2.290
   96   3HD1  ILE  14          3HD1      ILE  14  -5.270  10.959   1.718
   97    HA   PRO  15           HA       PRO  15  -3.090  18.418   0.422
   98   1HB   PRO  15          2HB       PRO  15  -1.250  18.749   2.400
   99   2HB   PRO  15          1HB       PRO  15  -2.992  18.888   2.665
  100   1HG   PRO  15          2HG       PRO  15  -1.170  16.574   3.204
  101   2HG   PRO  15          1HG       PRO  15  -2.475  17.228   4.210
  102   1HD   PRO  15          2HD       PRO  15  -2.804  15.021   2.696
  103   2HD   PRO  15          1HD       PRO  15  -4.123  16.172   2.983
  104    HA   PRO  16           HA       PRO  16   0.734  17.739  -1.711
  105   1HB   PRO  16          2HB       PRO  16   1.286  20.218  -2.507
  106   2HB   PRO  16          1HB       PRO  16  -0.174  19.392  -3.068
  107   1HG   PRO  16          2HG       PRO  16   0.126  21.511  -0.992
  108   2HG   PRO  16          1HG       PRO  16  -1.176  21.269  -2.170
  109   1HD   PRO  16          2HD       PRO  16  -1.211  20.481   0.524
  110   2HD   PRO  16          1HD       PRO  16  -2.332  19.938  -0.739
  111    H    LEU  17           H        LEU  17   0.856  18.308   1.304
  112    HA   LEU  17           HA       LEU  17   2.919  20.021   1.970
  113   1HB   LEU  17          2HB       LEU  17   1.444  18.741   3.548
  114   2HB   LEU  17          1HB       LEU  17   2.436  17.329   3.240
  115    HG   LEU  17           HG       LEU  17   4.407  18.815   4.032
  116   1HD1  LEU  17          1HD1      LEU  17   3.272  20.335   5.925
  117   2HD1  LEU  17          2HD1      LEU  17   2.050  20.475   4.662
  118   3HD1  LEU  17          3HD1      LEU  17   3.717  20.945   4.331
  119   1HD2  LEU  17          1HD2      LEU  17   4.067  17.101   5.471
  120   2HD2  LEU  17          2HD2      LEU  17   2.334  17.401   5.593
  121   3HD2  LEU  17          3HD2      LEU  17   3.467  18.400   6.502
  122    H    GLY  18           H        GLY  18   3.323  16.486   1.631
  123   1HA   GLY  18          2HA       GLY  18   5.527  16.611  -0.107
  124   2HA   GLY  18          1HA       GLY  18   6.127  16.568   1.540
  125    H    ILE  19           H        ILE  19   3.234  14.962   0.401
  126    HA   ILE  19           HA       ILE  19   4.124  12.459   1.444
  127    HB   ILE  19           HB       ILE  19   1.812  13.090   1.707
  128   1HG1  ILE  19          2HG1      ILE  19   1.634  10.959  -0.361
  129   2HG1  ILE  19          1HG1      ILE  19   2.605  10.669   1.073
  130   1HG2  ILE  19          1HG2      ILE  19   2.052  14.104  -0.879
  131   2HG2  ILE  19          2HG2      ILE  19   0.611  14.105   0.137
  132   3HG2  ILE  19          3HG2      ILE  19   0.884  12.790  -1.006
  133   1HD1  ILE  19          1HD1      ILE  19   0.628   9.836   1.805
  134   2HD1  ILE  19          2HD1      ILE  19  -0.327  10.909   0.782
  135   3HD1  ILE  19          3HD1      ILE  19   0.397  11.521   2.269
  136    H    CYS  20           H        CYS  20   4.979  13.959  -1.295
  137    HA   CYS  20           HA       CYS  20   4.567  11.957  -3.274
  138   1HB   CYS  20          2HB       CYS  20   5.526  14.604  -3.200
  139   2HB   CYS  20          1HB       CYS  20   6.848  13.633  -3.839
  140    H    LYS  21           H        LYS  21   7.159  11.797  -4.426
  141    HA   LYS  21           HA       LYS  21   9.147  10.681  -4.328
  142   1HB   LYS  21          2HB       LYS  21   9.041  11.732  -1.831
  143   2HB   LYS  21          1HB       LYS  21   9.023  10.015  -1.451
  144   1HG   LYS  21          2HG       LYS  21  11.028  10.091  -3.252
  145   2HG   LYS  21          1HG       LYS  21  11.180  11.694  -2.530
  146   1HD   LYS  21          2HD       LYS  21  11.799  10.870  -0.505
  147   2HD   LYS  21          1HD       LYS  21  10.807   9.421  -0.670
  148   1HE   LYS  21          2HE       LYS  21  12.862   8.470  -0.887
  149   2HE   LYS  21          1HE       LYS  21  12.571   8.887  -2.575
  150   1HZ   LYS  21          1HZ       LYS  21  14.184  10.431  -0.618
  151   2HZ   LYS  21          2HZ       LYS  21  13.814  10.966  -2.179
  152   3HZ   LYS  21          3HZ       LYS  21  14.761   9.582  -1.964
  153    H    THR  22           H        THR  22   9.151   8.741  -5.207
  154    HA   THR  22           HA       THR  22   7.282   6.712  -4.279
  155    HB   THR  22           HB       THR  22   7.374   7.122  -6.664
  156    HG1  THR  22           1HG      THR  22   7.877   4.972  -7.342
  157   1HG2  THR  22          1HG2      THR  22   9.585   7.930  -7.011
  158   2HG2  THR  22          2HG2      THR  22   9.380   6.464  -7.970
  159   3HG2  THR  22          3HG2      THR  22  10.284   6.409  -6.457
  160    H    LEU  23           H        LEU  23   8.391   4.355  -4.738
  161    HA   LEU  23           HA       LEU  23  11.066   4.110  -3.766
  162   1HB   LEU  23          2HB       LEU  23  10.212   2.711  -1.739
  163   2HB   LEU  23          1HB       LEU  23  10.372   4.452  -1.607
  164    HG   LEU  23           HG       LEU  23   7.726   3.425  -2.464
  165   1HD1  LEU  23          1HD1      LEU  23   7.120   2.407  -0.554
  166   2HD1  LEU  23          2HD1      LEU  23   8.112   3.465   0.450
  167   3HD1  LEU  23          3HD1      LEU  23   8.851   2.104  -0.394
  168   1HD2  LEU  23          1HD2      LEU  23   7.587   5.673  -2.223
  169   2HD2  LEU  23          2HD2      LEU  23   8.885   5.738  -1.031
  170   3HD2  LEU  23          3HD2      LEU  23   7.267   5.231  -0.547
  171    H    CYS  24           H        CYS  24   7.936   2.498  -4.211
  172    HA   CYS  24           HA       CYS  24   9.365   0.053  -4.995
  173   1HB   CYS  24          2HB       CYS  24   7.267  -1.126  -4.658
  174   2HB   CYS  24          1HB       CYS  24   7.661  -0.189  -3.223
  175    H    ASN  25           H        ASN  25   8.583  -1.149  -6.839
  176    HA   ASN  25           HA       ASN  25   7.494   0.609  -8.937
  177   1HB   ASN  25          2HB       ASN  25   9.905  -0.884  -8.872
  178   2HB   ASN  25          1HB       ASN  25   8.848  -1.666 -10.044
  179   1HD2  ASN  25          1HD2      ASN  25   7.453   0.584 -10.937
  180   2HD2  ASN  25          2HD2      ASN  25   8.545   1.587 -11.825
  181    H    SER  26           H        SER  26   6.886  -2.111  -7.055
  182    HA   SER  26           HA       SER  26   4.404  -2.653  -8.107
  183   1HB   SER  26          2HB       SER  26   6.569  -3.964  -9.552
  184   2HB   SER  26          1HB       SER  26   5.402  -5.113  -8.905
  185    HG   SER  26           HG       SER  26   4.940  -2.949 -10.666
  186    H    ASP  27           H        ASP  27   3.799  -5.108  -7.502
  187    HA   ASP  27           HA       ASP  27   3.791  -5.268  -4.750
  188   1HB   ASP  27          2HB       ASP  27   2.498  -6.611  -6.644
  189   2HB   ASP  27          1HB       ASP  27   3.722  -7.815  -6.267
  190    H    SER  28           H        SER  28   5.912  -7.006  -7.009
  191    HA   SER  28           HA       SER  28   7.410  -8.321  -4.997
  192   1HB   SER  28          2HB       SER  28   8.490  -7.665  -7.730
  193   2HB   SER  28          1HB       SER  28   8.806  -9.084  -6.732
  194    HG   SER  28           HG       SER  28   6.527  -9.596  -7.050
  195    H    GLY  29           H        GLY  29   7.427  -5.103  -6.165
  196   1HA   GLY  29          2HA       GLY  29  10.159  -4.512  -5.563
  197   2HA   GLY  29          1HA       GLY  29   8.901  -3.345  -5.915
  198    H    CYS  30           H        CYS  30   7.117  -4.215  -3.870
  199    HA   CYS  30           HA       CYS  30   8.197  -2.730  -1.680
  200   1HB   CYS  30          2HB       CYS  30   5.604  -4.062  -2.253
  201   2HB   CYS  30          1HB       CYS  30   5.969  -3.611  -0.594
  202    HA   PRO  31           HA       PRO  31   9.818  -6.062   0.605
  203   1HB   PRO  31          2HB       PRO  31  10.258  -4.867   2.958
  204   2HB   PRO  31          1HB       PRO  31  11.154  -4.406   1.505
  205   1HG   PRO  31          2HG       PRO  31   8.842  -3.047   2.820
  206   2HG   PRO  31          1HG       PRO  31  10.278  -2.336   2.064
  207   1HD   PRO  31          2HD       PRO  31   7.788  -2.568   0.860
  208   2HD   PRO  31          1HD       PRO  31   9.323  -2.344  -0.003
  209    H    ASN  32           H        ASN  32   9.615  -6.910   3.029
  210    HA   ASN  32           HA       ASN  32   8.345  -8.259   4.353
  211   1HB   ASN  32          2HB       ASN  32   6.871  -5.630   4.466
  212   2HB   ASN  32          1HB       ASN  32   6.452  -6.996   5.493
  213   1HD2  ASN  32          1HD2      ASN  32   8.796  -4.542   4.802
  214   2HD2  ASN  32          2HD2      ASN  32   9.729  -4.735   6.242
  215    H    VAL  33           H        VAL  33   5.453  -6.518   3.384
  216    HA   VAL  33           HA       VAL  33   4.636  -8.492   1.461
  217    HB   VAL  33           HB       VAL  33   4.188  -9.687   3.579
  218   1HG1  VAL  33          1HG1      VAL  33   2.262  -7.437   4.145
  219   2HG1  VAL  33          2HG1      VAL  33   3.781  -7.722   4.993
  220   3HG1  VAL  33          3HG1      VAL  33   2.473  -8.899   5.108
  221   1HG2  VAL  33          1HG2      VAL  33   2.605  -9.529   1.400
  222   2HG2  VAL  33          2HG2      VAL  33   1.459  -9.073   2.661
  223   3HG2  VAL  33          3HG2      VAL  33   2.307 -10.616   2.756
  224    H    GLN  34           H        GLN  34   4.959  -5.567   1.822
  225    HA   GLN  34           HA       GLN  34   2.275  -4.496   1.703
  226   1HB   GLN  34          2HB       GLN  34   4.950  -3.161   1.296
  227   2HB   GLN  34          1HB       GLN  34   3.403  -2.341   1.440
  228   1HG   GLN  34          2HG       GLN  34   3.152  -3.241   3.705
  229   2HG   GLN  34          1HG       GLN  34   4.733  -3.999   3.557
  230   1HE2  GLN  34          1HE2      GLN  34   3.195  -0.832   3.164
  231   2HE2  GLN  34          2HE2      GLN  34   4.480   0.074   3.878
  232    H    LYS  35           H        LYS  35   1.325  -3.546  -0.106
  233    HA   LYS  35           HA       LYS  35   2.235  -4.610  -2.637
  234   1HB   LYS  35          2HB       LYS  35  -0.288  -3.663  -1.483
  235   2HB   LYS  35          1HB       LYS  35  -0.039  -3.156  -3.142
  236   1HG   LYS  35          2HG       LYS  35  -1.266  -5.213  -3.126
  237   2HG   LYS  35          1HG       LYS  35   0.352  -5.521  -3.761
  238   1HD   LYS  35          2HD       LYS  35   1.063  -6.417  -1.634
  239   2HD   LYS  35          1HD       LYS  35  -0.487  -5.995  -0.903
  240   1HE   LYS  35          2HE       LYS  35  -1.546  -7.502  -2.652
  241   2HE   LYS  35          1HE       LYS  35   0.085  -8.079  -2.991
  242   1HZ   LYS  35          1HZ       LYS  35  -1.568  -8.479  -0.603
  243   2HZ   LYS  35          2HZ       LYS  35   0.112  -8.433  -0.419
  244   3HZ   LYS  35          3HZ       LYS  35  -0.595  -9.584  -1.437
  245    H    CYS  36           H        CYS  36   1.964  -3.052  -4.566
  246    HA   CYS  36           HA       CYS  36   3.198  -0.484  -3.825
  247   1HB   CYS  36          2HB       CYS  36   4.570  -2.167  -5.177
  248   2HB   CYS  36          1HB       CYS  36   3.474  -1.829  -6.512
  249    H    CYS  37           H        CYS  37   1.472   0.863  -3.732
  250    HA   CYS  37           HA       CYS  37  -0.182   1.078  -6.164
  251   1HB   CYS  37          2HB       CYS  37  -1.138   0.434  -3.725
  252   2HB   CYS  37          1HB       CYS  37  -1.242   2.186  -3.629
  253    H    LYS  38           H        LYS  38  -1.380   3.416  -5.895
  254    HA   LYS  38           HA       LYS  38   0.808   5.296  -6.157
  255   1HB   LYS  38          2HB       LYS  38  -1.543   4.917  -7.547
  256   2HB   LYS  38          1HB       LYS  38  -1.901   6.329  -6.561
  257   1HG   LYS  38          2HG       LYS  38   0.465   7.100  -7.472
  258   2HG   LYS  38          1HG       LYS  38   0.030   6.002  -8.784
  259   1HD   LYS  38          2HD       LYS  38  -2.287   7.422  -8.399
  260   2HD   LYS  38          1HD       LYS  38  -1.040   8.635  -8.104
  261   1HE   LYS  38          2HE       LYS  38  -1.054   8.882 -10.333
  262   2HE   LYS  38          1HE       LYS  38  -0.081   7.412 -10.335
  263   1HZ   LYS  38          1HZ       LYS  38  -2.077   7.447 -11.852
  264   2HZ   LYS  38          2HZ       LYS  38  -3.037   7.345 -10.463
  265   3HZ   LYS  38          3HZ       LYS  38  -1.946   6.105 -10.829
  266    H    ASN  39           H        ASN  39  -0.632   7.658  -5.578
  267    HA   ASN  39           HA       ASN  39  -1.712   7.640  -2.959
  268   1HB   ASN  39          2HB       ASN  39   0.110   8.710  -1.744
  269   2HB   ASN  39          1HB       ASN  39   0.641   7.155  -2.377
  270   1HD2  ASN  39          1HD2      ASN  39   2.682   8.468  -1.777
  271   2HD2  ASN  39          2HD2      ASN  39   3.422   9.310  -3.092
  272    H    GLY  40           H        GLY  40  -1.262  10.121  -2.046
  273   1HA   GLY  40          2HA       GLY  40  -2.653  11.735  -3.981
  274   2HA   GLY  40          1HA       GLY  40  -2.208  12.211  -2.349
  275    H    CYS  41           H        CYS  41  -0.690  11.515  -5.499
  276    HA   CYS  41           HA       CYS  41   0.499  14.030  -5.765
  277   1HB   CYS  41          2HB       CYS  41   1.802  12.831  -3.780
  278   2HB   CYS  41          1HB       CYS  41   2.668  12.088  -5.121
  279    H    GLY  42           H        GLY  42   1.068  10.570  -6.361
  280   1HA   GLY  42          2HA       GLY  42   0.642   9.806  -8.667
  281   2HA   GLY  42          1HA       GLY  42   1.475  11.254  -9.209
  282    H    PHE  43           H        PHE  43   2.172   8.613  -6.912
  283    HA   PHE  43           HA       PHE  43   4.584   7.982  -8.436
  284   1HB   PHE  43          2HB       PHE  43   4.523   9.165  -5.729
  285   2HB   PHE  43          1HB       PHE  43   5.587   7.775  -5.920
  286    HD1  PHE  43           1HD      PHE  43   5.826  11.053  -5.664
  287    HD2  PHE  43           2HD      PHE  43   6.658   8.068  -8.579
  288    HE1  PHE  43           1HE      PHE  43   7.537  12.510  -6.661
  289    HE2  PHE  43           2HE      PHE  43   8.371   9.521  -9.584
  290    HZ   PHE  43           HZ       PHE  43   8.813  11.746  -8.624
  291    H    MET  44           H        MET  44   5.728   6.084  -6.959
  292    HA   MET  44           HA       MET  44   3.574   4.123  -6.512
  293   1HB   MET  44          2HB       MET  44   6.311   3.807  -7.725
  294   2HB   MET  44          1HB       MET  44   5.409   2.430  -7.109
  295   1HG   MET  44          2HG       MET  44   4.169   4.288  -9.093
  296   2HG   MET  44          1HG       MET  44   5.275   3.018  -9.616
  297   1HE   MET  44          1HE       MET  44   2.192   3.950  -9.909
  298   2HE   MET  44          2HE       MET  44   1.051   2.642  -9.599
  299   3HE   MET  44          3HE       MET  44   2.219   2.500 -10.913
  300    H    THR  45           H        THR  45   3.343   4.170  -4.332
  301    HA   THR  45           HA       THR  45   5.759   3.707  -2.710
  302    HB   THR  45           HB       THR  45   4.512   4.686  -0.823
  303    HG1  THR  45           1HG      THR  45   2.513   5.165  -2.774
  304   1HG2  THR  45          1HG2      THR  45   3.993   6.930  -2.453
  305   2HG2  THR  45          2HG2      THR  45   5.429   6.128  -3.087
  306   3HG2  THR  45          3HG2      THR  45   5.375   6.633  -1.398
  307    H    CYS  46           H        CYS  46   5.135   2.572  -0.544
  308    HA   CYS  46           HA       CYS  46   3.810   0.103  -1.296
  309   1HB   CYS  46          2HB       CYS  46   5.519   0.884   1.057
  310   2HB   CYS  46          1HB       CYS  46   4.676  -0.657   0.980
  311    H    THR  47           H        THR  47   2.149  -0.848  -0.147
  312    HA   THR  47           HA       THR  47   0.764   0.778   1.857
  313    HB   THR  47           HB       THR  47  -1.007  -0.501  -0.136
  314    HG1  THR  47           1HG      THR  47  -0.718   1.150  -1.633
  315   1HG2  THR  47          1HG2      THR  47  -1.309   2.340   0.477
  316   2HG2  THR  47          2HG2      THR  47  -1.407   1.270   1.876
  317   3HG2  THR  47          3HG2      THR  47  -2.492   1.034   0.506
  318    H    THR  48           H        THR  48  -1.363  -0.624   2.467
  319    HA   THR  48           HA       THR  48  -0.273  -3.142   3.422
  320    HB   THR  48           HB       THR  48  -2.938  -1.881   4.039
  321    HG1  THR  48           1HG      THR  48  -0.538  -1.736   5.533
  322   1HG2  THR  48          1HG2      THR  48  -2.923  -3.214   6.045
  323   2HG2  THR  48          2HG2      THR  48  -1.372  -3.920   5.593
  324   3HG2  THR  48          3HG2      THR  48  -2.808  -4.254   4.626
  325    HA   PRO  49           HA       PRO  49  -2.348  -5.533   0.311
  326   1HB   PRO  49          2HB       PRO  49  -2.313  -7.955   1.536
  327   2HB   PRO  49          1HB       PRO  49  -0.874  -7.225   0.816
  328   1HG   PRO  49          2HG       PRO  49  -1.739  -7.278   3.684
  329   2HG   PRO  49          1HG       PRO  49  -0.128  -7.558   2.997
  330   1HD   PRO  49          2HD       PRO  49  -0.834  -5.197   4.106
  331   2HD   PRO  49          1HD       PRO  49   0.293  -5.303   2.738
  332    H    VAL  50           H        VAL  50  -4.472  -5.319  -0.039
  333    HA   VAL  50           HA       VAL  50  -6.332  -5.900   2.157
  334    HB   VAL  50           HB       VAL  50  -6.586  -3.684   1.187
  335   1HG1  VAL  50          1HG1      VAL  50  -6.739  -5.207  -1.378
  336   2HG1  VAL  50          2HG1      VAL  50  -5.818  -3.756  -0.986
  337   3HG1  VAL  50          3HG1      VAL  50  -7.562  -3.656  -1.221
  338   1HG2  VAL  50          1HG2      VAL  50  -8.831  -5.587   0.535
  339   2HG2  VAL  50          2HG2      VAL  50  -8.991  -3.831   0.527
  340   3HG2  VAL  50          3HG2      VAL  50  -8.596  -4.673   2.025
  341    HA   PRO  51           HA       PRO  51  -7.477  -9.674   0.115
  342   1HB   PRO  51          2HB       PRO  51  -9.839 -10.126   1.381
  343   2HB   PRO  51          1HB       PRO  51  -8.269 -10.397   2.144
  344   1HG   PRO  51          2HG       PRO  51 -10.123  -8.062   2.404
  345   2HG   PRO  51          1HG       PRO  51  -9.207  -8.909   3.664
  346   1HD   PRO  51          2HD       PRO  51  -8.391  -6.556   2.612
  347   2HD   PRO  51          1HD       PRO  51  -7.249  -7.797   3.164
  Start of MODEL   11
    1   1H    ASN   1          1HT       ASN   1   3.831 -10.395 -11.770
    2   2H    ASN   1          2HT       ASN   1   2.292 -11.141 -11.910
    3   3H    ASN   1          3HT       ASN   1   3.287 -11.470 -10.551
    4    HA   ASN   1           HA       ASN   1   3.171  -9.050 -10.052
    5   1HB   ASN   1          2HB       ASN   1   1.590  -9.254 -12.482
    6   2HB   ASN   1          1HB       ASN   1   0.665  -8.519 -11.177
    7   1HD2  ASN   1          1HD2      ASN   1   1.198  -6.511 -10.455
    8   2HD2  ASN   1          2HD2      ASN   1   2.393  -5.512 -11.204
    9    H    GLU   2           H        GLU   2   1.338  -8.287  -8.645
   10    HA   GLU   2           HA       GLU   2  -0.135  -8.641  -6.951
   11   1HB   GLU   2          2HB       GLU   2  -1.289  -9.812  -9.131
   12   2HB   GLU   2          1HB       GLU   2  -1.236 -11.161  -8.003
   13   1HG   GLU   2          2HG       GLU   2  -2.751 -10.231  -6.599
   14   2HG   GLU   2          1HG       GLU   2  -2.246  -8.583  -6.967
   15    H    LYS   3           H        LYS   3   0.325  -9.379  -4.991
   16    HA   LYS   3           HA       LYS   3   1.990 -11.760  -4.734
   17   1HB   LYS   3          2HB       LYS   3   1.956  -9.281  -3.447
   18   2HB   LYS   3          1HB       LYS   3   1.358 -10.412  -2.242
   19   1HG   LYS   3          2HG       LYS   3   3.346 -11.792  -2.535
   20   2HG   LYS   3          1HG       LYS   3   3.945 -10.674  -3.763
   21   1HD   LYS   3          2HD       LYS   3   3.215  -9.513  -1.139
   22   2HD   LYS   3          1HD       LYS   3   4.655 -10.531  -1.184
   23   1HE   LYS   3          2HE       LYS   3   4.758  -8.819  -3.435
   24   2HE   LYS   3          1HE       LYS   3   4.338  -7.827  -2.039
   25   1HZ   LYS   3          1HZ       LYS   3   6.610  -7.817  -1.940
   26   2HZ   LYS   3          2HZ       LYS   3   6.772  -9.390  -2.540
   27   3HZ   LYS   3          3HZ       LYS   3   6.276  -9.143  -0.942
   28    H    SER   4           H        SER   4  -0.936 -10.415  -3.205
   29    HA   SER   4           HA       SER   4  -2.069 -13.087  -3.047
   30   1HB   SER   4          2HB       SER   4  -2.677 -12.565  -0.571
   31   2HB   SER   4          1HB       SER   4  -1.064 -13.173  -0.940
   32    HG   SER   4           HG       SER   4  -0.997 -11.361   0.453
   33    H    GLY   5           H        GLY   5  -2.641  -9.825  -1.699
   34   1HA   GLY   5          2HA       GLY   5  -5.438 -10.043  -2.559
   35   2HA   GLY   5          1HA       GLY   5  -4.813  -8.908  -1.375
   36    H    SER   6           H        SER   6  -5.274  -6.965  -2.160
   37    HA   SER   6           HA       SER   6  -4.040  -6.161  -4.658
   38   1HB   SER   6          2HB       SER   6  -6.762  -5.114  -4.527
   39   2HB   SER   6          1HB       SER   6  -5.911  -5.865  -5.875
   40    HG   SER   6           HG       SER   6  -6.419  -7.901  -4.940
   41    H    CYS   7           H        CYS   7  -5.234  -3.674  -4.889
   42    HA   CYS   7           HA       CYS   7  -3.922  -2.253  -2.758
   43   1HB   CYS   7          2HB       CYS   7  -3.759  -1.505  -5.105
   44   2HB   CYS   7          1HB       CYS   7  -5.494  -1.206  -5.123
   45    HA   PRO   8           HA       PRO   8  -7.514  -1.638  -0.227
   46   1HB   PRO   8          2HB       PRO   8  -6.280   0.845   0.740
   47   2HB   PRO   8          1HB       PRO   8  -6.638  -0.643   1.619
   48   1HG   PRO   8          2HG       PRO   8  -4.118   0.092   1.032
   49   2HG   PRO   8          1HG       PRO   8  -4.619  -1.609   1.070
   50   1HD   PRO   8          2HD       PRO   8  -4.225   0.198  -1.288
   51   2HD   PRO   8          1HD       PRO   8  -3.744  -1.499  -1.079
   52    H    ASP   9           H        ASP   9  -6.212   1.481  -1.383
   53    HA   ASP   9           HA       ASP   9  -7.186   3.245  -2.438
   54   1HB   ASP   9          2HB       ASP   9  -8.275   1.074  -3.684
   55   2HB   ASP   9          1HB       ASP   9  -9.721   1.894  -3.101
   56    H    MET  10           H        MET  10  -7.445   3.136   0.278
   57    HA   MET  10           HA       MET  10 -10.192   4.087   0.756
   58   1HB   MET  10          2HB       MET  10  -9.172   3.719   3.262
   59   2HB   MET  10          1HB       MET  10 -10.150   2.544   2.395
   60   1HG   MET  10          2HG       MET  10  -8.125   1.441   1.597
   61   2HG   MET  10          1HG       MET  10  -7.140   2.623   2.455
   62   1HE   MET  10          1HE       MET  10  -7.273   3.099   4.823
   63   2HE   MET  10          2HE       MET  10  -7.382   1.848   6.061
   64   3HE   MET  10          3HE       MET  10  -8.835   2.699   5.538
   65    H    SER  11           H        SER  11  -7.171   4.570   2.563
   66    HA   SER  11           HA       SER  11  -6.446   7.061   1.833
   67   1HB   SER  11          2HB       SER  11  -8.897   7.128   3.487
   68   2HB   SER  11          1HB       SER  11  -7.626   8.253   3.965
   69    HG   SER  11           HG       SER  11  -7.875   9.338   2.146
   70    H    MET  12           H        MET  12  -5.002   8.127   3.341
   71    HA   MET  12           HA       MET  12  -4.416   6.777   5.836
   72   1HB   MET  12          2HB       MET  12  -1.982   6.491   5.153
   73   2HB   MET  12          1HB       MET  12  -3.129   5.352   4.460
   74   1HG   MET  12          2HG       MET  12  -3.080   7.385   2.611
   75   2HG   MET  12          1HG       MET  12  -1.407   7.299   3.160
   76   1HE   MET  12          1HE       MET  12  -0.926   6.599   0.382
   77   2HE   MET  12          2HE       MET  12  -0.222   4.991   0.559
   78   3HE   MET  12          3HE       MET  12   0.109   6.237   1.763
   79    HA   PRO  13           HA       PRO  13  -3.113  10.821   7.007
   80   1HB   PRO  13          2HB       PRO  13  -1.224  10.293   8.880
   81   2HB   PRO  13          1HB       PRO  13  -2.950  10.038   9.163
   82   1HG   PRO  13          2HG       PRO  13  -0.840   8.050   8.417
   83   2HG   PRO  13          1HG       PRO  13  -2.146   7.903   9.607
   84   1HD   PRO  13          2HD       PRO  13  -2.296   6.806   7.135
   85   2HD   PRO  13          1HD       PRO  13  -3.724   7.406   8.003
   86    H    ILE  14           H        ILE  14  -1.574  12.377   6.586
   87    HA   ILE  14           HA       ILE  14   1.017  11.495   5.530
   88    HB   ILE  14           HB       ILE  14  -0.656  13.603   4.167
   89   1HG1  ILE  14          2HG1      ILE  14  -0.099  10.833   3.113
   90   2HG1  ILE  14          1HG1      ILE  14  -1.551  11.207   4.038
   91   1HG2  ILE  14          1HG2      ILE  14   1.064  13.921   2.737
   92   2HG2  ILE  14          2HG2      ILE  14   1.568  12.232   2.797
   93   3HG2  ILE  14          3HG2      ILE  14   2.012  13.332   4.102
   94   1HD1  ILE  14          1HD1      ILE  14  -2.095  12.945   2.346
   95   2HD1  ILE  14          2HD1      ILE  14  -2.087  11.296   1.722
   96   3HD1  ILE  14          3HD1      ILE  14  -0.728  12.370   1.392
   97    HA   PRO  15           HA       PRO  15   2.134  14.782   8.394
   98   1HB   PRO  15          2HB       PRO  15   4.821  14.504   8.150
   99   2HB   PRO  15          1HB       PRO  15   3.830  13.408   9.120
  100   1HG   PRO  15          2HG       PRO  15   4.890  13.047   6.342
  101   2HG   PRO  15          1HG       PRO  15   4.842  11.884   7.680
  102   1HD   PRO  15          2HD       PRO  15   3.035  11.858   5.666
  103   2HD   PRO  15          1HD       PRO  15   2.623  11.371   7.322
  104    HA   PRO  16           HA       PRO  16   2.865  18.159   5.622
  105   1HB   PRO  16          2HB       PRO  16   3.845  19.999   7.356
  106   2HB   PRO  16          1HB       PRO  16   2.140  19.535   7.317
  107   1HG   PRO  16          2HG       PRO  16   4.311  18.614   9.160
  108   2HG   PRO  16          1HG       PRO  16   2.640  19.070   9.540
  109   1HD   PRO  16          2HD       PRO  16   3.433  16.490   9.323
  110   2HD   PRO  16          1HD       PRO  16   1.799  17.028   8.883
  111    H    LEU  17           H        LEU  17   5.430  16.942   7.668
  112    HA   LEU  17           HA       LEU  17   7.530  18.390   6.357
  113   1HB   LEU  17          2HB       LEU  17   7.437  17.306   8.747
  114   2HB   LEU  17          1HB       LEU  17   8.003  15.877   7.903
  115    HG   LEU  17           HG       LEU  17   9.814  17.595   6.977
  116   1HD1  LEU  17          1HD1      LEU  17   9.413  19.606   7.935
  117   2HD1  LEU  17          2HD1      LEU  17  10.376  18.906   9.235
  118   3HD1  LEU  17          3HD1      LEU  17   8.616  18.904   9.342
  119   1HD2  LEU  17          1HD2      LEU  17  10.455  15.600   8.076
  120   2HD2  LEU  17          2HD2      LEU  17   9.803  16.155   9.618
  121   3HD2  LEU  17          3HD2      LEU  17  11.243  16.918   8.944
  122    H    GLY  18           H        GLY  18   7.115  17.885   4.143
  123   1HA   GLY  18          2HA       GLY  18   8.373  16.664   2.446
  124   2HA   GLY  18          1HA       GLY  18   8.110  15.208   3.394
  125    H    ILE  19           H        ILE  19   7.425  16.038   0.561
  126    HA   ILE  19           HA       ILE  19   4.517  15.821   0.616
  127    HB   ILE  19           HB       ILE  19   6.175  16.045  -1.882
  128   1HG1  ILE  19          2HG1      ILE  19   5.315  18.612  -1.333
  129   2HG1  ILE  19          1HG1      ILE  19   5.839  18.030   0.244
  130   1HG2  ILE  19          1HG2      ILE  19   4.160  16.030  -2.822
  131   2HG2  ILE  19          2HG2      ILE  19   3.807  17.553  -2.006
  132   3HG2  ILE  19          3HG2      ILE  19   3.377  16.022  -1.242
  133   1HD1  ILE  19          1HD1      ILE  19   8.019  17.451  -0.717
  134   2HD1  ILE  19          2HD1      ILE  19   7.643  19.166  -0.881
  135   3HD1  ILE  19          3HD1      ILE  19   7.488  18.091  -2.271
  136    H    CYS  20           H        CYS  20   5.305  14.510  -2.263
  137    HA   CYS  20           HA       CYS  20   5.251  11.772  -1.189
  138   1HB   CYS  20          2HB       CYS  20   3.876  12.977  -3.583
  139   2HB   CYS  20          1HB       CYS  20   4.100  11.238  -3.419
  140    H    LYS  21           H        LYS  21   6.100  10.114  -2.739
  141    HA   LYS  21           HA       LYS  21   7.790  10.757  -4.878
  142   1HB   LYS  21          2HB       LYS  21   9.997  10.393  -3.824
  143   2HB   LYS  21          1HB       LYS  21   9.200  11.845  -3.234
  144   1HG   LYS  21          2HG       LYS  21   8.585  10.745  -1.191
  145   2HG   LYS  21          1HG       LYS  21   9.198   9.203  -1.792
  146   1HD   LYS  21          2HD       LYS  21  11.390  10.757  -2.087
  147   2HD   LYS  21          1HD       LYS  21  10.643  11.518  -0.681
  148   1HE   LYS  21          2HE       LYS  21  11.735   9.935   0.478
  149   2HE   LYS  21          1HE       LYS  21  10.413   8.891  -0.041
  150   1HZ   LYS  21          1HZ       LYS  21  11.836   7.660  -1.184
  151   2HZ   LYS  21          2HZ       LYS  21  13.115   8.586  -0.577
  152   3HZ   LYS  21          3HZ       LYS  21  12.395   9.001  -2.051
  153    H    THR  22           H        THR  22   8.351   8.940  -5.967
  154    HA   THR  22           HA       THR  22   7.183   6.491  -5.310
  155    HB   THR  22           HB       THR  22   7.747   7.035  -7.596
  156    HG1  THR  22           1HG      THR  22   9.395   4.871  -6.814
  157   1HG2  THR  22          1HG2      THR  22   9.939   8.214  -6.930
  158   2HG2  THR  22          2HG2      THR  22   9.862   7.347  -8.463
  159   3HG2  THR  22          3HG2      THR  22  10.654   6.609  -7.071
  160    H    LEU  23           H        LEU  23   8.358   4.398  -5.019
  161    HA   LEU  23           HA       LEU  23  10.914   4.546  -3.676
  162   1HB   LEU  23          2HB       LEU  23   8.505   4.565  -2.207
  163   2HB   LEU  23          1HB       LEU  23   9.275   3.013  -1.961
  164    HG   LEU  23           HG       LEU  23  11.109   5.280  -1.711
  165   1HD1  LEU  23          1HD1      LEU  23   8.597   5.183  -0.140
  166   2HD1  LEU  23          2HD1      LEU  23   9.577   6.564  -0.633
  167   3HD1  LEU  23          3HD1      LEU  23  10.090   5.558   0.721
  168   1HD2  LEU  23          1HD2      LEU  23  11.169   2.684  -1.030
  169   2HD2  LEU  23          2HD2      LEU  23  10.618   3.381   0.494
  170   3HD2  LEU  23          3HD2      LEU  23  12.134   3.922  -0.226
  171    H    CYS  24           H        CYS  24   8.136   2.494  -4.479
  172    HA   CYS  24           HA       CYS  24   9.995   0.257  -4.915
  173   1HB   CYS  24          2HB       CYS  24   8.085  -1.224  -4.695
  174   2HB   CYS  24          1HB       CYS  24   8.160  -0.151  -3.302
  175    H    ASN  25           H        ASN  25   9.206  -1.292  -6.672
  176    HA   ASN  25           HA       ASN  25   8.492   0.295  -9.047
  177   1HB   ASN  25          2HB       ASN  25   9.662  -1.560 -10.317
  178   2HB   ASN  25          1HB       ASN  25  10.702  -0.553  -9.314
  179   1HD2  ASN  25          1HD2      ASN  25  11.425  -1.394  -7.296
  180   2HD2  ASN  25          2HD2      ASN  25  11.548  -3.100  -7.056
  181    H    SER  26           H        SER  26   7.622  -2.396  -7.075
  182    HA   SER  26           HA       SER  26   5.102  -2.671  -8.198
  183   1HB   SER  26          2HB       SER  26   5.763  -5.207  -8.904
  184   2HB   SER  26          1HB       SER  26   5.667  -3.863 -10.039
  185    HG   SER  26           HG       SER  26   7.818  -3.722 -10.090
  186    H    ASP  27           H        ASP  27   4.154  -4.957  -7.495
  187    HA   ASP  27           HA       ASP  27   3.947  -5.036  -4.787
  188   1HB   ASP  27          2HB       ASP  27   2.730  -6.400  -6.674
  189   2HB   ASP  27          1HB       ASP  27   3.904  -7.635  -6.238
  190    H    SER  28           H        SER  28   6.012  -7.277  -6.645
  191    HA   SER  28           HA       SER  28   7.294  -8.401  -4.420
  192   1HB   SER  28          2HB       SER  28   7.784  -8.321  -7.344
  193   2HB   SER  28          1HB       SER  28   9.176  -8.704  -6.331
  194    HG   SER  28           HG       SER  28   8.217 -10.516  -5.661
  195    H    GLY  29           H        GLY  29   7.675  -5.349  -5.939
  196   1HA   GLY  29          2HA       GLY  29  10.364  -4.804  -5.282
  197   2HA   GLY  29          1HA       GLY  29   9.130  -3.606  -5.612
  198    H    CYS  30           H        CYS  30   7.383  -3.814  -3.673
  199    HA   CYS  30           HA       CYS  30   8.618  -2.582  -1.477
  200   1HB   CYS  30          2HB       CYS  30   5.894  -3.623  -2.023
  201   2HB   CYS  30          1HB       CYS  30   6.308  -3.242  -0.359
  202    HA   PRO  31           HA       PRO  31  10.009  -5.930   0.909
  203   1HB   PRO  31          2HB       PRO  31  10.191  -4.808   3.351
  204   2HB   PRO  31          1HB       PRO  31  11.265  -4.359   2.021
  205   1HG   PRO  31          2HG       PRO  31   8.840  -2.951   3.057
  206   2HG   PRO  31          1HG       PRO  31  10.391  -2.272   2.533
  207   1HD   PRO  31          2HD       PRO  31   8.135  -2.319   0.976
  208   2HD   PRO  31          1HD       PRO  31   9.785  -2.283   0.326
  209    H    ASN  32           H        ASN  32   9.603  -6.995   3.140
  210    HA   ASN  32           HA       ASN  32   8.257  -8.359   4.342
  211   1HB   ASN  32          2HB       ASN  32   6.669  -5.795   4.389
  212   2HB   ASN  32          1HB       ASN  32   6.228  -7.210   5.337
  213   1HD2  ASN  32          1HD2      ASN  32   8.245  -4.481   5.093
  214   2HD2  ASN  32          2HD2      ASN  32   9.151  -4.730   6.544
  215    H    VAL  33           H        VAL  33   5.475  -6.635   3.064
  216    HA   VAL  33           HA       VAL  33   4.907  -8.497   0.983
  217    HB   VAL  33           HB       VAL  33   4.371  -9.914   2.940
  218   1HG1  VAL  33          1HG1      VAL  33   2.687  -9.385   4.497
  219   2HG1  VAL  33          2HG1      VAL  33   2.129  -8.006   3.549
  220   3HG1  VAL  33          3HG1      VAL  33   3.687  -7.937   4.375
  221   1HG2  VAL  33          1HG2      VAL  33   1.678  -9.761   2.136
  222   2HG2  VAL  33          2HG2      VAL  33   2.932 -10.838   1.522
  223   3HG2  VAL  33          3HG2      VAL  33   2.647  -9.284   0.741
  224    H    GLN  34           H        GLN  34   5.044  -5.626   1.525
  225    HA   GLN  34           HA       GLN  34   2.316  -4.677   1.395
  226   1HB   GLN  34          2HB       GLN  34   4.937  -3.201   1.140
  227   2HB   GLN  34          1HB       GLN  34   3.352  -2.451   1.258
  228   1HG   GLN  34          2HG       GLN  34   3.057  -3.488   3.468
  229   2HG   GLN  34          1HG       GLN  34   4.687  -4.144   3.349
  230   1HE2  GLN  34          1HE2      GLN  34   3.000  -1.042   2.999
  231   2HE2  GLN  34          2HE2      GLN  34   4.191  -0.104   3.825
  232    H    LYS  35           H        LYS  35   1.297  -3.795  -0.372
  233    HA   LYS  35           HA       LYS  35   2.348  -4.556  -2.955
  234   1HB   LYS  35          2HB       LYS  35  -0.279  -3.930  -1.781
  235   2HB   LYS  35          1HB       LYS  35  -0.059  -3.372  -3.426
  236   1HG   LYS  35          2HG       LYS  35  -1.047  -5.518  -3.541
  237   2HG   LYS  35          1HG       LYS  35   0.640  -5.704  -4.025
  238   1HD   LYS  35          2HD       LYS  35   1.181  -6.903  -2.169
  239   2HD   LYS  35          1HD       LYS  35   0.025  -6.044  -1.149
  240   1HE   LYS  35          2HE       LYS  35  -1.806  -7.263  -2.314
  241   2HE   LYS  35          1HE       LYS  35  -0.577  -8.198  -3.161
  242   1HZ   LYS  35          1HZ       LYS  35  -1.615  -8.577  -0.556
  243   2HZ   LYS  35          2HZ       LYS  35   0.059  -8.355  -0.478
  244   3HZ   LYS  35          3HZ       LYS  35  -0.587  -9.581  -1.447
  245    H    CYS  36           H        CYS  36   1.964  -2.926  -4.773
  246    HA   CYS  36           HA       CYS  36   2.846  -0.278  -3.839
  247   1HB   CYS  36          2HB       CYS  36   3.447  -1.743  -6.411
  248   2HB   CYS  36          1HB       CYS  36   3.827  -0.044  -6.157
  249    H    CYS  37           H        CYS  37   1.318   1.212  -3.955
  250    HA   CYS  37           HA       CYS  37  -0.487   1.199  -6.277
  251   1HB   CYS  37          2HB       CYS  37  -1.351   0.551  -3.798
  252   2HB   CYS  37          1HB       CYS  37  -1.565   2.294  -3.748
  253    H    LYS  38           H        LYS  38  -1.806   3.459  -6.045
  254    HA   LYS  38           HA       LYS  38   0.198   5.577  -5.649
  255   1HB   LYS  38          2HB       LYS  38  -0.374   4.793  -8.106
  256   2HB   LYS  38          1HB       LYS  38  -1.793   5.803  -7.867
  257   1HG   LYS  38          2HG       LYS  38  -0.441   7.737  -7.504
  258   2HG   LYS  38          1HG       LYS  38   1.032   6.764  -7.484
  259   1HD   LYS  38          2HD       LYS  38   1.141   7.453  -9.643
  260   2HD   LYS  38          1HD       LYS  38   0.086   6.060  -9.885
  261   1HE   LYS  38          2HE       LYS  38  -1.437   8.399  -9.151
  262   2HE   LYS  38          1HE       LYS  38  -0.434   8.717 -10.565
  263   1HZ   LYS  38          1HZ       LYS  38  -1.555   7.209 -11.818
  264   2HZ   LYS  38          2HZ       LYS  38  -2.812   7.657 -10.779
  265   3HZ   LYS  38          3HZ       LYS  38  -1.959   6.222 -10.504
  266    H    ASN  39           H        ASN  39  -0.991   5.721  -3.577
  267    HA   ASN  39           HA       ASN  39  -3.599   7.051  -3.835
  268   1HB   ASN  39          2HB       ASN  39  -2.319   5.398  -1.720
  269   2HB   ASN  39          1HB       ASN  39  -3.394   6.689  -1.189
  270   1HD2  ASN  39          1HD2      ASN  39  -5.579   6.635  -1.827
  271   2HD2  ASN  39          2HD2      ASN  39  -6.332   5.158  -2.312
  272    H    GLY  40           H        GLY  40  -3.205   9.173  -4.178
  273   1HA   GLY  40          2HA       GLY  40  -2.980  11.252  -2.915
  274   2HA   GLY  40          1HA       GLY  40  -1.568  10.549  -2.141
  275    H    CYS  41           H        CYS  41  -0.033  11.998  -2.733
  276    HA   CYS  41           HA       CYS  41   0.209  12.780  -5.521
  277   1HB   CYS  41          2HB       CYS  41   2.208  14.107  -4.486
  278   2HB   CYS  41          1HB       CYS  41   0.563  14.659  -4.228
  279    H    GLY  42           H        GLY  42   0.959  10.052  -4.190
  280   1HA   GLY  42          2HA       GLY  42   3.785   9.938  -4.936
  281   2HA   GLY  42          1HA       GLY  42   2.882   8.681  -4.104
  282    H    PHE  43           H        PHE  43   4.427   7.799  -6.042
  283    HA   PHE  43           HA       PHE  43   2.680   7.458  -8.388
  284   1HB   PHE  43          2HB       PHE  43   5.644   6.893  -8.262
  285   2HB   PHE  43          1HB       PHE  43   4.631   6.996  -9.698
  286    HD1  PHE  43           1HD      PHE  43   6.700   8.788  -7.388
  287    HD2  PHE  43           2HD      PHE  43   3.649   9.231 -10.321
  288    HE1  PHE  43           1HE      PHE  43   7.259  11.175  -7.605
  289    HE2  PHE  43           2HE      PHE  43   4.203  11.619 -10.544
  290    HZ   PHE  43           HZ       PHE  43   6.011  12.593  -9.185
  291    H    MET  44           H        MET  44   5.034   5.695  -6.382
  292    HA   MET  44           HA       MET  44   3.305   3.362  -6.408
  293   1HB   MET  44          2HB       MET  44   5.983   3.470  -7.740
  294   2HB   MET  44          1HB       MET  44   5.472   1.979  -6.960
  295   1HG   MET  44          2HG       MET  44   3.877   3.413  -9.068
  296   2HG   MET  44          1HG       MET  44   4.994   2.090  -9.395
  297   1HE   MET  44          1HE       MET  44   2.450   2.211 -10.447
  298   2HE   MET  44          2HE       MET  44   1.017   1.727  -9.539
  299   3HE   MET  44          3HE       MET  44   2.027   0.505 -10.312
  300    H    THR  45           H        THR  45   3.124   3.844  -4.181
  301    HA   THR  45           HA       THR  45   5.565   3.376  -2.601
  302    HB   THR  45           HB       THR  45   4.158   4.397  -0.720
  303    HG1  THR  45           1HG      THR  45   2.143   4.258  -1.755
  304   1HG2  THR  45          1HG2      THR  45   5.911   5.593  -2.254
  305   2HG2  THR  45          2HG2      THR  45   4.895   6.512  -1.143
  306   3HG2  THR  45          3HG2      THR  45   4.482   6.434  -2.856
  307    H    CYS  46           H        CYS  46   5.169   2.255  -0.471
  308    HA   CYS  46           HA       CYS  46   3.807  -0.212  -0.979
  309   1HB   CYS  46          2HB       CYS  46   5.152   0.753   1.546
  310   2HB   CYS  46          1HB       CYS  46   4.636  -0.896   1.223
  311    H    THR  47           H        THR  47   1.961  -0.950  -0.160
  312    HA   THR  47           HA       THR  47   0.506   0.641   1.818
  313    HB   THR  47           HB       THR  47  -0.258   1.373  -0.417
  314    HG1  THR  47           1HG      THR  47  -2.481   0.990  -0.015
  315   1HG2  THR  47          1HG2      THR  47  -0.520  -0.059  -2.075
  316   2HG2  THR  47          2HG2      THR  47  -1.886  -0.764  -1.209
  317   3HG2  THR  47          3HG2      THR  47  -0.265  -1.424  -0.988
  318    H    THR  48           H        THR  48  -1.003  -0.522   3.046
  319    HA   THR  48           HA       THR  48  -0.370  -3.178   3.599
  320    HB   THR  48           HB       THR  48  -2.935  -1.721   4.212
  321    HG1  THR  48           1HG      THR  48  -1.932  -0.934   5.940
  322   1HG2  THR  48          1HG2      THR  48  -3.365  -3.230   5.925
  323   2HG2  THR  48          2HG2      THR  48  -1.739  -3.911   5.856
  324   3HG2  THR  48          3HG2      THR  48  -2.892  -4.246   4.563
  325    HA   PRO  49           HA       PRO  49  -2.497  -5.246   0.269
  326   1HB   PRO  49          2HB       PRO  49  -2.264  -7.784   1.194
  327   2HB   PRO  49          1HB       PRO  49  -0.915  -6.901   0.470
  328   1HG   PRO  49          2HG       PRO  49  -1.561  -7.329   3.363
  329   2HG   PRO  49          1HG       PRO  49   0.006  -7.443   2.539
  330   1HD   PRO  49          2HD       PRO  49  -0.724  -5.265   3.966
  331   2HD   PRO  49          1HD       PRO  49   0.308  -5.156   2.526
  332    H    VAL  50           H        VAL  50  -4.629  -5.388  -0.021
  333    HA   VAL  50           HA       VAL  50  -6.314  -6.100   2.283
  334    HB   VAL  50           HB       VAL  50  -6.745  -3.879   1.320
  335   1HG1  VAL  50          1HG1      VAL  50  -6.969  -3.464  -0.865
  336   2HG1  VAL  50          2HG1      VAL  50  -8.029  -4.852  -1.114
  337   3HG1  VAL  50          3HG1      VAL  50  -6.280  -5.069  -1.106
  338   1HG2  VAL  50          1HG2      VAL  50  -8.948  -5.896   0.904
  339   2HG2  VAL  50          2HG2      VAL  50  -9.184  -4.150   0.976
  340   3HG2  VAL  50          3HG2      VAL  50  -8.581  -5.017   2.388
  341    HA   PRO  51           HA       PRO  51  -7.312  -9.889   0.179
  342   1HB   PRO  51          2HB       PRO  51  -9.455 -10.629   1.656
  343   2HB   PRO  51          1HB       PRO  51  -7.800 -10.731   2.266
  344   1HG   PRO  51          2HG       PRO  51  -9.874  -8.630   2.763
  345   2HG   PRO  51          1HG       PRO  51  -8.759  -9.396   3.911
  346   1HD   PRO  51          2HD       PRO  51  -8.315  -6.940   2.845
  347   2HD   PRO  51          1HD       PRO  51  -7.000  -8.045   3.296
  Start of MODEL   12
    1   1H    ASN   1          1HT       ASN   1  -0.452 -11.004 -12.679
    2   2H    ASN   1          2HT       ASN   1  -0.342 -12.476 -11.804
    3   3H    ASN   1          3HT       ASN   1   0.759 -12.147 -13.078
    4    HA   ASN   1           HA       ASN   1   1.882 -11.805 -11.082
    5   1HB   ASN   1          2HB       ASN   1   1.101  -9.522 -12.800
    6   2HB   ASN   1          1HB       ASN   1   1.895  -9.102 -11.285
    7   1HD2  ASN   1          1HD2      ASN   1   2.211 -11.046 -14.203
    8   2HD2  ASN   1          2HD2      ASN   1   3.939 -11.056 -14.228
    9    H    GLU   2           H        GLU   2   1.716 -11.605  -8.941
   10    HA   GLU   2           HA       GLU   2   0.447  -9.676  -7.505
   11   1HB   GLU   2          2HB       GLU   2  -1.496 -11.333  -8.624
   12   2HB   GLU   2          1HB       GLU   2  -1.358 -11.887  -6.962
   13   1HG   GLU   2          2HG       GLU   2  -3.003 -10.279  -6.831
   14   2HG   GLU   2          1HG       GLU   2  -1.558  -9.393  -6.347
   15    H    LYS   3           H        LYS   3   0.469 -10.052  -5.211
   16    HA   LYS   3           HA       LYS   3   2.323 -12.206  -4.493
   17   1HB   LYS   3          2HB       LYS   3   2.261  -9.492  -3.856
   18   2HB   LYS   3          1HB       LYS   3   1.748 -10.296  -2.381
   19   1HG   LYS   3          2HG       LYS   3   3.831 -11.816  -2.862
   20   2HG   LYS   3          1HG       LYS   3   4.357 -10.419  -3.803
   21   1HD   LYS   3          2HD       LYS   3   3.316  -9.730  -1.159
   22   2HD   LYS   3          1HD       LYS   3   4.740 -10.770  -1.107
   23   1HE   LYS   3          2HE       LYS   3   5.395  -8.910  -3.026
   24   2HE   LYS   3          1HE       LYS   3   4.495  -7.961  -1.845
   25   1HZ   LYS   3          1HZ       LYS   3   6.029  -9.199  -0.172
   26   2HZ   LYS   3          2HZ       LYS   3   6.610  -7.851  -1.011
   27   3HZ   LYS   3          3HZ       LYS   3   7.030  -9.408  -1.520
   28    H    SER   4           H        SER   4  -0.576 -10.599  -3.184
   29    HA   SER   4           HA       SER   4  -1.666 -13.157  -2.383
   30   1HB   SER   4          2HB       SER   4  -0.510 -11.229  -0.438
   31   2HB   SER   4          1HB       SER   4  -2.050 -11.969  -0.005
   32    HG   SER   4           HG       SER   4  -0.264 -13.206   0.717
   33    H    GLY   5           H        GLY   5  -2.184  -9.782  -1.345
   34   1HA   GLY   5          2HA       GLY   5  -5.002 -10.061  -2.098
   35   2HA   GLY   5          1HA       GLY   5  -4.330  -8.824  -1.047
   36    H    SER   6           H        SER   6  -4.839  -6.964  -1.995
   37    HA   SER   6           HA       SER   6  -3.679  -6.390  -4.586
   38   1HB   SER   6          2HB       SER   6  -6.443  -7.005  -4.331
   39   2HB   SER   6          1HB       SER   6  -6.316  -5.274  -4.644
   40    HG   SER   6           HG       SER   6  -4.819  -5.957  -6.395
   41    H    CYS   7           H        CYS   7  -4.833  -3.957  -5.048
   42    HA   CYS   7           HA       CYS   7  -3.570  -2.332  -3.021
   43   1HB   CYS   7          2HB       CYS   7  -3.141  -1.724  -5.300
   44   2HB   CYS   7          1HB       CYS   7  -4.858  -1.693  -5.678
   45    HA   PRO   8           HA       PRO   8  -7.316  -1.412  -0.825
   46   1HB   PRO   8          2HB       PRO   8  -6.551   0.872   0.423
   47   2HB   PRO   8          1HB       PRO   8  -5.978  -0.724   0.914
   48   1HG   PRO   8          2HG       PRO   8  -4.619   1.335  -0.782
   49   2HG   PRO   8          1HG       PRO   8  -3.946   0.338   0.521
   50   1HD   PRO   8          2HD       PRO   8  -3.590  -0.258  -2.091
   51   2HD   PRO   8          1HD       PRO   8  -3.712  -1.508  -0.841
   52    H    ASP   9           H        ASP   9  -8.937   0.330  -0.576
   53    HA   ASP   9           HA       ASP   9  -8.859   2.325  -2.728
   54   1HB   ASP   9          2HB       ASP   9 -10.717   0.072  -2.450
   55   2HB   ASP   9          1HB       ASP   9 -11.521   1.626  -2.651
   56    H    MET  10           H        MET  10  -8.450   2.499   0.165
   57    HA   MET  10           HA       MET  10 -10.528   4.489   0.722
   58   1HB   MET  10          2HB       MET  10 -11.195   2.491   1.941
   59   2HB   MET  10          1HB       MET  10  -9.597   2.362   2.659
   60   1HG   MET  10          2HG       MET  10 -10.880   3.293   4.344
   61   2HG   MET  10          1HG       MET  10 -10.062   4.685   3.636
   62   1HE   MET  10          1HE       MET  10 -13.021   2.687   4.274
   63   2HE   MET  10          2HE       MET  10 -13.793   2.831   2.694
   64   3HE   MET  10          3HE       MET  10 -14.398   3.770   4.059
   65    H    SER  11           H        SER  11  -7.844   3.206   2.667
   66    HA   SER  11           HA       SER  11  -6.096   4.245   3.692
   67   1HB   SER  11          2HB       SER  11  -5.480   4.319   1.199
   68   2HB   SER  11          1HB       SER  11  -5.935   6.021   1.261
   69    HG   SER  11           HG       SER  11  -3.907   4.715   2.750
   70    H    MET  12           H        MET  12  -5.109   6.736   3.858
   71    HA   MET  12           HA       MET  12  -6.900   8.866   3.988
   72   1HB   MET  12          2HB       MET  12  -7.497   7.017   5.961
   73   2HB   MET  12          1HB       MET  12  -6.518   8.205   6.808
   74   1HG   MET  12          2HG       MET  12  -8.077   9.833   6.622
   75   2HG   MET  12          1HG       MET  12  -8.662   9.248   5.064
   76   1HE   MET  12          1HE       MET  12 -11.488   8.456   5.277
   77   2HE   MET  12          2HE       MET  12 -10.800   9.999   5.784
   78   3HE   MET  12          3HE       MET  12 -11.923   9.143   6.842
   79    HA   PRO  13           HA       PRO  13  -2.954   9.806   6.722
   80   1HB   PRO  13          2HB       PRO  13  -1.357   7.366   6.224
   81   2HB   PRO  13          1HB       PRO  13  -1.601   8.264   7.726
   82   1HG   PRO  13          2HG       PRO  13  -2.755   5.884   7.334
   83   2HG   PRO  13          1HG       PRO  13  -3.591   7.184   8.204
   84   1HD   PRO  13          2HD       PRO  13  -3.953   6.252   5.383
   85   2HD   PRO  13          1HD       PRO  13  -5.176   6.745   6.572
   86    H    ILE  14           H        ILE  14  -1.678  11.174   5.642
   87    HA   ILE  14           HA       ILE  14  -0.487  10.280   3.102
   88    HB   ILE  14           HB       ILE  14  -2.398  11.742   2.633
   89   1HG1  ILE  14          2HG1      ILE  14  -0.047  13.475   2.031
   90   2HG1  ILE  14          1HG1      ILE  14  -0.019  11.817   1.436
   91   1HG2  ILE  14          1HG2      ILE  14  -1.794  13.051   4.897
   92   2HG2  ILE  14          2HG2      ILE  14  -2.786  13.738   3.610
   93   3HG2  ILE  14          3HG2      ILE  14  -1.073  14.143   3.715
   94   1HD1  ILE  14          1HD1      ILE  14  -1.840  12.158   0.045
   95   2HD1  ILE  14          2HD1      ILE  14  -0.934  13.666  -0.087
   96   3HD1  ILE  14          3HD1      ILE  14  -2.374  13.587   0.930
   97    HA   PRO  15           HA       PRO  15   3.240  11.376   5.418
   98   1HB   PRO  15          2HB       PRO  15   4.319  11.152   2.645
   99   2HB   PRO  15          1HB       PRO  15   4.931  10.458   4.151
  100   1HG   PRO  15          2HG       PRO  15   3.644   8.938   2.390
  101   2HG   PRO  15          1HG       PRO  15   3.389   8.724   4.133
  102   1HD   PRO  15          2HD       PRO  15   1.625  10.012   2.102
  103   2HD   PRO  15          1HD       PRO  15   1.191   9.057   3.533
  104    HA   PRO  16           HA       PRO  16   2.802  15.719   4.082
  105   1HB   PRO  16          2HB       PRO  16   3.763  16.790   6.382
  106   2HB   PRO  16          1HB       PRO  16   2.095  16.236   6.206
  107   1HG   PRO  16          2HG       PRO  16   4.431  14.842   7.456
  108   2HG   PRO  16          1HG       PRO  16   2.760  14.964   8.038
  109   1HD   PRO  16          2HD       PRO  16   3.702  12.763   6.775
  110   2HD   PRO  16          1HD       PRO  16   2.015  13.295   6.629
  111    H    LEU  17           H        LEU  17   5.568  13.945   5.219
  112    HA   LEU  17           HA       LEU  17   7.550  15.912   4.899
  113   1HB   LEU  17          2HB       LEU  17   7.710  13.610   6.018
  114   2HB   LEU  17          1HB       LEU  17   7.983  12.977   4.406
  115    HG   LEU  17           HG       LEU  17   9.718  15.219   5.293
  116   1HD1  LEU  17          1HD1      LEU  17   9.645  12.533   6.559
  117   2HD1  LEU  17          2HD1      LEU  17  10.072  14.099   7.247
  118   3HD1  LEU  17          3HD1      LEU  17  11.218  13.249   6.211
  119   1HD2  LEU  17          1HD2      LEU  17  10.533  12.678   3.941
  120   2HD2  LEU  17          2HD2      LEU  17  11.256  14.282   3.833
  121   3HD2  LEU  17          3HD2      LEU  17   9.715  13.953   3.039
  122    H    GLY  18           H        GLY  18   6.920  13.152   2.719
  123   1HA   GLY  18          2HA       GLY  18   7.594  14.933   0.461
  124   2HA   GLY  18          1HA       GLY  18   8.251  13.307   0.574
  125    H    ILE  19           H        ILE  19   5.692  15.221  -0.535
  126    HA   ILE  19           HA       ILE  19   3.893  12.941  -0.880
  127    HB   ILE  19           HB       ILE  19   3.364  15.789  -1.707
  128   1HG1  ILE  19          2HG1      ILE  19   1.981  15.060   0.697
  129   2HG1  ILE  19          1HG1      ILE  19   3.706  14.806   0.934
  130   1HG2  ILE  19          1HG2      ILE  19   1.365  15.065  -2.357
  131   2HG2  ILE  19          2HG2      ILE  19   1.106  14.211  -0.835
  132   3HG2  ILE  19          3HG2      ILE  19   1.973  13.423  -2.153
  133   1HD1  ILE  19          1HD1      ILE  19   3.643  17.252  -0.275
  134   2HD1  ILE  19          2HD1      ILE  19   3.756  16.965   1.462
  135   3HD1  ILE  19          3HD1      ILE  19   2.187  17.278   0.720
  136    H    CYS  20           H        CYS  20   6.468  13.377  -2.397
  137    HA   CYS  20           HA       CYS  20   5.400  12.710  -4.993
  138   1HB   CYS  20          2HB       CYS  20   6.896  15.267  -4.502
  139   2HB   CYS  20          1HB       CYS  20   7.005  14.455  -6.060
  140    H    LYS  21           H        LYS  21   7.014  11.460  -2.888
  141    HA   LYS  21           HA       LYS  21   9.474  10.943  -4.428
  142   1HB   LYS  21          2HB       LYS  21   9.610  11.985  -2.049
  143   2HB   LYS  21          1HB       LYS  21   9.218  10.364  -1.493
  144   1HG   LYS  21          2HG       LYS  21  11.571  10.570  -1.423
  145   2HG   LYS  21          1HG       LYS  21  11.191   9.540  -2.805
  146   1HD   LYS  21          2HD       LYS  21  11.314  12.391  -3.452
  147   2HD   LYS  21          1HD       LYS  21  12.838  11.727  -2.861
  148   1HE   LYS  21          2HE       LYS  21  11.453  10.050  -4.828
  149   2HE   LYS  21          1HE       LYS  21  11.982  11.614  -5.444
  150   1HZ   LYS  21          1HZ       LYS  21  14.166  10.853  -4.152
  151   2HZ   LYS  21          2HZ       LYS  21  13.883  10.478  -5.777
  152   3HZ   LYS  21          3HZ       LYS  21  13.560   9.331  -4.577
  153    H    THR  22           H        THR  22   9.097   9.143  -5.572
  154    HA   THR  22           HA       THR  22   7.352   7.064  -4.752
  155    HB   THR  22           HB       THR  22   7.774   7.470  -7.100
  156    HG1  THR  22           1HG      THR  22   7.699   5.417  -7.588
  157   1HG2  THR  22          1HG2      THR  22   9.758   7.646  -8.082
  158   2HG2  THR  22          2HG2      THR  22  10.398   6.231  -7.245
  159   3HG2  THR  22          3HG2      THR  22  10.407   7.805  -6.450
  160    H    LEU  23           H        LEU  23   8.427   4.684  -5.040
  161    HA   LEU  23           HA       LEU  23  10.935   4.369  -3.703
  162   1HB   LEU  23          2HB       LEU  23   8.608   4.580  -2.122
  163   2HB   LEU  23          1HB       LEU  23   9.161   2.922  -2.048
  164    HG   LEU  23           HG       LEU  23  11.238   4.987  -1.666
  165   1HD1  LEU  23          1HD1      LEU  23  10.481   4.967   0.838
  166   2HD1  LEU  23          2HD1      LEU  23   8.888   4.677   0.140
  167   3HD1  LEU  23          3HD1      LEU  23   9.792   6.127  -0.298
  168   1HD2  LEU  23          1HD2      LEU  23  11.169   2.305  -1.429
  169   2HD2  LEU  23          2HD2      LEU  23  10.817   2.776   0.234
  170   3HD2  LEU  23          3HD2      LEU  23  12.294   3.339  -0.547
  171    H    CYS  24           H        CYS  24   7.880   2.561  -4.059
  172    HA   CYS  24           HA       CYS  24   9.412   0.251  -4.990
  173   1HB   CYS  24          2HB       CYS  24   7.344  -1.018  -4.684
  174   2HB   CYS  24          1HB       CYS  24   7.744  -0.122  -3.224
  175    H    ASN  25           H        ASN  25   8.481  -1.029  -6.797
  176    HA   ASN  25           HA       ASN  25   7.439   0.750  -8.902
  177   1HB   ASN  25          2HB       ASN  25   9.629  -1.246  -8.903
  178   2HB   ASN  25          1HB       ASN  25   8.608  -1.210 -10.336
  179   1HD2  ASN  25          1HD2      ASN  25  11.420  -0.179  -9.283
  180   2HD2  ASN  25          2HD2      ASN  25  11.549   1.345 -10.088
  181    H    SER  26           H        SER  26   6.813  -1.989  -7.027
  182    HA   SER  26           HA       SER  26   4.303  -2.466  -8.050
  183   1HB   SER  26          2HB       SER  26   5.310  -3.312 -10.074
  184   2HB   SER  26          1HB       SER  26   6.399  -4.346  -9.152
  185    HG   SER  26           HG       SER  26   3.595  -4.579  -9.448
  186    H    ASP  27           H        ASP  27   3.579  -4.852  -7.412
  187    HA   ASP  27           HA       ASP  27   3.698  -5.060  -4.669
  188   1HB   ASP  27          2HB       ASP  27   2.243  -6.297  -6.521
  189   2HB   ASP  27          1HB       ASP  27   3.409  -7.575  -6.213
  190    H    SER  28           H        SER  28   5.655  -6.784  -7.070
  191    HA   SER  28           HA       SER  28   7.145  -8.289  -5.191
  192   1HB   SER  28          2HB       SER  28   7.363  -7.667  -8.093
  193   2HB   SER  28          1HB       SER  28   8.828  -8.219  -7.280
  194    HG   SER  28           HG       SER  28   7.399  -9.884  -8.207
  195    H    GLY  29           H        GLY  29   7.290  -5.007  -6.204
  196   1HA   GLY  29          2HA       GLY  29  10.033  -4.530  -5.617
  197   2HA   GLY  29          1HA       GLY  29   8.793  -3.309  -5.814
  198    H    CYS  30           H        CYS  30   7.047  -4.029  -3.831
  199    HA   CYS  30           HA       CYS  30   8.331  -2.926  -1.543
  200   1HB   CYS  30          2HB       CYS  30   5.584  -3.959  -2.080
  201   2HB   CYS  30          1HB       CYS  30   6.064  -3.519  -0.448
  202    HA   PRO  31           HA       PRO  31   9.595  -6.692   0.265
  203   1HB   PRO  31          2HB       PRO  31  10.664  -5.752   2.527
  204   2HB   PRO  31          1HB       PRO  31  11.385  -5.399   0.952
  205   1HG   PRO  31          2HG       PRO  31   9.673  -3.673   2.685
  206   2HG   PRO  31          1HG       PRO  31  11.076  -3.230   1.696
  207   1HD   PRO  31          2HD       PRO  31   8.411  -2.894   0.961
  208   2HD   PRO  31          1HD       PRO  31   9.792  -2.900  -0.152
  209    H    ASN  32           H        ASN  32   9.651  -7.483   2.778
  210    HA   ASN  32           HA       ASN  32   8.422  -8.528   4.366
  211   1HB   ASN  32          2HB       ASN  32   7.151  -5.791   4.377
  212   2HB   ASN  32          1HB       ASN  32   6.783  -7.030   5.571
  213   1HD2  ASN  32          1HD2      ASN  32   9.071  -4.714   4.467
  214   2HD2  ASN  32          2HD2      ASN  32  10.188  -4.871   5.775
  215    H    VAL  33           H        VAL  33   5.627  -6.605   3.452
  216    HA   VAL  33           HA       VAL  33   4.481  -8.630   1.778
  217    HB   VAL  33           HB       VAL  33   4.145  -9.642   4.011
  218   1HG1  VAL  33          1HG1      VAL  33   4.014  -7.707   5.408
  219   2HG1  VAL  33          2HG1      VAL  33   2.484  -8.576   5.536
  220   3HG1  VAL  33          3HG1      VAL  33   2.591  -7.119   4.548
  221   1HG2  VAL  33          1HG2      VAL  33   2.390  -9.519   1.970
  222   2HG2  VAL  33          2HG2      VAL  33   1.396  -8.879   3.278
  223   3HG2  VAL  33          3HG2      VAL  33   2.132 -10.474   3.429
  224    H    GLN  34           H        GLN  34   5.042  -5.698   1.938
  225    HA   GLN  34           HA       GLN  34   2.392  -4.516   1.890
  226   1HB   GLN  34          2HB       GLN  34   5.153  -3.366   1.656
  227   2HB   GLN  34          1HB       GLN  34   3.685  -2.409   1.484
  228   1HG   GLN  34          2HG       GLN  34   3.035  -3.438   3.755
  229   2HG   GLN  34          1HG       GLN  34   4.746  -3.805   3.886
  230   1HE2  GLN  34          1HE2      GLN  34   5.782  -1.565   2.614
  231   2HE2  GLN  34          2HE2      GLN  34   5.467  -0.178   3.589
  232    H    LYS  35           H        LYS  35   1.445  -3.570   0.081
  233    HA   LYS  35           HA       LYS  35   2.320  -4.650  -2.457
  234   1HB   LYS  35          2HB       LYS  35  -0.176  -3.641  -1.288
  235   2HB   LYS  35          1HB       LYS  35   0.068  -3.176  -2.960
  236   1HG   LYS  35          2HG       LYS  35  -1.154  -5.176  -3.032
  237   2HG   LYS  35          1HG       LYS  35   0.505  -5.629  -3.433
  238   1HD   LYS  35          2HD       LYS  35   0.868  -6.349  -1.126
  239   2HD   LYS  35          1HD       LYS  35  -0.782  -5.881  -0.715
  240   1HE   LYS  35          2HE       LYS  35  -1.713  -7.633  -1.880
  241   2HE   LYS  35          1HE       LYS  35  -0.325  -7.795  -2.954
  242   1HZ   LYS  35          1HZ       LYS  35  -0.753  -8.909  -0.293
  243   2HZ   LYS  35          2HZ       LYS  35   0.821  -8.420  -0.666
  244   3HZ   LYS  35          3HZ       LYS  35   0.045  -9.573  -1.628
  245    H    CYS  36           H        CYS  36   1.866  -3.021  -4.377
  246    HA   CYS  36           HA       CYS  36   3.142  -0.457  -3.690
  247   1HB   CYS  36          2HB       CYS  36   4.634  -2.117  -4.895
  248   2HB   CYS  36          1HB       CYS  36   3.566  -1.944  -6.282
  249    H    CYS  37           H        CYS  37   1.493   0.953  -3.793
  250    HA   CYS  37           HA       CYS  37   0.012   1.100  -6.328
  251   1HB   CYS  37          2HB       CYS  37  -1.181   0.207  -4.078
  252   2HB   CYS  37          1HB       CYS  37  -1.442   1.934  -3.887
  253    H    LYS  38           H        LYS  38  -1.404   3.317  -6.057
  254    HA   LYS  38           HA       LYS  38   0.642   5.377  -5.827
  255   1HB   LYS  38          2HB       LYS  38  -1.205   4.926  -7.754
  256   2HB   LYS  38          1HB       LYS  38  -2.076   6.084  -6.759
  257   1HG   LYS  38          2HG       LYS  38  -0.859   7.784  -7.508
  258   2HG   LYS  38          1HG       LYS  38   0.655   6.918  -7.243
  259   1HD   LYS  38          2HD       LYS  38   0.792   6.982  -9.492
  260   2HD   LYS  38          1HD       LYS  38  -0.305   5.602  -9.404
  261   1HE   LYS  38          2HE       LYS  38  -1.031   8.494  -9.844
  262   2HE   LYS  38          1HE       LYS  38  -1.176   7.169 -10.998
  263   1HZ   LYS  38          1HZ       LYS  38  -3.297   7.790  -9.933
  264   2HZ   LYS  38          2HZ       LYS  38  -2.667   7.322  -8.435
  265   3HZ   LYS  38          3HZ       LYS  38  -2.873   6.174  -9.661
  266    H    ASN  39           H        ASN  39  -1.045   7.577  -5.434
  267    HA   ASN  39           HA       ASN  39  -2.765   7.425  -3.242
  268   1HB   ASN  39          2HB       ASN  39  -0.748   6.693  -2.017
  269   2HB   ASN  39          1HB       ASN  39   0.065   8.185  -2.480
  270   1HD2  ASN  39          1HD2      ASN  39  -1.052   6.845   0.094
  271   2HD2  ASN  39          2HD2      ASN  39  -1.807   8.168   0.908
  272    H    GLY  40           H        GLY  40  -0.269   9.319  -4.866
  273   1HA   GLY  40          2HA       GLY  40  -1.968  11.385  -5.644
  274   2HA   GLY  40          1HA       GLY  40  -1.237  11.873  -4.122
  275    H    CYS  41           H        CYS  41  -0.719  13.468  -6.170
  276    HA   CYS  41           HA       CYS  41   0.946  14.475  -7.338
  277   1HB   CYS  41          2HB       CYS  41   2.260  14.319  -5.339
  278   2HB   CYS  41          1HB       CYS  41   2.608  12.621  -5.632
  279    H    GLY  42           H        GLY  42   2.534  11.311  -7.128
  280   1HA   GLY  42          2HA       GLY  42   1.746  10.041  -9.384
  281   2HA   GLY  42          1HA       GLY  42   2.851  11.261 -10.000
  282    H    PHE  43           H        PHE  43   2.582   8.500  -7.816
  283    HA   PHE  43           HA       PHE  43   5.174   7.561  -8.578
  284   1HB   PHE  43          2HB       PHE  43   6.003   7.536  -6.149
  285   2HB   PHE  43          1HB       PHE  43   6.078   9.064  -7.015
  286    HD1  PHE  43           1HD      PHE  43   6.285  10.150  -4.810
  287    HD2  PHE  43           2HD      PHE  43   2.797   7.972  -5.909
  288    HE1  PHE  43           1HE      PHE  43   5.035  11.235  -2.991
  289    HE2  PHE  43           2HE      PHE  43   1.545   9.055  -4.095
  290    HZ   PHE  43           HZ       PHE  43   2.661  10.689  -2.633
  291    H    MET  44           H        MET  44   5.768   5.722  -6.759
  292    HA   MET  44           HA       MET  44   3.298   4.231  -6.213
  293   1HB   MET  44          2HB       MET  44   5.164   3.592  -8.226
  294   2HB   MET  44          1HB       MET  44   5.433   2.433  -6.932
  295   1HG   MET  44          2HG       MET  44   3.147   1.726  -7.008
  296   2HG   MET  44          1HG       MET  44   2.745   3.002  -8.156
  297   1HE   MET  44          1HE       MET  44   1.730   0.827 -10.081
  298   2HE   MET  44          2HE       MET  44   2.847   1.389 -11.324
  299   3HE   MET  44          3HE       MET  44   2.178   2.531 -10.159
  300    H    THR  45           H        THR  45   3.277   4.226  -4.047
  301    HA   THR  45           HA       THR  45   5.766   3.570  -2.623
  302    HB   THR  45           HB       THR  45   3.385   4.532  -1.130
  303    HG1  THR  45           1HG      THR  45   4.961   6.254  -2.737
  304   1HG2  THR  45          1HG2      THR  45   6.340   4.877  -0.956
  305   2HG2  THR  45          2HG2      THR  45   5.196   4.330   0.270
  306   3HG2  THR  45          3HG2      THR  45   5.262   6.036  -0.177
  307    H    CYS  46           H        CYS  46   5.206   2.443  -0.405
  308    HA   CYS  46           HA       CYS  46   3.878  -0.017  -1.124
  309   1HB   CYS  46          2HB       CYS  46   5.472   0.794   1.303
  310   2HB   CYS  46          1HB       CYS  46   4.700  -0.776   1.138
  311    H    THR  47           H        THR  47   2.155  -0.934  -0.044
  312    HA   THR  47           HA       THR  47   0.722   0.718   1.901
  313    HB   THR  47           HB       THR  47  -0.187   1.278  -0.316
  314    HG1  THR  47           1HG      THR  47  -2.133  -0.320   0.932
  315   1HG2  THR  47          1HG2      THR  47   0.014  -1.504  -0.801
  316   2HG2  THR  47          2HG2      THR  47  -0.490  -0.220  -1.902
  317   3HG2  THR  47          3HG2      THR  47  -1.686  -1.044  -0.900
  318    H    THR  48           H        THR  48  -1.316  -0.557   2.661
  319    HA   THR  48           HA       THR  48  -0.369  -3.162   3.512
  320    HB   THR  48           HB       THR  48  -2.925  -1.754   4.257
  321    HG1  THR  48           1HG      THR  48  -1.249  -0.444   4.880
  322   1HG2  THR  48          1HG2      THR  48  -3.380  -3.537   5.473
  323   2HG2  THR  48          2HG2      THR  48  -1.898  -3.261   6.387
  324   3HG2  THR  48          3HG2      THR  48  -1.874  -4.304   4.966
  325    HA   PRO  49           HA       PRO  49  -2.500  -5.293   0.203
  326   1HB   PRO  49          2HB       PRO  49  -2.412  -7.514   2.185
  327   2HB   PRO  49          1HB       PRO  49  -1.907  -7.495   0.492
  328   1HG   PRO  49          2HG       PRO  49  -0.101  -7.438   2.445
  329   2HG   PRO  49          1HG       PRO  49   0.121  -6.478   0.970
  330   1HD   PRO  49          2HD       PRO  49  -0.721  -5.601   3.697
  331   2HD   PRO  49          1HD       PRO  49   0.296  -4.766   2.505
  332    H    VAL  50           H        VAL  50  -4.605  -5.596  -0.261
  333    HA   VAL  50           HA       VAL  50  -6.491  -5.843   1.984
  334    HB   VAL  50           HB       VAL  50  -7.137  -4.426  -0.559
  335   1HG1  VAL  50          1HG1      VAL  50  -8.424  -4.386   2.160
  336   2HG1  VAL  50          2HG1      VAL  50  -9.026  -5.248   0.744
  337   3HG1  VAL  50          3HG1      VAL  50  -8.970  -3.485   0.746
  338   1HG2  VAL  50          1HG2      VAL  50  -5.612  -3.471   1.756
  339   2HG2  VAL  50          2HG2      VAL  50  -6.942  -2.425   1.256
  340   3HG2  VAL  50          3HG2      VAL  50  -5.676  -2.850   0.105
  341    HA   PRO  51           HA       PRO  51  -7.927  -9.608   0.145
  342   1HB   PRO  51          2HB       PRO  51 -10.603  -8.636   1.027
  343   2HB   PRO  51          1HB       PRO  51  -9.817 -10.190   1.324
  344   1HG   PRO  51          2HG       PRO  51  -9.967  -8.358   3.249
  345   2HG   PRO  51          1HG       PRO  51  -8.511  -9.352   3.048
  346   1HD   PRO  51          2HD       PRO  51  -8.975  -6.497   2.314
  347   2HD   PRO  51          1HD       PRO  51  -7.503  -7.284   2.918
  Start of MODEL   13
    1   1H    ASN   1          1HT       ASN   1   4.863  -9.436  -7.723
    2   2H    ASN   1          2HT       ASN   1   4.320  -7.852  -8.100
    3   3H    ASN   1          3HT       ASN   1   5.307  -8.710  -9.212
    4    HA   ASN   1           HA       ASN   1   2.887  -8.584  -9.715
    5   1HB   ASN   1          2HB       ASN   1   4.728 -10.896  -9.697
    6   2HB   ASN   1          1HB       ASN   1   3.035 -11.292  -9.982
    7   1HD2  ASN   1          1HD2      ASN   1   5.883  -9.848 -11.240
    8   2HD2  ASN   1          2HD2      ASN   1   5.273  -9.494 -12.818
    9    H    GLU   2           H        GLU   2   1.124 -10.488  -9.505
   10    HA   GLU   2           HA       GLU   2  -0.339 -10.082  -7.288
   11   1HB   GLU   2          2HB       GLU   2  -0.175 -12.414  -9.148
   12   2HB   GLU   2          1HB       GLU   2  -1.235 -12.502  -7.748
   13   1HG   GLU   2          2HG       GLU   2  -2.520 -11.779  -9.616
   14   2HG   GLU   2          1HG       GLU   2  -2.331 -10.414  -8.516
   15    H    LYS   3           H        LYS   3   0.503 -10.127  -5.274
   16    HA   LYS   3           HA       LYS   3   2.128 -12.383  -4.417
   17   1HB   LYS   3          2HB       LYS   3   2.237  -9.729  -3.816
   18   2HB   LYS   3          1HB       LYS   3   1.352 -10.349  -2.429
   19   1HG   LYS   3          2HG       LYS   3   3.210 -12.064  -2.201
   20   2HG   LYS   3          1HG       LYS   3   4.110 -11.080  -3.356
   21   1HD   LYS   3          2HD       LYS   3   2.909  -9.627  -1.088
   22   2HD   LYS   3          1HD       LYS   3   4.218 -10.737  -0.682
   23   1HE   LYS   3          2HE       LYS   3   5.156  -9.417  -2.920
   24   2HE   LYS   3          1HE       LYS   3   4.304  -8.158  -2.025
   25   1HZ   LYS   3          1HZ       LYS   3   5.625  -9.133  -0.032
   26   2HZ   LYS   3          2HZ       LYS   3   6.386  -8.067  -1.103
   27   3HZ   LYS   3          3HZ       LYS   3   6.656  -9.731  -1.234
   28    H    SER   4           H        SER   4  -0.590 -10.652  -2.891
   29    HA   SER   4           HA       SER   4  -1.856 -13.228  -2.311
   30   1HB   SER   4          2HB       SER   4  -2.265 -12.552   0.035
   31   2HB   SER   4          1HB       SER   4  -0.544 -12.708  -0.315
   32    HG   SER   4           HG       SER   4  -2.041 -10.456   0.289
   33    H    GLY   5           H        GLY   5  -2.297  -9.756  -1.577
   34   1HA   GLY   5          2HA       GLY   5  -5.096 -10.038  -2.451
   35   2HA   GLY   5          1HA       GLY   5  -4.515  -8.834  -1.313
   36    H    SER   6           H        SER   6  -4.931  -6.945  -2.256
   37    HA   SER   6           HA       SER   6  -3.542  -6.314  -4.719
   38   1HB   SER   6          2HB       SER   6  -6.306  -5.313  -4.770
   39   2HB   SER   6          1HB       SER   6  -5.333  -6.005  -6.067
   40    HG   SER   6           HG       SER   6  -7.105  -7.341  -5.532
   41    H    CYS   7           H        CYS   7  -4.718  -3.844  -5.192
   42    HA   CYS   7           HA       CYS   7  -3.526  -2.286  -3.088
   43   1HB   CYS   7          2HB       CYS   7  -3.149  -1.574  -5.354
   44   2HB   CYS   7          1HB       CYS   7  -4.876  -1.522  -5.681
   45    HA   PRO   8           HA       PRO   8  -7.142  -1.569  -0.626
   46   1HB   PRO   8          2HB       PRO   8  -6.036   1.164  -0.255
   47   2HB   PRO   8          1HB       PRO   8  -6.490  -0.040   0.955
   48   1HG   PRO   8          2HG       PRO   8  -3.927   0.463   0.425
   49   2HG   PRO   8          1HG       PRO   8  -4.486  -1.187   0.759
   50   1HD   PRO   8          2HD       PRO   8  -3.791   0.087  -1.853
   51   2HD   PRO   8          1HD       PRO   8  -3.485  -1.567  -1.287
   52    H    ASP   9           H        ASP   9  -8.392   0.862  -0.218
   53    HA   ASP   9           HA       ASP   9  -9.093   1.875  -2.872
   54   1HB   ASP   9          2HB       ASP   9 -10.878   0.363  -1.032
   55   2HB   ASP   9          1HB       ASP   9 -11.570   1.747  -1.872
   56    H    MET  10           H        MET  10  -9.697   2.150   0.623
   57    HA   MET  10           HA       MET  10  -9.914   5.066   0.268
   58   1HB   MET  10          2HB       MET  10 -11.161   3.184   2.247
   59   2HB   MET  10          1HB       MET  10 -10.995   4.893   2.619
   60   1HG   MET  10          2HG       MET  10 -12.722   5.443   1.338
   61   2HG   MET  10          1HG       MET  10 -12.143   4.459  -0.004
   62   1HE   MET  10          1HE       MET  10 -14.510   4.724   3.052
   63   2HE   MET  10          2HE       MET  10 -13.276   3.641   3.695
   64   3HE   MET  10          3HE       MET  10 -14.907   3.041   3.397
   65    H    SER  11           H        SER  11  -8.301   2.490   1.984
   66    HA   SER  11           HA       SER  11  -6.431   2.445   3.278
   67   1HB   SER  11          2HB       SER  11  -6.121   4.938   1.701
   68   2HB   SER  11          1HB       SER  11  -5.106   4.792   3.135
   69    HG   SER  11           HG       SER  11  -3.979   3.292   2.178
   70    H    MET  12           H        MET  12  -6.576   2.433   5.411
   71    HA   MET  12           HA       MET  12  -8.148   4.362   6.827
   72   1HB   MET  12          2HB       MET  12  -7.090   1.756   7.323
   73   2HB   MET  12          1HB       MET  12  -6.600   2.812   8.641
   74   1HG   MET  12          2HG       MET  12  -9.070   3.521   8.705
   75   2HG   MET  12          1HG       MET  12  -9.355   2.065   7.753
   76   1HE   MET  12          1HE       MET  12  -9.107  -0.511   8.862
   77   2HE   MET  12          2HE       MET  12  -7.893  -0.691  10.129
   78   3HE   MET  12          3HE       MET  12  -7.457   0.052   8.590
   79    HA   PRO  13           HA       PRO  13  -3.979   5.714   8.776
   80   1HB   PRO  13          2HB       PRO  13  -1.674   4.612   7.908
   81   2HB   PRO  13          1HB       PRO  13  -2.664   3.862   9.167
   82   1HG   PRO  13          2HG       PRO  13  -2.501   3.214   6.248
   83   2HG   PRO  13          1HG       PRO  13  -2.553   2.113   7.637
   84   1HD   PRO  13          2HD       PRO  13  -4.735   2.690   6.115
   85   2HD   PRO  13          1HD       PRO  13  -4.837   2.273   7.837
   86    H    ILE  14           H        ILE  14  -3.169   7.632   8.171
   87    HA   ILE  14           HA       ILE  14  -2.230   8.001   5.420
   88    HB   ILE  14           HB       ILE  14  -4.114   9.952   6.745
   89   1HG1  ILE  14          2HG1      ILE  14  -5.396   8.956   4.507
   90   2HG1  ILE  14          1HG1      ILE  14  -4.644   7.522   5.199
   91   1HG2  ILE  14          1HG2      ILE  14  -4.211  10.955   4.501
   92   2HG2  ILE  14          2HG2      ILE  14  -3.014   9.786   3.941
   93   3HG2  ILE  14          3HG2      ILE  14  -2.580  10.973   5.171
   94   1HD1  ILE  14          1HD1      ILE  14  -6.841   7.710   6.082
   95   2HD1  ILE  14          2HD1      ILE  14  -6.578   9.394   6.534
   96   3HD1  ILE  14          3HD1      ILE  14  -5.709   8.109   7.373
   97    HA   PRO  15           HA       PRO  15   0.652   9.872   8.525
   98   1HB   PRO  15          2HB       PRO  15   2.921   9.117   7.236
   99   2HB   PRO  15          1HB       PRO  15   2.067   8.069   8.375
  100   1HG   PRO  15          2HG       PRO  15   1.977   8.086   5.382
  101   2HG   PRO  15          1HG       PRO  15   2.075   6.704   6.491
  102   1HD   PRO  15          2HD       PRO  15  -0.244   7.472   5.326
  103   2HD   PRO  15          1HD       PRO  15  -0.186   6.753   6.949
  104    HA   PRO  16           HA       PRO  16   0.997  13.435   5.807
  105   1HB   PRO  16          2HB       PRO  16   1.859  15.197   7.653
  106   2HB   PRO  16          1HB       PRO  16   0.181  14.645   7.596
  107   1HG   PRO  16          2HG       PRO  16   2.414  13.737   9.371
  108   2HG   PRO  16          1HG       PRO  16   0.725  14.081   9.787
  109   1HD   PRO  16          2HD       PRO  16   1.680  11.560   9.386
  110   2HD   PRO  16          1HD       PRO  16  -0.001  12.025   9.061
  111    H    LEU  17           H        LEU  17   3.544  12.194   7.875
  112    HA   LEU  17           HA       LEU  17   5.685  13.759   7.019
  113   1HB   LEU  17          2HB       LEU  17   5.732  12.173   8.927
  114   2HB   LEU  17          1HB       LEU  17   5.750  10.841   7.787
  115    HG   LEU  17           HG       LEU  17   7.916  11.723   6.892
  116   1HD1  LEU  17          1HD1      LEU  17   7.351  13.774   8.940
  117   2HD1  LEU  17          2HD1      LEU  17   8.218  13.903   7.410
  118   3HD1  LEU  17          3HD1      LEU  17   9.018  13.212   8.822
  119   1HD2  LEU  17          1HD2      LEU  17   9.113  10.508   8.393
  120   2HD2  LEU  17          2HD2      LEU  17   7.492  10.029   8.895
  121   3HD2  LEU  17          3HD2      LEU  17   8.357  11.279   9.789
  122    H    GLY  18           H        GLY  18   6.537  14.021   5.072
  123   1HA   GLY  18          2HA       GLY  18   7.254  13.596   2.933
  124   2HA   GLY  18          1HA       GLY  18   7.321  11.900   3.393
  125    H    ILE  19           H        ILE  19   5.972  14.005   1.271
  126    HA   ILE  19           HA       ILE  19   3.405  12.644   1.060
  127    HB   ILE  19           HB       ILE  19   4.369  14.817  -0.785
  128   1HG1  ILE  19          2HG1      ILE  19   2.722  15.986   1.171
  129   2HG1  ILE  19          1HG1      ILE  19   3.897  15.024   2.063
  130   1HG2  ILE  19          1HG2      ILE  19   2.138  13.305  -0.870
  131   2HG2  ILE  19          2HG2      ILE  19   2.225  14.958  -1.479
  132   3HG2  ILE  19          3HG2      ILE  19   1.571  14.643   0.129
  133   1HD1  ILE  19          1HD1      ILE  19   4.263  17.573   1.122
  134   2HD1  ILE  19          2HD1      ILE  19   5.112  16.580  -0.063
  135   3HD1  ILE  19          3HD1      ILE  19   5.532  16.467   1.646
  136    H    CYS  20           H        CYS  20   4.032  13.536  -2.017
  137    HA   CYS  20           HA       CYS  20   4.146  10.961  -3.039
  138   1HB   CYS  20          2HB       CYS  20   4.082  13.605  -4.075
  139   2HB   CYS  20          1HB       CYS  20   5.387  12.753  -4.894
  140    H    LYS  21           H        LYS  21   5.707   9.501  -2.943
  141    HA   LYS  21           HA       LYS  21   8.436  10.206  -3.563
  142   1HB   LYS  21          2HB       LYS  21   7.800  10.367  -0.928
  143   2HB   LYS  21          1HB       LYS  21   8.273   8.677  -1.041
  144   1HG   LYS  21          2HG       LYS  21  10.370   9.347  -0.808
  145   2HG   LYS  21          1HG       LYS  21  10.255  10.037  -2.428
  146   1HD   LYS  21          2HD       LYS  21   9.074  11.780  -0.436
  147   2HD   LYS  21          1HD       LYS  21  10.758  11.408  -0.060
  148   1HE   LYS  21          2HE       LYS  21  10.273  12.032  -2.878
  149   2HE   LYS  21          1HE       LYS  21   9.909  13.360  -1.778
  150   1HZ   LYS  21          1HZ       LYS  21  12.419  11.964  -1.322
  151   2HZ   LYS  21          2HZ       LYS  21  12.066  13.615  -1.231
  152   3HZ   LYS  21          3HZ       LYS  21  12.333  12.890  -2.736
  153    H    THR  22           H        THR  22   7.980   8.802  -5.325
  154    HA   THR  22           HA       THR  22   7.076   6.168  -5.110
  155    HB   THR  22           HB       THR  22   7.158   7.300  -7.246
  156    HG1  THR  22           1HG      THR  22   7.491   4.952  -7.108
  157   1HG2  THR  22          1HG2      THR  22  10.146   7.054  -7.245
  158   2HG2  THR  22          2HG2      THR  22   9.307   8.538  -6.792
  159   3HG2  THR  22          3HG2      THR  22   9.112   7.874  -8.415
  160    H    LEU  23           H        LEU  23   7.957   4.629  -3.893
  161    HA   LEU  23           HA       LEU  23  10.895   4.428  -3.804
  162   1HB   LEU  23          2HB       LEU  23  10.648   3.335  -1.637
  163   2HB   LEU  23          1HB       LEU  23   9.936   4.937  -1.632
  164    HG   LEU  23           HG       LEU  23   7.787   3.347  -2.280
  165   1HD1  LEU  23          1HD1      LEU  23   9.764   1.743  -0.820
  166   2HD1  LEU  23          2HD1      LEU  23   8.383   1.239  -1.795
  167   3HD1  LEU  23          3HD1      LEU  23   8.144   1.744  -0.122
  168   1HD2  LEU  23          1HD2      LEU  23   7.908   5.236  -0.674
  169   2HD2  LEU  23          2HD2      LEU  23   8.638   4.142   0.501
  170   3HD2  LEU  23          3HD2      LEU  23   6.994   3.854  -0.068
  171    H    CYS  24           H        CYS  24   7.933   2.779  -4.534
  172    HA   CYS  24           HA       CYS  24   9.479   0.336  -5.118
  173   1HB   CYS  24          2HB       CYS  24   7.450  -0.965  -4.727
  174   2HB   CYS  24          1HB       CYS  24   7.854  -0.013  -3.302
  175    H    ASN  25           H        ASN  25   8.595  -0.985  -6.894
  176    HA   ASN  25           HA       ASN  25   7.457   0.723  -9.008
  177   1HB   ASN  25          2HB       ASN  25   9.753  -1.097  -8.975
  178   2HB   ASN  25          1HB       ASN  25   8.667  -1.366 -10.334
  179   1HD2  ASN  25          1HD2      ASN  25  11.398  -0.290 -10.227
  180   2HD2  ASN  25          2HD2      ASN  25  11.320   1.255 -10.996
  181    H    SER  26           H        SER  26   6.961  -2.043  -7.099
  182    HA   SER  26           HA       SER  26   4.423  -2.559  -8.045
  183   1HB   SER  26          2HB       SER  26   5.407  -3.387 -10.094
  184   2HB   SER  26          1HB       SER  26   6.516  -4.418  -9.190
  185    HG   SER  26           HG       SER  26   4.092  -5.007 -10.048
  186    H    ASP  27           H        ASP  27   3.763  -4.961  -7.395
  187    HA   ASP  27           HA       ASP  27   3.910  -5.167  -4.663
  188   1HB   ASP  27          2HB       ASP  27   2.504  -6.465  -6.511
  189   2HB   ASP  27          1HB       ASP  27   3.720  -7.696  -6.200
  190    H    SER  28           H        SER  28   5.904  -6.875  -7.052
  191    HA   SER  28           HA       SER  28   7.456  -8.314  -5.191
  192   1HB   SER  28          2HB       SER  28   7.663  -7.643  -8.080
  193   2HB   SER  28          1HB       SER  28   9.149  -8.136  -7.269
  194    HG   SER  28           HG       SER  28   7.428  -9.742  -8.234
  195    H    GLY  29           H        GLY  29   7.504  -5.018  -6.188
  196   1HA   GLY  29          2HA       GLY  29  10.221  -4.470  -5.519
  197   2HA   GLY  29          1HA       GLY  29   8.965  -3.280  -5.789
  198    H    CYS  30           H        CYS  30   7.163  -4.160  -3.836
  199    HA   CYS  30           HA       CYS  30   8.346  -2.954  -1.517
  200   1HB   CYS  30          2HB       CYS  30   5.622  -3.980  -2.169
  201   2HB   CYS  30          1HB       CYS  30   6.030  -3.533  -0.519
  202    HA   PRO  31           HA       PRO  31   9.499  -6.668   0.447
  203   1HB   PRO  31          2HB       PRO  31  10.273  -5.712   2.818
  204   2HB   PRO  31          1HB       PRO  31  11.142  -5.305   1.333
  205   1HG   PRO  31          2HG       PRO  31   9.181  -3.679   2.888
  206   2HG   PRO  31          1HG       PRO  31  10.656  -3.162   2.052
  207   1HD   PRO  31          2HD       PRO  31   8.062  -2.945   1.052
  208   2HD   PRO  31          1HD       PRO  31   9.549  -2.855   0.089
  209    H    ASN  32           H        ASN  32   9.315  -7.526   2.915
  210    HA   ASN  32           HA       ASN  32   7.947  -8.692   4.300
  211   1HB   ASN  32          2HB       ASN  32   6.736  -5.931   4.398
  212   2HB   ASN  32          1HB       ASN  32   6.214  -7.238   5.456
  213   1HD2  ASN  32          1HD2      ASN  32   8.380  -4.724   5.028
  214   2HD2  ASN  32          2HD2      ASN  32   9.469  -5.097   6.315
  215    H    VAL  33           H        VAL  33   5.195  -6.719   3.419
  216    HA   VAL  33           HA       VAL  33   4.172  -8.635   1.522
  217    HB   VAL  33           HB       VAL  33   3.626  -9.704   3.685
  218   1HG1  VAL  33          1HG1      VAL  33   3.225  -7.204   4.637
  219   2HG1  VAL  33          2HG1      VAL  33   2.621  -8.669   5.410
  220   3HG1  VAL  33          3HG1      VAL  33   1.563  -7.723   4.363
  221   1HG2  VAL  33          1HG2      VAL  33   1.983  -9.329   1.508
  222   2HG2  VAL  33          2HG2      VAL  33   0.938  -8.935   2.873
  223   3HG2  VAL  33          3HG2      VAL  33   1.738 -10.504   2.800
  224    H    GLN  34           H        GLN  34   4.767  -5.689   1.972
  225    HA   GLN  34           HA       GLN  34   2.191  -4.418   1.726
  226   1HB   GLN  34          2HB       GLN  34   5.024  -3.438   1.708
  227   2HB   GLN  34          1HB       GLN  34   3.662  -2.378   1.365
  228   1HG   GLN  34          2HG       GLN  34   2.714  -3.325   3.583
  229   2HG   GLN  34          1HG       GLN  34   4.388  -3.755   3.896
  230   1HE2  GLN  34          1HE2      GLN  34   5.623  -1.585   2.652
  231   2HE2  GLN  34          2HE2      GLN  34   5.276  -0.161   3.561
  232    H    LYS  35           H        LYS  35   1.325  -3.522  -0.122
  233    HA   LYS  35           HA       LYS  35   2.359  -4.550  -2.619
  234   1HB   LYS  35          2HB       LYS  35  -0.212  -3.566  -1.582
  235   2HB   LYS  35          1HB       LYS  35   0.121  -3.123  -3.244
  236   1HG   LYS  35          2HG       LYS  35  -1.152  -5.198  -3.097
  237   2HG   LYS  35          1HG       LYS  35   0.433  -5.462  -3.829
  238   1HD   LYS  35          2HD       LYS  35   1.289  -6.449  -1.863
  239   2HD   LYS  35          1HD       LYS  35  -0.070  -5.876  -0.893
  240   1HE   LYS  35          2HE       LYS  35  -1.554  -7.336  -2.302
  241   2HE   LYS  35          1HE       LYS  35  -0.089  -8.014  -3.009
  242   1HZ   LYS  35          1HZ       LYS  35  -1.277  -8.496  -0.427
  243   2HZ   LYS  35          2HZ       LYS  35   0.393  -8.233  -0.369
  244   3HZ   LYS  35          3HZ       LYS  35  -0.234  -9.469  -1.337
  245    H    CYS  36           H        CYS  36   2.092  -2.939  -4.541
  246    HA   CYS  36           HA       CYS  36   3.425  -0.443  -3.739
  247   1HB   CYS  36          2HB       CYS  36   4.666  -2.093  -5.224
  248   2HB   CYS  36          1HB       CYS  36   3.510  -1.686  -6.487
  249    H    CYS  37           H        CYS  37   1.531   0.727  -3.371
  250    HA   CYS  37           HA       CYS  37   0.154   1.563  -5.825
  251   1HB   CYS  37          2HB       CYS  37  -1.082  -0.037  -4.028
  252   2HB   CYS  37          1HB       CYS  37  -1.468   1.538  -3.354
  253    H    LYS  38           H        LYS  38  -1.389   3.529  -5.020
  254    HA   LYS  38           HA       LYS  38   0.261   5.310  -3.370
  255   1HB   LYS  38          2HB       LYS  38  -0.143   5.494  -6.159
  256   2HB   LYS  38          1HB       LYS  38  -1.093   6.777  -5.433
  257   1HG   LYS  38          2HG       LYS  38   1.693   6.433  -4.482
  258   2HG   LYS  38          1HG       LYS  38   1.454   7.086  -6.101
  259   1HD   LYS  38          2HD       LYS  38   1.421   9.034  -4.919
  260   2HD   LYS  38          1HD       LYS  38  -0.291   8.619  -4.817
  261   1HE   LYS  38          2HE       LYS  38   0.127   9.036  -2.613
  262   2HE   LYS  38          1HE       LYS  38   0.524   7.319  -2.664
  263   1HZ   LYS  38          1HZ       LYS  38   2.876   8.386  -3.291
  264   2HZ   LYS  38          2HZ       LYS  38   2.410   8.039  -1.703
  265   3HZ   LYS  38          3HZ       LYS  38   2.265   9.614  -2.301
  266    H    ASN  39           H        ASN  39  -1.438   7.567  -3.671
  267    HA   ASN  39           HA       ASN  39  -4.059   6.681  -2.749
  268   1HB   ASN  39          2HB       ASN  39  -2.068   8.228  -1.123
  269   2HB   ASN  39          1HB       ASN  39  -3.794   8.482  -0.876
  270   1HD2  ASN  39          1HD2      ASN  39  -4.904   6.094  -1.031
  271   2HD2  ASN  39          2HD2      ASN  39  -4.259   5.010   0.149
  272    H    GLY  40           H        GLY  40  -1.962   9.462  -3.475
  273   1HA   GLY  40          2HA       GLY  40  -4.322  10.771  -4.680
  274   2HA   GLY  40          1HA       GLY  40  -3.134  11.667  -3.746
  275    H    CYS  41           H        CYS  41  -1.189  12.242  -4.677
  276    HA   CYS  41           HA       CYS  41  -1.135  12.711  -7.407
  277   1HB   CYS  41          2HB       CYS  41   1.324  13.153  -7.003
  278   2HB   CYS  41          1HB       CYS  41   0.209  14.059  -5.994
  279    H    GLY  42           H        GLY  42   1.051  12.016  -8.642
  280   1HA   GLY  42          2HA       GLY  42   0.644   9.318  -9.387
  281   2HA   GLY  42          1HA       GLY  42   1.972  10.342  -9.914
  282    H    PHE  43           H        PHE  43   3.657   8.953  -9.705
  283    HA   PHE  43           HA       PHE  43   5.307   7.752  -8.698
  284   1HB   PHE  43          2HB       PHE  43   4.220   9.213  -6.289
  285   2HB   PHE  43          1HB       PHE  43   5.621   8.154  -6.205
  286    HD1  PHE  43           1HD      PHE  43   6.559  10.380  -5.265
  287    HD2  PHE  43           2HD      PHE  43   5.512   9.783  -9.348
  288    HE1  PHE  43           1HE      PHE  43   8.011  12.257  -5.909
  289    HE2  PHE  43           2HE      PHE  43   6.964  11.658  -9.997
  290    HZ   PHE  43           HZ       PHE  43   8.215  12.898  -8.277
  291    H    MET  44           H        MET  44   5.635   6.165  -6.654
  292    HA   MET  44           HA       MET  44   3.196   4.712  -6.043
  293   1HB   MET  44          2HB       MET  44   5.034   3.876  -8.120
  294   2HB   MET  44          1HB       MET  44   4.921   2.663  -6.854
  295   1HG   MET  44          2HG       MET  44   2.786   2.141  -7.351
  296   2HG   MET  44          1HG       MET  44   2.369   3.794  -7.801
  297   1HE   MET  44          1HE       MET  44   1.357   1.508 -10.624
  298   2HE   MET  44          2HE       MET  44   1.249   3.265 -10.736
  299   3HE   MET  44          3HE       MET  44   0.911   2.457  -9.205
  300    H    THR  45           H        THR  45   3.273   4.231  -3.970
  301    HA   THR  45           HA       THR  45   5.882   3.599  -2.753
  302    HB   THR  45           HB       THR  45   5.033   4.582  -0.653
  303    HG1  THR  45           1HG      THR  45   3.076   5.450  -0.521
  304   1HG2  THR  45          1HG2      THR  45   5.794   6.594  -1.181
  305   2HG2  THR  45          2HG2      THR  45   4.478   6.877  -2.321
  306   3HG2  THR  45          3HG2      THR  45   5.921   6.005  -2.838
  307    H    CYS  46           H        CYS  46   5.464   2.424  -0.532
  308    HA   CYS  46           HA       CYS  46   3.972   0.057  -1.190
  309   1HB   CYS  46          2HB       CYS  46   5.641   0.792   1.213
  310   2HB   CYS  46          1HB       CYS  46   4.823  -0.755   1.035
  311    H    THR  47           H        THR  47   2.230  -0.774  -0.119
  312    HA   THR  47           HA       THR  47   0.916   0.889   1.901
  313    HB   THR  47           HB       THR  47  -0.838  -0.245  -0.212
  314    HG1  THR  47           1HG      THR  47   0.577   2.177  -0.606
  315   1HG2  THR  47          1HG2      THR  47  -0.871   2.073   1.636
  316   2HG2  THR  47          2HG2      THR  47  -2.135   0.902   1.259
  317   3HG2  THR  47          3HG2      THR  47  -1.760   2.193   0.117
  318    H    THR  48           H        THR  48  -1.249  -0.350   2.542
  319    HA   THR  48           HA       THR  48  -0.366  -2.941   3.467
  320    HB   THR  48           HB       THR  48  -3.005  -1.571   3.952
  321    HG1  THR  48           1HG      THR  48  -2.015  -0.337   5.310
  322   1HG2  THR  48          1HG2      THR  48  -3.383  -2.993   5.710
  323   2HG2  THR  48          2HG2      THR  48  -1.681  -3.435   5.857
  324   3HG2  THR  48          3HG2      THR  48  -2.647  -4.071   4.525
  325    HA   PRO  49           HA       PRO  49  -2.409  -5.165   0.205
  326   1HB   PRO  49          2HB       PRO  49  -2.351  -7.642   1.296
  327   2HB   PRO  49          1HB       PRO  49  -0.912  -6.860   0.633
  328   1HG   PRO  49          2HG       PRO  49  -1.799  -7.086   3.483
  329   2HG   PRO  49          1HG       PRO  49  -0.179  -7.303   2.795
  330   1HD   PRO  49          2HD       PRO  49  -0.950  -5.018   4.034
  331   2HD   PRO  49          1HD       PRO  49   0.221  -5.037   2.699
  332    H    VAL  50           H        VAL  50  -4.514  -5.300  -0.242
  333    HA   VAL  50           HA       VAL  50  -6.398  -5.669   1.980
  334    HB   VAL  50           HB       VAL  50  -6.679  -3.621   0.636
  335   1HG1  VAL  50          1HG1      VAL  50  -6.859  -3.562  -1.610
  336   2HG1  VAL  50          2HG1      VAL  50  -7.771  -5.069  -1.684
  337   3HG1  VAL  50          3HG1      VAL  50  -6.017  -5.108  -1.514
  338   1HG2  VAL  50          1HG2      VAL  50  -8.641  -4.367   1.702
  339   2HG2  VAL  50          2HG2      VAL  50  -8.863  -5.684   0.551
  340   3HG2  VAL  50          3HG2      VAL  50  -9.119  -4.015   0.042
  341    HA   PRO  51           HA       PRO  51  -7.333  -9.734   0.446
  342   1HB   PRO  51          2HB       PRO  51  -9.667 -10.147   1.765
  343   2HB   PRO  51          1HB       PRO  51  -8.092 -10.213   2.563
  344   1HG   PRO  51          2HG       PRO  51 -10.088  -7.983   2.492
  345   2HG   PRO  51          1HG       PRO  51  -9.136  -8.590   3.859
  346   1HD   PRO  51          2HD       PRO  51  -8.457  -6.359   2.482
  347   2HD   PRO  51          1HD       PRO  51  -7.251  -7.428   3.225
  Start of MODEL   14
    1   1H    ASN   1          1HT       ASN   1   2.629 -12.851 -10.854
    2   2H    ASN   1          2HT       ASN   1   2.233 -12.054 -12.321
    3   3H    ASN   1          3HT       ASN   1   0.989 -12.678 -11.318
    4    HA   ASN   1           HA       ASN   1   2.875 -10.620 -10.419
    5   1HB   ASN   1          2HB       ASN   1   0.982  -9.031 -10.954
    6   2HB   ASN   1          1HB       ASN   1   1.814  -9.697 -12.356
    7   1HD2  ASN   1          1HD2      ASN   1  -0.082  -9.126 -13.548
    8   2HD2  ASN   1          2HD2      ASN   1  -1.465 -10.162 -13.526
    9    H    GLU   2           H        GLU   2   1.309  -9.137  -8.962
   10    HA   GLU   2           HA       GLU   2   0.356  -8.947  -6.922
   11   1HB   GLU   2          2HB       GLU   2  -1.773  -9.920  -6.617
   12   2HB   GLU   2          1HB       GLU   2  -1.608  -9.660  -8.346
   13   1HG   GLU   2          2HG       GLU   2  -1.510 -11.897  -8.814
   14   2HG   GLU   2          1HG       GLU   2  -0.874 -12.318  -7.226
   15    H    LYS   3           H        LYS   3   0.371  -9.718  -4.804
   16    HA   LYS   3           HA       LYS   3   2.038 -12.103  -4.438
   17   1HB   LYS   3          2HB       LYS   3   2.178  -9.527  -3.363
   18   2HB   LYS   3          1HB       LYS   3   1.593 -10.528  -2.046
   19   1HG   LYS   3          2HG       LYS   3   3.503 -12.033  -2.346
   20   2HG   LYS   3          1HG       LYS   3   4.098 -10.998  -3.647
   21   1HD   LYS   3          2HD       LYS   3   3.507  -9.654  -1.086
   22   2HD   LYS   3          1HD       LYS   3   4.877 -10.765  -1.079
   23   1HE   LYS   3          2HE       LYS   3   5.052  -9.215  -3.440
   24   2HE   LYS   3          1HE       LYS   3   4.724  -8.109  -2.107
   25   1HZ   LYS   3          1HZ       LYS   3   7.159  -8.949  -2.745
   26   2HZ   LYS   3          2HZ       LYS   3   6.747 -10.137  -1.613
   27   3HZ   LYS   3          3HZ       LYS   3   6.720  -8.503  -1.173
   28    H    SER   4           H        SER   4  -0.770 -10.484  -2.967
   29    HA   SER   4           HA       SER   4  -1.956 -13.097  -2.438
   30   1HB   SER   4          2HB       SER   4  -1.377 -11.030  -0.311
   31   2HB   SER   4          1HB       SER   4  -2.555 -12.325  -0.094
   32    HG   SER   4           HG       SER   4  -0.844 -13.813  -0.482
   33    H    GLY   5           H        GLY   5  -2.697  -9.807  -1.297
   34   1HA   GLY   5          2HA       GLY   5  -5.396 -10.097  -2.375
   35   2HA   GLY   5          1HA       GLY   5  -4.853  -8.865  -1.247
   36    H    SER   6           H        SER   6  -5.265  -6.989  -2.195
   37    HA   SER   6           HA       SER   6  -3.909  -6.363  -4.675
   38   1HB   SER   6          2HB       SER   6  -6.033  -5.313  -5.593
   39   2HB   SER   6          1HB       SER   6  -6.001  -7.076  -5.584
   40    HG   SER   6           HG       SER   6  -7.184  -5.497  -3.547
   41    H    CYS   7           H        CYS   7  -4.756  -3.924  -5.198
   42    HA   CYS   7           HA       CYS   7  -3.738  -2.373  -3.018
   43   1HB   CYS   7          2HB       CYS   7  -3.152  -1.744  -5.278
   44   2HB   CYS   7          1HB       CYS   7  -4.847  -1.579  -5.718
   45    HA   PRO   8           HA       PRO   8  -7.628  -1.489  -1.068
   46   1HB   PRO   8          2HB       PRO   8  -6.913   0.743   0.313
   47   2HB   PRO   8          1HB       PRO   8  -6.443  -0.888   0.802
   48   1HG   PRO   8          2HG       PRO   8  -4.865   1.171  -0.691
   49   2HG   PRO   8          1HG       PRO   8  -4.347   0.100   0.624
   50   1HD   PRO   8          2HD       PRO   8  -3.778  -0.411  -1.968
   51   2HD   PRO   8          1HD       PRO   8  -4.066  -1.703  -0.788
   52    H    ASP   9           H        ASP   9  -9.235   0.265  -0.882
   53    HA   ASP   9           HA       ASP   9  -9.780   1.461  -3.346
   54   1HB   ASP   9          2HB       ASP   9 -11.231   1.005  -1.112
   55   2HB   ASP   9          1HB       ASP   9 -10.965   2.738  -0.952
   56    H    MET  10           H        MET  10 -10.450   3.997  -3.196
   57    HA   MET  10           HA       MET  10  -7.971   5.376  -3.298
   58   1HB   MET  10          2HB       MET  10 -10.138   5.823  -4.627
   59   2HB   MET  10          1HB       MET  10 -10.655   6.728  -3.212
   60   1HG   MET  10          2HG       MET  10  -9.551   8.493  -3.936
   61   2HG   MET  10          1HG       MET  10  -8.042   7.588  -3.853
   62   1HE   MET  10          1HE       MET  10  -8.492   9.631  -7.336
   63   2HE   MET  10          2HE       MET  10  -8.280   9.907  -5.606
   64   3HE   MET  10          3HE       MET  10  -9.901   9.810  -6.292
   65    H    SER  11           H        SER  11 -10.837   6.184  -1.333
   66    HA   SER  11           HA       SER  11 -11.046   7.189   0.699
   67   1HB   SER  11          2HB       SER  11  -9.663   4.908   1.097
   68   2HB   SER  11          1HB       SER  11  -8.492   6.074   1.711
   69    HG   SER  11           HG       SER  11 -11.075   5.482   2.637
   70    H    MET  12           H        MET  12  -9.360   8.502  -1.408
   71    HA   MET  12           HA       MET  12  -8.666  10.815  -0.037
   72   1HB   MET  12          2HB       MET  12  -6.653   8.758   0.137
   73   2HB   MET  12          1HB       MET  12  -6.025  10.138  -0.754
   74   1HG   MET  12          2HG       MET  12  -6.890  11.562   1.171
   75   2HG   MET  12          1HG       MET  12  -7.069  10.047   2.053
   76   1HE   MET  12          1HE       MET  12  -5.754  10.244   3.858
   77   2HE   MET  12          2HE       MET  12  -4.996  11.833   3.744
   78   3HE   MET  12          3HE       MET  12  -3.999  10.394   3.955
   79    HA   PRO  13           HA       PRO  13  -8.614  12.111  -4.266
   80   1HB   PRO  13          2HB       PRO  13  -7.609  14.605  -3.996
   81   2HB   PRO  13          1HB       PRO  13  -9.240  14.178  -3.464
   82   1HG   PRO  13          2HG       PRO  13  -6.732  14.445  -1.851
   83   2HG   PRO  13          1HG       PRO  13  -8.369  15.016  -1.477
   84   1HD   PRO  13          2HD       PRO  13  -7.320  12.738  -0.428
   85   2HD   PRO  13          1HD       PRO  13  -9.056  12.948  -0.739
   86    H    ILE  14           H        ILE  14  -7.138  12.983  -5.954
   87    HA   ILE  14           HA       ILE  14  -4.577  11.671  -5.776
   88    HB   ILE  14           HB       ILE  14  -5.890  11.550  -7.844
   89   1HG1  ILE  14          2HG1      ILE  14  -3.352  13.121  -8.323
   90   2HG1  ILE  14          1HG1      ILE  14  -3.367  11.430  -7.833
   91   1HG2  ILE  14          1HG2      ILE  14  -6.489  14.152  -7.439
   92   2HG2  ILE  14          2HG2      ILE  14  -6.684  13.321  -8.982
   93   3HG2  ILE  14          3HG2      ILE  14  -5.245  14.295  -8.681
   94   1HD1  ILE  14          1HD1      ILE  14  -3.318  11.008 -10.019
   95   2HD1  ILE  14          2HD1      ILE  14  -3.850  12.635 -10.442
   96   3HD1  ILE  14          3HD1      ILE  14  -5.034  11.411  -9.990
   97    HA   PRO  15           HA       PRO  15  -2.693  15.520  -4.335
   98   1HB   PRO  15          2HB       PRO  15  -0.232  14.478  -3.876
   99   2HB   PRO  15          1HB       PRO  15  -1.586  14.262  -2.761
  100   1HG   PRO  15          2HG       PRO  15  -0.522  12.382  -4.834
  101   2HG   PRO  15          1HG       PRO  15  -1.030  12.040  -3.169
  102   1HD   PRO  15          2HD       PRO  15  -2.613  11.537  -5.306
  103   2HD   PRO  15          1HD       PRO  15  -3.268  12.010  -3.725
  104    HA   PRO  16           HA       PRO  16  -0.886  16.259  -8.438
  105   1HB   PRO  16          2HB       PRO  16  -1.358  18.894  -8.531
  106   2HB   PRO  16          1HB       PRO  16  -2.654  17.716  -8.769
  107   1HG   PRO  16          2HG       PRO  16  -1.959  19.298  -6.326
  108   2HG   PRO  16          1HG       PRO  16  -3.554  18.949  -7.017
  109   1HD   PRO  16          2HD       PRO  16  -2.460  17.579  -4.903
  110   2HD   PRO  16          1HD       PRO  16  -3.674  16.902  -6.005
  111    H    LEU  17           H        LEU  17  -0.207  17.893  -5.409
  112    HA   LEU  17           HA       LEU  17   2.181  19.180  -6.339
  113   1HB   LEU  17          2HB       LEU  17   0.580  19.738  -4.320
  114   2HB   LEU  17          1HB       LEU  17   1.655  18.663  -3.448
  115    HG   LEU  17           HG       LEU  17   3.283  20.496  -4.881
  116   1HD1  LEU  17          1HD1      LEU  17   0.808  21.676  -3.784
  117   2HD1  LEU  17          2HD1      LEU  17   1.856  22.235  -5.088
  118   3HD1  LEU  17          3HD1      LEU  17   2.318  22.507  -3.408
  119   1HD2  LEU  17          1HD2      LEU  17   3.762  21.251  -2.475
  120   2HD2  LEU  17          2HD2      LEU  17   4.100  19.574  -2.901
  121   3HD2  LEU  17          3HD2      LEU  17   2.640  19.977  -1.998
  122    H    GLY  18           H        GLY  18   4.273  18.789  -5.054
  123   1HA   GLY  18          2HA       GLY  18   5.279  16.267  -5.689
  124   2HA   GLY  18          1HA       GLY  18   6.048  17.409  -4.603
  125    H    ILE  19           H        ILE  19   5.676  17.254  -2.387
  126    HA   ILE  19           HA       ILE  19   5.547  16.102  -0.430
  127    HB   ILE  19           HB       ILE  19   2.936  15.579  -1.775
  128   1HG1  ILE  19          2HG1      ILE  19   3.168  16.837   0.896
  129   2HG1  ILE  19          1HG1      ILE  19   3.876  17.723  -0.450
  130   1HG2  ILE  19          1HG2      ILE  19   3.152  13.564  -0.541
  131   2HG2  ILE  19          2HG2      ILE  19   2.126  14.625   0.424
  132   3HG2  ILE  19          3HG2      ILE  19   3.823  14.411   0.853
  133   1HD1  ILE  19          1HD1      ILE  19   1.601  17.341  -1.597
  134   2HD1  ILE  19          2HD1      ILE  19   1.729  18.561  -0.331
  135   3HD1  ILE  19          3HD1      ILE  19   1.024  16.985   0.031
  136    H    CYS  20           H        CYS  20   7.121  14.596  -0.315
  137    HA   CYS  20           HA       CYS  20   8.193  12.606  -0.391
  138   1HB   CYS  20          2HB       CYS  20   5.419  11.440  -0.634
  139   2HB   CYS  20          1HB       CYS  20   6.862  10.638  -0.034
  140    H    LYS  21           H        LYS  21   8.574  10.600  -1.712
  141    HA   LYS  21           HA       LYS  21   7.719  10.954  -4.502
  142   1HB   LYS  21          2HB       LYS  21  10.541  10.299  -3.642
  143   2HB   LYS  21          1HB       LYS  21   9.971  10.511  -5.291
  144   1HG   LYS  21          2HG       LYS  21   9.711  12.820  -5.029
  145   2HG   LYS  21          1HG       LYS  21   9.771  12.714  -3.269
  146   1HD   LYS  21          2HD       LYS  21  11.889  13.475  -3.702
  147   2HD   LYS  21          1HD       LYS  21  12.169  11.734  -3.746
  148   1HE   LYS  21          2HE       LYS  21  11.405  13.131  -6.264
  149   2HE   LYS  21          1HE       LYS  21  13.053  13.311  -5.661
  150   1HZ   LYS  21          1HZ       LYS  21  13.552  11.181  -6.134
  151   2HZ   LYS  21          2HZ       LYS  21  12.284  11.325  -7.244
  152   3HZ   LYS  21          3HZ       LYS  21  12.012  10.599  -5.741
  153    H    THR  22           H        THR  22   8.383   8.965  -5.837
  154    HA   THR  22           HA       THR  22   7.108   6.707  -4.750
  155    HB   THR  22           HB       THR  22   7.132   7.077  -7.135
  156    HG1  THR  22           1HG      THR  22   7.781   5.008  -7.795
  157   1HG2  THR  22          1HG2      THR  22  10.104   6.624  -7.035
  158   2HG2  THR  22          2HG2      THR  22   9.295   8.146  -7.405
  159   3HG2  THR  22          3HG2      THR  22   9.126   6.769  -8.494
  160    H    LEU  23           H        LEU  23   8.360   4.461  -5.098
  161    HA   LEU  23           HA       LEU  23  11.070   4.428  -4.209
  162   1HB   LEU  23          2HB       LEU  23   9.063   4.583  -2.237
  163   2HB   LEU  23          1HB       LEU  23   9.744   2.973  -2.180
  164    HG   LEU  23           HG       LEU  23  11.644   5.252  -2.268
  165   1HD1  LEU  23          1HD1      LEU  23   9.686   4.785  -0.107
  166   2HD1  LEU  23          2HD1      LEU  23  10.530   6.260  -0.580
  167   3HD1  LEU  23          3HD1      LEU  23  11.361   5.039   0.385
  168   1HD2  LEU  23          1HD2      LEU  23  11.791   2.925  -0.419
  169   2HD2  LEU  23          2HD2      LEU  23  13.081   3.787  -1.255
  170   3HD2  LEU  23          3HD2      LEU  23  12.058   2.655  -2.141
  171    H    CYS  24           H        CYS  24   8.044   2.612  -4.444
  172    HA   CYS  24           HA       CYS  24   9.577   0.220  -5.184
  173   1HB   CYS  24          2HB       CYS  24   7.478  -1.017  -4.781
  174   2HB   CYS  24          1HB       CYS  24   7.998  -0.117  -3.361
  175    H    ASN  25           H        ASN  25   8.777  -1.101  -6.956
  176    HA   ASN  25           HA       ASN  25   7.604   0.553  -9.090
  177   1HB   ASN  25          2HB       ASN  25   9.828  -1.390  -9.042
  178   2HB   ASN  25          1HB       ASN  25   8.754  -1.508 -10.433
  179   1HD2  ASN  25          1HD2      ASN  25   8.118   0.907 -11.142
  180   2HD2  ASN  25          2HD2      ASN  25   9.499   1.892 -11.471
  181    H    SER  26           H        SER  26   7.091  -2.158  -7.111
  182    HA   SER  26           HA       SER  26   4.536  -2.662  -8.024
  183   1HB   SER  26          2HB       SER  26   5.507  -3.558 -10.055
  184   2HB   SER  26          1HB       SER  26   6.592  -4.587  -9.122
  185    HG   SER  26           HG       SER  26   5.037  -5.988  -9.367
  186    H    ASP  27           H        ASP  27   3.862  -5.048  -7.317
  187    HA   ASP  27           HA       ASP  27   3.990  -5.188  -4.583
  188   1HB   ASP  27          2HB       ASP  27   2.603  -6.536  -6.401
  189   2HB   ASP  27          1HB       ASP  27   3.827  -7.753  -6.063
  190    H    SER  28           H        SER  28   5.949  -7.080  -6.871
  191    HA   SER  28           HA       SER  28   7.508  -8.379  -4.923
  192   1HB   SER  28          2HB       SER  28   9.147  -8.671  -6.869
  193   2HB   SER  28          1HB       SER  28   7.522  -9.314  -7.102
  194    HG   SER  28           HG       SER  28   8.601  -7.875  -8.796
  195    H    GLY  29           H        GLY  29   7.575  -5.159  -6.126
  196   1HA   GLY  29          2HA       GLY  29  10.319  -4.620  -5.528
  197   2HA   GLY  29          1HA       GLY  29   9.086  -3.430  -5.894
  198    H    CYS  30           H        CYS  30   7.288  -4.277  -3.828
  199    HA   CYS  30           HA       CYS  30   8.421  -2.795  -1.650
  200   1HB   CYS  30          2HB       CYS  30   5.767  -3.991  -2.241
  201   2HB   CYS  30          1HB       CYS  30   6.143  -3.577  -0.575
  202    HA   PRO  31           HA       PRO  31   9.903  -6.159   0.670
  203   1HB   PRO  31          2HB       PRO  31  10.244  -5.009   3.067
  204   2HB   PRO  31          1HB       PRO  31  11.213  -4.542   1.665
  205   1HG   PRO  31          2HG       PRO  31   8.852  -3.171   2.879
  206   2HG   PRO  31          1HG       PRO  31  10.342  -2.469   2.224
  207   1HD   PRO  31          2HD       PRO  31   7.938  -2.614   0.866
  208   2HD   PRO  31          1HD       PRO  31   9.527  -2.453   0.093
  209    H    ASN  32           H        ASN  32   9.601  -7.077   3.045
  210    HA   ASN  32           HA       ASN  32   8.276  -8.461   4.271
  211   1HB   ASN  32          2HB       ASN  32   6.823  -5.823   4.440
  212   2HB   ASN  32          1HB       ASN  32   6.363  -7.223   5.403
  213   1HD2  ASN  32          1HD2      ASN  32   9.051  -5.070   4.660
  214   2HD2  ASN  32          2HD2      ASN  32   9.823  -5.207   6.200
  215    H    VAL  33           H        VAL  33   5.344  -6.766   3.454
  216    HA   VAL  33           HA       VAL  33   4.604  -8.682   1.416
  217    HB   VAL  33           HB       VAL  33   2.430  -9.081   2.696
  218   1HG1  VAL  33          1HG1      VAL  33   4.564 -10.523   4.120
  219   2HG1  VAL  33          2HG1      VAL  33   4.634 -10.578   2.359
  220   3HG1  VAL  33          3HG1      VAL  33   3.193 -11.145   3.201
  221   1HG2  VAL  33          1HG2      VAL  33   2.652  -7.526   4.483
  222   2HG2  VAL  33          2HG2      VAL  33   4.220  -8.190   4.940
  223   3HG2  VAL  33          3HG2      VAL  33   2.755  -9.141   5.181
  224    H    GLN  34           H        GLN  34   4.919  -5.679   2.038
  225    HA   GLN  34           HA       GLN  34   2.287  -4.607   1.670
  226   1HB   GLN  34          2HB       GLN  34   5.044  -3.449   1.783
  227   2HB   GLN  34          1HB       GLN  34   3.650  -2.471   1.350
  228   1HG   GLN  34          2HG       GLN  34   2.627  -3.467   3.520
  229   2HG   GLN  34          1HG       GLN  34   4.308  -3.774   3.935
  230   1HE2  GLN  34          1HE2      GLN  34   5.473  -1.546   2.756
  231   2HE2  GLN  34          2HE2      GLN  34   4.972  -0.138   3.614
  232    H    LYS  35           H        LYS  35   1.423  -3.702  -0.184
  233    HA   LYS  35           HA       LYS  35   2.561  -4.642  -2.670
  234   1HB   LYS  35          2HB       LYS  35  -0.075  -3.782  -1.680
  235   2HB   LYS  35          1HB       LYS  35   0.276  -3.320  -3.334
  236   1HG   LYS  35          2HG       LYS  35  -0.892  -5.428  -3.296
  237   2HG   LYS  35          1HG       LYS  35   0.760  -5.671  -3.870
  238   1HD   LYS  35          2HD       LYS  35   1.420  -6.729  -1.920
  239   2HD   LYS  35          1HD       LYS  35   0.138  -5.985  -0.963
  240   1HE   LYS  35          2HE       LYS  35  -1.517  -7.370  -2.145
  241   2HE   LYS  35          1HE       LYS  35  -0.211  -8.132  -3.049
  242   1HZ   LYS  35          1HZ       LYS  35   0.001  -9.576  -1.402
  243   2HZ   LYS  35          2HZ       LYS  35  -1.193  -8.792  -0.498
  244   3HZ   LYS  35          3HZ       LYS  35   0.426  -8.326  -0.344
  245    H    CYS  36           H        CYS  36   2.227  -3.007  -4.575
  246    HA   CYS  36           HA       CYS  36   3.393  -0.445  -3.717
  247   1HB   CYS  36          2HB       CYS  36   4.832  -1.998  -5.115
  248   2HB   CYS  36          1HB       CYS  36   3.711  -1.709  -6.440
  249    H    CYS  37           H        CYS  37   1.632   0.857  -3.572
  250    HA   CYS  37           HA       CYS  37   0.174   1.350  -6.070
  251   1HB   CYS  37          2HB       CYS  37  -1.000   0.003  -4.042
  252   2HB   CYS  37          1HB       CYS  37  -1.376   1.653  -3.570
  253    H    LYS  38           H        LYS  38  -1.372   3.398  -5.457
  254    HA   LYS  38           HA       LYS  38   0.538   5.470  -4.648
  255   1HB   LYS  38          2HB       LYS  38  -0.545   5.583  -6.910
  256   2HB   LYS  38          1HB       LYS  38  -2.087   5.821  -6.100
  257   1HG   LYS  38          2HG       LYS  38  -1.640   7.967  -5.585
  258   2HG   LYS  38          1HG       LYS  38   0.072   7.653  -5.297
  259   1HD   LYS  38          2HD       LYS  38   0.394   8.732  -7.238
  260   2HD   LYS  38          1HD       LYS  38  -0.136   7.225  -7.987
  261   1HE   LYS  38          2HE       LYS  38  -2.018   9.443  -7.213
  262   2HE   LYS  38          1HE       LYS  38  -1.279   9.313  -8.809
  263   1HZ   LYS  38          1HZ       LYS  38  -3.622   8.243  -8.212
  264   2HZ   LYS  38          2HZ       LYS  38  -2.627   6.937  -7.803
  265   3HZ   LYS  38          3HZ       LYS  38  -2.582   7.576  -9.369
  266    H    ASN  39           H        ASN  39   0.170   4.935  -2.379
  267    HA   ASN  39           HA       ASN  39  -2.012   6.528  -1.301
  268   1HB   ASN  39          2HB       ASN  39  -2.324   3.782  -1.469
  269   2HB   ASN  39          1HB       ASN  39  -1.757   4.023   0.181
  270   1HD2  ASN  39          1HD2      ASN  39  -3.109   4.848   1.668
  271   2HD2  ASN  39          2HD2      ASN  39  -4.740   5.321   1.350
  272    H    GLY  40           H        GLY  40  -1.602   7.365   0.745
  273   1HA   GLY  40          2HA       GLY  40  -0.356   7.387   2.809
  274   2HA   GLY  40          1HA       GLY  40   0.990   6.655   1.951
  275    H    CYS  41           H        CYS  41   1.832   8.057   0.079
  276    HA   CYS  41           HA       CYS  41   1.612  10.913   0.613
  277   1HB   CYS  41          2HB       CYS  41   3.645   9.530   1.806
  278   2HB   CYS  41          1HB       CYS  41   4.404  10.030   0.299
  279    H    GLY  42           H        GLY  42   0.596   9.594  -1.560
  280   1HA   GLY  42          2HA       GLY  42   0.551   9.685  -3.851
  281   2HA   GLY  42          1HA       GLY  42   1.693  11.014  -3.714
  282    H    PHE  43           H        PHE  43   2.172   9.734  -5.860
  283    HA   PHE  43           HA       PHE  43   3.697   8.549  -7.059
  284   1HB   PHE  43          2HB       PHE  43   5.154   8.822  -4.436
  285   2HB   PHE  43          1HB       PHE  43   5.870   7.991  -5.812
  286    HD1  PHE  43           1HD      PHE  43   4.802  11.216  -4.467
  287    HD2  PHE  43           2HD      PHE  43   6.574   9.206  -7.773
  288    HE1  PHE  43           1HE      PHE  43   5.575  13.375  -5.361
  289    HE2  PHE  43           2HE      PHE  43   7.350  11.360  -8.673
  290    HZ   PHE  43           HZ       PHE  43   6.851  13.449  -7.466
  291    H    MET  44           H        MET  44   5.205   6.406  -6.762
  292    HA   MET  44           HA       MET  44   3.287   4.343  -6.035
  293   1HB   MET  44          2HB       MET  44   5.801   4.422  -7.657
  294   2HB   MET  44          1HB       MET  44   5.232   2.881  -7.028
  295   1HG   MET  44          2HG       MET  44   3.293   4.601  -8.472
  296   2HG   MET  44          1HG       MET  44   4.533   3.770  -9.411
  297   1HE   MET  44          1HE       MET  44   2.544   1.997 -10.760
  298   2HE   MET  44          2HE       MET  44   1.814   3.462 -10.104
  299   3HE   MET  44          3HE       MET  44   1.070   1.892  -9.796
  300    H    THR  45           H        THR  45   3.365   4.396  -3.777
  301    HA   THR  45           HA       THR  45   5.923   3.587  -2.565
  302    HB   THR  45           HB       THR  45   5.022   4.429  -0.446
  303    HG1  THR  45           1HG      THR  45   2.808   4.059  -0.886
  304   1HG2  THR  45          1HG2      THR  45   4.446   6.877  -1.392
  305   2HG2  THR  45          2HG2      THR  45   5.279   6.186  -2.785
  306   3HG2  THR  45          3HG2      THR  45   6.083   6.247  -1.217
  307    H    CYS  46           H        CYS  46   5.267   2.428  -0.291
  308    HA   CYS  46           HA       CYS  46   3.936  -0.003  -1.152
  309   1HB   CYS  46          2HB       CYS  46   5.557   0.651   1.307
  310   2HB   CYS  46          1HB       CYS  46   4.787  -0.906   1.034
  311    H    THR  47           H        THR  47   2.198  -0.932  -0.113
  312    HA   THR  47           HA       THR  47   0.844   0.634   1.959
  313    HB   THR  47           HB       THR  47  -0.919  -0.458  -0.154
  314    HG1  THR  47           1HG      THR  47   0.615   1.891  -0.565
  315   1HG2  THR  47          1HG2      THR  47  -2.150   0.708   1.377
  316   2HG2  THR  47          2HG2      THR  47  -1.840   1.958   0.172
  317   3HG2  THR  47          3HG2      THR  47  -0.884   1.903   1.652
  318    H    THR  48           H        THR  48  -1.300  -0.665   2.545
  319    HA   THR  48           HA       THR  48  -0.373  -3.313   3.299
  320    HB   THR  48           HB       THR  48  -2.873  -1.830   4.096
  321    HG1  THR  48           1HG      THR  48  -1.728  -0.951   5.621
  322   1HG2  THR  48          1HG2      THR  48  -1.707  -3.956   5.785
  323   2HG2  THR  48          2HG2      THR  48  -2.628  -4.449   4.365
  324   3HG2  THR  48          3HG2      THR  48  -3.383  -3.440   5.599
  325    HA   PRO  49           HA       PRO  49  -2.774  -5.238   0.091
  326   1HB   PRO  49          2HB       PRO  49  -2.586  -7.800   0.906
  327   2HB   PRO  49          1HB       PRO  49  -1.214  -6.928   0.212
  328   1HG   PRO  49          2HG       PRO  49  -1.851  -7.471   3.086
  329   2HG   PRO  49          1HG       PRO  49  -0.295  -7.586   2.245
  330   1HD   PRO  49          2HD       PRO  49  -1.005  -5.452   3.781
  331   2HD   PRO  49          1HD       PRO  49   0.092  -5.326   2.392
  332    H    VAL  50           H        VAL  50  -4.907  -5.439  -0.163
  333    HA   VAL  50           HA       VAL  50  -6.539  -6.072   2.203
  334    HB   VAL  50           HB       VAL  50  -6.950  -3.850   1.224
  335   1HG1  VAL  50          1HG1      VAL  50  -8.323  -4.876  -1.152
  336   2HG1  VAL  50          2HG1      VAL  50  -6.567  -5.041  -1.193
  337   3HG1  VAL  50          3HG1      VAL  50  -7.299  -3.454  -0.956
  338   1HG2  VAL  50          1HG2      VAL  50  -9.201  -5.833   0.934
  339   2HG2  VAL  50          2HG2      VAL  50  -9.409  -4.083   0.961
  340   3HG2  VAL  50          3HG2      VAL  50  -8.769  -4.916   2.377
  341    HA   PRO  51           HA       PRO  51  -7.672  -9.860   0.168
  342   1HB   PRO  51          2HB       PRO  51  -9.809 -10.526   1.692
  343   2HB   PRO  51          1HB       PRO  51  -8.145 -10.667   2.271
  344   1HG   PRO  51          2HG       PRO  51 -10.153  -8.504   2.781
  345   2HG   PRO  51          1HG       PRO  51  -9.039  -9.287   3.918
  346   1HD   PRO  51          2HD       PRO  51  -8.545  -6.857   2.820
  347   2HD   PRO  51          1HD       PRO  51  -7.252  -7.995   3.253
  Start of MODEL   15
    1   1H    ASN   1          1HT       ASN   1   5.175 -10.169 -10.430
    2   2H    ASN   1          2HT       ASN   1   4.295 -11.641 -10.374
    3   3H    ASN   1          3HT       ASN   1   4.813 -10.892  -8.919
    4    HA   ASN   1           HA       ASN   1   3.419  -9.000  -9.414
    5   1HB   ASN   1          2HB       ASN   1   2.802 -10.738 -11.792
    6   2HB   ASN   1          1HB       ASN   1   1.630  -9.560 -11.212
    7   1HD2  ASN   1          1HD2      ASN   1   2.784  -7.355 -10.711
    8   2HD2  ASN   1          2HD2      ASN   1   3.761  -6.761 -12.006
    9    H    GLU   2           H        GLU   2   1.395  -8.935  -8.413
   10    HA   GLU   2           HA       GLU   2  -0.262  -9.641  -7.025
   11   1HB   GLU   2          2HB       GLU   2  -0.577 -11.080  -9.297
   12   2HB   GLU   2          1HB       GLU   2  -0.357 -12.380  -8.134
   13   1HG   GLU   2          2HG       GLU   2  -2.361 -12.051  -7.192
   14   2HG   GLU   2          1HG       GLU   2  -2.232 -10.295  -7.290
   15    H    LYS   3           H        LYS   3   0.552  -9.784  -5.018
   16    HA   LYS   3           HA       LYS   3   2.262 -12.024  -4.286
   17   1HB   LYS   3          2HB       LYS   3   2.173  -9.366  -3.509
   18   2HB   LYS   3          1HB       LYS   3   1.496 -10.216  -2.127
   19   1HG   LYS   3          2HG       LYS   3   3.512 -11.704  -2.172
   20   2HG   LYS   3          1HG       LYS   3   4.196 -10.621  -3.386
   21   1HD   LYS   3          2HD       LYS   3   3.160  -9.307  -0.965
   22   2HD   LYS   3          1HD       LYS   3   4.563 -10.348  -0.716
   23   1HE   LYS   3          2HE       LYS   3   5.001  -8.792  -3.059
   24   2HE   LYS   3          1HE       LYS   3   4.475  -7.713  -1.768
   25   1HZ   LYS   3          1HZ       LYS   3   6.655  -7.766  -1.265
   26   2HZ   LYS   3          2HZ       LYS   3   6.922  -9.261  -2.008
   27   3HZ   LYS   3          3HZ       LYS   3   6.242  -9.196  -0.460
   28    H    SER   4           H        SER   4  -0.661 -10.497  -2.915
   29    HA   SER   4           HA       SER   4  -1.787 -13.126  -2.398
   30   1HB   SER   4          2HB       SER   4  -0.336 -12.095  -0.385
   31   2HB   SER   4          1HB       SER   4  -1.874 -11.299  -0.056
   32    HG   SER   4           HG       SER   4  -1.398 -14.087  -0.277
   33    H    GLY   5           H        GLY   5  -2.297  -9.702  -1.508
   34   1HA   GLY   5          2HA       GLY   5  -5.109 -10.011  -2.328
   35   2HA   GLY   5          1HA       GLY   5  -4.517  -8.818  -1.184
   36    H    SER   6           H        SER   6  -4.990  -6.920  -2.083
   37    HA   SER   6           HA       SER   6  -3.672  -6.222  -4.569
   38   1HB   SER   6          2HB       SER   6  -6.454  -5.272  -4.535
   39   2HB   SER   6          1HB       SER   6  -5.501  -5.924  -5.866
   40    HG   SER   6           HG       SER   6  -7.297  -7.169  -4.241
   41    H    CYS   7           H        CYS   7  -4.914  -3.765  -4.967
   42    HA   CYS   7           HA       CYS   7  -3.660  -2.206  -2.913
   43   1HB   CYS   7          2HB       CYS   7  -3.509  -1.465  -5.214
   44   2HB   CYS   7          1HB       CYS   7  -5.262  -1.413  -5.352
   45    HA   PRO   8           HA       PRO   8  -7.360  -1.634  -0.511
   46   1HB   PRO   8          2HB       PRO   8  -6.427   0.109   1.291
   47   2HB   PRO   8          1HB       PRO   8  -5.855  -1.563   1.249
   48   1HG   PRO   8          2HG       PRO   8  -4.541   0.918   0.232
   49   2HG   PRO   8          1HG       PRO   8  -3.821  -0.476   1.054
   50   1HD   PRO   8          2HD       PRO   8  -3.797  -0.055  -1.685
   51   2HD   PRO   8          1HD       PRO   8  -3.562  -1.624  -0.897
   52    H    ASP   9           H        ASP   9  -9.007  -0.117  -0.133
   53    HA   ASP   9           HA       ASP   9  -8.803   2.321  -1.770
   54   1HB   ASP   9          2HB       ASP   9 -10.628   0.344  -2.021
   55   2HB   ASP   9          1HB       ASP   9 -11.468   1.388  -0.878
   56    H    MET  10           H        MET  10 -10.689   1.227   1.057
   57    HA   MET  10           HA       MET  10 -10.156   3.849   2.294
   58   1HB   MET  10          2HB       MET  10 -12.644   2.182   2.201
   59   2HB   MET  10          1HB       MET  10 -12.369   3.263   3.561
   60   1HG   MET  10          2HG       MET  10 -12.174   4.268   0.753
   61   2HG   MET  10          1HG       MET  10 -13.739   4.094   1.543
   62   1HE   MET  10          1HE       MET  10 -14.743   5.867   1.902
   63   2HE   MET  10          2HE       MET  10 -14.150   7.481   2.295
   64   3HE   MET  10          3HE       MET  10 -14.514   6.336   3.587
   65    H    SER  11           H        SER  11  -9.169   3.834   4.208
   66    HA   SER  11           HA       SER  11  -9.525   2.254   6.359
   67   1HB   SER  11          2HB       SER  11  -8.921   0.223   5.359
   68   2HB   SER  11          1HB       SER  11  -7.633   0.966   4.412
   69    HG   SER  11           HG       SER  11  -7.624   0.063   7.034
   70    H    MET  12           H        MET  12  -7.513   2.179   7.846
   71    HA   MET  12           HA       MET  12  -5.894   3.325   8.960
   72   1HB   MET  12          2HB       MET  12  -4.836   2.956   6.558
   73   2HB   MET  12          1HB       MET  12  -4.994   4.704   6.473
   74   1HG   MET  12          2HG       MET  12  -2.964   4.701   7.402
   75   2HG   MET  12          1HG       MET  12  -3.846   4.423   8.903
   76   1HE   MET  12          1HE       MET  12  -2.120   3.444  10.223
   77   2HE   MET  12          2HE       MET  12  -0.797   3.486   9.056
   78   3HE   MET  12          3HE       MET  12  -1.188   1.983   9.891
   79    HA   PRO  13           HA       PRO  13  -8.494   7.116   9.054
   80   1HB   PRO  13          2HB       PRO  13  -8.719   7.204  11.751
   81   2HB   PRO  13          1HB       PRO  13  -9.764   6.199  10.739
   82   1HG   PRO  13          2HG       PRO  13  -7.338   5.424  12.313
   83   2HG   PRO  13          1HG       PRO  13  -8.889   4.578  12.158
   84   1HD   PRO  13          2HD       PRO  13  -6.678   3.862  10.758
   85   2HD   PRO  13          1HD       PRO  13  -8.324   3.653  10.127
   86    H    ILE  14           H        ILE  14  -5.463   6.233  10.438
   87    HA   ILE  14           HA       ILE  14  -4.811   8.741  11.615
   88    HB   ILE  14           HB       ILE  14  -2.864   6.663  10.622
   89   1HG1  ILE  14          2HG1      ILE  14  -3.084   6.200  13.293
   90   2HG1  ILE  14          1HG1      ILE  14  -4.743   6.640  12.900
   91   1HG2  ILE  14          1HG2      ILE  14  -2.646   8.713  12.821
   92   2HG2  ILE  14          2HG2      ILE  14  -1.898   8.831  11.228
   93   3HG2  ILE  14          3HG2      ILE  14  -1.400   7.560  12.345
   94   1HD1  ILE  14          1HD1      ILE  14  -3.686   4.145  12.697
   95   2HD1  ILE  14          2HD1      ILE  14  -3.550   4.732  11.040
   96   3HD1  ILE  14          3HD1      ILE  14  -5.120   4.713  11.842
   97    HA   PRO  15           HA       PRO  15  -3.820  10.927   7.868
   98   1HB   PRO  15          2HB       PRO  15  -2.598  13.072   8.948
   99   2HB   PRO  15          1HB       PRO  15  -4.344  12.823   9.070
  100   1HG   PRO  15          2HG       PRO  15  -2.206  12.268  11.091
  101   2HG   PRO  15          1HG       PRO  15  -3.797  13.015  11.324
  102   1HD   PRO  15          2HD       PRO  15  -3.283  10.405  11.897
  103   2HD   PRO  15          1HD       PRO  15  -4.879  10.988  11.384
  104    HA   PRO  16           HA       PRO  16   0.491   9.544   7.576
  105   1HB   PRO  16          2HB       PRO  16   0.437   8.775   5.027
  106   2HB   PRO  16          1HB       PRO  16  -0.376   7.824   6.276
  107   1HG   PRO  16          2HG       PRO  16  -1.536   9.718   4.280
  108   2HG   PRO  16          1HG       PRO  16  -2.175   8.172   4.862
  109   1HD   PRO  16          2HD       PRO  16  -2.952  10.692   5.767
  110   2HD   PRO  16          1HD       PRO  16  -3.231   9.160   6.616
  111    H    LEU  17           H        LEU  17  -0.066  12.306   7.556
  112    HA   LEU  17           HA       LEU  17   0.448  13.765   5.297
  113   1HB   LEU  17          2HB       LEU  17  -0.026  14.580   7.665
  114   2HB   LEU  17          1HB       LEU  17   1.697  14.426   7.954
  115    HG   LEU  17           HG       LEU  17   1.778  15.946   5.745
  116   1HD1  LEU  17          1HD1      LEU  17  -0.891  15.877   6.082
  117   2HD1  LEU  17          2HD1      LEU  17  -0.029  17.231   5.349
  118   3HD1  LEU  17          3HD1      LEU  17  -0.491  17.297   7.050
  119   1HD2  LEU  17          1HD2      LEU  17   1.601  16.612   8.644
  120   2HD2  LEU  17          2HD2      LEU  17   1.674  17.922   7.465
  121   3HD2  LEU  17          3HD2      LEU  17   2.972  16.730   7.541
  122    H    GLY  18           H        GLY  18   1.935  13.192   3.821
  123   1HA   GLY  18          2HA       GLY  18   4.247  13.677   3.192
  124   2HA   GLY  18          1HA       GLY  18   4.734  13.014   4.740
  125    H    ILE  19           H        ILE  19   3.556  12.269   1.552
  126    HA   ILE  19           HA       ILE  19   4.681   9.575   1.809
  127    HB   ILE  19           HB       ILE  19   2.127   9.901   0.285
  128   1HG1  ILE  19          2HG1      ILE  19   1.170   8.836   2.547
  129   2HG1  ILE  19          1HG1      ILE  19   2.437   9.837   3.245
  130   1HG2  ILE  19          1HG2      ILE  19   3.668   7.878   0.180
  131   2HG2  ILE  19          2HG2      ILE  19   1.960   7.571   0.497
  132   3HG2  ILE  19          3HG2      ILE  19   3.126   7.523   1.820
  133   1HD1  ILE  19          1HD1      ILE  19   0.104  10.832   3.048
  134   2HD1  ILE  19          2HD1      ILE  19   0.435  10.955   1.320
  135   3HD1  ILE  19          3HD1      ILE  19   1.456  11.809   2.476
  136    H    CYS  20           H        CYS  20   5.558  12.073   0.518
  137    HA   CYS  20           HA       CYS  20   5.220  11.652  -2.315
  138   1HB   CYS  20          2HB       CYS  20   5.889  13.833  -0.713
  139   2HB   CYS  20          1HB       CYS  20   7.370  13.471  -1.595
  140    H    LYS  21           H        LYS  21   7.410  11.886  -3.620
  141    HA   LYS  21           HA       LYS  21   9.321  10.887  -4.342
  142   1HB   LYS  21          2HB       LYS  21   9.969  11.664  -1.890
  143   2HB   LYS  21          1HB       LYS  21  10.022   9.929  -1.605
  144   1HG   LYS  21          2HG       LYS  21  12.217  10.555  -2.148
  145   2HG   LYS  21          1HG       LYS  21  11.573   9.785  -3.600
  146   1HD   LYS  21          2HD       LYS  21  11.022  12.065  -4.466
  147   2HD   LYS  21          1HD       LYS  21  11.878  12.739  -3.077
  148   1HE   LYS  21          2HE       LYS  21  13.654  12.708  -4.453
  149   2HE   LYS  21          1HE       LYS  21  13.725  10.998  -4.027
  150   1HZ   LYS  21          1HZ       LYS  21  12.875  12.261  -6.515
  151   2HZ   LYS  21          2HZ       LYS  21  12.032  10.874  -6.039
  152   3HZ   LYS  21          3HZ       LYS  21  13.706  10.808  -6.266
  153    H    THR  22           H        THR  22   9.220   9.076  -5.477
  154    HA   THR  22           HA       THR  22   7.602   6.889  -4.875
  155    HB   THR  22           HB       THR  22   8.282   7.282  -7.141
  156    HG1  THR  22           1HG      THR  22   8.046   5.192  -7.180
  157   1HG2  THR  22          1HG2      THR  22  10.438   8.286  -6.877
  158   2HG2  THR  22          2HG2      THR  22  10.592   6.859  -7.902
  159   3HG2  THR  22          3HG2      THR  22  11.100   6.792  -6.214
  160    H    LEU  23           H        LEU  23   8.656   4.547  -4.909
  161    HA   LEU  23           HA       LEU  23  11.013   4.306  -3.278
  162   1HB   LEU  23          2HB       LEU  23   8.483   4.450  -2.041
  163   2HB   LEU  23          1HB       LEU  23   9.068   2.809  -1.880
  164    HG   LEU  23           HG       LEU  23  11.277   4.308  -1.196
  165   1HD1  LEU  23          1HD1      LEU  23  10.086   5.730   0.682
  166   2HD1  LEU  23          2HD1      LEU  23   8.792   5.787  -0.516
  167   3HD1  LEU  23          3HD1      LEU  23  10.398   6.394  -0.922
  168   1HD2  LEU  23          1HD2      LEU  23   9.219   2.731   0.222
  169   2HD2  LEU  23          2HD2      LEU  23  10.255   3.755   1.217
  170   3HD2  LEU  23          3HD2      LEU  23  10.970   2.529   0.169
  171    H    CYS  24           H        CYS  24   8.133   2.605  -4.478
  172    HA   CYS  24           HA       CYS  24   9.882   0.321  -5.122
  173   1HB   CYS  24          2HB       CYS  24   8.022  -1.157  -4.818
  174   2HB   CYS  24          1HB       CYS  24   8.106  -0.115  -3.402
  175    H    ASN  25           H        ASN  25   8.836  -1.080  -6.913
  176    HA   ASN  25           HA       ASN  25   7.857   0.686  -9.057
  177   1HB   ASN  25          2HB       ASN  25  10.095  -1.277  -9.047
  178   2HB   ASN  25          1HB       ASN  25   9.136  -1.134 -10.517
  179   1HD2  ASN  25          1HD2      ASN  25  11.942  -0.395  -9.837
  180   2HD2  ASN  25          2HD2      ASN  25  12.088   1.263 -10.303
  181    H    SER  26           H        SER  26   7.131  -1.927  -7.138
  182    HA   SER  26           HA       SER  26   4.740  -2.547  -8.314
  183   1HB   SER  26          2HB       SER  26   5.727  -3.470 -10.248
  184   2HB   SER  26          1HB       SER  26   6.996  -4.269  -9.321
  185    HG   SER  26           HG       SER  26   4.333  -5.017  -9.725
  186    H    ASP  27           H        ASP  27   3.877  -4.751  -7.564
  187    HA   ASP  27           HA       ASP  27   3.853  -4.945  -4.859
  188   1HB   ASP  27          2HB       ASP  27   2.436  -6.194  -6.602
  189   2HB   ASP  27          1HB       ASP  27   3.691  -7.422  -6.529
  190    H    SER  28           H        SER  28   5.789  -7.115  -6.929
  191    HA   SER  28           HA       SER  28   7.200  -8.347  -4.855
  192   1HB   SER  28          2HB       SER  28   7.083  -8.722  -7.532
  193   2HB   SER  28          1HB       SER  28   8.661  -7.946  -7.401
  194    HG   SER  28           HG       SER  28   9.086  -9.567  -5.716
  195    H    GLY  29           H        GLY  29   7.509  -5.206  -6.219
  196   1HA   GLY  29          2HA       GLY  29  10.222  -4.693  -5.627
  197   2HA   GLY  29          1HA       GLY  29   8.980  -3.482  -5.862
  198    H    CYS  30           H        CYS  30   7.306  -3.705  -3.893
  199    HA   CYS  30           HA       CYS  30   8.660  -2.638  -1.672
  200   1HB   CYS  30          2HB       CYS  30   5.867  -3.460  -2.217
  201   2HB   CYS  30          1HB       CYS  30   6.330  -3.242  -0.535
  202    HA   PRO  31           HA       PRO  31   9.847  -6.190   0.520
  203   1HB   PRO  31          2HB       PRO  31  10.327  -5.168   2.950
  204   2HB   PRO  31          1HB       PRO  31  11.311  -4.736   1.546
  205   1HG   PRO  31          2HG       PRO  31   9.097  -3.210   2.850
  206   2HG   PRO  31          1HG       PRO  31  10.636  -2.617   2.202
  207   1HD   PRO  31          2HD       PRO  31   8.220  -2.490   0.873
  208   2HD   PRO  31          1HD       PRO  31   9.807  -2.455   0.081
  209    H    ASN  32           H        ASN  32   9.521  -7.082   2.934
  210    HA   ASN  32           HA       ASN  32   8.156  -8.346   4.220
  211   1HB   ASN  32          2HB       ASN  32   6.675  -5.715   4.197
  212   2HB   ASN  32          1HB       ASN  32   6.235  -7.060   5.244
  213   1HD2  ASN  32          1HD2      ASN  32   8.940  -4.967   4.367
  214   2HD2  ASN  32          2HD2      ASN  32   9.673  -4.961   5.931
  215    H    VAL  33           H        VAL  33   5.246  -6.729   3.276
  216    HA   VAL  33           HA       VAL  33   4.583  -8.631   1.213
  217    HB   VAL  33           HB       VAL  33   2.423  -9.154   2.481
  218   1HG1  VAL  33          1HG1      VAL  33   3.417 -11.138   3.502
  219   2HG1  VAL  33          2HG1      VAL  33   5.015 -10.402   3.366
  220   3HG1  VAL  33          3HG1      VAL  33   4.108 -10.819   1.911
  221   1HG2  VAL  33          1HG2      VAL  33   3.389  -7.486   4.356
  222   2HG2  VAL  33          2HG2      VAL  33   3.949  -9.032   4.993
  223   3HG2  VAL  33          3HG2      VAL  33   2.231  -8.772   4.696
  224    H    GLN  34           H        GLN  34   4.822  -5.664   1.804
  225    HA   GLN  34           HA       GLN  34   2.127  -4.688   1.541
  226   1HB   GLN  34          2HB       GLN  34   4.824  -3.433   1.723
  227   2HB   GLN  34          1HB       GLN  34   3.431  -2.485   1.218
  228   1HG   GLN  34          2HG       GLN  34   2.380  -3.654   3.359
  229   2HG   GLN  34          1HG       GLN  34   4.069  -3.658   3.839
  230   1HE2  GLN  34          1HE2      GLN  34   5.127  -1.422   3.166
  231   2HE2  GLN  34          2HE2      GLN  34   4.265  -0.049   3.751
  232    H    LYS  35           H        LYS  35   1.180  -3.801  -0.270
  233    HA   LYS  35           HA       LYS  35   2.328  -4.599  -2.804
  234   1HB   LYS  35          2HB       LYS  35  -0.335  -3.985  -1.739
  235   2HB   LYS  35          1HB       LYS  35  -0.062  -3.384  -3.362
  236   1HG   LYS  35          2HG       LYS  35  -1.083  -5.602  -3.360
  237   2HG   LYS  35          1HG       LYS  35   0.507  -5.613  -4.124
  238   1HD   LYS  35          2HD       LYS  35   1.342  -7.024  -2.600
  239   2HD   LYS  35          1HD       LYS  35   0.622  -6.131  -1.259
  240   1HE   LYS  35          2HE       LYS  35  -1.588  -7.195  -1.998
  241   2HE   LYS  35          1HE       LYS  35  -0.590  -8.298  -2.942
  242   1HZ   LYS  35          1HZ       LYS  35  -1.263  -8.562  -0.298
  243   2HZ   LYS  35          2HZ       LYS  35   0.354  -8.070  -0.264
  244   3HZ   LYS  35          3HZ       LYS  35  -0.091  -9.453  -1.130
  245    H    CYS  36           H        CYS  36   1.781  -2.936  -4.661
  246    HA   CYS  36           HA       CYS  36   2.775  -0.310  -3.771
  247   1HB   CYS  36          2HB       CYS  36   3.363  -1.858  -6.291
  248   2HB   CYS  36          1HB       CYS  36   3.714  -0.141  -6.132
  249    H    CYS  37           H        CYS  37   1.315   1.244  -3.944
  250    HA   CYS  37           HA       CYS  37  -0.445   1.265  -6.290
  251   1HB   CYS  37          2HB       CYS  37  -1.439   0.458  -3.934
  252   2HB   CYS  37          1HB       CYS  37  -1.630   2.193  -3.732
  253    H    LYS  38           H        LYS  38  -1.799   3.501  -6.027
  254    HA   LYS  38           HA       LYS  38   0.282   5.548  -6.025
  255   1HB   LYS  38          2HB       LYS  38  -1.995   5.016  -7.639
  256   2HB   LYS  38          1HB       LYS  38  -2.258   6.569  -6.859
  257   1HG   LYS  38          2HG       LYS  38  -0.571   7.580  -7.982
  258   2HG   LYS  38          1HG       LYS  38   0.400   6.109  -8.073
  259   1HD   LYS  38          2HD       LYS  38  -1.529   5.308  -9.660
  260   2HD   LYS  38          1HD       LYS  38  -1.818   7.040  -9.841
  261   1HE   LYS  38          2HE       LYS  38   0.952   5.971 -10.138
  262   2HE   LYS  38          1HE       LYS  38  -0.194   5.784 -11.465
  263   1HZ   LYS  38          1HZ       LYS  38  -0.527   8.356 -10.884
  264   2HZ   LYS  38          2HZ       LYS  38   0.590   7.800 -12.025
  265   3HZ   LYS  38          3HZ       LYS  38   1.101   8.179 -10.458
  266    H    ASN  39           H        ASN  39  -0.464   4.681  -3.487
  267    HA   ASN  39           HA       ASN  39  -2.325   6.650  -2.424
  268   1HB   ASN  39          2HB       ASN  39  -1.054   4.160  -1.418
  269   2HB   ASN  39          1HB       ASN  39  -1.442   5.393  -0.221
  270   1HD2  ASN  39          1HD2      ASN  39  -2.570   2.706  -1.654
  271   2HD2  ASN  39          2HD2      ASN  39  -4.271   2.958  -1.483
  272    H    GLY  40           H        GLY  40  -0.395   8.100  -3.438
  273   1HA   GLY  40          2HA       GLY  40   0.803   9.341  -1.136
  274   2HA   GLY  40          1HA       GLY  40   1.982   8.572  -2.188
  275    H    CYS  41           H        CYS  41   2.930   9.969  -3.502
  276    HA   CYS  41           HA       CYS  41   1.514  12.405  -4.277
  277   1HB   CYS  41          2HB       CYS  41   4.359  11.591  -4.048
  278   2HB   CYS  41          1HB       CYS  41   3.969  12.764  -5.296
  279    H    GLY  42           H        GLY  42   0.981   9.710  -5.460
  280   1HA   GLY  42          2HA       GLY  42   0.111   9.393  -7.655
  281   2HA   GLY  42          1HA       GLY  42   1.299  10.537  -8.259
  282    H    PHE  43           H        PHE  43   3.383   9.129  -6.560
  283    HA   PHE  43           HA       PHE  43   4.245   7.313  -8.601
  284   1HB   PHE  43          2HB       PHE  43   5.485   7.664  -5.872
  285   2HB   PHE  43          1HB       PHE  43   6.266   7.111  -7.350
  286    HD1  PHE  43           1HD      PHE  43   5.832   9.832  -5.214
  287    HD2  PHE  43           2HD      PHE  43   6.150   8.855  -9.344
  288    HE1  PHE  43           1HE      PHE  43   6.527  12.140  -5.702
  289    HE2  PHE  43           2HE      PHE  43   6.846  11.163  -9.840
  290    HZ   PHE  43           HZ       PHE  43   7.036  12.809  -8.017
  291    H    MET  44           H        MET  44   5.480   5.272  -7.246
  292    HA   MET  44           HA       MET  44   3.174   3.743  -6.248
  293   1HB   MET  44          2HB       MET  44   5.336   3.129  -8.101
  294   2HB   MET  44          1HB       MET  44   5.186   1.917  -6.835
  295   1HG   MET  44          2HG       MET  44   3.665   1.001  -8.179
  296   2HG   MET  44          1HG       MET  44   2.591   2.253  -7.557
  297   1HE   MET  44          1HE       MET  44   2.769   0.443 -10.220
  298   2HE   MET  44          2HE       MET  44   2.491   1.460 -11.632
  299   3HE   MET  44          3HE       MET  44   1.339   1.472 -10.297
  300    H    THR  45           H        THR  45   3.145   3.605  -4.108
  301    HA   THR  45           HA       THR  45   5.691   3.121  -2.704
  302    HB   THR  45           HB       THR  45   4.487   4.233  -0.719
  303    HG1  THR  45           1HG      THR  45   2.781   5.500  -1.174
  304   1HG2  THR  45          1HG2      THR  45   6.130   5.304  -2.654
  305   2HG2  THR  45          2HG2      THR  45   5.698   6.045  -1.113
  306   3HG2  THR  45          3HG2      THR  45   4.781   6.438  -2.568
  307    H    CYS  46           H        CYS  46   5.343   2.060  -0.528
  308    HA   CYS  46           HA       CYS  46   3.867  -0.340  -0.918
  309   1HB   CYS  46          2HB       CYS  46   5.195   0.645   1.608
  310   2HB   CYS  46          1HB       CYS  46   4.703  -1.006   1.259
  311    H    THR  47           H        THR  47   1.981  -0.982  -0.094
  312    HA   THR  47           HA       THR  47   0.583   0.721   1.828
  313    HB   THR  47           HB       THR  47  -0.143   1.428  -0.416
  314    HG1  THR  47           1HG      THR  47  -2.382   1.114  -0.041
  315   1HG2  THR  47          1HG2      THR  47  -1.740  -0.906  -1.017
  316   2HG2  THR  47          2HG2      THR  47  -0.009  -1.232  -1.110
  317   3HG2  THR  47          3HG2      THR  47  -0.714   0.070  -2.069
  318    H    THR  48           H        THR  48  -1.316  -0.340   2.785
  319    HA   THR  48           HA       THR  48  -0.711  -2.989   3.578
  320    HB   THR  48           HB       THR  48  -3.285  -1.474   3.963
  321    HG1  THR  48           1HG      THR  48  -1.858  -0.212   4.940
  322   1HG2  THR  48          1HG2      THR  48  -2.732  -4.083   4.642
  323   2HG2  THR  48          2HG2      THR  48  -3.992  -3.062   5.334
  324   3HG2  THR  48          3HG2      THR  48  -2.421  -3.183   6.126
  325    HA   PRO  49           HA       PRO  49  -2.738  -5.083   0.196
  326   1HB   PRO  49          2HB       PRO  49  -2.515  -7.607   1.133
  327   2HB   PRO  49          1HB       PRO  49  -1.138  -6.717   0.471
  328   1HG   PRO  49          2HG       PRO  49  -1.915  -7.150   3.331
  329   2HG   PRO  49          1HG       PRO  49  -0.312  -7.255   2.580
  330   1HD   PRO  49          2HD       PRO  49  -1.142  -5.079   3.972
  331   2HD   PRO  49          1HD       PRO  49  -0.012  -4.973   2.608
  332    H    VAL  50           H        VAL  50  -4.840  -5.376  -0.190
  333    HA   VAL  50           HA       VAL  50  -6.600  -5.999   2.084
  334    HB   VAL  50           HB       VAL  50  -7.024  -3.822   1.011
  335   1HG1  VAL  50          1HG1      VAL  50  -6.441  -5.061  -1.335
  336   2HG1  VAL  50          2HG1      VAL  50  -7.261  -3.506  -1.198
  337   3HG1  VAL  50          3HG1      VAL  50  -8.201  -4.982  -1.412
  338   1HG2  VAL  50          1HG2      VAL  50  -9.180  -5.900   0.651
  339   2HG2  VAL  50          2HG2      VAL  50  -9.454  -4.158   0.597
  340   3HG2  VAL  50          3HG2      VAL  50  -8.876  -4.915   2.082
  341    HA   PRO  51           HA       PRO  51  -7.454  -9.896   0.122
  342   1HB   PRO  51          2HB       PRO  51  -9.707 -10.556   1.483
  343   2HB   PRO  51          1HB       PRO  51  -8.093 -10.651   2.197
  344   1HG   PRO  51          2HG       PRO  51 -10.164  -8.506   2.476
  345   2HG   PRO  51          1HG       PRO  51  -9.135  -9.235   3.722
  346   1HD   PRO  51          2HD       PRO  51  -8.580  -6.835   2.605
  347   2HD   PRO  51          1HD       PRO  51  -7.309  -7.948   3.147
  Start of MODEL   16
    1   1H    ASN   1          1HT       ASN   1   3.706 -10.354 -10.397
    2   2H    ASN   1          2HT       ASN   1   3.938  -9.050  -9.304
    3   3H    ASN   1          3HT       ASN   1   4.145  -8.807 -10.991
    4    HA   ASN   1           HA       ASN   1   2.051  -7.962 -10.010
    5   1HB   ASN   1          2HB       ASN   1   2.570  -9.530 -12.412
    6   2HB   ASN   1          1HB       ASN   1   0.866  -9.553 -11.965
    7   1HD2  ASN   1          1HD2      ASN   1  -0.252  -8.059 -12.960
    8   2HD2  ASN   1          2HD2      ASN   1   0.296  -6.475 -13.379
    9    H    GLU   2           H        GLU   2   0.430  -8.373  -8.655
   10    HA   GLU   2           HA       GLU   2  -1.027  -9.465  -7.295
   11   1HB   GLU   2          2HB       GLU   2  -1.399 -10.550  -9.758
   12   2HB   GLU   2          1HB       GLU   2  -0.992 -11.986  -8.830
   13   1HG   GLU   2          2HG       GLU   2  -2.801 -11.574  -7.302
   14   2HG   GLU   2          1HG       GLU   2  -3.158 -10.035  -8.087
   15    H    LYS   3           H        LYS   3   0.160  -9.745  -5.462
   16    HA   LYS   3           HA       LYS   3   1.937 -12.054  -5.257
   17   1HB   LYS   3          2HB       LYS   3   2.201  -9.517  -4.317
   18   2HB   LYS   3          1HB       LYS   3   1.548 -10.323  -2.898
   19   1HG   LYS   3          2HG       LYS   3   3.371 -12.033  -3.159
   20   2HG   LYS   3          1HG       LYS   3   4.076 -10.977  -4.384
   21   1HD   LYS   3          2HD       LYS   3   3.373  -9.729  -1.793
   22   2HD   LYS   3          1HD       LYS   3   4.734 -10.853  -1.789
   23   1HE   LYS   3          2HE       LYS   3   5.204  -9.329  -4.027
   24   2HE   LYS   3          1HE       LYS   3   4.527  -8.161  -2.893
   25   1HZ   LYS   3          1HZ       LYS   3   7.020  -8.489  -2.847
   26   2HZ   LYS   3          2HZ       LYS   3   6.722  -9.992  -2.131
   27   3HZ   LYS   3          3HZ       LYS   3   6.224  -8.574  -1.356
   28    H    SER   4           H        SER   4  -0.419 -10.593  -3.015
   29    HA   SER   4           HA       SER   4  -1.536 -13.270  -2.548
   30   1HB   SER   4          2HB       SER   4   0.153 -12.220  -0.749
   31   2HB   SER   4          1HB       SER   4  -1.337 -11.448  -0.206
   32    HG   SER   4           HG       SER   4  -2.238 -13.442   0.131
   33    H    GLY   5           H        GLY   5  -1.989  -9.830  -1.708
   34   1HA   GLY   5          2HA       GLY   5  -4.892 -10.233  -2.009
   35   2HA   GLY   5          1HA       GLY   5  -4.143  -8.962  -1.056
   36    H    SER   6           H        SER   6  -4.802  -7.128  -1.972
   37    HA   SER   6           HA       SER   6  -3.950  -6.572  -4.683
   38   1HB   SER   6          2HB       SER   6  -6.516  -5.461  -4.644
   39   2HB   SER   6          1HB       SER   6  -5.990  -6.859  -5.581
   40    HG   SER   6           HG       SER   6  -7.692  -7.556  -4.388
   41    H    CYS   7           H        CYS   7  -5.085  -4.165  -5.081
   42    HA   CYS   7           HA       CYS   7  -3.708  -2.525  -3.143
   43   1HB   CYS   7          2HB       CYS   7  -3.454  -2.023  -5.517
   44   2HB   CYS   7          1HB       CYS   7  -5.191  -1.792  -5.675
   45    HA   PRO   8           HA       PRO   8  -7.398  -1.618  -0.831
   46   1HB   PRO   8          2HB       PRO   8  -6.456   0.421   0.667
   47   2HB   PRO   8          1HB       PRO   8  -5.975  -1.257   0.945
   48   1HG   PRO   8          2HG       PRO   8  -4.516   0.917  -0.509
   49   2HG   PRO   8          1HG       PRO   8  -3.887  -0.279   0.640
   50   1HD   PRO   8          2HD       PRO   8  -3.641  -0.535  -2.059
   51   2HD   PRO   8          1HD       PRO   8  -3.747  -1.924  -0.958
   52    H    ASP   9           H        ASP   9  -8.457   0.626  -0.046
   53    HA   ASP   9           HA       ASP   9  -8.726   2.269  -2.477
   54   1HB   ASP   9          2HB       ASP   9 -10.711   1.181  -0.557
   55   2HB   ASP   9          1HB       ASP   9 -11.010   2.809  -1.161
   56    H    MET  10           H        MET  10  -9.112   2.466   1.065
   57    HA   MET  10           HA       MET  10  -8.592   5.333   0.959
   58   1HB   MET  10          2HB       MET  10  -9.511   3.464   3.132
   59   2HB   MET  10          1HB       MET  10  -9.002   5.108   3.489
   60   1HG   MET  10          2HG       MET  10 -10.739   5.621   1.528
   61   2HG   MET  10          1HG       MET  10 -11.436   4.122   2.142
   62   1HE   MET  10          1HE       MET  10 -13.951   5.850   3.806
   63   2HE   MET  10          2HE       MET  10 -13.339   5.586   2.173
   64   3HE   MET  10          3HE       MET  10 -13.340   7.210   2.864
   65    H    SER  11           H        SER  11  -6.663   6.193   1.339
   66    HA   SER  11           HA       SER  11  -4.863   5.642   3.267
   67   1HB   SER  11          2HB       SER  11  -4.368   3.449   2.601
   68   2HB   SER  11          1HB       SER  11  -4.446   3.855   0.887
   69    HG   SER  11           HG       SER  11  -2.340   3.990   2.624
   70    H    MET  12           H        MET  12  -4.012   7.609   3.306
   71    HA   MET  12           HA       MET  12  -2.635   8.596   0.930
   72   1HB   MET  12          2HB       MET  12  -4.925   9.957   2.302
   73   2HB   MET  12          1HB       MET  12  -3.662  10.920   1.547
   74   1HG   MET  12          2HG       MET  12  -4.488  10.576  -0.479
   75   2HG   MET  12          1HG       MET  12  -4.582   8.835  -0.221
   76   1HE   MET  12          1HE       MET  12  -7.389  12.114  -0.232
   77   2HE   MET  12          2HE       MET  12  -5.884  12.136   0.686
   78   3HE   MET  12          3HE       MET  12  -7.412  11.811   1.504
   79    HA   PRO  13           HA       PRO  13   0.048   8.905   4.675
   80   1HB   PRO  13          2HB       PRO  13   1.944   9.339   2.416
   81   2HB   PRO  13          1HB       PRO  13   2.124   8.333   3.857
   82   1HG   PRO  13          2HG       PRO  13   1.598   7.229   1.494
   83   2HG   PRO  13          1HG       PRO  13   0.843   6.611   2.975
   84   1HD   PRO  13          2HD       PRO  13  -0.330   8.293   0.808
   85   2HD   PRO  13          1HD       PRO  13  -1.086   7.015   1.781
   86    H    ILE  14           H        ILE  14   1.792  10.628   5.125
   87    HA   ILE  14           HA       ILE  14   1.087  13.195   3.884
   88    HB   ILE  14           HB       ILE  14   1.438  12.857   6.862
   89   1HG1  ILE  14          2HG1      ILE  14  -1.169  13.625   6.475
   90   2HG1  ILE  14          1HG1      ILE  14  -0.920  12.505   5.140
   91   1HG2  ILE  14          1HG2      ILE  14   0.183  15.190   5.470
   92   2HG2  ILE  14          2HG2      ILE  14   1.936  15.069   5.621
   93   3HG2  ILE  14          3HG2      ILE  14   0.927  15.109   7.067
   94   1HD1  ILE  14          1HD1      ILE  14   0.123  11.048   7.116
   95   2HD1  ILE  14          2HD1      ILE  14  -1.588  11.017   6.690
   96   3HD1  ILE  14          3HD1      ILE  14  -1.033  12.005   8.041
   97    HA   PRO  15           HA       PRO  15   5.695  12.578   4.214
   98   1HB   PRO  15          2HB       PRO  15   6.264  13.197   1.645
   99   2HB   PRO  15          1HB       PRO  15   5.795  11.568   2.148
  100   1HG   PRO  15          2HG       PRO  15   4.130  13.715   0.887
  101   2HG   PRO  15          1HG       PRO  15   4.180  11.979   0.525
  102   1HD   PRO  15          2HD       PRO  15   2.247  13.108   2.061
  103   2HD   PRO  15          1HD       PRO  15   2.814  11.442   2.298
  104    HA   PRO  16           HA       PRO  16   5.758  17.092   4.588
  105   1HB   PRO  16          2HB       PRO  16   7.557  17.246   6.555
  106   2HB   PRO  16          1HB       PRO  16   5.907  16.686   6.866
  107   1HG   PRO  16          2HG       PRO  16   8.421  15.097   6.545
  108   2HG   PRO  16          1HG       PRO  16   7.092  14.873   7.697
  109   1HD   PRO  16          2HD       PRO  16   7.404  13.444   5.349
  110   2HD   PRO  16          1HD       PRO  16   5.868  13.647   6.213
  111    H    LEU  17           H        LEU  17   7.162  15.863   2.435
  112    HA   LEU  17           HA       LEU  17   9.765  17.216   2.568
  113   1HB   LEU  17          2HB       LEU  17   9.705  14.695   2.225
  114   2HB   LEU  17          1HB       LEU  17   9.019  15.025   0.646
  115    HG   LEU  17           HG       LEU  17  11.144  16.529   0.347
  116   1HD1  LEU  17          1HD1      LEU  17  13.012  15.057   1.573
  117   2HD1  LEU  17          2HD1      LEU  17  11.728  14.958   2.779
  118   3HD1  LEU  17          3HD1      LEU  17  12.337  16.532   2.267
  119   1HD2  LEU  17          1HD2      LEU  17  11.039  14.837  -1.172
  120   2HD2  LEU  17          2HD2      LEU  17  10.776  13.600   0.057
  121   3HD2  LEU  17          3HD2      LEU  17  12.394  14.253  -0.205
  122    H    GLY  18           H        GLY  18   7.479  16.166   0.036
  123   1HA   GLY  18          2HA       GLY  18   7.486  18.911  -1.012
  124   2HA   GLY  18          1HA       GLY  18   7.929  17.593  -2.086
  125    H    ILE  19           H        ILE  19   6.333  16.983  -3.374
  126    HA   ILE  19           HA       ILE  19   3.585  17.027  -2.311
  127    HB   ILE  19           HB       ILE  19   4.326  17.606  -5.177
  128   1HG1  ILE  19          2HG1      ILE  19   3.154  19.781  -3.599
  129   2HG1  ILE  19          1HG1      ILE  19   4.755  19.302  -3.047
  130   1HG2  ILE  19          1HG2      ILE  19   1.858  18.620  -4.827
  131   2HG2  ILE  19          2HG2      ILE  19   1.801  17.267  -3.696
  132   3HG2  ILE  19          3HG2      ILE  19   2.170  16.980  -5.397
  133   1HD1  ILE  19          1HD1      ILE  19   4.020  20.894  -5.296
  134   2HD1  ILE  19          2HD1      ILE  19   4.899  19.467  -5.844
  135   3HD1  ILE  19          3HD1      ILE  19   5.624  20.544  -4.651
  136    H    CYS  20           H        CYS  20   5.974  15.034  -3.222
  137    HA   CYS  20           HA       CYS  20   4.507  12.717  -3.325
  138   1HB   CYS  20          2HB       CYS  20   4.198  14.135  -5.755
  139   2HB   CYS  20          1HB       CYS  20   5.250  12.769  -6.103
  140    H    LYS  21           H        LYS  21   5.788  10.849  -3.680
  141    HA   LYS  21           HA       LYS  21   8.495  11.069  -4.597
  142   1HB   LYS  21          2HB       LYS  21   7.894  11.310  -1.743
  143   2HB   LYS  21          1HB       LYS  21   9.042  10.027  -2.100
  144   1HG   LYS  21          2HG       LYS  21   9.322  12.894  -2.976
  145   2HG   LYS  21          1HG       LYS  21  10.136  12.163  -1.590
  146   1HD   LYS  21          2HD       LYS  21  10.827  10.414  -3.517
  147   2HD   LYS  21          1HD       LYS  21  10.679  11.885  -4.480
  148   1HE   LYS  21          2HE       LYS  21  12.233  13.030  -2.998
  149   2HE   LYS  21          1HE       LYS  21  12.349  11.592  -1.984
  150   1HZ   LYS  21          1HZ       LYS  21  14.175  11.990  -3.690
  151   2HZ   LYS  21          2HZ       LYS  21  13.047  11.510  -4.854
  152   3HZ   LYS  21          3HZ       LYS  21  13.501  10.438  -3.627
  153    H    THR  22           H        THR  22   8.867   9.227  -5.623
  154    HA   THR  22           HA       THR  22   7.204   6.948  -5.337
  155    HB   THR  22           HB       THR  22   8.249   7.461  -7.461
  156    HG1  THR  22           1HG      THR  22   8.673   5.426  -7.959
  157   1HG2  THR  22          1HG2      THR  22  10.478   8.172  -6.161
  158   2HG2  THR  22          2HG2      THR  22  10.439   7.740  -7.871
  159   3HG2  THR  22          3HG2      THR  22  10.929   6.546  -6.670
  160    H    LEU  23           H        LEU  23   8.591   4.709  -5.285
  161    HA   LEU  23           HA       LEU  23  10.667   4.580  -3.366
  162   1HB   LEU  23          2HB       LEU  23   8.044   4.751  -2.335
  163   2HB   LEU  23          1HB       LEU  23   8.641   3.133  -2.037
  164    HG   LEU  23           HG       LEU  23   9.966   5.699  -1.172
  165   1HD1  LEU  23          1HD1      LEU  23   7.835   4.743  -0.001
  166   2HD1  LEU  23          2HD1      LEU  23   9.207   5.302   0.957
  167   3HD1  LEU  23          3HD1      LEU  23   8.975   3.577   0.671
  168   1HD2  LEU  23          1HD2      LEU  23  11.669   4.099  -1.686
  169   2HD2  LEU  23          2HD2      LEU  23  10.793   2.822  -0.842
  170   3HD2  LEU  23          3HD2      LEU  23  11.490   4.162   0.068
  171    H    CYS  24           H        CYS  24   7.837   2.667  -4.378
  172    HA   CYS  24           HA       CYS  24   9.659   0.421  -4.914
  173   1HB   CYS  24          2HB       CYS  24   7.583  -0.983  -4.818
  174   2HB   CYS  24          1HB       CYS  24   7.991  -0.186  -3.301
  175    H    ASN  25           H        ASN  25   8.806  -1.071  -6.688
  176    HA   ASN  25           HA       ASN  25   8.001   0.580  -8.990
  177   1HB   ASN  25          2HB       ASN  25  10.099  -1.437  -8.630
  178   2HB   ASN  25          1HB       ASN  25   9.118  -1.694 -10.069
  179   1HD2  ASN  25          1HD2      ASN  25   9.062  -0.081 -11.669
  180   2HD2  ASN  25          2HD2      ASN  25  10.313   1.104 -11.791
  181    H    SER  26           H        SER  26   7.194  -2.113  -7.029
  182    HA   SER  26           HA       SER  26   4.651  -2.432  -8.035
  183   1HB   SER  26          2HB       SER  26   6.676  -3.859  -9.565
  184   2HB   SER  26          1HB       SER  26   5.449  -4.942  -8.914
  185    HG   SER  26           HG       SER  26   3.876  -3.507  -9.857
  186    H    ASP  27           H        ASP  27   3.870  -4.849  -7.485
  187    HA   ASP  27           HA       ASP  27   3.915  -5.082  -4.732
  188   1HB   ASP  27          2HB       ASP  27   2.458  -6.242  -6.640
  189   2HB   ASP  27          1HB       ASP  27   3.562  -7.568  -6.306
  190    H    SER  28           H        SER  28   5.936  -6.703  -7.130
  191    HA   SER  28           HA       SER  28   7.304  -8.352  -5.256
  192   1HB   SER  28          2HB       SER  28   8.012  -7.487  -8.068
  193   2HB   SER  28          1HB       SER  28   8.945  -8.659  -7.138
  194    HG   SER  28           HG       SER  28   7.170  -9.406  -8.644
  195    H    GLY  29           H        GLY  29   7.559  -5.045  -6.139
  196   1HA   GLY  29          2HA       GLY  29  10.310  -4.730  -5.389
  197   2HA   GLY  29          1HA       GLY  29   9.182  -3.442  -5.757
  198    H    CYS  30           H        CYS  30   7.211  -4.325  -3.843
  199    HA   CYS  30           HA       CYS  30   8.267  -2.999  -1.537
  200   1HB   CYS  30          2HB       CYS  30   5.616  -4.144  -2.265
  201   2HB   CYS  30          1HB       CYS  30   5.939  -3.698  -0.596
  202    HA   PRO  31           HA       PRO  31   9.525  -6.594   0.587
  203   1HB   PRO  31          2HB       PRO  31  10.300  -5.496   2.894
  204   2HB   PRO  31          1HB       PRO  31  11.153  -5.157   1.382
  205   1HG   PRO  31          2HG       PRO  31   9.179  -3.479   2.864
  206   2HG   PRO  31          1HG       PRO  31  10.635  -2.985   1.984
  207   1HD   PRO  31          2HD       PRO  31   8.024  -2.874   1.004
  208   2HD   PRO  31          1HD       PRO  31   9.500  -2.800   0.024
  209    H    ASN  32           H        ASN  32   9.353  -7.353   3.066
  210    HA   ASN  32           HA       ASN  32   8.014  -8.443   4.534
  211   1HB   ASN  32          2HB       ASN  32   6.746  -5.705   4.483
  212   2HB   ASN  32          1HB       ASN  32   6.272  -6.960   5.623
  213   1HD2  ASN  32          1HD2      ASN  32   8.706  -4.689   4.708
  214   2HD2  ASN  32          2HD2      ASN  32   9.690  -4.854   6.118
  215    H    VAL  33           H        VAL  33   5.273  -6.529   3.461
  216    HA   VAL  33           HA       VAL  33   4.258  -8.531   1.678
  217    HB   VAL  33           HB       VAL  33   3.777  -9.588   3.862
  218   1HG1  VAL  33          1HG1      VAL  33   2.773  -8.561   5.591
  219   2HG1  VAL  33          2HG1      VAL  33   1.660  -7.671   4.550
  220   3HG1  VAL  33          3HG1      VAL  33   3.307  -7.086   4.785
  221   1HG2  VAL  33          1HG2      VAL  33   1.081  -8.811   2.956
  222   2HG2  VAL  33          2HG2      VAL  33   1.803 -10.409   3.140
  223   3HG2  VAL  33          3HG2      VAL  33   2.164  -9.438   1.714
  224    H    GLN  34           H        GLN  34   4.793  -5.605   1.920
  225    HA   GLN  34           HA       GLN  34   2.159  -4.407   1.769
  226   1HB   GLN  34          2HB       GLN  34   4.899  -3.199   1.391
  227   2HB   GLN  34          1HB       GLN  34   3.389  -2.303   1.480
  228   1HG   GLN  34          2HG       GLN  34   3.044  -3.165   3.753
  229   2HG   GLN  34          1HG       GLN  34   4.605  -3.970   3.657
  230   1HE2  GLN  34          1HE2      GLN  34   3.282  -0.744   2.978
  231   2HE2  GLN  34          2HE2      GLN  34   4.535   0.128   3.786
  232    H    LYS  35           H        LYS  35   1.203  -3.585  -0.049
  233    HA   LYS  35           HA       LYS  35   2.176  -4.606  -2.573
  234   1HB   LYS  35          2HB       LYS  35  -0.391  -3.720  -1.441
  235   2HB   LYS  35          1HB       LYS  35  -0.142  -3.275  -3.118
  236   1HG   LYS  35          2HG       LYS  35  -1.327  -5.409  -2.867
  237   2HG   LYS  35          1HG       LYS  35   0.205  -5.585  -3.725
  238   1HD   LYS  35          2HD       LYS  35   1.165  -6.781  -2.049
  239   2HD   LYS  35          1HD       LYS  35   0.273  -5.929  -0.786
  240   1HE   LYS  35          2HE       LYS  35  -1.770  -7.158  -1.491
  241   2HE   LYS  35          1HE       LYS  35  -0.774  -8.080  -2.612
  242   1HZ   LYS  35          1HZ       LYS  35   0.229  -8.057   0.088
  243   2HZ   LYS  35          2HZ       LYS  35   0.016  -9.355  -0.975
  244   3HZ   LYS  35          3HZ       LYS  35  -1.290  -8.787  -0.063
  245    H    CYS  36           H        CYS  36   2.431  -3.240  -4.420
  246    HA   CYS  36           HA       CYS  36   3.298  -0.543  -3.673
  247   1HB   CYS  36          2HB       CYS  36   4.886  -2.110  -4.847
  248   2HB   CYS  36          1HB       CYS  36   3.844  -2.010  -6.262
  249    H    CYS  37           H        CYS  37   1.460   0.660  -3.701
  250    HA   CYS  37           HA       CYS  37   0.107   0.918  -6.305
  251   1HB   CYS  37          2HB       CYS  37  -1.097  -0.121  -4.104
  252   2HB   CYS  37          1HB       CYS  37  -1.475   1.585  -3.903
  253    H    LYS  38           H        LYS  38  -1.410   3.051  -5.990
  254    HA   LYS  38           HA       LYS  38   0.485   5.187  -5.707
  255   1HB   LYS  38          2HB       LYS  38  -2.048   6.223  -6.325
  256   2HB   LYS  38          1HB       LYS  38  -0.707   5.958  -7.415
  257   1HG   LYS  38          2HG       LYS  38  -1.560   3.689  -7.861
  258   2HG   LYS  38          1HG       LYS  38  -2.952   4.050  -6.837
  259   1HD   LYS  38          2HD       LYS  38  -2.609   6.150  -8.756
  260   2HD   LYS  38          1HD       LYS  38  -2.624   4.594  -9.587
  261   1HE   LYS  38          2HE       LYS  38  -4.754   4.051  -8.762
  262   2HE   LYS  38          1HE       LYS  38  -4.687   5.304  -7.524
  263   1HZ   LYS  38          1HZ       LYS  38  -4.677   6.947  -9.391
  264   2HZ   LYS  38          2HZ       LYS  38  -6.117   6.076  -9.219
  265   3HZ   LYS  38          3HZ       LYS  38  -5.025   5.669 -10.445
  266    H    ASN  39           H        ASN  39  -1.211   7.262  -4.988
  267    HA   ASN  39           HA       ASN  39  -2.725   6.849  -2.670
  268   1HB   ASN  39          2HB       ASN  39  -1.076   7.823  -1.006
  269   2HB   ASN  39          1HB       ASN  39  -0.756   6.170  -1.521
  270   1HD2  ASN  39          1HD2      ASN  39   0.464   9.301  -1.243
  271   2HD2  ASN  39          2HD2      ASN  39   1.951   9.064  -2.090
  272    H    GLY  40           H        GLY  40  -0.325   9.100  -4.036
  273   1HA   GLY  40          2HA       GLY  40  -2.289  11.270  -3.622
  274   2HA   GLY  40          1HA       GLY  40  -0.549  11.505  -3.580
  275    H    CYS  41           H        CYS  41   0.387  12.237  -5.375
  276    HA   CYS  41           HA       CYS  41  -1.018  12.996  -7.631
  277   1HB   CYS  41          2HB       CYS  41   1.114  13.489  -8.607
  278   2HB   CYS  41          1HB       CYS  41   1.212  13.853  -6.894
  279    H    GLY  42           H        GLY  42   0.412   9.930  -6.834
  280   1HA   GLY  42          2HA       GLY  42  -0.631   8.031  -8.052
  281   2HA   GLY  42          1HA       GLY  42  -0.321   8.941  -9.522
  282    H    PHE  43           H        PHE  43   1.872   8.583  -6.781
  283    HA   PHE  43           HA       PHE  43   3.918   7.584  -8.582
  284   1HB   PHE  43          2HB       PHE  43   3.864   9.009  -6.068
  285   2HB   PHE  43          1HB       PHE  43   4.928   7.611  -5.958
  286    HD1  PHE  43           1HD      PHE  43   5.334  10.803  -6.120
  287    HD2  PHE  43           2HD      PHE  43   5.963   7.507  -8.735
  288    HE1  PHE  43           1HE      PHE  43   7.099  12.066  -7.280
  289    HE2  PHE  43           2HE      PHE  43   7.729   8.762  -9.900
  290    HZ   PHE  43           HZ       PHE  43   8.299  11.045  -9.173
  291    H    MET  44           H        MET  44   5.452   5.994  -6.987
  292    HA   MET  44           HA       MET  44   3.705   3.667  -6.521
  293   1HB   MET  44          2HB       MET  44   6.530   3.816  -7.571
  294   2HB   MET  44          1HB       MET  44   5.785   2.317  -7.037
  295   1HG   MET  44          2HG       MET  44   4.305   3.927  -9.026
  296   2HG   MET  44          1HG       MET  44   5.769   3.111  -9.569
  297   1HE   MET  44          1HE       MET  44   2.036   2.372  -9.934
  298   2HE   MET  44          2HE       MET  44   2.725   1.057 -10.886
  299   3HE   MET  44          3HE       MET  44   3.420   2.675 -10.984
  300    H    THR  45           H        THR  45   3.437   3.423  -4.398
  301    HA   THR  45           HA       THR  45   5.828   3.340  -2.702
  302    HB   THR  45           HB       THR  45   4.703   4.562  -0.923
  303    HG1  THR  45           1HG      THR  45   2.671   5.378  -1.180
  304   1HG2  THR  45          1HG2      THR  45   5.668   5.750  -3.191
  305   2HG2  THR  45          2HG2      THR  45   5.249   6.574  -1.689
  306   3HG2  THR  45          3HG2      THR  45   4.077   6.490  -3.005
  307    H    CYS  46           H        CYS  46   5.411   2.222  -0.611
  308    HA   CYS  46           HA       CYS  46   3.809  -0.136  -1.105
  309   1HB   CYS  46          2HB       CYS  46   5.625   0.567   1.200
  310   2HB   CYS  46          1HB       CYS  46   4.829  -0.985   0.986
  311    H    THR  47           H        THR  47   2.050  -0.766  -0.031
  312    HA   THR  47           HA       THR  47   1.030   0.864   2.173
  313    HB   THR  47           HB       THR  47   0.042   1.748   0.078
  314    HG1  THR  47           1HG      THR  47  -1.945   1.876   0.926
  315   1HG2  THR  47          1HG2      THR  47  -0.399  -1.037  -0.491
  316   2HG2  THR  47          2HG2      THR  47  -0.536   0.368  -1.548
  317   3HG2  THR  47          3HG2      THR  47  -1.905  -0.123  -0.551
  318    H    THR  48           H        THR  48  -1.147  -0.211   2.951
  319    HA   THR  48           HA       THR  48  -0.464  -2.877   3.721
  320    HB   THR  48           HB       THR  48  -3.028  -1.362   4.179
  321    HG1  THR  48           1HG      THR  48  -1.995  -0.307   5.649
  322   1HG2  THR  48          1HG2      THR  48  -1.900  -3.561   5.872
  323   2HG2  THR  48          2HG2      THR  48  -3.086  -3.843   4.598
  324   3HG2  THR  48          3HG2      THR  48  -3.493  -2.810   5.968
  325    HA   PRO  49           HA       PRO  49  -2.527  -4.890   0.326
  326   1HB   PRO  49          2HB       PRO  49  -2.398  -7.430   1.230
  327   2HB   PRO  49          1HB       PRO  49  -0.977  -6.571   0.626
  328   1HG   PRO  49          2HG       PRO  49  -1.850  -7.033   3.452
  329   2HG   PRO  49          1HG       PRO  49  -0.228  -7.161   2.748
  330   1HD   PRO  49          2HD       PRO  49  -1.067  -4.990   4.155
  331   2HD   PRO  49          1HD       PRO  49   0.132  -4.893   2.850
  332    H    VAL  50           H        VAL  50  -4.609  -5.326  -0.151
  333    HA   VAL  50           HA       VAL  50  -6.458  -5.720   2.105
  334    HB   VAL  50           HB       VAL  50  -6.843  -3.675   0.786
  335   1HG1  VAL  50          1HG1      VAL  50  -7.910  -5.118  -1.541
  336   2HG1  VAL  50          2HG1      VAL  50  -6.153  -5.139  -1.387
  337   3HG1  VAL  50          3HG1      VAL  50  -7.013  -3.602  -1.454
  338   1HG2  VAL  50          1HG2      VAL  50  -8.765  -4.491   1.855
  339   2HG2  VAL  50          2HG2      VAL  50  -8.926  -5.838   0.729
  340   3HG2  VAL  50          3HG2      VAL  50  -9.273  -4.193   0.192
  341    HA   PRO  51           HA       PRO  51  -7.286  -9.891   0.852
  342   1HB   PRO  51          2HB       PRO  51 -10.089  -9.209   1.600
  343   2HB   PRO  51          1HB       PRO  51  -9.083 -10.566   2.119
  344   1HG   PRO  51          2HG       PRO  51  -9.532  -8.513   3.750
  345   2HG   PRO  51          1HG       PRO  51  -7.940  -9.291   3.685
  346   1HD   PRO  51          2HD       PRO  51  -8.826  -6.685   2.531
  347   2HD   PRO  51          1HD       PRO  51  -7.261  -7.134   3.239
  Start of MODEL   17
    1   1H    ASN   1          1HT       ASN   1   2.995  -9.975 -11.621
    2   2H    ASN   1          2HT       ASN   1   4.247 -10.148 -10.460
    3   3H    ASN   1          3HT       ASN   1   4.460  -9.105 -11.807
    4    HA   ASN   1           HA       ASN   1   3.947  -8.044  -9.632
    5   1HB   ASN   1          2HB       ASN   1   2.485  -7.636 -12.222
    6   2HB   ASN   1          1HB       ASN   1   2.149  -6.582 -10.851
    7   1HD2  ASN   1          1HD2      ASN   1   2.972  -5.075 -12.603
    8   2HD2  ASN   1          2HD2      ASN   1   4.664  -4.733 -12.582
    9    H    GLU   2           H        GLU   2   3.050  -9.561  -8.113
   10    HA   GLU   2           HA       GLU   2   0.572  -9.005  -7.184
   11   1HB   GLU   2          2HB       GLU   2   0.336 -10.666  -9.475
   12   2HB   GLU   2          1HB       GLU   2  -0.084 -11.646  -8.077
   13   1HG   GLU   2          2HG       GLU   2  -2.032 -10.615  -7.810
   14   2HG   GLU   2          1HG       GLU   2  -1.307  -9.018  -7.988
   15    H    LYS   3           H        LYS   3   0.496  -9.692  -5.142
   16    HA   LYS   3           HA       LYS   3   2.263 -11.922  -4.386
   17   1HB   LYS   3          2HB       LYS   3   2.226  -9.314  -3.450
   18   2HB   LYS   3          1HB       LYS   3   1.368 -10.204  -2.203
   19   1HG   LYS   3          2HG       LYS   3   3.273 -11.759  -2.047
   20   2HG   LYS   3          1HG       LYS   3   4.138 -10.776  -3.230
   21   1HD   LYS   3          2HD       LYS   3   3.034  -9.311  -0.926
   22   2HD   LYS   3          1HD       LYS   3   4.332 -10.447  -0.551
   23   1HE   LYS   3          2HE       LYS   3   5.079  -9.020  -2.882
   24   2HE   LYS   3          1HE       LYS   3   4.504  -7.847  -1.700
   25   1HZ   LYS   3          1HZ       LYS   3   6.046  -9.395  -0.174
   26   2HZ   LYS   3          2HZ       LYS   3   6.602  -8.002  -0.955
   27   3HZ   LYS   3          3HZ       LYS   3   6.870  -9.522  -1.647
   28    H    SER   4           H        SER   4  -0.608 -10.296  -3.029
   29    HA   SER   4           HA       SER   4  -1.934 -12.899  -2.826
   30   1HB   SER   4          2HB       SER   4  -0.711 -11.866  -0.630
   31   2HB   SER   4          1HB       SER   4  -2.311 -11.139  -0.480
   32    HG   SER   4           HG       SER   4  -1.829 -13.911  -0.863
   33    H    GLY   5           H        GLY   5  -2.488  -9.504  -1.848
   34   1HA   GLY   5          2HA       GLY   5  -5.114  -9.673  -3.184
   35   2HA   GLY   5          1HA       GLY   5  -4.766  -8.646  -1.802
   36    H    SER   6           H        SER   6  -5.077  -6.645  -2.540
   37    HA   SER   6           HA       SER   6  -3.283  -5.660  -4.595
   38   1HB   SER   6          2HB       SER   6  -6.024  -4.687  -5.019
   39   2HB   SER   6          1HB       SER   6  -4.808  -5.180  -6.195
   40    HG   SER   6           HG       SER   6  -6.463  -6.900  -4.660
   41    H    CYS   7           H        CYS   7  -4.494  -3.156  -4.926
   42    HA   CYS   7           HA       CYS   7  -3.573  -1.798  -2.628
   43   1HB   CYS   7          2HB       CYS   7  -3.466  -0.728  -4.792
   44   2HB   CYS   7          1HB       CYS   7  -5.210  -0.846  -4.987
   45    HA   PRO   8           HA       PRO   8  -7.074  -2.023   0.078
   46   1HB   PRO   8          2HB       PRO   8  -6.740   0.442   1.309
   47   2HB   PRO   8          1HB       PRO   8  -5.926  -1.052   1.784
   48   1HG   PRO   8          2HG       PRO   8  -4.926   1.200   0.096
   49   2HG   PRO   8          1HG       PRO   8  -4.065   0.240   1.312
   50   1HD   PRO   8          2HD       PRO   8  -3.715  -0.193  -1.307
   51   2HD   PRO   8          1HD       PRO   8  -3.732  -1.537  -0.145
   52    H    ASP   9           H        ASP   9  -6.774   1.451  -0.580
   53    HA   ASP   9           HA       ASP   9  -8.987   1.536  -2.380
   54   1HB   ASP   9          2HB       ASP   9  -9.510   1.725   0.477
   55   2HB   ASP   9          1HB       ASP   9 -10.057   3.159  -0.386
   56    H    MET  10           H        MET  10  -6.247   2.520  -2.139
   57    HA   MET  10           HA       MET  10  -5.012   4.378  -2.577
   58   1HB   MET  10          2HB       MET  10  -7.263   4.490  -4.180
   59   2HB   MET  10          1HB       MET  10  -7.223   6.084  -3.439
   60   1HG   MET  10          2HG       MET  10  -5.041   6.510  -4.291
   61   2HG   MET  10          1HG       MET  10  -4.869   4.843  -4.836
   62   1HE   MET  10          1HE       MET  10  -5.017   8.061  -6.858
   63   2HE   MET  10          2HE       MET  10  -5.836   8.233  -5.305
   64   3HE   MET  10          3HE       MET  10  -6.749   8.383  -6.806
   65    H    SER  11           H        SER  11  -5.438   7.067  -2.415
   66    HA   SER  11           HA       SER  11  -5.457   8.802  -0.945
   67   1HB   SER  11          2HB       SER  11  -7.846   7.207  -0.211
   68   2HB   SER  11          1HB       SER  11  -7.297   8.378   0.986
   69    HG   SER  11           HG       SER  11  -8.679   9.455  -0.349
   70    H    MET  12           H        MET  12  -5.592   9.162   1.670
   71    HA   MET  12           HA       MET  12  -4.476   8.933   3.636
   72   1HB   MET  12          2HB       MET  12  -5.611   6.524   3.235
   73   2HB   MET  12          1HB       MET  12  -3.918   6.049   3.244
   74   1HG   MET  12          2HG       MET  12  -3.826   7.464   5.431
   75   2HG   MET  12          1HG       MET  12  -5.570   7.215   5.431
   76   1HE   MET  12          1HE       MET  12  -4.303   5.209   8.187
   77   2HE   MET  12          2HE       MET  12  -5.908   4.779   7.595
   78   3HE   MET  12          3HE       MET  12  -5.376   6.460   7.558
   79    HA   PRO  13           HA       PRO  13  -0.462   8.624   1.178
   80   1HB   PRO  13          2HB       PRO  13   0.129  11.264   1.119
   81   2HB   PRO  13          1HB       PRO  13  -0.871  10.487  -0.113
   82   1HG   PRO  13          2HG       PRO  13  -1.710  12.102   2.264
   83   2HG   PRO  13          1HG       PRO  13  -2.327  12.154   0.602
   84   1HD   PRO  13          2HD       PRO  13  -3.603  10.840   2.605
   85   2HD   PRO  13          1HD       PRO  13  -3.674  10.313   0.911
   86    H    ILE  14           H        ILE  14   1.104   7.988   2.513
   87    HA   ILE  14           HA       ILE  14   1.714   9.657   4.863
   88    HB   ILE  14           HB       ILE  14   1.920   6.645   4.798
   89   1HG1  ILE  14          2HG1      ILE  14  -0.033   7.899   6.610
   90   2HG1  ILE  14          1HG1      ILE  14  -0.430   8.048   4.900
   91   1HG2  ILE  14          1HG2      ILE  14   3.424   7.266   6.403
   92   2HG2  ILE  14          2HG2      ILE  14   1.952   7.199   7.373
   93   3HG2  ILE  14          3HG2      ILE  14   2.559   8.752   6.797
   94   1HD1  ILE  14          1HD1      ILE  14   0.100   5.486   6.386
   95   2HD1  ILE  14          2HD1      ILE  14  -0.258   5.617   4.664
   96   3HD1  ILE  14          3HD1      ILE  14  -1.471   6.089   5.855
   97    HA   PRO  15           HA       PRO  15   5.498   8.701   2.200
   98   1HB   PRO  15          2HB       PRO  15   5.918  11.121   1.107
   99   2HB   PRO  15          1HB       PRO  15   4.814   9.947   0.380
  100   1HG   PRO  15          2HG       PRO  15   4.193  12.321   2.095
  101   2HG   PRO  15          1HG       PRO  15   3.377  11.759   0.625
  102   1HD   PRO  15          2HD       PRO  15   2.449  11.266   3.146
  103   2HD   PRO  15          1HD       PRO  15   2.136  10.200   1.761
  104    HA   PRO  16           HA       PRO  16   7.517  10.650   5.773
  105   1HB   PRO  16          2HB       PRO  16   9.490   8.857   6.049
  106   2HB   PRO  16          1HB       PRO  16   7.837   8.501   6.565
  107   1HG   PRO  16          2HG       PRO  16   9.271   7.656   4.081
  108   2HG   PRO  16          1HG       PRO  16   8.184   6.719   5.121
  109   1HD   PRO  16          2HD       PRO  16   7.427   7.900   2.754
  110   2HD   PRO  16          1HD       PRO  16   6.313   7.515   4.079
  111    H    LEU  17           H        LEU  17   9.314   9.316   3.001
  112    HA   LEU  17           HA       LEU  17  11.168  11.584   3.194
  113   1HB   LEU  17          2HB       LEU  17  11.928   9.087   3.288
  114   2HB   LEU  17          1HB       LEU  17  11.705   9.143   1.550
  115    HG   LEU  17           HG       LEU  17  14.050   9.530   2.266
  116   1HD1  LEU  17          1HD1      LEU  17  14.427  10.907   0.523
  117   2HD1  LEU  17          2HD1      LEU  17  13.279  12.119   1.091
  118   3HD1  LEU  17          3HD1      LEU  17  12.700  10.683   0.246
  119   1HD2  LEU  17          1HD2      LEU  17  14.685  11.163   3.687
  120   2HD2  LEU  17          2HD2      LEU  17  13.027  11.009   4.268
  121   3HD2  LEU  17          3HD2      LEU  17  13.445  12.284   3.124
  122    H    GLY  18           H        GLY  18  10.726  13.172   1.816
  123   1HA   GLY  18          2HA       GLY  18  10.294  14.259  -0.164
  124   2HA   GLY  18          1HA       GLY  18  10.539  12.724  -0.985
  125    H    ILE  19           H        ILE  19   8.439  15.036  -0.951
  126    HA   ILE  19           HA       ILE  19   6.025  13.427  -0.565
  127    HB   ILE  19           HB       ILE  19   6.143  16.351  -1.284
  128   1HG1  ILE  19          2HG1      ILE  19   7.386  16.051   0.786
  129   2HG1  ILE  19          1HG1      ILE  19   5.830  16.797   1.135
  130   1HG2  ILE  19          1HG2      ILE  19   3.934  15.404   0.348
  131   2HG2  ILE  19          2HG2      ILE  19   4.034  14.574  -1.204
  132   3HG2  ILE  19          3HG2      ILE  19   3.918  16.332  -1.151
  133   1HD1  ILE  19          1HD1      ILE  19   6.946  14.493   2.281
  134   2HD1  ILE  19          2HD1      ILE  19   5.574  13.961   1.308
  135   3HD1  ILE  19          3HD1      ILE  19   5.346  15.182   2.560
  136    H    CYS  20           H        CYS  20   7.852  12.975  -2.814
  137    HA   CYS  20           HA       CYS  20   5.968  12.641  -4.860
  138   1HB   CYS  20          2HB       CYS  20   6.503  15.218  -4.850
  139   2HB   CYS  20          1HB       CYS  20   7.956  14.711  -5.705
  140    H    LYS  21           H        LYS  21   7.683  10.910  -3.748
  141    HA   LYS  21           HA       LYS  21   9.450  10.264  -5.986
  142   1HB   LYS  21          2HB       LYS  21  10.307  10.306  -3.088
  143   2HB   LYS  21          1HB       LYS  21  11.238   9.569  -4.385
  144   1HG   LYS  21          2HG       LYS  21  10.493  12.322  -4.958
  145   2HG   LYS  21          1HG       LYS  21  11.462  12.158  -3.491
  146   1HD   LYS  21          2HD       LYS  21  12.851  10.542  -5.117
  147   2HD   LYS  21          1HD       LYS  21  12.183  11.651  -6.317
  148   1HE   LYS  21          2HE       LYS  21  13.031  13.369  -4.374
  149   2HE   LYS  21          1HE       LYS  21  14.242  12.091  -4.279
  150   1HZ   LYS  21          1HZ       LYS  21  14.950  12.480  -6.417
  151   2HZ   LYS  21          2HZ       LYS  21  14.579  14.050  -5.907
  152   3HZ   LYS  21          3HZ       LYS  21  13.499  13.205  -6.898
  153    H    THR  22           H        THR  22   8.920   8.306  -6.672
  154    HA   THR  22           HA       THR  22   7.167   6.557  -5.453
  155    HB   THR  22           HB       THR  22   7.625   6.303  -7.776
  156    HG1  THR  22           1HG      THR  22   7.200   4.342  -6.680
  157   1HG2  THR  22          1HG2      THR  22   9.828   5.367  -8.549
  158   2HG2  THR  22          2HG2      THR  22  10.476   5.831  -6.975
  159   3HG2  THR  22          3HG2      THR  22   9.833   7.062  -8.063
  160    H    LEU  23           H        LEU  23   7.597   4.327  -4.672
  161    HA   LEU  23           HA       LEU  23   9.956   4.300  -2.919
  162   1HB   LEU  23          2HB       LEU  23   7.221   4.019  -2.329
  163   2HB   LEU  23          1HB       LEU  23   7.979   2.469  -2.043
  164    HG   LEU  23           HG       LEU  23   9.319   4.862  -0.913
  165   1HD1  LEU  23          1HD1      LEU  23   7.330   5.543  -0.058
  166   2HD1  LEU  23          2HD1      LEU  23   7.732   4.318   1.146
  167   3HD1  LEU  23          3HD1      LEU  23   6.607   3.937  -0.159
  168   1HD2  LEU  23          1HD2      LEU  23  10.281   3.367   0.473
  169   2HD2  LEU  23          2HD2      LEU  23   9.809   2.218  -0.779
  170   3HD2  LEU  23          3HD2      LEU  23   8.803   2.422   0.654
  171    H    CYS  24           H        CYS  24   7.750   2.139  -4.696
  172    HA   CYS  24           HA       CYS  24  10.051   0.367  -5.138
  173   1HB   CYS  24          2HB       CYS  24   9.027  -1.462  -4.320
  174   2HB   CYS  24          1HB       CYS  24   8.052  -0.299  -3.444
  175    H    ASN  25           H        ASN  25   9.217  -1.429  -6.842
  176    HA   ASN  25           HA       ASN  25   8.378   0.146  -9.166
  177   1HB   ASN  25          2HB       ASN  25  10.513  -1.492  -8.895
  178   2HB   ASN  25          1HB       ASN  25   9.335  -2.630  -9.543
  179   1HD2  ASN  25          1HD2      ASN  25   9.350  -2.798 -11.653
  180   2HD2  ASN  25          2HD2      ASN  25   9.794  -1.561 -12.776
  181    H    SER  26           H        SER  26   7.549  -2.725  -7.315
  182    HA   SER  26           HA       SER  26   4.865  -2.639  -8.138
  183   1HB   SER  26          2HB       SER  26   6.388  -3.873 -10.018
  184   2HB   SER  26          1HB       SER  26   5.934  -5.241  -9.004
  185    HG   SER  26           HG       SER  26   4.112  -3.359 -10.099
  186    H    ASP  27           H        ASP  27   3.898  -5.014  -7.606
  187    HA   ASP  27           HA       ASP  27   3.733  -5.236  -4.907
  188   1HB   ASP  27          2HB       ASP  27   2.512  -6.504  -6.866
  189   2HB   ASP  27          1HB       ASP  27   3.668  -7.765  -6.463
  190    H    SER  28           H        SER  28   5.867  -7.258  -6.925
  191    HA   SER  28           HA       SER  28   7.138  -8.514  -4.729
  192   1HB   SER  28          2HB       SER  28   7.591  -8.360  -7.661
  193   2HB   SER  28          1HB       SER  28   8.968  -8.832  -6.666
  194    HG   SER  28           HG       SER  28   6.466 -10.105  -6.945
  195    H    GLY  29           H        GLY  29   7.464  -5.393  -6.044
  196   1HA   GLY  29          2HA       GLY  29  10.217  -4.980  -5.403
  197   2HA   GLY  29          1HA       GLY  29   9.060  -3.741  -5.834
  198    H    CYS  30           H        CYS  30   7.175  -4.200  -3.832
  199    HA   CYS  30           HA       CYS  30   8.331  -2.735  -1.703
  200   1HB   CYS  30          2HB       CYS  30   5.664  -3.851  -2.305
  201   2HB   CYS  30          1HB       CYS  30   6.011  -3.517  -0.614
  202    HA   PRO  31           HA       PRO  31   9.933  -5.928   0.775
  203   1HB   PRO  31          2HB       PRO  31   9.590  -4.247   3.140
  204   2HB   PRO  31          1HB       PRO  31  11.079  -4.763   2.344
  205   1HG   PRO  31          2HG       PRO  31  10.193  -2.205   2.273
  206   2HG   PRO  31          1HG       PRO  31  11.125  -2.938   0.955
  207   1HD   PRO  31          2HD       PRO  31   8.174  -2.471   1.158
  208   2HD   PRO  31          1HD       PRO  31   9.257  -2.268  -0.235
  209    H    ASN  32           H        ASN  32   9.546  -6.891   3.074
  210    HA   ASN  32           HA       ASN  32   8.230  -8.330   4.240
  211   1HB   ASN  32          2HB       ASN  32   6.681  -5.746   4.393
  212   2HB   ASN  32          1HB       ASN  32   6.244  -7.174   5.326
  213   1HD2  ASN  32          1HD2      ASN  32   7.969  -4.359   5.349
  214   2HD2  ASN  32          2HD2      ASN  32   9.048  -4.702   6.655
  215    H    VAL  33           H        VAL  33   5.364  -6.609   3.186
  216    HA   VAL  33           HA       VAL  33   4.711  -8.461   1.097
  217    HB   VAL  33           HB       VAL  33   4.226  -9.842   3.090
  218   1HG1  VAL  33          1HG1      VAL  33   2.460  -9.254   4.625
  219   2HG1  VAL  33          2HG1      VAL  33   2.156  -7.753   3.752
  220   3HG1  VAL  33          3HG1      VAL  33   3.677  -7.978   4.615
  221   1HG2  VAL  33          1HG2      VAL  33   2.438  -9.222   0.947
  222   2HG2  VAL  33          2HG2      VAL  33   1.504  -9.635   2.384
  223   3HG2  VAL  33          3HG2      VAL  33   2.707 -10.762   1.760
  224    H    GLN  34           H        GLN  34   4.908  -5.573   1.654
  225    HA   GLN  34           HA       GLN  34   2.182  -4.603   1.545
  226   1HB   GLN  34          2HB       GLN  34   4.808  -3.133   1.319
  227   2HB   GLN  34          1HB       GLN  34   3.223  -2.385   1.464
  228   1HG   GLN  34          2HG       GLN  34   2.938  -3.470   3.648
  229   2HG   GLN  34          1HG       GLN  34   4.561  -4.133   3.506
  230   1HE2  GLN  34          1HE2      GLN  34   2.911  -1.006   3.208
  231   2HE2  GLN  34          2HE2      GLN  34   4.106  -0.099   4.063
  232    H    LYS  35           H        LYS  35   1.197  -3.631  -0.214
  233    HA   LYS  35           HA       LYS  35   2.274  -4.379  -2.799
  234   1HB   LYS  35          2HB       LYS  35  -0.378  -3.814  -1.647
  235   2HB   LYS  35          1HB       LYS  35  -0.148  -3.250  -3.289
  236   1HG   LYS  35          2HG       LYS  35  -1.107  -5.437  -3.355
  237   2HG   LYS  35          1HG       LYS  35   0.563  -5.543  -3.920
  238   1HD   LYS  35          2HD       LYS  35   1.230  -6.766  -2.136
  239   2HD   LYS  35          1HD       LYS  35   0.145  -5.928  -1.025
  240   1HE   LYS  35          2HE       LYS  35  -1.753  -7.164  -2.081
  241   2HE   LYS  35          1HE       LYS  35  -0.563  -8.096  -2.985
  242   1HZ   LYS  35          1HZ       LYS  35  -0.326  -9.432  -1.252
  243   2HZ   LYS  35          2HZ       LYS  35  -1.495  -8.557  -0.397
  244   3HZ   LYS  35          3HZ       LYS  35   0.138  -8.136  -0.267
  245    H    CYS  36           H        CYS  36   2.298  -2.830  -4.559
  246    HA   CYS  36           HA       CYS  36   2.944  -0.141  -3.587
  247   1HB   CYS  36          2HB       CYS  36   4.089  -1.861  -5.584
  248   2HB   CYS  36          1HB       CYS  36   3.566  -0.363  -6.346
  249    H    CYS  37           H        CYS  37   1.009   0.886  -3.446
  250    HA   CYS  37           HA       CYS  37  -0.689   0.935  -5.842
  251   1HB   CYS  37          2HB       CYS  37  -1.828   0.175  -3.850
  252   2HB   CYS  37          1HB       CYS  37  -1.330   1.611  -2.972
  253    H    LYS  38           H        LYS  38  -1.733   2.964  -6.371
  254    HA   LYS  38           HA       LYS  38   0.167   5.167  -6.193
  255   1HB   LYS  38          2HB       LYS  38  -0.875   4.375  -8.376
  256   2HB   LYS  38          1HB       LYS  38  -2.378   5.090  -7.808
  257   1HG   LYS  38          2HG       LYS  38  -1.690   7.187  -8.217
  258   2HG   LYS  38          1HG       LYS  38  -0.037   6.860  -7.698
  259   1HD   LYS  38          2HD       LYS  38   0.455   7.008  -9.885
  260   2HD   LYS  38          1HD       LYS  38  -0.201   5.372  -9.974
  261   1HE   LYS  38          2HE       LYS  38  -1.465   6.321 -11.601
  262   2HE   LYS  38          1HE       LYS  38  -2.477   6.733 -10.217
  263   1HZ   LYS  38          1HZ       LYS  38  -1.973   8.907 -10.383
  264   2HZ   LYS  38          2HZ       LYS  38  -1.636   8.515 -11.994
  265   3HZ   LYS  38          3HZ       LYS  38  -0.376   8.631 -10.871
  266    H    ASN  39           H        ASN  39  -0.052   6.373  -4.420
  267    HA   ASN  39           HA       ASN  39  -2.536   7.781  -3.987
  268   1HB   ASN  39          2HB       ASN  39  -2.580   7.156  -1.536
  269   2HB   ASN  39          1HB       ASN  39  -3.056   5.877  -2.648
  270   1HD2  ASN  39          1HD2      ASN  39  -1.752   4.090  -2.900
  271   2HD2  ASN  39          2HD2      ASN  39  -0.440   3.735  -1.833
  272    H    GLY  40           H        GLY  40  -0.988   9.438  -4.670
  273   1HA   GLY  40          2HA       GLY  40  -0.144  11.083  -2.630
  274   2HA   GLY  40          1HA       GLY  40   1.253  10.094  -3.026
  275    H    CYS  41           H        CYS  41   2.536  10.746  -4.633
  276    HA   CYS  41           HA       CYS  41   1.674  13.057  -6.209
  277   1HB   CYS  41          2HB       CYS  41   3.975  12.657  -4.848
  278   2HB   CYS  41          1HB       CYS  41   4.456  12.072  -6.437
  279    H    GLY  42           H        GLY  42   0.836  10.250  -6.761
  280   1HA   GLY  42          2HA       GLY  42   0.283   9.202  -8.755
  281   2HA   GLY  42          1HA       GLY  42   1.335  10.324  -9.603
  282    H    PHE  43           H        PHE  43   2.646   8.617  -6.899
  283    HA   PHE  43           HA       PHE  43   4.190   6.946  -8.767
  284   1HB   PHE  43          2HB       PHE  43   5.878   6.834  -6.900
  285   2HB   PHE  43          1HB       PHE  43   5.656   8.432  -7.603
  286    HD1  PHE  43           1HD      PHE  43   5.507  10.202  -6.165
  287    HD2  PHE  43           2HD      PHE  43   4.263   6.359  -4.824
  288    HE1  PHE  43           1HE      PHE  43   5.065  11.129  -3.930
  289    HE2  PHE  43           2HE      PHE  43   3.816   7.280  -2.587
  290    HZ   PHE  43           HZ       PHE  43   4.218   9.668  -2.138
  291    H    MET  44           H        MET  44   5.217   5.028  -7.250
  292    HA   MET  44           HA       MET  44   2.853   3.636  -6.180
  293   1HB   MET  44          2HB       MET  44   4.817   2.867  -8.119
  294   2HB   MET  44          1HB       MET  44   4.917   1.778  -6.743
  295   1HG   MET  44          2HG       MET  44   2.563   1.258  -6.947
  296   2HG   MET  44          1HG       MET  44   2.404   2.407  -8.273
  297   1HE   MET  44          1HE       MET  44   1.324   1.083  -9.613
  298   2HE   MET  44          2HE       MET  44   1.637  -0.608 -10.009
  299   3HE   MET  44          3HE       MET  44   2.326   0.673 -11.006
  300    H    THR  45           H        THR  45   2.882   3.780  -4.026
  301    HA   THR  45           HA       THR  45   5.432   3.296  -2.631
  302    HB   THR  45           HB       THR  45   4.622   5.484  -2.092
  303    HG1  THR  45           1HG      THR  45   5.004   5.144  -0.073
  304   1HG2  THR  45          1HG2      THR  45   1.985   4.160  -1.906
  305   2HG2  THR  45          2HG2      THR  45   2.420   5.753  -2.525
  306   3HG2  THR  45          3HG2      THR  45   2.320   5.480  -0.785
  307    H    CYS  46           H        CYS  46   5.280   2.111  -0.572
  308    HA   CYS  46           HA       CYS  46   3.692  -0.241  -0.898
  309   1HB   CYS  46          2HB       CYS  46   5.407   0.587   1.440
  310   2HB   CYS  46          1HB       CYS  46   4.752  -1.018   1.165
  311    H    THR  47           H        THR  47   1.897  -0.835   0.058
  312    HA   THR  47           HA       THR  47   0.816   0.701   2.297
  313    HB   THR  47           HB       THR  47  -0.126   1.668   0.219
  314    HG1  THR  47           1HG      THR  47  -2.085   0.200   1.642
  315   1HG2  THR  47          1HG2      THR  47  -1.603   0.480  -1.198
  316   2HG2  THR  47          2HG2      THR  47  -1.507  -0.966  -0.192
  317   3HG2  THR  47          3HG2      THR  47  -0.101  -0.441  -1.118
  318    H    THR  48           H        THR  48  -1.102  -0.400   3.277
  319    HA   THR  48           HA       THR  48  -0.500  -3.092   3.833
  320    HB   THR  48           HB       THR  48  -3.057  -1.588   4.360
  321    HG1  THR  48           1HG      THR  48  -1.577  -0.489   5.460
  322   1HG2  THR  48          1HG2      THR  48  -3.838  -3.318   5.490
  323   2HG2  THR  48          2HG2      THR  48  -2.313  -3.512   6.357
  324   3HG2  THR  48          3HG2      THR  48  -2.539  -4.282   4.787
  325    HA   PRO  49           HA       PRO  49  -2.506  -4.962   0.310
  326   1HB   PRO  49          2HB       PRO  49  -2.304  -7.545   1.104
  327   2HB   PRO  49          1HB       PRO  49  -0.930  -6.628   0.475
  328   1HG   PRO  49          2HG       PRO  49  -1.673  -7.217   3.315
  329   2HG   PRO  49          1HG       PRO  49  -0.078  -7.281   2.540
  330   1HD   PRO  49          2HD       PRO  49  -0.874  -5.189   4.064
  331   2HD   PRO  49          1HD       PRO  49   0.220  -5.000   2.680
  332    H    VAL  50           H        VAL  50  -4.607  -5.207  -0.104
  333    HA   VAL  50           HA       VAL  50  -6.387  -5.979   2.106
  334    HB   VAL  50           HB       VAL  50  -6.803  -3.737   1.182
  335   1HG1  VAL  50          1HG1      VAL  50  -7.178  -5.251  -1.387
  336   2HG1  VAL  50          2HG1      VAL  50  -6.101  -3.893  -1.060
  337   3HG1  VAL  50          3HG1      VAL  50  -7.845  -3.640  -1.128
  338   1HG2  VAL  50          1HG2      VAL  50  -9.215  -4.011   0.758
  339   2HG2  VAL  50          2HG2      VAL  50  -8.662  -4.963   2.137
  340   3HG2  VAL  50          3HG2      VAL  50  -8.970  -5.750   0.589
  341    HA   PRO  51           HA       PRO  51  -7.309  -9.856   0.177
  342   1HB   PRO  51          2HB       PRO  51 -10.105  -9.270   1.026
  343   2HB   PRO  51          1HB       PRO  51  -9.119 -10.708   1.316
  344   1HG   PRO  51          2HG       PRO  51  -9.545  -8.946   3.263
  345   2HG   PRO  51          1HG       PRO  51  -7.962  -9.723   3.070
  346   1HD   PRO  51          2HD       PRO  51  -8.816  -6.952   2.360
  347   2HD   PRO  51          1HD       PRO  51  -7.259  -7.528   2.988
  Start of MODEL   18
    1   1H    ASN   1          1HT       ASN   1   4.616  -7.123  -9.362
    2   2H    ASN   1          2HT       ASN   1   5.031  -8.670  -8.745
    3   3H    ASN   1          3HT       ASN   1   3.691  -7.817  -8.097
    4    HA   ASN   1           HA       ASN   1   2.727  -7.885 -10.379
    5   1HB   ASN   1          2HB       ASN   1   5.174  -8.729 -11.096
    6   2HB   ASN   1          1HB       ASN   1   4.414 -10.295 -10.827
    7   1HD2  ASN   1          1HD2      ASN   1   3.662 -11.148 -12.611
    8   2HD2  ASN   1          2HD2      ASN   1   2.955 -10.295 -13.937
    9    H    GLU   2           H        GLU   2   1.258  -8.329  -8.582
   10    HA   GLU   2           HA       GLU   2  -0.250  -9.635  -7.489
   11   1HB   GLU   2          2HB       GLU   2   0.623 -11.504  -9.680
   12   2HB   GLU   2          1HB       GLU   2  -0.576 -11.981  -8.487
   13   1HG   GLU   2          2HG       GLU   2  -1.652  -9.665  -9.240
   14   2HG   GLU   2          1HG       GLU   2  -0.777 -10.056 -10.720
   15    H    LYS   3           H        LYS   3   0.559  -9.858  -5.469
   16    HA   LYS   3           HA       LYS   3   2.517 -11.989  -4.976
   17   1HB   LYS   3          2HB       LYS   3   2.525  -9.408  -4.116
   18   2HB   LYS   3          1HB       LYS   3   1.755 -10.206  -2.753
   19   1HG   LYS   3          2HG       LYS   3   3.744 -11.858  -2.919
   20   2HG   LYS   3          1HG       LYS   3   4.511 -10.564  -3.842
   21   1HD   LYS   3          2HD       LYS   3   3.227  -9.723  -1.331
   22   2HD   LYS   3          1HD       LYS   3   4.620 -10.790  -1.142
   23   1HE   LYS   3          2HE       LYS   3   5.523  -9.033  -3.017
   24   2HE   LYS   3          1HE       LYS   3   4.482  -8.001  -2.037
   25   1HZ   LYS   3          1HZ       LYS   3   5.807  -8.226  -0.220
   26   2HZ   LYS   3          2HZ       LYS   3   6.987  -8.397  -1.421
   27   3HZ   LYS   3          3HZ       LYS   3   6.359  -9.767  -0.651
   28    H    SER   4           H        SER   4  -0.184 -10.581  -3.122
   29    HA   SER   4           HA       SER   4  -1.258 -13.279  -2.726
   30   1HB   SER   4          2HB       SER   4  -1.207 -11.424  -0.379
   31   2HB   SER   4          1HB       SER   4  -1.257 -13.187  -0.413
   32    HG   SER   4           HG       SER   4   0.956 -12.989  -1.313
   33    H    GLY   5           H        GLY   5  -1.851  -9.868  -1.842
   34   1HA   GLY   5          2HA       GLY   5  -4.688 -10.299  -2.524
   35   2HA   GLY   5          1HA       GLY   5  -4.110  -9.111  -1.366
   36    H    SER   6           H        SER   6  -4.711  -7.216  -2.202
   37    HA   SER   6           HA       SER   6  -3.498  -6.387  -4.698
   38   1HB   SER   6          2HB       SER   6  -6.115  -5.367  -4.897
   39   2HB   SER   6          1HB       SER   6  -5.366  -6.589  -5.925
   40    HG   SER   6           HG       SER   6  -7.043  -6.926  -3.690
   41    H    CYS   7           H        CYS   7  -4.710  -3.990  -5.040
   42    HA   CYS   7           HA       CYS   7  -3.742  -2.506  -2.736
   43   1HB   CYS   7          2HB       CYS   7  -2.929  -1.744  -4.863
   44   2HB   CYS   7          1HB       CYS   7  -4.559  -1.664  -5.521
   45    HA   PRO   8           HA       PRO   8  -7.753  -1.733  -1.017
   46   1HB   PRO   8          2HB       PRO   8  -6.685   0.922  -0.249
   47   2HB   PRO   8          1HB       PRO   8  -7.354  -0.359   0.767
   48   1HG   PRO   8          2HG       PRO   8  -4.733   0.144   0.735
   49   2HG   PRO   8          1HG       PRO   8  -5.351  -1.513   0.865
   50   1HD   PRO   8          2HD       PRO   8  -4.215  -0.093  -1.511
   51   2HD   PRO   8          1HD       PRO   8  -3.990  -1.774  -0.988
   52    H    ASP   9           H        ASP   9  -9.482  -0.028  -1.031
   53    HA   ASP   9           HA       ASP   9  -9.320   1.780  -3.329
   54   1HB   ASP   9          2HB       ASP   9 -11.581   1.048  -4.077
   55   2HB   ASP   9          1HB       ASP   9 -10.358  -0.209  -4.234
   56    H    MET  10           H        MET  10  -9.046   2.948  -1.083
   57    HA   MET  10           HA       MET  10 -11.598   4.252  -0.581
   58   1HB   MET  10          2HB       MET  10 -10.150   2.580   1.396
   59   2HB   MET  10          1HB       MET  10 -10.785   4.112   1.980
   60   1HG   MET  10          2HG       MET  10 -12.972   3.489   1.651
   61   2HG   MET  10          1HG       MET  10 -12.558   2.293   0.424
   62   1HE   MET  10          1HE       MET  10 -10.802   2.349   4.219
   63   2HE   MET  10          2HE       MET  10 -12.341   1.904   4.955
   64   3HE   MET  10          3HE       MET  10 -12.220   3.372   3.987
   65    H    SER  11           H        SER  11 -11.015   5.965   1.370
   66    HA   SER  11           HA       SER  11  -9.947   7.907   1.881
   67   1HB   SER  11          2HB       SER  11  -7.745   6.073   1.172
   68   2HB   SER  11          1HB       SER  11  -7.350   7.788   1.072
   69    HG   SER  11           HG       SER  11  -8.389   6.399   3.318
   70    H    MET  12           H        MET  12  -9.806   9.871   0.926
   71    HA   MET  12           HA       MET  12 -10.092   9.952  -1.958
   72   1HB   MET  12          2HB       MET  12 -10.264  12.101   0.159
   73   2HB   MET  12          1HB       MET  12 -10.499  12.397  -1.559
   74   1HG   MET  12          2HG       MET  12 -12.514  11.309  -1.614
   75   2HG   MET  12          1HG       MET  12 -12.130  10.299  -0.221
   76   1HE   MET  12          1HE       MET  12 -15.178  13.215   0.063
   77   2HE   MET  12          2HE       MET  12 -14.819  11.786  -0.907
   78   3HE   MET  12          3HE       MET  12 -14.181  13.359  -1.385
   79    HA   PRO  13           HA       PRO  13  -6.027  11.087  -3.189
   80   1HB   PRO  13          2HB       PRO  13  -7.224  13.473  -4.509
   81   2HB   PRO  13          1HB       PRO  13  -6.186  12.215  -5.187
   82   1HG   PRO  13          2HG       PRO  13  -8.795  12.254  -5.718
   83   2HG   PRO  13          1HG       PRO  13  -7.944  10.721  -5.446
   84   1HD   PRO  13          2HD       PRO  13  -9.766  12.229  -3.624
   85   2HD   PRO  13          1HD       PRO  13  -9.585  10.476  -3.844
   86    H    ILE  14           H        ILE  14  -4.346  12.584  -2.788
   87    HA   ILE  14           HA       ILE  14  -5.055  14.830  -1.028
   88    HB   ILE  14           HB       ILE  14  -4.173  12.964   0.314
   89   1HG1  ILE  14          2HG1      ILE  14  -2.164  15.214   0.141
   90   2HG1  ILE  14          1HG1      ILE  14  -3.747  15.372   0.893
   91   1HG2  ILE  14          1HG2      ILE  14  -2.280  11.827  -0.134
   92   2HG2  ILE  14          2HG2      ILE  14  -1.438  13.254  -0.738
   93   3HG2  ILE  14          3HG2      ILE  14  -2.577  12.397  -1.777
   94   1HD1  ILE  14          1HD1      ILE  14  -1.644  13.404   1.753
   95   2HD1  ILE  14          2HD1      ILE  14  -3.176  13.745   2.559
   96   3HD1  ILE  14          3HD1      ILE  14  -1.916  14.978   2.499
   97    HA   PRO  15           HA       PRO  15  -2.880  17.400  -3.937
   98   1HB   PRO  15          2HB       PRO  15  -2.034  18.763  -1.413
   99   2HB   PRO  15          1HB       PRO  15  -2.683  19.459  -2.904
  100   1HG   PRO  15          2HG       PRO  15  -4.229  19.184  -0.759
  101   2HG   PRO  15          1HG       PRO  15  -4.867  18.871  -2.383
  102   1HD   PRO  15          2HD       PRO  15  -4.124  16.950  -0.236
  103   2HD   PRO  15          1HD       PRO  15  -5.380  16.822  -1.482
  104    HA   PRO  16           HA       PRO  16   1.156  15.452  -3.122
  105   1HB   PRO  16          2HB       PRO  16   1.748  14.819  -5.646
  106   2HB   PRO  16          1HB       PRO  16   0.548  13.897  -4.732
  107   1HG   PRO  16          2HG       PRO  16   0.136  16.009  -6.807
  108   2HG   PRO  16          1HG       PRO  16  -0.747  14.491  -6.561
  109   1HD   PRO  16          2HD       PRO  16  -1.598  16.983  -5.697
  110   2HD   PRO  16          1HD       PRO  16  -2.152  15.434  -5.034
  111    H    LEU  17           H        LEU  17   0.941  18.244  -3.053
  112    HA   LEU  17           HA       LEU  17   2.577  19.441  -5.078
  113   1HB   LEU  17          2HB       LEU  17   0.840  20.691  -3.845
  114   2HB   LEU  17          1HB       LEU  17   1.768  20.501  -2.369
  115    HG   LEU  17           HG       LEU  17   3.654  21.716  -3.691
  116   1HD1  LEU  17          1HD1      LEU  17   2.609  23.410  -5.263
  117   2HD1  LEU  17          2HD1      LEU  17   1.203  22.345  -5.312
  118   3HD1  LEU  17          3HD1      LEU  17   2.772  21.763  -5.872
  119   1HD2  LEU  17          1HD2      LEU  17   2.114  22.508  -1.749
  120   2HD2  LEU  17          2HD2      LEU  17   1.333  23.467  -3.006
  121   3HD2  LEU  17          3HD2      LEU  17   3.048  23.692  -2.665
  122    H    GLY  18           H        GLY  18   4.422  18.012  -4.962
  123   1HA   GLY  18          2HA       GLY  18   6.649  17.736  -4.432
  124   2HA   GLY  18          1HA       GLY  18   6.497  19.080  -3.310
  125    H    ILE  19           H        ILE  19   6.810  15.727  -3.628
  126    HA   ILE  19           HA       ILE  19   6.558  15.427  -0.727
  127    HB   ILE  19           HB       ILE  19   5.583  13.224  -2.520
  128   1HG1  ILE  19          2HG1      ILE  19   3.765  15.322  -1.334
  129   2HG1  ILE  19          1HG1      ILE  19   4.338  15.396  -2.998
  130   1HG2  ILE  19          1HG2      ILE  19   6.116  13.100   0.036
  131   2HG2  ILE  19          2HG2      ILE  19   4.676  12.315  -0.611
  132   3HG2  ILE  19          3HG2      ILE  19   4.540  13.876   0.198
  133   1HD1  ILE  19          1HD1      ILE  19   3.333  12.820  -2.690
  134   2HD1  ILE  19          2HD1      ILE  19   2.595  14.165  -3.561
  135   3HD1  ILE  19          3HD1      ILE  19   2.181  13.875  -1.871
  136    H    CYS  20           H        CYS  20   6.966  12.382  -1.700
  137    HA   CYS  20           HA       CYS  20   9.854  12.552  -1.458
  138   1HB   CYS  20          2HB       CYS  20   9.827  10.358  -0.714
  139   2HB   CYS  20          1HB       CYS  20   8.264  10.936  -0.156
  140    H    LYS  21           H        LYS  21  10.611  10.204  -2.738
  141    HA   LYS  21           HA       LYS  21   9.995  10.771  -5.562
  142   1HB   LYS  21          2HB       LYS  21  12.394  11.315  -4.402
  143   2HB   LYS  21          1HB       LYS  21  12.672   9.676  -4.968
  144   1HG   LYS  21          2HG       LYS  21  11.643  11.886  -6.729
  145   2HG   LYS  21          1HG       LYS  21  13.354  11.488  -6.550
  146   1HD   LYS  21          2HD       LYS  21  12.959   9.254  -7.392
  147   2HD   LYS  21          1HD       LYS  21  11.222   9.558  -7.465
  148   1HE   LYS  21          2HE       LYS  21  11.401  10.923  -9.306
  149   2HE   LYS  21          1HE       LYS  21  13.065  11.375  -8.940
  150   1HZ   LYS  21          1HZ       LYS  21  13.884   9.569  -9.995
  151   2HZ   LYS  21          2HZ       LYS  21  12.436   9.681 -10.860
  152   3HZ   LYS  21          3HZ       LYS  21  12.576   8.576  -9.588
  153    H    THR  22           H        THR  22   8.390   9.034  -5.074
  154    HA   THR  22           HA       THR  22   7.664   6.871  -5.054
  155    HB   THR  22           HB       THR  22   8.319   7.227  -7.383
  156    HG1  THR  22           1HG      THR  22   8.009   5.179  -7.859
  157   1HG2  THR  22          1HG2      THR  22  10.642   7.615  -7.336
  158   2HG2  THR  22          2HG2      THR  22  10.407   6.090  -8.190
  159   3HG2  THR  22          3HG2      THR  22  10.953   6.085  -6.514
  160    H    LEU  23           H        LEU  23   8.860   4.426  -5.399
  161    HA   LEU  23           HA       LEU  23  11.172   4.008  -3.849
  162   1HB   LEU  23          2HB       LEU  23   8.878   4.521  -2.336
  163   2HB   LEU  23          1HB       LEU  23   9.169   2.800  -2.221
  164    HG   LEU  23           HG       LEU  23  11.661   3.713  -1.748
  165   1HD1  LEU  23          1HD1      LEU  23   9.771   5.908  -1.070
  166   2HD1  LEU  23          2HD1      LEU  23  11.425   5.986  -1.675
  167   3HD1  LEU  23          3HD1      LEU  23  11.122   5.586   0.016
  168   1HD2  LEU  23          1HD2      LEU  23  10.828   3.656   0.753
  169   2HD2  LEU  23          2HD2      LEU  23  10.886   2.191  -0.228
  170   3HD2  LEU  23          3HD2      LEU  23   9.355   3.036   0.006
  171    H    CYS  24           H        CYS  24   7.999   2.474  -4.375
  172    HA   CYS  24           HA       CYS  24   9.404   0.014  -5.150
  173   1HB   CYS  24          2HB       CYS  24   7.292  -1.143  -4.752
  174   2HB   CYS  24          1HB       CYS  24   7.759  -0.211  -3.334
  175    H    ASN  25           H        ASN  25   8.533  -1.227  -6.950
  176    HA   ASN  25           HA       ASN  25   7.487   0.532  -9.065
  177   1HB   ASN  25          2HB       ASN  25   9.565  -1.581  -9.039
  178   2HB   ASN  25          1HB       ASN  25   8.521  -1.538 -10.457
  179   1HD2  ASN  25          1HD2      ASN  25   8.484   0.349 -11.741
  180   2HD2  ASN  25          2HD2      ASN  25   9.807   1.459 -11.728
  181    H    SER  26           H        SER  26   6.788  -2.169  -7.132
  182    HA   SER  26           HA       SER  26   4.218  -2.506  -8.072
  183   1HB   SER  26          2HB       SER  26   5.134  -3.426 -10.112
  184   2HB   SER  26          1HB       SER  26   6.168  -4.524  -9.198
  185    HG   SER  26           HG       SER  26   3.385  -4.608  -9.589
  186    H    ASP  27           H        ASP  27   3.386  -4.847  -7.404
  187    HA   ASP  27           HA       ASP  27   3.496  -5.042  -4.674
  188   1HB   ASP  27          2HB       ASP  27   2.030  -6.261  -6.523
  189   2HB   ASP  27          1HB       ASP  27   3.160  -7.565  -6.193
  190    H    SER  28           H        SER  28   5.383  -6.934  -7.013
  191    HA   SER  28           HA       SER  28   6.826  -8.414  -5.092
  192   1HB   SER  28          2HB       SER  28   8.371  -8.930  -6.955
  193   2HB   SER  28          1HB       SER  28   6.683  -9.133  -7.425
  194    HG   SER  28           HG       SER  28   7.289  -7.891  -9.024
  195    H    GLY  29           H        GLY  29   7.091  -5.168  -6.185
  196   1HA   GLY  29          2HA       GLY  29   9.851  -4.782  -5.595
  197   2HA   GLY  29          1HA       GLY  29   8.663  -3.520  -5.848
  198    H    CYS  30           H        CYS  30   6.870  -4.160  -3.842
  199    HA   CYS  30           HA       CYS  30   8.169  -2.990  -1.592
  200   1HB   CYS  30          2HB       CYS  30   5.401  -3.973  -2.115
  201   2HB   CYS  30          1HB       CYS  30   5.882  -3.515  -0.488
  202    HA   PRO  31           HA       PRO  31   9.328  -6.684   0.412
  203   1HB   PRO  31          2HB       PRO  31  10.300  -5.673   2.686
  204   2HB   PRO  31          1HB       PRO  31  11.080  -5.359   1.130
  205   1HG   PRO  31          2HG       PRO  31   9.303  -3.593   2.750
  206   2HG   PRO  31          1HG       PRO  31  10.729  -3.172   1.787
  207   1HD   PRO  31          2HD       PRO  31   8.072  -2.893   0.974
  208   2HD   PRO  31          1HD       PRO  31   9.488  -2.886  -0.095
  209    H    ASN  32           H        ASN  32   9.270  -7.454   2.912
  210    HA   ASN  32           HA       ASN  32   7.961  -8.488   4.445
  211   1HB   ASN  32          2HB       ASN  32   6.806  -5.698   4.468
  212   2HB   ASN  32          1HB       ASN  32   6.361  -6.935   5.639
  213   1HD2  ASN  32          1HD2      ASN  32   8.846  -4.791   4.538
  214   2HD2  ASN  32          2HD2      ASN  32   9.899  -4.982   5.895
  215    H    VAL  33           H        VAL  33   5.153  -6.554   3.782
  216    HA   VAL  33           HA       VAL  33   3.988  -8.540   2.024
  217    HB   VAL  33           HB       VAL  33   1.938  -8.559   3.542
  218   1HG1  VAL  33          1HG1      VAL  33   2.877 -10.451   4.892
  219   2HG1  VAL  33          2HG1      VAL  33   4.460 -10.042   4.229
  220   3HG1  VAL  33          3HG1      VAL  33   3.161 -10.561   3.155
  221   1HG2  VAL  33          1HG2      VAL  33   4.037  -7.635   5.483
  222   2HG2  VAL  33          2HG2      VAL  33   2.541  -8.423   5.984
  223   3HG2  VAL  33          3HG2      VAL  33   2.482  -6.883   5.128
  224    H    GLN  34           H        GLN  34   4.702  -5.551   2.301
  225    HA   GLN  34           HA       GLN  34   2.150  -4.249   2.015
  226   1HB   GLN  34          2HB       GLN  34   4.998  -3.321   1.929
  227   2HB   GLN  34          1HB       GLN  34   3.650  -2.257   1.556
  228   1HG   GLN  34          2HG       GLN  34   2.711  -3.083   3.823
  229   2HG   GLN  34          1HG       GLN  34   4.380  -3.534   4.137
  230   1HE2  GLN  34          1HE2      GLN  34   5.595  -1.410   2.722
  231   2HE2  GLN  34          2HE2      GLN  34   5.305   0.045   3.601
  232    H    LYS  35           H        LYS  35   1.282  -3.422   0.143
  233    HA   LYS  35           HA       LYS  35   2.280  -4.562  -2.322
  234   1HB   LYS  35          2HB       LYS  35  -0.273  -3.530  -1.298
  235   2HB   LYS  35          1HB       LYS  35   0.046  -3.129  -2.974
  236   1HG   LYS  35          2HG       LYS  35  -1.243  -5.206  -2.713
  237   2HG   LYS  35          1HG       LYS  35   0.301  -5.461  -3.532
  238   1HD   LYS  35          2HD       LYS  35   1.288  -6.336  -1.530
  239   2HD   LYS  35          1HD       LYS  35  -0.136  -5.902  -0.583
  240   1HE   LYS  35          2HE       LYS  35  -1.423  -7.450  -2.167
  241   2HE   LYS  35          1HE       LYS  35   0.162  -8.055  -2.648
  242   1HZ   LYS  35          1HZ       LYS  35  -1.320  -8.513  -0.216
  243   2HZ   LYS  35          2HZ       LYS  35   0.313  -8.149   0.034
  244   3HZ   LYS  35          3HZ       LYS  35  -0.122  -9.457  -0.948
  245    H    CYS  36           H        CYS  36   1.950  -3.010  -4.304
  246    HA   CYS  36           HA       CYS  36   3.291  -0.476  -3.638
  247   1HB   CYS  36          2HB       CYS  36   4.601  -2.170  -4.988
  248   2HB   CYS  36          1HB       CYS  36   3.439  -1.922  -6.286
  249    H    CYS  37           H        CYS  37   1.566   0.885  -3.479
  250    HA   CYS  37           HA       CYS  37   0.024   1.304  -5.946
  251   1HB   CYS  37          2HB       CYS  37  -1.086   0.186  -3.737
  252   2HB   CYS  37          1HB       CYS  37  -1.371   1.890  -3.412
  253    H    LYS  38           H        LYS  38  -1.392   3.467  -5.378
  254    HA   LYS  38           HA       LYS  38   0.663   5.503  -4.965
  255   1HB   LYS  38          2HB       LYS  38  -0.879   5.440  -7.005
  256   2HB   LYS  38          1HB       LYS  38  -2.156   5.972  -5.919
  257   1HG   LYS  38          2HG       LYS  38  -0.915   7.990  -5.404
  258   2HG   LYS  38          1HG       LYS  38   0.419   7.450  -6.426
  259   1HD   LYS  38          2HD       LYS  38  -0.687   7.928  -8.357
  260   2HD   LYS  38          1HD       LYS  38  -2.270   7.563  -7.666
  261   1HE   LYS  38          2HE       LYS  38  -1.611   9.737  -6.220
  262   2HE   LYS  38          1HE       LYS  38  -0.755  10.095  -7.720
  263   1HZ   LYS  38          1HZ       LYS  38  -2.739  10.942  -8.300
  264   2HZ   LYS  38          2HZ       LYS  38  -3.607  10.003  -7.192
  265   3HZ   LYS  38          3HZ       LYS  38  -3.122   9.334  -8.668
  266    H    ASN  39           H        ASN  39  -0.445   4.077  -2.695
  267    HA   ASN  39           HA       ASN  39  -1.758   6.321  -1.308
  268   1HB   ASN  39          2HB       ASN  39  -2.462   3.491  -1.454
  269   2HB   ASN  39          1HB       ASN  39  -2.323   4.065   0.205
  270   1HD2  ASN  39          1HD2      ASN  39  -3.788   5.522   0.992
  271   2HD2  ASN  39          2HD2      ASN  39  -5.222   5.974   0.141
  272    H    GLY  40           H        GLY  40   0.524   6.990  -0.970
  273   1HA   GLY  40          2HA       GLY  40   1.360   6.403   1.653
  274   2HA   GLY  40          1HA       GLY  40   2.366   5.502   0.528
  275    H    CYS  41           H        CYS  41   2.558   7.321  -1.556
  276    HA   CYS  41           HA       CYS  41   3.817   9.667  -0.307
  277   1HB   CYS  41          2HB       CYS  41   5.602   8.126  -0.862
  278   2HB   CYS  41          1HB       CYS  41   4.976   7.927  -2.494
  279    H    GLY  42           H        GLY  42   3.584   8.603  -3.692
  280   1HA   GLY  42          2HA       GLY  42   1.429  10.308  -4.379
  281   2HA   GLY  42          1HA       GLY  42   2.953  11.116  -4.715
  282    H    PHE  43           H        PHE  43   4.444   8.836  -5.511
  283    HA   PHE  43           HA       PHE  43   3.271   8.450  -8.157
  284   1HB   PHE  43          2HB       PHE  43   6.053   7.737  -7.208
  285   2HB   PHE  43          1HB       PHE  43   5.486   7.782  -8.874
  286    HD1  PHE  43           1HD      PHE  43   6.615   9.740  -6.023
  287    HD2  PHE  43           2HD      PHE  43   5.095   9.911  -9.993
  288    HE1  PHE  43           1HE      PHE  43   7.313  12.093  -6.184
  289    HE2  PHE  43           2HE      PHE  43   5.789  12.265 -10.163
  290    HZ   PHE  43           HZ       PHE  43   6.901  13.359  -8.256
  291    H    MET  44           H        MET  44   5.359   6.288  -6.250
  292    HA   MET  44           HA       MET  44   3.306   4.237  -6.229
  293   1HB   MET  44          2HB       MET  44   5.545   4.243  -8.106
  294   2HB   MET  44          1HB       MET  44   5.474   2.778  -7.137
  295   1HG   MET  44          2HG       MET  44   4.090   2.074  -8.744
  296   2HG   MET  44          1HG       MET  44   2.887   3.009  -7.856
  297   1HE   MET  44          1HE       MET  44   1.659   2.626  -9.896
  298   2HE   MET  44          2HE       MET  44   2.507   2.626 -11.442
  299   3HE   MET  44          3HE       MET  44   1.449   3.971 -11.018
  300    H    THR  45           H        THR  45   3.432   4.428  -3.973
  301    HA   THR  45           HA       THR  45   5.970   3.563  -2.760
  302    HB   THR  45           HB       THR  45   4.369   4.399  -0.674
  303    HG1  THR  45           1HG      THR  45   3.963   6.153  -2.865
  304   1HG2  THR  45          1HG2      THR  45   6.106   6.333  -2.156
  305   2HG2  THR  45          2HG2      THR  45   6.784   4.986  -1.241
  306   3HG2  THR  45          3HG2      THR  45   5.810   6.207  -0.422
  307    H    CYS  46           H        CYS  46   5.321   2.535  -0.426
  308    HA   CYS  46           HA       CYS  46   3.876   0.123  -1.147
  309   1HB   CYS  46          2HB       CYS  46   5.609   0.820   1.220
  310   2HB   CYS  46          1HB       CYS  46   4.753  -0.708   1.068
  311    H    THR  47           H        THR  47   2.151  -0.707  -0.001
  312    HA   THR  47           HA       THR  47   0.909   0.995   2.028
  313    HB   THR  47           HB       THR  47  -0.067   1.617  -0.163
  314    HG1  THR  47           1HG      THR  47  -2.018   1.738   0.678
  315   1HG2  THR  47          1HG2      THR  47  -0.365   0.010  -1.668
  316   2HG2  THR  47          2HG2      THR  47  -1.832  -0.379  -0.770
  317   3HG2  THR  47          3HG2      THR  47  -0.340  -1.263  -0.449
  318    H    THR  48           H        THR  48  -1.339  -0.266   2.598
  319    HA   THR  48           HA       THR  48  -0.421  -2.798   3.654
  320    HB   THR  48           HB       THR  48  -3.049  -1.370   4.021
  321    HG1  THR  48           1HG      THR  48  -2.090  -0.268   5.515
  322   1HG2  THR  48          1HG2      THR  48  -1.984  -3.320   5.985
  323   2HG2  THR  48          2HG2      THR  48  -2.813  -3.924   4.550
  324   3HG2  THR  48          3HG2      THR  48  -3.648  -2.834   5.658
  325    HA   PRO  49           HA       PRO  49  -2.350  -5.203   0.450
  326   1HB   PRO  49          2HB       PRO  49  -2.257  -7.629   1.632
  327   2HB   PRO  49          1HB       PRO  49  -0.812  -6.830   1.004
  328   1HG   PRO  49          2HG       PRO  49  -1.819  -6.979   3.819
  329   2HG   PRO  49          1HG       PRO  49  -0.165  -7.182   3.213
  330   1HD   PRO  49          2HD       PRO  49  -1.051  -4.869   4.326
  331   2HD   PRO  49          1HD       PRO  49   0.192  -4.914   3.060
  332    H    VAL  50           H        VAL  50  -4.446  -5.398  -0.038
  333    HA   VAL  50           HA       VAL  50  -6.347  -5.885   2.159
  334    HB   VAL  50           HB       VAL  50  -6.615  -3.711   1.006
  335   1HG1  VAL  50          1HG1      VAL  50  -7.792  -4.883  -1.406
  336   2HG1  VAL  50          2HG1      VAL  50  -6.043  -5.068  -1.284
  337   3HG1  VAL  50          3HG1      VAL  50  -6.766  -3.461  -1.216
  338   1HG2  VAL  50          1HG2      VAL  50  -8.541  -4.681   2.064
  339   2HG2  VAL  50          2HG2      VAL  50  -8.855  -5.698   0.659
  340   3HG2  VAL  50          3HG2      VAL  50  -9.045  -3.949   0.541
  341    HA   PRO  51           HA       PRO  51  -7.242  -9.788   0.232
  342   1HB   PRO  51          2HB       PRO  51  -9.593 -10.326   1.482
  343   2HB   PRO  51          1HB       PRO  51  -8.023 -10.481   2.279
  344   1HG   PRO  51          2HG       PRO  51 -10.009  -8.245   2.422
  345   2HG   PRO  51          1HG       PRO  51  -9.072  -8.994   3.728
  346   1HD   PRO  51          2HD       PRO  51  -8.365  -6.639   2.603
  347   2HD   PRO  51          1HD       PRO  51  -7.168  -7.797   3.221
  Start of MODEL   19
    1   1H    ASN   1          1HT       ASN   1   5.357 -10.896 -10.382
    2   2H    ASN   1          2HT       ASN   1   4.620 -12.361  -9.875
    3   3H    ASN   1          3HT       ASN   1   4.922 -11.111  -8.738
    4    HA   ASN   1           HA       ASN   1   3.401  -9.683  -9.906
    5   1HB   ASN   1          2HB       ASN   1   3.842 -11.329 -12.007
    6   2HB   ASN   1          1HB       ASN   1   2.309 -11.978 -11.430
    7   1HD2  ASN   1          1HD2      ASN   1   1.226 -11.281 -13.266
    8   2HD2  ASN   1          2HD2      ASN   1   0.852  -9.617 -13.539
    9    H    GLU   2           H        GLU   2   1.677  -9.427  -8.632
   10    HA   GLU   2           HA       GLU   2   0.031  -9.846  -7.119
   11   1HB   GLU   2          2HB       GLU   2  -0.064 -12.272  -8.867
   12   2HB   GLU   2          1HB       GLU   2  -1.034 -12.238  -7.400
   13   1HG   GLU   2          2HG       GLU   2  -1.970 -10.042  -8.231
   14   2HG   GLU   2          1HG       GLU   2  -1.195 -10.407  -9.772
   15    H    LYS   3           H        LYS   3   0.693  -9.945  -5.080
   16    HA   LYS   3           HA       LYS   3   2.417 -12.113  -4.192
   17   1HB   LYS   3          2HB       LYS   3   2.164  -9.402  -3.529
   18   2HB   LYS   3          1HB       LYS   3   1.611 -10.276  -2.109
   19   1HG   LYS   3          2HG       LYS   3   3.747 -11.614  -2.253
   20   2HG   LYS   3          1HG       LYS   3   4.290 -10.444  -3.457
   21   1HD   LYS   3          2HD       LYS   3   3.214  -9.314  -0.953
   22   2HD   LYS   3          1HD       LYS   3   4.739 -10.192  -0.809
   23   1HE   LYS   3          2HE       LYS   3   5.009  -8.596  -3.090
   24   2HE   LYS   3          1HE       LYS   3   4.222  -7.569  -1.892
   25   1HZ   LYS   3          1HZ       LYS   3   6.444  -7.254  -1.447
   26   2HZ   LYS   3          2HZ       LYS   3   6.866  -8.859  -1.776
   27   3HZ   LYS   3          3HZ       LYS   3   6.057  -8.475  -0.341
   28    H    SER   4           H        SER   4  -0.686 -10.654  -3.245
   29    HA   SER   4           HA       SER   4  -1.777 -13.224  -2.574
   30   1HB   SER   4          2HB       SER   4  -0.558 -12.865  -0.518
   31   2HB   SER   4          1HB       SER   4  -1.204 -11.230  -0.371
   32    HG   SER   4           HG       SER   4  -2.217 -13.310   0.712
   33    H    GLY   5           H        GLY   5  -2.402  -9.912  -1.401
   34   1HA   GLY   5          2HA       GLY   5  -5.163 -10.167  -2.326
   35   2HA   GLY   5          1HA       GLY   5  -4.546  -8.942  -1.231
   36    H    SER   6           H        SER   6  -4.991  -7.067  -2.167
   37    HA   SER   6           HA       SER   6  -3.735  -6.462  -4.708
   38   1HB   SER   6          2HB       SER   6  -6.423  -7.167  -4.686
   39   2HB   SER   6          1HB       SER   6  -6.453  -5.404  -4.695
   40    HG   SER   6           HG       SER   6  -4.855  -5.645  -6.477
   41    H    CYS   7           H        CYS   7  -4.943  -4.000  -5.141
   42    HA   CYS   7           HA       CYS   7  -3.717  -2.441  -3.024
   43   1HB   CYS   7          2HB       CYS   7  -3.189  -1.835  -5.311
   44   2HB   CYS   7          1HB       CYS   7  -4.896  -1.651  -5.695
   45    HA   PRO   8           HA       PRO   8  -7.478  -1.526  -0.863
   46   1HB   PRO   8          2HB       PRO   8  -6.285   1.142  -0.362
   47   2HB   PRO   8          1HB       PRO   8  -6.857  -0.070   0.790
   48   1HG   PRO   8          2HG       PRO   8  -4.248   0.359   0.435
   49   2HG   PRO   8          1HG       PRO   8  -4.882  -1.276   0.707
   50   1HD   PRO   8          2HD       PRO   8  -4.001   0.018  -1.844
   51   2HD   PRO   8          1HD       PRO   8  -3.748  -1.646  -1.279
   52    H    ASP   9           H        ASP   9  -9.243   0.075  -0.820
   53    HA   ASP   9           HA       ASP   9  -9.471   1.443  -3.415
   54   1HB   ASP   9          2HB       ASP   9 -11.412  -0.038  -1.710
   55   2HB   ASP   9          1HB       ASP   9 -12.022   1.331  -2.634
   56    H    MET  10           H        MET  10  -8.089   2.912  -1.705
   57    HA   MET  10           HA       MET  10  -9.977   4.754  -0.414
   58   1HB   MET  10          2HB       MET  10  -7.688   3.660   0.582
   59   2HB   MET  10          1HB       MET  10  -7.088   5.195  -0.030
   60   1HG   MET  10          2HG       MET  10  -8.220   6.412   1.507
   61   2HG   MET  10          1HG       MET  10  -9.558   5.268   1.593
   62   1HE   MET  10          1HE       MET  10  -5.550   4.987   2.347
   63   2HE   MET  10          2HE       MET  10  -5.728   5.317   4.071
   64   3HE   MET  10          3HE       MET  10  -6.278   6.501   2.885
   65    H    SER  11           H        SER  11  -8.514   7.058  -0.353
   66    HA   SER  11           HA       SER  11  -8.058   8.940  -1.542
   67   1HB   SER  11          2HB       SER  11  -6.103   7.714  -2.331
   68   2HB   SER  11          1HB       SER  11  -7.066   6.946  -3.594
   69    HG   SER  11           HG       SER  11  -6.805   8.655  -4.775
   70    H    MET  12           H        MET  12  -8.470   9.993  -3.818
   71    HA   MET  12           HA       MET  12 -10.448   9.016  -5.524
   72   1HB   MET  12          2HB       MET  12 -11.560   9.649  -3.076
   73   2HB   MET  12          1HB       MET  12 -11.861  11.095  -4.030
   74   1HG   MET  12          2HG       MET  12 -12.707   9.400  -5.816
   75   2HG   MET  12          1HG       MET  12 -12.858   8.318  -4.434
   76   1HE   MET  12          1HE       MET  12 -15.186  11.015  -6.383
   77   2HE   MET  12          2HE       MET  12 -13.555  11.568  -5.999
   78   3HE   MET  12          3HE       MET  12 -14.944  12.274  -5.172
   79    HA   PRO  13           HA       PRO  13  -9.999  13.868  -6.043
   80   1HB   PRO  13          2HB       PRO  13  -7.748  14.361  -4.180
   81   2HB   PRO  13          1HB       PRO  13  -9.192  15.333  -4.482
   82   1HG   PRO  13          2HG       PRO  13  -8.930  13.927  -2.229
   83   2HG   PRO  13          1HG       PRO  13 -10.500  14.080  -3.040
   84   1HD   PRO  13          2HD       PRO  13  -8.585  11.780  -3.030
   85   2HD   PRO  13          1HD       PRO  13 -10.358  11.771  -2.941
   86    H    ILE  14           H        ILE  14  -8.318  15.066  -7.227
   87    HA   ILE  14           HA       ILE  14  -6.087  13.316  -8.035
   88    HB   ILE  14           HB       ILE  14  -7.493  15.302  -9.821
   89   1HG1  ILE  14          2HG1      ILE  14  -7.780  12.291  -9.805
   90   2HG1  ILE  14          1HG1      ILE  14  -8.967  13.400  -9.124
   91   1HG2  ILE  14          1HG2      ILE  14  -5.058  14.592 -10.221
   92   2HG2  ILE  14          2HG2      ILE  14  -6.189  14.478 -11.569
   93   3HG2  ILE  14          3HG2      ILE  14  -5.736  13.028 -10.673
   94   1HD1  ILE  14          1HD1      ILE  14  -9.031  14.448 -11.459
   95   2HD1  ILE  14          2HD1      ILE  14  -9.806  12.881 -11.224
   96   3HD1  ILE  14          3HD1      ILE  14  -8.220  12.974 -11.989
   97    HA   PRO  15           HA       PRO  15  -4.412  17.381  -6.455
   98   1HB   PRO  15          2HB       PRO  15  -2.577  16.319  -4.775
   99   2HB   PRO  15          1HB       PRO  15  -4.256  16.598  -4.297
  100   1HG   PRO  15          2HG       PRO  15  -2.938  14.061  -5.186
  101   2HG   PRO  15          1HG       PRO  15  -4.073  14.322  -3.849
  102   1HD   PRO  15          2HD       PRO  15  -4.838  13.309  -6.247
  103   2HD   PRO  15          1HD       PRO  15  -5.910  14.302  -5.238
  104    HA   PRO  16           HA       PRO  16  -1.232  16.644  -9.604
  105   1HB   PRO  16          2HB       PRO  16  -0.692  19.262 -10.064
  106   2HB   PRO  16          1HB       PRO  16  -2.091  18.435 -10.760
  107   1HG   PRO  16          2HG       PRO  16  -1.947  20.214  -8.357
  108   2HG   PRO  16          1HG       PRO  16  -3.157  20.181  -9.653
  109   1HD   PRO  16          2HD       PRO  16  -3.579  19.032  -7.240
  110   2HD   PRO  16          1HD       PRO  16  -4.269  18.379  -8.739
  111    H    LEU  17           H        LEU  17  -1.017  18.583  -6.697
  112    HA   LEU  17           HA       LEU  17   1.774  19.060  -6.772
  113   1HB   LEU  17          2HB       LEU  17  -0.101  20.148  -5.325
  114   2HB   LEU  17          1HB       LEU  17   0.226  18.830  -4.218
  115    HG   LEU  17           HG       LEU  17   1.416  20.934  -3.649
  116   1HD1  LEU  17          1HD1      LEU  17   2.300  18.372  -3.475
  117   2HD1  LEU  17          2HD1      LEU  17   3.102  19.764  -2.748
  118   3HD1  LEU  17          3HD1      LEU  17   3.644  19.149  -4.309
  119   1HD2  LEU  17          1HD2      LEU  17   1.846  21.235  -6.279
  120   2HD2  LEU  17          2HD2      LEU  17   3.380  20.504  -5.811
  121   3HD2  LEU  17          3HD2      LEU  17   2.845  21.997  -5.041
  122    H    GLY  18           H        GLY  18   3.481  17.955  -5.899
  123   1HA   GLY  18          2HA       GLY  18   3.383  15.166  -5.800
  124   2HA   GLY  18          1HA       GLY  18   4.691  16.148  -5.168
  125    H    ILE  19           H        ILE  19   4.722  16.692  -2.993
  126    HA   ILE  19           HA       ILE  19   4.294  16.537  -0.773
  127    HB   ILE  19           HB       ILE  19   1.757  16.591  -1.845
  128   1HG1  ILE  19          2HG1      ILE  19   2.874  16.699   0.930
  129   2HG1  ILE  19          1HG1      ILE  19   2.258  18.007  -0.071
  130   1HG2  ILE  19          1HG2      ILE  19   1.672  14.379   0.182
  131   2HG2  ILE  19          2HG2      ILE  19   1.764  14.052  -1.548
  132   3HG2  ILE  19          3HG2      ILE  19   0.394  14.945  -0.891
  133   1HD1  ILE  19          1HD1      ILE  19  -0.019  17.199   0.269
  134   2HD1  ILE  19          2HD1      ILE  19   0.780  17.560   1.799
  135   3HD1  ILE  19          3HD1      ILE  19   0.598  15.887   1.273
  136    H    CYS  20           H        CYS  20   4.974  14.129  -2.754
  137    HA   CYS  20           HA       CYS  20   5.628  12.326  -0.618
  138   1HB   CYS  20          2HB       CYS  20   4.474  10.379  -1.906
  139   2HB   CYS  20          1HB       CYS  20   3.513  11.383  -0.827
  140    H    LYS  21           H        LYS  21   6.544  10.187  -1.700
  141    HA   LYS  21           HA       LYS  21   7.931  10.824  -4.197
  142   1HB   LYS  21          2HB       LYS  21   9.373  11.514  -2.261
  143   2HB   LYS  21          1HB       LYS  21   9.392   9.833  -1.744
  144   1HG   LYS  21          2HG       LYS  21  10.571   9.158  -3.691
  145   2HG   LYS  21          1HG       LYS  21  10.344  10.736  -4.449
  146   1HD   LYS  21          2HD       LYS  21  12.054  11.666  -3.313
  147   2HD   LYS  21          1HD       LYS  21  11.668  10.799  -1.825
  148   1HE   LYS  21          2HE       LYS  21  12.845   8.890  -2.497
  149   2HE   LYS  21          1HE       LYS  21  12.872   9.395  -4.186
  150   1HZ   LYS  21          1HZ       LYS  21  14.592  10.209  -1.974
  151   2HZ   LYS  21          2HZ       LYS  21  14.214  11.391  -3.123
  152   3HZ   LYS  21          3HZ       LYS  21  14.971   9.957  -3.604
  153    H    THR  22           H        THR  22   8.825   8.974  -5.273
  154    HA   THR  22           HA       THR  22   7.284   6.568  -4.744
  155    HB   THR  22           HB       THR  22   7.364   7.377  -7.029
  156    HG1  THR  22           1HG      THR  22   8.095   5.446  -8.010
  157   1HG2  THR  22          1HG2      THR  22   9.428   7.262  -8.351
  158   2HG2  THR  22          2HG2      THR  22  10.338   6.955  -6.871
  159   3HG2  THR  22          3HG2      THR  22   9.499   8.492  -7.089
  160    H    LEU  23           H        LEU  23   8.116   4.596  -4.198
  161    HA   LEU  23           HA       LEU  23  11.006   4.450  -3.697
  162   1HB   LEU  23          2HB       LEU  23   8.938   4.428  -1.784
  163   2HB   LEU  23          1HB       LEU  23   9.638   2.825  -1.830
  164    HG   LEU  23           HG       LEU  23  10.735   4.143  -0.129
  165   1HD1  LEU  23          1HD1      LEU  23  12.832   4.166  -2.207
  166   2HD1  LEU  23          2HD1      LEU  23  11.997   2.635  -1.948
  167   3HD1  LEU  23          3HD1      LEU  23  12.824   3.427  -0.606
  168   1HD2  LEU  23          1HD2      LEU  23  10.625   6.362  -0.557
  169   2HD2  LEU  23          2HD2      LEU  23  10.825   6.151  -2.296
  170   3HD2  LEU  23          3HD2      LEU  23  12.229   6.072  -1.232
  171    H    CYS  24           H        CYS  24   8.017   2.671  -4.288
  172    HA   CYS  24           HA       CYS  24   9.622   0.362  -5.161
  173   1HB   CYS  24          2HB       CYS  24   7.529  -0.951  -4.879
  174   2HB   CYS  24          1HB       CYS  24   8.090  -0.219  -3.380
  175    H    ASN  25           H        ASN  25   8.435  -0.958  -6.904
  176    HA   ASN  25           HA       ASN  25   7.164   0.813  -8.872
  177   1HB   ASN  25          2HB       ASN  25   8.523  -0.366 -10.651
  178   2HB   ASN  25          1HB       ASN  25   9.426   0.730  -9.611
  179   1HD2  ASN  25          1HD2      ASN  25   8.534  -2.672  -9.968
  180   2HD2  ASN  25          2HD2      ASN  25  10.009  -3.307  -9.330
  181    H    SER  26           H        SER  26   6.660  -1.748  -7.020
  182    HA   SER  26           HA       SER  26   4.437  -2.718  -8.256
  183   1HB   SER  26          2HB       SER  26   5.593  -3.593 -10.119
  184   2HB   SER  26          1HB       SER  26   6.914  -4.199  -9.121
  185    HG   SER  26           HG       SER  26   5.763  -5.920  -8.613
  186    H    ASP  27           H        ASP  27   3.809  -4.977  -7.437
  187    HA   ASP  27           HA       ASP  27   3.914  -5.021  -4.668
  188   1HB   ASP  27          2HB       ASP  27   2.434  -6.327  -6.463
  189   2HB   ASP  27          1HB       ASP  27   3.571  -7.608  -6.070
  190    H    SER  28           H        SER  28   5.736  -7.033  -6.964
  191    HA   SER  28           HA       SER  28   7.220  -8.455  -5.061
  192   1HB   SER  28          2HB       SER  28   8.597  -9.165  -6.858
  193   2HB   SER  28          1HB       SER  28   6.999  -8.925  -7.565
  194    HG   SER  28           HG       SER  28   8.469  -7.934  -8.897
  195    H    GLY  29           H        GLY  29   7.498  -5.210  -6.203
  196   1HA   GLY  29          2HA       GLY  29  10.240  -4.855  -5.447
  197   2HA   GLY  29          1HA       GLY  29   9.123  -3.590  -5.919
  198    H    CYS  30           H        CYS  30   7.139  -4.375  -3.943
  199    HA   CYS  30           HA       CYS  30   8.101  -2.811  -1.768
  200   1HB   CYS  30          2HB       CYS  30   5.558  -4.151  -2.464
  201   2HB   CYS  30          1HB       CYS  30   5.828  -3.787  -0.765
  202    HA   PRO  31           HA       PRO  31   9.857  -5.932   0.703
  203   1HB   PRO  31          2HB       PRO  31   9.368  -4.329   3.088
  204   2HB   PRO  31          1HB       PRO  31  10.898  -4.701   2.292
  205   1HG   PRO  31          2HG       PRO  31   9.784  -2.223   2.281
  206   2HG   PRO  31          1HG       PRO  31  10.817  -2.829   0.974
  207   1HD   PRO  31          2HD       PRO  31   7.834  -2.623   1.094
  208   2HD   PRO  31          1HD       PRO  31   8.937  -2.301  -0.260
  209    H    ASN  32           H        ASN  32   9.473  -7.060   2.885
  210    HA   ASN  32           HA       ASN  32   8.180  -8.611   3.936
  211   1HB   ASN  32          2HB       ASN  32   6.689  -6.027   4.337
  212   2HB   ASN  32          1HB       ASN  32   6.163  -7.525   5.100
  213   1HD2  ASN  32          1HD2      ASN  32   8.658  -5.106   4.946
  214   2HD2  ASN  32          2HD2      ASN  32   9.438  -5.529   6.427
  215    H    VAL  33           H        VAL  33   5.222  -6.908   3.174
  216    HA   VAL  33           HA       VAL  33   4.573  -8.671   0.979
  217    HB   VAL  33           HB       VAL  33   2.387  -9.238   2.175
  218   1HG1  VAL  33          1HG1      VAL  33   4.747 -10.651   3.344
  219   2HG1  VAL  33          2HG1      VAL  33   4.405 -10.741   1.616
  220   3HG1  VAL  33          3HG1      VAL  33   3.215 -11.321   2.782
  221   1HG2  VAL  33          1HG2      VAL  33   3.847  -9.265   4.724
  222   2HG2  VAL  33          2HG2      VAL  33   2.144  -8.946   4.395
  223   3HG2  VAL  33          3HG2      VAL  33   3.342  -7.674   4.153
  224    H    GLN  34           H        GLN  34   4.774  -5.724   1.878
  225    HA   GLN  34           HA       GLN  34   2.155  -4.651   1.646
  226   1HB   GLN  34          2HB       GLN  34   4.920  -3.525   1.626
  227   2HB   GLN  34          1HB       GLN  34   3.535  -2.517   1.241
  228   1HG   GLN  34          2HG       GLN  34   2.570  -3.507   3.451
  229   2HG   GLN  34          1HG       GLN  34   4.264  -3.817   3.805
  230   1HE2  GLN  34          1HE2      GLN  34   5.450  -1.635   2.661
  231   2HE2  GLN  34          2HE2      GLN  34   4.960  -0.206   3.492
  232    H    LYS  35           H        LYS  35   1.153  -3.692  -0.103
  233    HA   LYS  35           HA       LYS  35   2.083  -4.565  -2.696
  234   1HB   LYS  35          2HB       LYS  35  -0.468  -3.732  -1.477
  235   2HB   LYS  35          1HB       LYS  35  -0.248  -3.243  -3.144
  236   1HG   LYS  35          2HG       LYS  35  -1.307  -5.284  -3.348
  237   2HG   LYS  35          1HG       LYS  35   0.395  -5.716  -3.539
  238   1HD   LYS  35          2HD       LYS  35   0.492  -6.329  -1.162
  239   2HD   LYS  35          1HD       LYS  35  -1.218  -5.927  -0.997
  240   1HE   LYS  35          2HE       LYS  35  -1.904  -7.764  -2.193
  241   2HE   LYS  35          1HE       LYS  35  -0.388  -7.885  -3.084
  242   1HZ   LYS  35          1HZ       LYS  35  -1.046  -8.865  -0.398
  243   2HZ   LYS  35          2HZ       LYS  35   0.553  -8.427  -0.731
  244   3HZ   LYS  35          3HZ       LYS  35  -0.201  -9.633  -1.645
  245    H    CYS  36           H        CYS  36   2.415  -3.146  -4.443
  246    HA   CYS  36           HA       CYS  36   3.175  -0.447  -3.598
  247   1HB   CYS  36          2HB       CYS  36   4.853  -1.927  -4.750
  248   2HB   CYS  36          1HB       CYS  36   3.857  -1.834  -6.199
  249    H    CYS  37           H        CYS  37   1.500   0.901  -3.764
  250    HA   CYS  37           HA       CYS  37   0.066   0.998  -6.335
  251   1HB   CYS  37          2HB       CYS  37  -1.098   0.271  -3.990
  252   2HB   CYS  37          1HB       CYS  37  -1.370   2.008  -3.963
  253    H    LYS  38           H        LYS  38  -1.313   3.246  -6.161
  254    HA   LYS  38           HA       LYS  38   0.753   5.267  -6.222
  255   1HB   LYS  38          2HB       LYS  38  -1.108   4.990  -7.948
  256   2HB   LYS  38          1HB       LYS  38  -2.177   5.706  -6.749
  257   1HG   LYS  38          2HG       LYS  38  -0.871   7.735  -6.736
  258   2HG   LYS  38          1HG       LYS  38   0.305   7.017  -7.839
  259   1HD   LYS  38          2HD       LYS  38  -2.224   6.721  -9.049
  260   2HD   LYS  38          1HD       LYS  38  -2.148   8.374  -8.438
  261   1HE   LYS  38          2HE       LYS  38  -1.312   8.256 -10.721
  262   2HE   LYS  38          1HE       LYS  38  -0.024   8.707  -9.604
  263   1HZ   LYS  38          1HZ       LYS  38   0.590   7.008 -11.305
  264   2HZ   LYS  38          2HZ       LYS  38  -0.462   5.928 -10.540
  265   3HZ   LYS  38          3HZ       LYS  38   0.877   6.536  -9.706
  266    H    ASN  39           H        ASN  39  -1.362   4.113  -3.902
  267    HA   ASN  39           HA       ASN  39  -1.889   4.798  -1.801
  268   1HB   ASN  39          2HB       ASN  39   0.594   5.886  -2.255
  269   2HB   ASN  39          1HB       ASN  39  -0.355   7.300  -1.807
  270   1HD2  ASN  39          1HD2      ASN  39  -1.422   7.301   0.231
  271   2HD2  ASN  39          2HD2      ASN  39  -0.822   6.336   1.533
  272    H    GLY  40           H        GLY  40  -1.352   7.947  -3.385
  273   1HA   GLY  40          2HA       GLY  40  -4.096   8.493  -3.815
  274   2HA   GLY  40          1HA       GLY  40  -3.583   9.206  -2.292
  275    H    CYS  41           H        CYS  41  -1.393  10.434  -2.527
  276    HA   CYS  41           HA       CYS  41  -1.829  12.631  -4.190
  277   1HB   CYS  41          2HB       CYS  41   0.575  13.180  -3.592
  278   2HB   CYS  41          1HB       CYS  41  -0.521  12.953  -2.241
  279    H    GLY  42           H        GLY  42   0.367   9.865  -4.542
  280   1HA   GLY  42          2HA       GLY  42   0.247   9.397  -7.173
  281   2HA   GLY  42          1HA       GLY  42   1.278  10.820  -7.130
  282    H    PHE  43           H        PHE  43   2.849   9.358  -8.143
  283    HA   PHE  43           HA       PHE  43   4.742   8.096  -8.078
  284   1HB   PHE  43          2HB       PHE  43   4.537   8.881  -5.171
  285   2HB   PHE  43          1HB       PHE  43   5.888   7.948  -5.805
  286    HD1  PHE  43           1HD      PHE  43   4.939  11.111  -4.898
  287    HD2  PHE  43           2HD      PHE  43   6.833   9.061  -8.111
  288    HE1  PHE  43           1HE      PHE  43   6.062  13.196  -5.563
  289    HE2  PHE  43           2HE      PHE  43   7.959  11.143  -8.782
  290    HZ   PHE  43           HZ       PHE  43   7.575  13.215  -7.506
  291    H    MET  44           H        MET  44   5.774   6.158  -6.626
  292    HA   MET  44           HA       MET  44   3.567   4.249  -6.202
  293   1HB   MET  44          2HB       MET  44   6.107   4.023  -7.717
  294   2HB   MET  44          1HB       MET  44   5.620   2.611  -6.791
  295   1HG   MET  44          2HG       MET  44   3.298   3.235  -8.033
  296   2HG   MET  44          1HG       MET  44   4.477   3.758  -9.234
  297   1HE   MET  44          1HE       MET  44   2.835   1.085 -10.552
  298   2HE   MET  44          2HE       MET  44   2.173   1.693  -9.035
  299   3HE   MET  44          3HE       MET  44   2.629  -0.005  -9.180
  300    H    THR  45           H        THR  45   3.362   3.919  -4.085
  301    HA   THR  45           HA       THR  45   5.811   3.470  -2.507
  302    HB   THR  45           HB       THR  45   4.610   4.408  -0.554
  303    HG1  THR  45           1HG      THR  45   2.663   5.468  -0.880
  304   1HG2  THR  45          1HG2      THR  45   4.357   6.812  -1.502
  305   2HG2  THR  45          2HG2      THR  45   5.070   6.110  -2.954
  306   3HG2  THR  45          3HG2      THR  45   5.948   6.055  -1.425
  307    H    CYS  46           H        CYS  46   5.134   2.341  -0.325
  308    HA   CYS  46           HA       CYS  46   3.665  -0.058  -1.115
  309   1HB   CYS  46          2HB       CYS  46   5.521   0.477   1.205
  310   2HB   CYS  46          1HB       CYS  46   4.688  -1.047   0.938
  311    H    THR  47           H        THR  47   1.964  -0.883   0.032
  312    HA   THR  47           HA       THR  47   0.904   0.675   2.273
  313    HB   THR  47           HB       THR  47  -0.154   1.541   0.218
  314    HG1  THR  47           1HG      THR  47  -2.096   0.032   1.589
  315   1HG2  THR  47          1HG2      THR  47  -0.912  -1.319  -0.182
  316   2HG2  THR  47          2HG2      THR  47  -0.246  -0.165  -1.338
  317   3HG2  THR  47          3HG2      THR  47  -1.921  -0.015  -0.805
  318    H    THR  48           H        THR  48  -1.104  -0.480   3.191
  319    HA   THR  48           HA       THR  48  -0.337  -3.172   3.793
  320    HB   THR  48           HB       THR  48  -2.817  -1.651   4.580
  321    HG1  THR  48           1HG      THR  48  -0.379  -2.021   5.973
  322   1HG2  THR  48          1HG2      THR  48  -2.114  -4.361   5.035
  323   2HG2  THR  48          2HG2      THR  48  -3.514  -3.464   5.622
  324   3HG2  THR  48          3HG2      THR  48  -2.023  -3.486   6.563
  325    HA   PRO  49           HA       PRO  49  -2.448  -5.002   0.270
  326   1HB   PRO  49          2HB       PRO  49  -2.262  -7.377   2.066
  327   2HB   PRO  49          1HB       PRO  49  -1.827  -7.218   0.360
  328   1HG   PRO  49          2HG       PRO  49   0.063  -7.270   2.225
  329   2HG   PRO  49          1HG       PRO  49   0.194  -6.174   0.836
  330   1HD   PRO  49          2HD       PRO  49  -0.550  -5.571   3.664
  331   2HD   PRO  49          1HD       PRO  49   0.390  -4.603   2.512
  332    H    VAL  50           H        VAL  50  -4.563  -5.192  -0.162
  333    HA   VAL  50           HA       VAL  50  -6.403  -5.506   2.113
  334    HB   VAL  50           HB       VAL  50  -6.631  -3.388   0.880
  335   1HG1  VAL  50          1HG1      VAL  50  -5.922  -4.051  -1.317
  336   2HG1  VAL  50          2HG1      VAL  50  -7.572  -3.439  -1.418
  337   3HG1  VAL  50          3HG1      VAL  50  -7.273  -5.176  -1.460
  338   1HG2  VAL  50          1HG2      VAL  50  -9.112  -3.709   0.273
  339   2HG2  VAL  50          2HG2      VAL  50  -8.609  -4.028   1.933
  340   3HG2  VAL  50          3HG2      VAL  50  -8.879  -5.369   0.820
  341    HA   PRO  51           HA       PRO  51  -7.565  -9.435   0.386
  342   1HB   PRO  51          2HB       PRO  51  -9.807  -9.876   1.829
  343   2HB   PRO  51          1HB       PRO  51  -8.190  -9.999   2.531
  344   1HG   PRO  51          2HG       PRO  51 -10.154  -7.743   2.678
  345   2HG   PRO  51          1HG       PRO  51  -9.141  -8.430   3.962
  346   1HD   PRO  51          2HD       PRO  51  -8.502  -6.143   2.643
  347   2HD   PRO  51          1HD       PRO  51  -7.280  -7.253   3.296
  Start of MODEL   20
    1   1H    ASN   1          1HT       ASN   1  -0.735 -12.400 -11.388
    2   2H    ASN   1          2HT       ASN   1   0.631 -12.653 -10.380
    3   3H    ASN   1          3HT       ASN   1   0.819 -12.595 -12.085
    4    HA   ASN   1           HA       ASN   1   1.562 -10.573 -11.271
    5   1HB   ASN   1          2HB       ASN   1  -1.200 -10.547 -12.476
    6   2HB   ASN   1          1HB       ASN   1  -0.317  -9.051 -12.181
    7   1HD2  ASN   1          1HD2      ASN   1   0.785  -8.329 -13.841
    8   2HD2  ASN   1          2HD2      ASN   1   1.448  -9.279 -15.122
    9    H    GLU   2           H        GLU   2   1.326 -11.272  -8.853
   10    HA   GLU   2           HA       GLU   2   0.609  -9.182  -7.322
   11   1HB   GLU   2          2HB       GLU   2  -1.757 -10.641  -8.133
   12   2HB   GLU   2          1HB       GLU   2  -1.589 -10.648  -6.384
   13   1HG   GLU   2          2HG       GLU   2  -2.242  -8.537  -6.232
   14   2HG   GLU   2          1HG       GLU   2  -1.088  -8.021  -7.461
   15    H    LYS   3           H        LYS   3   0.412  -9.711  -4.961
   16    HA   LYS   3           HA       LYS   3   2.107 -12.017  -4.396
   17   1HB   LYS   3          2HB       LYS   3   2.040  -9.420  -3.416
   18   2HB   LYS   3          1HB       LYS   3   1.362 -10.375  -2.105
   19   1HG   LYS   3          2HG       LYS   3   3.337 -11.803  -2.108
   20   2HG   LYS   3          1HG       LYS   3   4.017 -10.865  -3.439
   21   1HD   LYS   3          2HD       LYS   3   3.186  -9.438  -0.959
   22   2HD   LYS   3          1HD       LYS   3   4.684 -10.369  -0.938
   23   1HE   LYS   3          2HE       LYS   3   4.675  -8.874  -3.333
   24   2HE   LYS   3          1HE       LYS   3   4.183  -7.779  -2.042
   25   1HZ   LYS   3          1HZ       LYS   3   6.577  -7.789  -2.316
   26   2HZ   LYS   3          2HZ       LYS   3   6.632  -9.458  -2.049
   27   3HZ   LYS   3          3HZ       LYS   3   6.159  -8.419  -0.801
   28    H    SER   4           H        SER   4  -0.827 -10.554  -2.984
   29    HA   SER   4           HA       SER   4  -1.986 -13.194  -2.651
   30   1HB   SER   4          2HB       SER   4  -1.442 -11.380  -0.290
   31   2HB   SER   4          1HB       SER   4  -2.459 -12.820  -0.237
   32    HG   SER   4           HG       SER   4   0.326 -12.614  -0.566
   33    H    GLY   5           H        GLY   5  -2.476  -9.847  -1.487
   34   1HA   GLY   5          2HA       GLY   5  -5.300 -10.072  -2.242
   35   2HA   GLY   5          1HA       GLY   5  -4.611  -8.857  -1.178
   36    H    SER   6           H        SER   6  -5.065  -6.974  -2.103
   37    HA   SER   6           HA       SER   6  -3.910  -6.403  -4.699
   38   1HB   SER   6          2HB       SER   6  -6.650  -5.353  -4.490
   39   2HB   SER   6          1HB       SER   6  -5.819  -6.070  -5.869
   40    HG   SER   6           HG       SER   6  -6.995  -7.464  -3.693
   41    H    CYS   7           H        CYS   7  -5.041  -3.921  -5.108
   42    HA   CYS   7           HA       CYS   7  -3.693  -2.378  -3.069
   43   1HB   CYS   7          2HB       CYS   7  -3.319  -1.785  -5.391
   44   2HB   CYS   7          1HB       CYS   7  -5.045  -1.564  -5.650
   45    HA   PRO   8           HA       PRO   8  -7.287  -1.413  -0.661
   46   1HB   PRO   8          2HB       PRO   8  -6.002   1.214  -0.193
   47   2HB   PRO   8          1HB       PRO   8  -6.518  -0.010   0.971
   48   1HG   PRO   8          2HG       PRO   8  -3.931   0.379   0.442
   49   2HG   PRO   8          1HG       PRO   8  -4.575  -1.248   0.733
   50   1HD   PRO   8          2HD       PRO   8  -3.852   0.073  -1.854
   51   2HD   PRO   8          1HD       PRO   8  -3.589  -1.604  -1.331
   52    H    ASP   9           H        ASP   9  -9.030   0.166  -0.513
   53    HA   ASP   9           HA       ASP   9  -9.486   1.466  -3.093
   54   1HB   ASP   9          2HB       ASP   9 -11.151  -0.163  -2.010
   55   2HB   ASP   9          1HB       ASP   9 -11.517   1.145  -0.889
   56    H    MET  10           H        MET  10  -9.431   2.157   0.367
   57    HA   MET  10           HA       MET  10  -9.105   4.996  -0.268
   58   1HB   MET  10          2HB       MET  10 -10.558   5.377   1.887
   59   2HB   MET  10          1HB       MET  10 -11.324   5.163   0.320
   60   1HG   MET  10          2HG       MET  10 -10.897   2.646   1.703
   61   2HG   MET  10          1HG       MET  10 -11.888   3.772   2.628
   62   1HE   MET  10          1HE       MET  10 -13.763   5.270   1.161
   63   2HE   MET  10          2HE       MET  10 -14.412   4.042   2.247
   64   3HE   MET  10          3HE       MET  10 -15.066   4.212   0.618
   65    H    SER  11           H        SER  11  -9.021   2.524   2.280
   66    HA   SER  11           HA       SER  11  -7.658   3.750   4.253
   67   1HB   SER  11          2HB       SER  11  -6.643   1.046   3.604
   68   2HB   SER  11          1HB       SER  11  -7.299   1.673   5.117
   69    HG   SER  11           HG       SER  11  -9.385   1.538   4.149
   70    H    MET  12           H        MET  12  -5.598   4.385   4.706
   71    HA   MET  12           HA       MET  12  -3.339   3.582   3.167
   72   1HB   MET  12          2HB       MET  12  -2.852   5.975   2.384
   73   2HB   MET  12          1HB       MET  12  -4.039   5.047   1.477
   74   1HG   MET  12          2HG       MET  12  -5.826   6.182   2.783
   75   2HG   MET  12          1HG       MET  12  -4.580   7.197   3.510
   76   1HE   MET  12          1HE       MET  12  -6.875   8.992   0.551
   77   2HE   MET  12          2HE       MET  12  -6.785   8.835   2.306
   78   3HE   MET  12          3HE       MET  12  -7.316   7.469   1.324
   79    HA   PRO  13           HA       PRO  13  -2.009   4.574   7.392
   80   1HB   PRO  13          2HB       PRO  13   0.581   3.918   6.058
   81   2HB   PRO  13          1HB       PRO  13  -0.054   3.370   7.614
   82   1HG   PRO  13          2HG       PRO  13  -0.080   1.756   5.499
   83   2HG   PRO  13          1HG       PRO  13  -1.436   1.782   6.641
   84   1HD   PRO  13          2HD       PRO  13  -1.241   2.936   3.900
   85   2HD   PRO  13          1HD       PRO  13  -2.640   2.228   4.731
   86    H    ILE  14           H        ILE  14  -2.175   6.757   7.600
   87    HA   ILE  14           HA       ILE  14  -1.224   8.773   6.034
   88    HB   ILE  14           HB       ILE  14  -2.666   9.165   7.961
   89   1HG1  ILE  14          2HG1      ILE  14  -0.093  10.734   8.232
   90   2HG1  ILE  14          1HG1      ILE  14  -1.303  11.022   6.987
   91   1HG2  ILE  14          1HG2      ILE  14  -2.106   8.804  10.133
   92   2HG2  ILE  14          2HG2      ILE  14  -0.395   9.132   9.864
   93   3HG2  ILE  14          3HG2      ILE  14  -1.081   7.582   9.382
   94   1HD1  ILE  14          1HD1      ILE  14  -1.626  12.623   8.708
   95   2HD1  ILE  14          2HD1      ILE  14  -1.614  11.374   9.953
   96   3HD1  ILE  14          3HD1      ILE  14  -2.951  11.463   8.807
   97    HA   PRO  15           HA       PRO  15   3.207   8.120   6.747
   98   1HB   PRO  15          2HB       PRO  15   4.038   8.732   4.289
   99   2HB   PRO  15          1HB       PRO  15   3.216   7.202   4.616
  100   1HG   PRO  15          2HG       PRO  15   2.184   9.664   3.303
  101   2HG   PRO  15          1HG       PRO  15   1.786   7.969   2.986
  102   1HD   PRO  15          2HD       PRO  15   0.293   9.795   4.540
  103   2HD   PRO  15          1HD       PRO  15   0.044   8.043   4.432
  104    HA   PRO  16           HA       PRO  16   3.554  12.621   7.446
  105   1HB   PRO  16          2HB       PRO  16   5.267  12.464   9.521
  106   2HB   PRO  16          1HB       PRO  16   3.534  12.171   9.709
  107   1HG   PRO  16          2HG       PRO  16   5.769  10.196   9.449
  108   2HG   PRO  16          1HG       PRO  16   4.382  10.175  10.553
  109   1HD   PRO  16          2HD       PRO  16   4.479   8.712   8.259
  110   2HD   PRO  16          1HD       PRO  16   2.966   9.323   8.956
  111    H    LEU  17           H        LEU  17   6.100  10.222   7.089
  112    HA   LEU  17           HA       LEU  17   8.175  12.140   6.598
  113   1HB   LEU  17          2HB       LEU  17   8.537   9.838   7.522
  114   2HB   LEU  17          1HB       LEU  17   8.158   9.199   5.935
  115    HG   LEU  17           HG       LEU  17  10.090  10.500   5.017
  116   1HD1  LEU  17          1HD1      LEU  17  10.604  11.009   7.943
  117   2HD1  LEU  17          2HD1      LEU  17  10.300  12.210   6.687
  118   3HD1  LEU  17          3HD1      LEU  17  11.786  11.262   6.658
  119   1HD2  LEU  17          1HD2      LEU  17  10.544   8.412   7.135
  120   2HD2  LEU  17          2HD2      LEU  17  11.824   9.003   6.076
  121   3HD2  LEU  17          3HD2      LEU  17  10.419   8.186   5.391
  122    H    GLY  18           H        GLY  18   7.026  13.375   4.939
  123   1HA   GLY  18          2HA       GLY  18   6.649  13.985   2.757
  124   2HA   GLY  18          1HA       GLY  18   7.984  12.908   2.373
  125    H    ILE  19           H        ILE  19   4.606  13.401   2.214
  126    HA   ILE  19           HA       ILE  19   4.058  10.652   1.446
  127    HB   ILE  19           HB       ILE  19   2.423  11.574   2.910
  128   1HG1  ILE  19          2HG1      ILE  19   0.847  12.032   0.483
  129   2HG1  ILE  19          1HG1      ILE  19   1.793  10.550   0.454
  130   1HG2  ILE  19          1HG2      ILE  19   2.502  13.836   2.954
  131   2HG2  ILE  19          2HG2      ILE  19   1.120  13.662   1.872
  132   3HG2  ILE  19          3HG2      ILE  19   2.725  13.973   1.209
  133   1HD1  ILE  19          1HD1      ILE  19  -0.690  10.790   1.516
  134   2HD1  ILE  19          2HD1      ILE  19   0.324  10.992   2.944
  135   3HD1  ILE  19          3HD1      ILE  19   0.475   9.541   1.954
  136    H    CYS  20           H        CYS  20   5.464  10.934  -0.487
  137    HA   CYS  20           HA       CYS  20   3.944  11.255  -2.814
  138   1HB   CYS  20          2HB       CYS  20   5.237  13.688  -1.824
  139   2HB   CYS  20          1HB       CYS  20   5.672  13.299  -3.483
  140    H    LYS  21           H        LYS  21   7.165  11.411  -1.387
  141    HA   LYS  21           HA       LYS  21   8.713  10.774  -3.596
  142   1HB   LYS  21          2HB       LYS  21   9.266  11.252  -1.017
  143   2HB   LYS  21          1HB       LYS  21   9.448   9.503  -1.016
  144   1HG   LYS  21          2HG       LYS  21  11.517   9.803  -1.743
  145   2HG   LYS  21          1HG       LYS  21  10.833  10.354  -3.274
  146   1HD   LYS  21          2HD       LYS  21  11.872  12.292  -2.879
  147   2HD   LYS  21          1HD       LYS  21  10.641  12.578  -1.648
  148   1HE   LYS  21          2HE       LYS  21  12.393  11.012  -0.288
  149   2HE   LYS  21          1HE       LYS  21  13.484  11.888  -1.362
  150   1HZ   LYS  21          1HZ       LYS  21  11.902  12.861   0.867
  151   2HZ   LYS  21          2HZ       LYS  21  11.947  13.874  -0.486
  152   3HZ   LYS  21          3HZ       LYS  21  13.387  13.410   0.270
  153    H    THR  22           H        THR  22   9.177   8.965  -4.712
  154    HA   THR  22           HA       THR  22   7.472   6.673  -4.351
  155    HB   THR  22           HB       THR  22   7.929   7.384  -6.600
  156    HG1  THR  22           1HG      THR  22   9.493   5.057  -6.280
  157   1HG2  THR  22          1HG2      THR  22  10.222   7.133  -7.567
  158   2HG2  THR  22          2HG2      THR  22  10.832   7.034  -5.915
  159   3HG2  THR  22          3HG2      THR  22  10.013   8.496  -6.466
  160    H    LEU  23           H        LEU  23   8.523   4.435  -4.563
  161    HA   LEU  23           HA       LEU  23  11.112   4.102  -3.388
  162   1HB   LEU  23          2HB       LEU  23   8.880   4.297  -1.675
  163   2HB   LEU  23          1HB       LEU  23   9.434   2.639  -1.650
  164    HG   LEU  23           HG       LEU  23  11.610   4.571  -1.399
  165   1HD1  LEU  23          1HD1      LEU  23  10.455   5.987  -0.070
  166   2HD1  LEU  23          2HD1      LEU  23  10.811   4.761   1.147
  167   3HD1  LEU  23          3HD1      LEU  23   9.239   4.781   0.349
  168   1HD2  LEU  23          1HD2      LEU  23  11.562   2.030  -1.007
  169   2HD2  LEU  23          2HD2      LEU  23  10.824   2.429   0.544
  170   3HD2  LEU  23          3HD2      LEU  23  12.431   3.038   0.151
  171    H    CYS  24           H        CYS  24   8.009   2.576  -4.141
  172    HA   CYS  24           HA       CYS  24   9.462   0.139  -4.925
  173   1HB   CYS  24          2HB       CYS  24   7.361  -1.057  -4.675
  174   2HB   CYS  24          1HB       CYS  24   7.715  -0.164  -3.200
  175    H    ASN  25           H        ASN  25   8.520  -1.054  -6.783
  176    HA   ASN  25           HA       ASN  25   7.431   0.767  -8.823
  177   1HB   ASN  25          2HB       ASN  25   9.861  -0.928  -8.905
  178   2HB   ASN  25          1HB       ASN  25   8.862  -0.927 -10.356
  179   1HD2  ASN  25          1HD2      ASN  25  11.561   0.197  -9.700
  180   2HD2  ASN  25          2HD2      ASN  25  11.475   1.849 -10.197
  181    H    SER  26           H        SER  26   6.733  -1.813  -6.999
  182    HA   SER  26           HA       SER  26   4.475  -2.625  -8.279
  183   1HB   SER  26          2HB       SER  26   5.581  -3.505 -10.164
  184   2HB   SER  26          1HB       SER  26   6.885  -4.184  -9.192
  185    HG   SER  26           HG       SER  26   4.332  -5.174  -9.697
  186    H    ASP  27           H        ASP  27   3.777  -4.928  -7.550
  187    HA   ASP  27           HA       ASP  27   3.802  -5.044  -4.789
  188   1HB   ASP  27          2HB       ASP  27   2.374  -6.305  -6.646
  189   2HB   ASP  27          1HB       ASP  27   3.508  -7.595  -6.272
  190    H    SER  28           H        SER  28   5.863  -6.726  -7.106
  191    HA   SER  28           HA       SER  28   7.246  -8.281  -5.172
  192   1HB   SER  28          2HB       SER  28   7.106  -8.342  -7.883
  193   2HB   SER  28          1HB       SER  28   8.681  -7.578  -7.663
  194    HG   SER  28           HG       SER  28   7.933 -10.161  -7.250
  195    H    GLY  29           H        GLY  29   7.457  -4.999  -6.179
  196   1HA   GLY  29          2HA       GLY  29  10.177  -4.571  -5.415
  197   2HA   GLY  29          1HA       GLY  29   8.994  -3.329  -5.770
  198    H    CYS  30           H        CYS  30   7.065  -4.160  -3.873
  199    HA   CYS  30           HA       CYS  30   8.086  -2.842  -1.562
  200   1HB   CYS  30          2HB       CYS  30   5.481  -4.133  -2.235
  201   2HB   CYS  30          1HB       CYS  30   5.804  -3.577  -0.599
  202    HA   PRO  31           HA       PRO  31   9.480  -6.307   0.667
  203   1HB   PRO  31          2HB       PRO  31   9.773  -5.242   3.105
  204   2HB   PRO  31          1HB       PRO  31  10.774  -4.731   1.742
  205   1HG   PRO  31          2HG       PRO  31   8.410  -3.384   2.968
  206   2HG   PRO  31          1HG       PRO  31   9.903  -2.671   2.334
  207   1HD   PRO  31          2HD       PRO  31   7.485  -2.800   0.973
  208   2HD   PRO  31          1HD       PRO  31   9.071  -2.557   0.219
  209    H    ASN  32           H        ASN  32   9.125  -7.332   2.964
  210    HA   ASN  32           HA       ASN  32   7.752  -8.787   4.066
  211   1HB   ASN  32          2HB       ASN  32   6.479  -6.093   4.513
  212   2HB   ASN  32          1HB       ASN  32   5.917  -7.543   5.339
  213   1HD2  ASN  32          1HD2      ASN  32   8.736  -5.507   4.796
  214   2HD2  ASN  32          2HD2      ASN  32   9.512  -5.868   6.297
  215    H    VAL  33           H        VAL  33   4.946  -6.809   3.401
  216    HA   VAL  33           HA       VAL  33   4.007  -8.641   1.353
  217    HB   VAL  33           HB       VAL  33   1.786  -8.729   2.595
  218   1HG1  VAL  33          1HG1      VAL  33   3.806 -10.485   2.395
  219   2HG1  VAL  33          2HG1      VAL  33   2.290 -10.837   3.224
  220   3HG1  VAL  33          3HG1      VAL  33   3.705 -10.333   4.149
  221   1HG2  VAL  33          1HG2      VAL  33   3.135  -8.675   5.174
  222   2HG2  VAL  33          2HG2      VAL  33   1.585  -7.986   4.695
  223   3HG2  VAL  33          3HG2      VAL  33   3.077  -7.098   4.387
  224    H    GLN  34           H        GLN  34   4.496  -5.583   2.323
  225    HA   GLN  34           HA       GLN  34   2.117  -4.222   1.775
  226   1HB   GLN  34          2HB       GLN  34   5.000  -3.528   1.901
  227   2HB   GLN  34          1HB       GLN  34   3.904  -2.377   1.155
  228   1HG   GLN  34          2HG       GLN  34   2.508  -2.882   3.354
  229   2HG   GLN  34          1HG       GLN  34   4.117  -3.239   3.968
  230   1HE2  GLN  34          1HE2      GLN  34   5.671  -1.433   2.724
  231   2HE2  GLN  34          2HE2      GLN  34   5.216   0.170   3.169
  232    H    LYS  35           H        LYS  35   1.244  -3.391  -0.082
  233    HA   LYS  35           HA       LYS  35   2.216  -4.520  -2.565
  234   1HB   LYS  35          2HB       LYS  35  -0.336  -3.540  -1.505
  235   2HB   LYS  35          1HB       LYS  35  -0.038  -3.086  -3.171
  236   1HG   LYS  35          2HG       LYS  35  -1.263  -5.136  -3.148
  237   2HG   LYS  35          1HG       LYS  35   0.381  -5.478  -3.692
  238   1HD   LYS  35          2HD       LYS  35   0.982  -6.293  -1.498
  239   2HD   LYS  35          1HD       LYS  35  -0.602  -5.840  -0.863
  240   1HE   LYS  35          2HE       LYS  35  -1.623  -7.425  -2.497
  241   2HE   LYS  35          1HE       LYS  35   0.004  -7.954  -2.922
  242   1HZ   LYS  35          1HZ       LYS  35  -1.522  -8.424  -0.468
  243   2HZ   LYS  35          2HZ       LYS  35   0.160  -8.292  -0.341
  244   3HZ   LYS  35          3HZ       LYS  35  -0.521  -9.478  -1.336
  245    H    CYS  36           H        CYS  36   2.034  -3.039  -4.529
  246    HA   CYS  36           HA       CYS  36   3.190  -0.419  -3.845
  247   1HB   CYS  36          2HB       CYS  36   4.683  -2.113  -5.022
  248   2HB   CYS  36          1HB       CYS  36   3.645  -1.912  -6.430
  249    H    CYS  37           H        CYS  37   1.489   0.943  -3.951
  250    HA   CYS  37           HA       CYS  37  -0.015   1.007  -6.485
  251   1HB   CYS  37          2HB       CYS  37  -1.115   0.346  -4.084
  252   2HB   CYS  37          1HB       CYS  37  -1.379   2.085  -4.106
  253    H    LYS  38           H        LYS  38  -1.374   3.258  -6.327
  254    HA   LYS  38           HA       LYS  38   0.685   5.338  -5.986
  255   1HB   LYS  38          2HB       LYS  38  -0.076   4.885  -8.330
  256   2HB   LYS  38          1HB       LYS  38  -1.692   5.390  -7.854
  257   1HG   LYS  38          2HG       LYS  38  -0.782   7.611  -7.261
  258   2HG   LYS  38          1HG       LYS  38   0.792   7.090  -7.867
  259   1HD   LYS  38          2HD       LYS  38  -1.504   6.717  -9.689
  260   2HD   LYS  38          1HD       LYS  38  -1.021   8.384  -9.373
  261   1HE   LYS  38          2HE       LYS  38   1.356   7.595  -9.902
  262   2HE   LYS  38          1HE       LYS  38   0.593   6.157 -10.576
  263   1HZ   LYS  38          1HZ       LYS  38   0.665   8.870 -11.602
  264   2HZ   LYS  38          2HZ       LYS  38  -0.819   8.074 -11.763
  265   3HZ   LYS  38          3HZ       LYS  38   0.580   7.398 -12.433
  266    H    ASN  39           H        ASN  39  -0.429   4.929  -3.693
  267    HA   ASN  39           HA       ASN  39  -2.946   6.134  -3.221
  268   1HB   ASN  39          2HB       ASN  39  -2.135   6.190  -0.814
  269   2HB   ASN  39          1HB       ASN  39  -2.154   4.607  -1.583
  270   1HD2  ASN  39          1HD2      ASN  39  -0.163   7.204  -0.410
  271   2HD2  ASN  39          2HD2      ASN  39   1.327   6.327  -0.405
  272    H    GLY  40           H        GLY  40  -3.524   8.187  -2.739
  273   1HA   GLY  40          2HA       GLY  40  -3.383  10.473  -2.608
  274   2HA   GLY  40          1HA       GLY  40  -1.870  10.209  -1.755
  275    H    CYS  41           H        CYS  41   0.051  10.516  -2.798
  276    HA   CYS  41           HA       CYS  41   0.149  12.273  -4.957
  277   1HB   CYS  41          2HB       CYS  41   1.955  11.465  -3.161
  278   2HB   CYS  41          1HB       CYS  41   2.468  10.461  -4.512
  279    H    GLY  42           H        GLY  42   1.534  11.739  -6.989
  280   1HA   GLY  42          2HA       GLY  42   0.233   9.442  -8.277
  281   2HA   GLY  42          1HA       GLY  42   0.911  10.832  -9.109
  282    H    PHE  43           H        PHE  43   2.209   8.553  -6.700
  283    HA   PHE  43           HA       PHE  43   4.312   7.845  -8.630
  284   1HB   PHE  43          2HB       PHE  43   4.618   9.196  -6.101
  285   2HB   PHE  43          1HB       PHE  43   5.445   7.643  -6.054
  286    HD1  PHE  43           1HD      PHE  43   6.349  10.738  -6.220
  287    HD2  PHE  43           2HD      PHE  43   6.327   7.409  -8.871
  288    HE1  PHE  43           1HE      PHE  43   8.237  11.715  -7.455
  289    HE2  PHE  43           2HE      PHE  43   8.216   8.381 -10.112
  290    HZ   PHE  43           HZ       PHE  43   9.175  10.537  -9.404
  291    H    MET  44           H        MET  44   5.677   5.989  -7.148
  292    HA   MET  44           HA       MET  44   3.621   3.929  -6.686
  293   1HB   MET  44          2HB       MET  44   6.370   3.780  -7.889
  294   2HB   MET  44          1HB       MET  44   5.607   2.350  -7.208
  295   1HG   MET  44          2HG       MET  44   4.476   4.054  -9.417
  296   2HG   MET  44          1HG       MET  44   5.290   2.504  -9.624
  297   1HE   MET  44          1HE       MET  44   2.971  -0.131  -8.903
  298   2HE   MET  44          2HE       MET  44   4.532   0.482  -9.452
  299   3HE   MET  44          3HE       MET  44   3.109   0.639 -10.484
  300    H    THR  45           H        THR  45   3.377   4.240  -4.484
  301    HA   THR  45           HA       THR  45   5.764   3.765  -2.828
  302    HB   THR  45           HB       THR  45   4.424   4.773  -0.977
  303    HG1  THR  45           1HG      THR  45   2.361   4.760  -1.420
  304   1HG2  THR  45          1HG2      THR  45   4.329   6.807  -3.128
  305   2HG2  THR  45          2HG2      THR  45   5.892   6.107  -2.709
  306   3HG2  THR  45          3HG2      THR  45   4.935   6.927  -1.476
  307    H    CYS  46           H        CYS  46   5.246   2.611  -0.712
  308    HA   CYS  46           HA       CYS  46   3.769   0.202  -1.379
  309   1HB   CYS  46          2HB       CYS  46   5.647   0.876   0.878
  310   2HB   CYS  46          1HB       CYS  46   4.767  -0.642   0.787
  311    H    THR  47           H        THR  47   2.111  -0.642  -0.180
  312    HA   THR  47           HA       THR  47   0.974   0.979   1.972
  313    HB   THR  47           HB       THR  47  -0.120   1.680  -0.138
  314    HG1  THR  47           1HG      THR  47  -2.089   1.669   0.744
  315   1HG2  THR  47          1HG2      THR  47  -0.499   0.145  -1.694
  316   2HG2  THR  47          2HG2      THR  47  -1.896  -0.322  -0.724
  317   3HG2  THR  47          3HG2      THR  47  -0.367  -1.183  -0.540
  318    H    THR  48           H        THR  48  -1.243  -0.325   2.599
  319    HA   THR  48           HA       THR  48  -0.258  -2.870   3.540
  320    HB   THR  48           HB       THR  48  -2.966  -1.630   3.976
  321    HG1  THR  48           1HG      THR  48  -1.670  -0.179   4.877
  322   1HG2  THR  48          1HG2      THR  48  -1.459  -3.663   5.596
  323   2HG2  THR  48          2HG2      THR  48  -2.890  -3.968   4.611
  324   3HG2  THR  48          3HG2      THR  48  -3.001  -2.929   6.033
  325    HA   PRO  49           HA       PRO  49  -2.151  -5.239   0.298
  326   1HB   PRO  49          2HB       PRO  49  -2.100  -7.683   1.460
  327   2HB   PRO  49          1HB       PRO  49  -0.646  -6.896   0.837
  328   1HG   PRO  49          2HG       PRO  49  -1.651  -7.058   3.652
  329   2HG   PRO  49          1HG       PRO  49   0.000  -7.265   3.041
  330   1HD   PRO  49          2HD       PRO  49  -0.862  -4.959   4.179
  331   2HD   PRO  49          1HD       PRO  49   0.367  -4.996   2.898
  332    H    VAL  50           H        VAL  50  -4.201  -5.667  -0.269
  333    HA   VAL  50           HA       VAL  50  -6.210  -5.815   1.861
  334    HB   VAL  50           HB       VAL  50  -6.731  -5.289  -1.028
  335   1HG1  VAL  50          1HG1      VAL  50  -8.346  -5.053   1.479
  336   2HG1  VAL  50          2HG1      VAL  50  -8.727  -5.931  -0.003
  337   3HG1  VAL  50          3HG1      VAL  50  -8.778  -4.168   0.016
  338   1HG2  VAL  50          1HG2      VAL  50  -5.365  -3.598   0.753
  339   2HG2  VAL  50          2HG2      VAL  50  -6.991  -2.940   0.580
  340   3HG2  VAL  50          3HG2      VAL  50  -5.990  -3.202  -0.848
  341    HA   PRO  51           HA       PRO  51  -6.224 -10.252   0.836
  342   1HB   PRO  51          2HB       PRO  51  -8.503 -10.041   2.749
  343   2HB   PRO  51          1HB       PRO  51  -7.176 -11.207   2.704
  344   1HG   PRO  51          2HG       PRO  51  -7.187  -9.234   4.490
  345   2HG   PRO  51          1HG       PRO  51  -5.681  -9.744   3.705
  346   1HD   PRO  51          2HD       PRO  51  -7.351  -7.324   3.211
  347   2HD   PRO  51          1HD       PRO  51  -5.589  -7.517   3.130