*HEADER   BLOOD COAGULATION INHIBITOR             28-NOV-95   1FGE    
*TITLE    EPIDERMAL GROWTH FACTOR (EGF) SUBDOMAIN OF HUMAN            
*TITLE   2 THROMBOMODULIN (NMR, 14 STRUCTURES)                        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: THROMBOMODULIN;                                  
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: C-TERMINAL SUBDOMAIN, RESIDUES 407 - 426, OF 5TH 
*COMPND  5 EPIDERMAL GROWTH FACTOR (EGF);                             
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: C409A;                                           
*COMPND  8 OTHER_DETAILS: NON-NATIVE DISULFIDE BOND BETWEEN THE FOURTH
*COMPND  9 CYSTEINE (CYS 407) AND THE SIXTH CYSTEINE (CYS 421)        
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*KEYWDS   BLOOD COAGULATION INHIBITOR, THROMBOMODULIN, EGF            
*EXPDTA   NMR, 14 STRUCTURES                                          
*AUTHOR   R.HRABAL,E.A.KOMIVES,F.NI                                   
*REVDAT  1   20-JUN-96 1FGE    0                                      



! Intraresidual NOEs   
           1    0 HN      1   0 HB1      1.800   4.000
           1    0 HN      1   0 HB2      1.800   4.000
           1    0 HN      1   0 HG1      2.000   4.500
           1    0 HA      1   0 HG1      1.800   3.500
           1    1 HN      1   1 HB*      1.800   4.000
           1    3 HN      1   3 HB2      1.800   3.500
           1    3 HN      1   3 HG1      1.800   3.500
           1    3 HA      1   3 HG1      1.800   3.500
           1    5 HN      1   5 HB1      1.800   3.500
           1    5 HN      1   5 HD1      2.000   4.000
           1    5 HA      1   5 HD1      1.800   3.000
           1    5 HB2     1   5 HD2      1.800   4.000
           1    5 HB1     1   5 HD1      1.800   4.000
           1    6 HN      1   6 HB       2.000   4.000
           1    6 HN      1   6 HG11     2.500   4.500
           1    6 HN      1   6 HG2*     1.800   4.500
           1    6 HA      1   6 HG2*     1.800   4.500
           1    6 HA      1   6 HG12     2.000   4.500
           1    7 HN      1   7 HB2      1.800   3.500 
           1    7 HA      1   7 HD1*     1.800   4.000
           1    7 HA      1   7 HD2*     2.500   5.000
           1    8 HN      1   8 HB1      2.000   3.500
           1    8 HN      1   8 HB2      1.800   4.000
           1    9 HN      1   9 HB1      2.000   4.000
           1    9 HN      1   9 HB2      1.800   3.500
           1   11 HN      1  11 HB1      2.000   4.000
           1   11 HN      1  11 HB2      1.800   3.500
           1   11 HN      1  11 HD2      2.000   4.000
           1   11 HA      1  11 HD2      1.800   3.000
           1   11 HB1     1  11 HD1      1.800   3.500
           1   11 HB2     1  11 HD2      1.800   3.500
           1   12 HN      1  12 HB       1.800   3.500
           1   12 HN      1  12 HG11     2.000   4.500
           1   12 HN      1  12 HG12     2.000   4.500
           1   12 HN      1  12 HD1*     1.800   4.000
           1   12 HA      1  12 HD1*     1.800   4.500
           1   13 HN      1  13 HB1      1.800   3.500
           1   13 HN      1  13 HB2      1.800   3.500
           1   14 HN      1  14 HG2*     2.500   5.000
           1   14 HA      1  14 HG2*     2.500   5.000
           1   15 HN      1  15 HB1      2.000   4.000
           1   15 HN      1  15 HB2      1.800   3.500
           1   16 HN      1  16 HB       2.000   4.500
           1   16 HN      1  16 HG11     2.000   4.500
           1   16 HN      1  16 HG12     2.000   4.500
           1   16 HN      1  16 HD1*     2.500   5.000     
           1   16 HA      1  16 HG2*     1.800   4.500
           1   17 HN      1  17 HB1      2.000   4.000
           1   17 HN      1  17 HB2      1.800   3.500
           1   18 HN      1  18 HB1      2.000   4.500
           1   18 HN      1  18 HB2      1.800   3.500
           1   18 HN      1  18 HG2      2.000   4.500
! Sequential NOEs
           1   -1 HA      1   0 HN       1.800   3.500
           1   -1 HB1     1   0 HN       2.000   4.000
           1    0 HA      1   1 HN       1.800   2.500
           1    0 HA      1   1 HB*      2.500   5.000
           1    0 HB1     1   1 HN       2.000   4.500
           1    0 HB2     1   1 HN       2.000   5.000
           1    0 HG1     1   1 HN       2.000   4.500
           1    1 HA      1   2 HD1      1.800   2.500
           1    1 HA      1   2 HD2      1.800   2.500
           1    1 HN      1   2 HD2      2.500   5.000  
           1    1 HB*     1   2 HD1      1.800   4.500
           1    1 HB*     1   2 HD2      1.800   4.500
           1    2 HA      1   3 HN       1.800   3.000
           1    2 HB2     1   3 HN       1.800   3.500
           1    2 HA      1   3 HB2      2.500   5.000
           1    2 HA      1   3 HG1      2.500   4.500
           1    3 HA      1   4 HN       1.800   2.500
           1    3 HB1     1   4 HN       1.800   3.500
           1    3 HG1     1   4 HN       2.000   4.500
           1    4 HA1     1   5 HN       1.800   3.500
           1    4 HA2     1   5 HN       1.800   3.500
           1    4 HN      1   5 HN       1.800   3.000
           1    5 HA      1   6 HN       1.800   2.500
           1    5 HN      1   6 HN       2.000   4.500
           1    5 HA      1   6 HB       2.500   5.000
           1    5 HB1     1   6 HN       1.800   3.500
           1    5 HB1     1   6 HA       2.500   5.000
           1    5 HD2     1   6 HA       3.000   5.000
           1    5 HD2     1   6 HN       2.000   4.500
           1    5 HA      1   6 HG2*     3.000   5.500
           1    6 HA      1   7 HN       1.800   2.500
           1    6 HA      1   7 HB2      2.000   4.500
           1    6 HB      1   7 HN       2.000   4.500
           1    6 HD1*    1   7 HN       1.800   4.500
           1    7 HA      1   8 HN       1.800   2.500
           1    7 HB1     1   8 HA       3.000   5.000
           1    7 HB1     1   8 HN       1.800   3.500
           1    7 HN      1   8 HN       2.000   4.500
           1    7 HD1*    1   8 HN       2.000   4.500
           1    7 HD2*    1   8 HN       3.000   5.500  
           1    8 HA      1   9 HN       1.800   3.500
           1    9 HA      1  10 HN       2.000   3.500  
           1    9 HN      1  10 HN       1.800   3.500
           1    9 HB1     1  10 HN       2.000   4.500
           1   10 HA1     1  11 HN       1.800   3.500
           1   10 HN      1  11 HN       1.800   3.500
           1   11 HA      1  12 HN       1.800   3.500
           1   11 HD1     1  12 HN       1.800   3.500
           1   11 HA      1  12 HB       3.000   5.000
           1   11 HA      1  12 HG11     2.500   5.000
           1   11 HB1     1  12 HA       2.500   5.000
           1   11 HB1     1  12 HN       2.000   4.500
           1   11 HB2     1  12 HN       2.000   4.500
           1   11 HD2     1  12 HD1*     2.500   5.000
           1   11 HE2     1  12 HD1*     2.500   5.500
           1   11 HD1     1  12 HA       2.000   4.500
           1   12 HA      1  13 HN       1.800   3.500
           1   12 HN      1  13 HN       2.000   4.500
           1   12 HB      1  13 HN       1.800   3.500
           1   12 HG11    1  13 HN       2.500   5.000
           1   12 HG12    1  13 HN       2.500   5.000 
           1   12 HD1*    1  13 HN       1.800   3.500
           1   12 HG2*    1  13 HB2      3.000   5.500
           1   12 HD1*    1  13 HB1      3.000   5.500
           1   12 HD1*    1  13 HB1      3.000   5.500
           1   13 HA      1  14 HN       1.800   3.000
           1   14 HA      1  15 HN       1.800   2.500
           1   14 HG2*    1  15 HN       1.800   4.500  
           1   14 HG2*    1  15 HA       1.800   4.500
           1   15 HA      1  16 HN       2.000   4.000
           1   15 HA      1  16 HG2*     3.000   5.500
           1   15 HB1     1  16 HN       2.500   5.000
           1   16 HA      1  17 HN       1.800   3.500
           1   16 HN      1  17 HN       1.800   3.500
           1   16 HG2*    1  17 HN       2.000   5.000
           1   16 HG12    1  17 HN       3.000   5.000
           1   16 HB      1  17 HN       2.000   4.500
           1   16 HD1*    1  17 HA       3.000   5.500
           1   16 HD1*    1  17 HB2      3.000   5.500
           1   16 HB      1  17 HA       2.500   5.000
           1   17 HA      1  18 HN       1.800   3.000
           1   17 HN      1  18 HN       1.800   3.500
           1   17 HA      1  18 HG1      3.000   5.000
           1   17 HB1     1  18 HN       2.000   4.500
           1   17 HB2     1  18 HN       2.500   4.540
! Medium and long-range NOEs
           1   -1 HB2     1  11 HE1      2.500   5.000
           1   -1 HB2     1  12 HG2*     3.000   5.500
           1    0 HB2     1  11 HE1      2.500   4.500
           1    1 HB*     1   5 HN       2.500   5.500
           1    1 HB*     1   5 HB2      1.800   4.500
           1    1 HB*     1   5 HD2      2.500   4.500
           1    1 HB*     1   5 HE2      2.500   4.500
           1    1 HA      1  11 HE2      2.500   5.000
           1    1 HB*     1  11 HD2      1.800   4.500
           1    1 HB*     1  11 HE2      1.800   4.500
           1    2 HG2     1   5 HN       3.000   5.000
           1    2 HG2     1   5 HD1      1.800   3.500
           1    2 HG2     1   5 HE1      2.000   4.500
           1    2 HG2     1   5 HB2      2.000   4.500
           1    2 HB2     1   5 HD1      2.500   5.000
           1    2 HD1     1   5 HD1      2.500   5.000
           1    2 HD2     1   5 HD1      2.500   5.000
           1    3 HA      1   5 HN       2.000   4.500
           1    3 HB1     1   5 HN       3.000   5.000
           1    5 HD2     1   7 HB2      2.500   5.000
           1    5 HE2     1   7 HB2      2.500   5.000  
           1    5 HD2     1   7 HD2*     2.500   5.000
           1    5 HE2     1   7 HD2*     2.500   5.000
           1    5 HD2     1  15 HB2      2.500   4.500
           1    5 HE2     1  15 HB2      2.500   4.500
           1    5 HB2     1  16 HD1*     2.500   5.500
           1    5 HE2     1  16 HG2*     2.500   5.500
           1    5 HD2     1  16 HG2*     2.500   5.500
           1    6 HD1*    1   8 HB1      3.000   5.500
           1    7 HB2     1   9 HN       2.000   4.500  
           1    7 HD1*    1   9 HB2      2.500   5.000
           1    7 HN      1  11 HE2      2.500   4.500
           1    7 HN      1  11 HA       3.000   5.000 
           1    7 HB2     1  11 HE2      2.500   5.000
           1    7 HD1*    1  11 HN       2.500   5.500
           1    7 HD2*    1  11 HA       2.500   5.500
           1    7 HD2*    1  11 HE2      2.500   5.500
           1    7 HD2*    1  11 HD2      2.000   5.000
           1    7 HD1*    1  15 HB2      2.500   5.500
           1    9 HN      1  11 HN       3.000   5.000
           1    9 HB2     1  11 HN       2.500   5.000  
           1   11 HE1     1  13 HN       2.000   4.500
           1   11 HD1     1  13 HN       2.500   5.000
           1   11 HE1     1  13 HA       2.000   4.500
           1   11 HE1     1  13 HB2      2.500   5.000  
           1   11 HD2     1  15 HB2      3.000   5.000
           1   11 HE2     1  15 HB2      2.500   4.500
! Hydrogen bonds
           1    2 O       1   5 HN       1.700   2.200
           1    7 O       1  10 HN       1.700   2.200 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS 407          1H        CYS  -1  -3.645  -7.881  -5.008
    2   2H    CYS 407          2H        CYS  -1  -5.123  -7.163  -4.765
    3    HA   CYS 407           HA       CYS  -1  -4.058  -7.674  -2.685
    4   1HB   CYS 407          1HB       CYS  -1  -1.906  -6.012  -3.961
    5   2HB   CYS 407          2HB       CYS  -1  -2.020  -6.147  -2.210
    6    H    GLU 408           H        GLU   0  -4.318  -6.254  -0.843
    7    HA   GLU 408           HA       GLU   0  -5.613  -3.613  -1.466
    8   1HB   GLU 408          1HB       GLU   0  -6.235  -5.629   0.690
    9   2HB   GLU 408          2HB       GLU   0  -6.982  -4.039   0.587
   10   1HG   GLU 408          1HG       GLU   0  -8.577  -5.121  -0.644
   11   2HG   GLU 408          2HG       GLU   0  -7.412  -4.971  -1.954
   12    H    ALA 409           H        ALA   1  -5.482  -1.993   0.268
   13    HA   ALA 409           HA       ALA   1  -2.946  -2.179   1.840
   14   1HB   ALA 409          1HB       ALA   1  -4.211  -0.044   0.253
   15   2HB   ALA 409          2HB       ALA   1  -3.625   0.488   1.829
   16   3HB   ALA 409          3HB       ALA   1  -2.519  -0.278   0.688
   17    HA   PRO 410           HA       PRO   2  -5.851  -2.303   5.335
   18   1HB   PRO 410          1HB       PRO   2  -3.924  -2.899   7.209
   19   2HB   PRO 410          2HB       PRO   2  -4.671  -4.098   6.141
   20   1HG   PRO 410          1HG       PRO   2  -1.951  -2.877   5.989
   21   2HG   PRO 410          2HG       PRO   2  -2.498  -4.473   5.449
   22   1HD   PRO 410          1HD       PRO   2  -2.053  -2.259   3.782
   23   2HD   PRO 410          2HD       PRO   2  -2.972  -3.707   3.339
   24    H    GLU 411           H        GLU   3  -5.410  -1.434   7.812
   25    HA   GLU 411           HA       GLU   3  -5.538   1.407   7.743
   26   1HB   GLU 411          1HB       GLU   3  -4.987  -0.515  10.014
   27   2HB   GLU 411          2HB       GLU   3  -5.231   1.216  10.255
   28   1HG   GLU 411          1HG       GLU   3  -7.454   0.755  10.355
   29   2HG   GLU 411          2HG       GLU   3  -7.368   0.476   8.615
   30    H    GLY 412           H        GLY   4  -3.983   2.955   7.654
   31   1HA   GLY 412          1HA       GLY   4  -1.858   3.981   8.237
   32   2HA   GLY 412          2HA       GLY   4  -1.201   2.380   8.578
   33    H    TYR 413           H        TYR   5  -2.277   1.184   6.114
   34    HA   TYR 413           HA       TYR   5  -0.148   1.795   4.247
   35   1HB   TYR 413          1HB       TYR   5  -1.990  -0.317   4.721
   36   2HB   TYR 413          2HB       TYR   5  -2.267   0.248   3.081
   37    HD1  TYR 413           HD1      TYR   5   0.212  -1.120   5.411
   38    HD2  TYR 413           HD2      TYR   5  -0.610  -0.012   1.368
   39    HE1  TYR 413           HE1      TYR   5   2.221  -2.357   4.667
   40    HE2  TYR 413           HE2      TYR   5   1.385  -1.231   0.607
   41    HH   TYR 413           HH       TYR   5   3.057  -3.440   2.540
   42    H    ILE 414           H        ILE   6  -0.276   3.130   2.454
   43    HA   ILE 414           HA       ILE   6  -2.710   3.743   1.041
   44    HB   ILE 414           HB       ILE   6  -3.372   5.180   2.814
   45   1HG1  ILE 414          1HG1      ILE   6  -3.243   7.467   1.916
   46   2HG1  ILE 414          2HG1      ILE   6  -1.906   7.006   0.869
   47   1HG2  ILE 414          1HG2      ILE   6  -0.515   6.193   2.875
   48   2HG2  ILE 414          2HG2      ILE   6  -1.839   6.915   3.787
   49   3HG2  ILE 414          3HG2      ILE   6  -1.339   5.258   4.122
   50   1HD1  ILE 414          1HD1      ILE   6  -4.326   5.323   0.592
   51   2HD1  ILE 414          2HD1      ILE   6  -4.528   7.005   0.099
   52   3HD1  ILE 414          3HD1      ILE   6  -3.280   6.013  -0.652
   53    H    LEU 415           H        LEU   7  -1.913   3.727  -0.988
   54    HA   LEU 415           HA       LEU   7   0.570   5.300  -1.563
   55   1HB   LEU 415          1HB       LEU   7  -0.116   2.607  -2.282
   56   2HB   LEU 415          2HB       LEU   7  -0.009   3.576  -3.735
   57    HG   LEU 415           HG       LEU   7   2.173   2.545  -3.124
   58   1HD1  LEU 415          1HD1      LEU   7   1.958   4.787  -4.315
   59   2HD1  LEU 415          2HD1      LEU   7   2.302   5.545  -2.760
   60   3HD1  LEU 415          3HD1      LEU   7   3.498   4.490  -3.510
   61   1HD2  LEU 415          1HD2      LEU   7   1.680   2.767  -0.597
   62   2HD2  LEU 415          2HD2      LEU   7   3.329   3.097  -1.127
   63   3HD2  LEU 415          3HD2      LEU   7   2.245   4.431  -0.758
   64    H    ASP 416           H        ASP   8   0.305   7.049  -2.699
   65    HA   ASP 416           HA       ASP   8  -2.201   8.009  -3.691
   66   1HB   ASP 416          1HB       ASP   8  -0.890   9.914  -4.560
   67   2HB   ASP 416          2HB       ASP   8  -0.416   9.502  -2.915
   68    H    ASP 417           H        ASP   9   0.262   6.079  -5.302
   69    HA   ASP 417           HA       ASP   9  -0.371   6.767  -8.024
   70   1HB   ASP 417          1HB       ASP   9   1.086   5.036  -8.617
   71   2HB   ASP 417          2HB       ASP   9   1.668   5.453  -7.015
   72    H    GLY 418           H        GLY  10  -2.096   4.829  -5.682
   73   1HA   GLY 418          1HA       GLY  10  -4.507   4.382  -6.363
   74   2HA   GLY 418          2HA       GLY  10  -3.839   3.668  -7.829
   75    H    PHE 419           H        PHE  11  -1.561   2.722  -5.738
   76    HA   PHE 419           HA       PHE  11  -1.071   0.920  -4.408
   77   1HB   PHE 419          1HB       PHE  11  -3.363   1.458  -3.292
   78   2HB   PHE 419          2HB       PHE  11  -3.963   0.082  -4.226
   79    HD1  PHE 419           HD1      PHE  11  -1.044   1.045  -2.121
   80    HD2  PHE 419           HD2      PHE  11  -3.749  -2.070  -3.283
   81    HE1  PHE 419           HE1      PHE  11   0.053  -0.473  -0.551
   82    HE2  PHE 419           HE2      PHE  11  -2.652  -3.627  -1.688
   83    HZ   PHE 419           HZ       PHE  11  -0.738  -2.823  -0.312
   84    H    ILE 420           H        ILE  12  -0.604  -1.233  -4.682
   85    HA   ILE 420           HA       ILE  12  -1.797  -2.662  -7.002
   86    HB   ILE 420           HB       ILE  12   1.131  -3.024  -6.710
   87   1HG1  ILE 420          1HG1      ILE  12   1.395  -0.990  -8.373
   88   2HG1  ILE 420          2HG1      ILE  12  -0.036  -0.378  -7.544
   89   1HG2  ILE 420          1HG2      ILE  12  -0.374  -4.137  -8.368
   90   2HG2  ILE 420          2HG2      ILE  12  -0.602  -2.564  -9.140
   91   3HG2  ILE 420          3HG2      ILE  12   1.003  -3.296  -9.090
   92   1HD1  ILE 420          1HD1      ILE  12   2.081  -1.465  -5.768
   93   2HD1  ILE 420          2HD1      ILE  12   2.511   0.009  -6.641
   94   3HD1  ILE 420          3HD1      ILE  12   1.097  -0.011  -5.584
   95    H    CYS 421           H        CYS  13   0.840  -3.089  -4.614
   96    HA   CYS 421           HA       CYS  13  -0.369  -5.078  -2.989
   97   1HB   CYS 421          1HB       CYS  13  -0.279  -6.371  -5.186
   98   2HB   CYS 421          2HB       CYS  13   1.478  -6.283  -5.079
   99    H    THR 422           H        THR  14   0.760  -4.105  -1.311
  100    HA   THR 422           HA       THR  14   2.496  -3.747   0.205
  101    HB   THR 422           HB       THR  14   4.374  -5.311  -1.589
  102    HG1  THR 422           HG1      THR  14   3.199  -6.990  -1.190
  103   1HG2  THR 422          1HG2      THR  14   4.906  -3.944   0.670
  104   2HG2  THR 422          2HG2      THR  14   4.382  -5.469   1.385
  105   3HG2  THR 422          3HG2      THR  14   5.733  -5.442   0.253
  106    H    ASP 423           H        ASP  15   3.431  -1.795   0.393
  107    HA   ASP 423           HA       ASP  15   5.201  -0.744  -1.732
  108   1HB   ASP 423          1HB       ASP  15   2.651   0.616  -0.811
  109   2HB   ASP 423          2HB       ASP  15   3.932   1.453  -1.680
  110    H    ILE 424           H        ILE  16   3.611   0.212   1.361
  111    HA   ILE 424           HA       ILE  16   6.018   1.738   2.132
  112    HB   ILE 424           HB       ILE  16   4.692   2.469   4.102
  113   1HG1  ILE 424          1HG1      ILE  16   2.197   1.281   2.958
  114   2HG1  ILE 424          2HG1      ILE  16   3.242   0.199   3.874
  115   1HG2  ILE 424          1HG2      ILE  16   3.330   2.696   1.397
  116   2HG2  ILE 424          2HG2      ILE  16   3.000   3.744   2.780
  117   3HG2  ILE 424          3HG2      ILE  16   4.596   3.752   2.027
  118   1HD1  ILE 424          1HD1      ILE  16   2.180   2.855   4.869
  119   2HD1  ILE 424          2HD1      ILE  16   1.575   1.267   5.341
  120   3HD1  ILE 424          3HD1      ILE  16   3.215   1.749   5.776
  121    H    ASP 425           H        ASP  17   4.447  -1.295   3.087
  122    HA   ASP 425           HA       ASP  17   6.661  -1.773   5.035
  123   1HB   ASP 425          1HB       ASP  17   3.853  -2.930   4.958
  124   2HB   ASP 425          2HB       ASP  17   5.118  -3.522   6.022
  125    H    GLU 426           H        GLU  18   7.861  -2.240   2.985
  126    HA   GLU 426           HA       GLU  18   7.227  -4.856   1.709
  127   1HB   GLU 426          1HB       GLU  18   9.304  -2.785   0.915
  128   2HB   GLU 426          2HB       GLU  18   8.838  -4.204  -0.019
  129   1HG   GLU 426          1HG       GLU  18   6.411  -2.895   0.513
  130   2HG   GLU 426          2HG       GLU  18   7.536  -1.596   0.150
  131    HXT  GLU 426           HXT      GLU  18   9.745  -5.935   4.051
   
  No H/Q in entry =         131
  Start of MODEL    2
    1   1H    CYS 407          1H        CYS  -1  -4.827  -8.402  -4.172
    2   2H    CYS 407          2H        CYS  -1  -6.024  -7.393  -3.616
    3    HA   CYS 407           HA       CYS  -1  -4.174  -7.448  -2.104
    4   1HB   CYS 407          1HB       CYS  -1  -2.755  -6.975  -4.663
    5   2HB   CYS 407          2HB       CYS  -1  -2.176  -6.036  -3.290
    6    H    GLU 408           H        GLU   0  -5.063  -5.890  -0.847
    7    HA   GLU 408           HA       GLU   0  -5.274  -3.083  -1.895
    8   1HB   GLU 408          1HB       GLU   0  -7.007  -4.657  -0.010
    9   2HB   GLU 408          2HB       GLU   0  -7.075  -2.899  -0.059
   10   1HG   GLU 408          1HG       GLU   0  -8.647  -3.249  -1.684
   11   2HG   GLU 408          2HG       GLU   0  -7.245  -3.476  -2.726
   12    H    ALA 409           H        ALA   1  -4.968  -1.364  -0.295
   13    HA   ALA 409           HA       ALA   1  -2.749  -1.932   1.538
   14   1HB   ALA 409          1HB       ALA   1  -3.999   0.489   0.355
   15   2HB   ALA 409          2HB       ALA   1  -3.253   0.701   1.936
   16   3HB   ALA 409          3HB       ALA   1  -2.296   0.094   0.583
   17    HA   PRO 410           HA       PRO   2  -5.603  -2.555   4.984
   18   1HB   PRO 410          1HB       PRO   2  -3.632  -3.069   6.843
   19   2HB   PRO 410          2HB       PRO   2  -4.247  -4.263   5.688
   20   1HG   PRO 410          1HG       PRO   2  -1.671  -2.730   5.621
   21   2HG   PRO 410          2HG       PRO   2  -2.032  -4.356   5.012
   22   1HD   PRO 410          1HD       PRO   2  -1.832  -2.081   3.418
   23   2HD   PRO 410          2HD       PRO   2  -2.671  -3.568   2.951
   24    H    GLU 411           H        GLU   3  -5.432  -1.820   7.476
   25    HA   GLU 411           HA       GLU   3  -5.821   0.982   7.628
   26   1HB   GLU 411          1HB       GLU   3  -5.171  -1.040   9.784
   27   2HB   GLU 411          2HB       GLU   3  -5.610   0.633  10.129
   28   1HG   GLU 411          1HG       GLU   3  -7.773  -0.061  10.081
   29   2HG   GLU 411          2HG       GLU   3  -7.580  -0.199   8.334
   30    H    GLY 412           H        GLY   4  -4.423   2.668   7.669
   31   1HA   GLY 412          1HA       GLY   4  -2.457   3.880   8.410
   32   2HA   GLY 412          2HA       GLY   4  -1.664   2.344   8.762
   33    H    TYR 413           H        TYR   5  -2.313   1.050   6.277
   34    HA   TYR 413           HA       TYR   5  -0.195   1.961   4.540
   35   1HB   TYR 413          1HB       TYR   5  -1.697  -0.384   4.908
   36   2HB   TYR 413          2HB       TYR   5  -2.113   0.172   3.294
   37    HD1  TYR 413           HD1      TYR   5   0.588  -0.940   5.494
   38    HD2  TYR 413           HD2      TYR   5  -0.453   0.263   1.523
   39    HE1  TYR 413           HE1      TYR   5   2.719  -1.874   4.657
   40    HE2  TYR 413           HE2      TYR   5   1.669  -0.649   0.673
   41    HH   TYR 413           HH       TYR   5   3.644  -2.724   2.477
   42    H    ILE 414           H        ILE   6  -0.373   3.214   2.691
   43    HA   ILE 414           HA       ILE   6  -2.796   3.590   1.180
   44    HB   ILE 414           HB       ILE   6  -3.609   4.979   2.954
   45   1HG1  ILE 414          1HG1      ILE   6  -3.685   7.255   1.960
   46   2HG1  ILE 414          2HG1      ILE   6  -2.383   6.814   0.861
   47   1HG2  ILE 414          1HG2      ILE   6  -1.443   5.292   4.133
   48   2HG2  ILE 414          2HG2      ILE   6  -0.971   6.478   2.917
   49   3HG2  ILE 414          3HG2      ILE   6  -2.343   6.798   3.976
   50   1HD1  ILE 414          1HD1      ILE   6  -4.876   5.131   0.961
   51   2HD1  ILE 414          2HD1      ILE   6  -4.873   6.642   0.049
   52   3HD1  ILE 414          3HD1      ILE   6  -3.738   5.359  -0.369
   53    H    LEU 415           H        LEU   7  -1.763   3.420  -0.757
   54    HA   LEU 415           HA       LEU   7   0.651   5.111  -1.257
   55   1HB   LEU 415          1HB       LEU   7  -0.420   2.619  -2.543
   56   2HB   LEU 415          2HB       LEU   7   0.618   3.699  -3.463
   57    HG   LEU 415           HG       LEU   7   1.896   1.877  -2.362
   58   1HD1  LEU 415          1HD1      LEU   7   2.827   4.212  -2.789
   59   2HD1  LEU 415          2HD1      LEU   7   2.576   4.522  -1.070
   60   3HD1  LEU 415          3HD1      LEU   7   3.678   3.246  -1.585
   61   1HD2  LEU 415          1HD2      LEU   7   0.351   1.814  -0.315
   62   2HD2  LEU 415          2HD2      LEU   7   2.078   1.685   0.010
   63   3HD2  LEU 415          3HD2      LEU   7   1.245   3.215   0.275
   64    H    ASP 416           H        ASP   8   0.151   7.044  -2.028
   65    HA   ASP 416           HA       ASP   8  -2.281   7.793  -3.370
   66   1HB   ASP 416          1HB       ASP   8  -1.102   9.940  -3.850
   67   2HB   ASP 416          2HB       ASP   8  -0.960   9.455  -2.163
   68    H    ASP 417           H        ASP   9   0.744   6.491  -4.579
   69    HA   ASP 417           HA       ASP   9   0.668   7.286  -7.311
   70   1HB   ASP 417          1HB       ASP   9   1.660   4.609  -6.276
   71   2HB   ASP 417          2HB       ASP   9   2.182   5.443  -7.735
   72    H    GLY 418           H        GLY  10  -1.211   4.810  -5.606
   73   1HA   GLY 418          1HA       GLY  10  -3.400   4.430  -7.056
   74   2HA   GLY 418          2HA       GLY  10  -2.253   3.698  -8.174
   75    H    PHE 419           H        PHE  11  -0.566   2.582  -5.977
   76    HA   PHE 419           HA       PHE  11  -0.370   0.765  -4.567
   77   1HB   PHE 419          1HB       PHE  11  -2.515   1.730  -3.498
   78   2HB   PHE 419          2HB       PHE  11  -3.371   0.478  -4.403
   79    HD1  PHE 419           HD1      PHE  11  -0.375   0.909  -2.236
   80    HD2  PHE 419           HD2      PHE  11  -3.580  -1.662  -3.441
   81    HE1  PHE 419           HE1      PHE  11   0.347  -0.745  -0.587
   82    HE2  PHE 419           HE2      PHE  11  -2.852  -3.353  -1.780
   83    HZ   PHE 419           HZ       PHE  11  -0.882  -2.892  -0.337
   84    H    ILE 420           H        ILE  12  -0.292  -1.449  -4.668
   85    HA   ILE 420           HA       ILE  12  -1.698  -2.893  -6.843
   86    HB   ILE 420           HB       ILE  12   1.156  -3.637  -6.659
   87   1HG1  ILE 420          1HG1      ILE  12   1.699  -1.738  -8.387
   88   2HG1  ILE 420          2HG1      ILE  12   0.385  -0.876  -7.589
   89   1HG2  ILE 420          1HG2      ILE  12  -0.482  -4.584  -8.260
   90   2HG2  ILE 420          2HG2      ILE  12  -0.641  -2.994  -9.009
   91   3HG2  ILE 420          3HG2      ILE  12   0.900  -3.849  -9.074
   92   1HD1  ILE 420          1HD1      ILE  12   2.466  -2.179  -5.869
   93   2HD1  ILE 420          2HD1      ILE  12   2.891  -0.684  -6.703
   94   3HD1  ILE 420          3HD1      ILE  12   1.535  -0.711  -5.575
   95    H    CYS 421           H        CYS  13   0.917  -3.340  -4.439
   96    HA   CYS 421           HA       CYS  13  -0.456  -5.003  -2.599
   97   1HB   CYS 421          1HB       CYS  13  -0.412  -6.563  -4.676
   98   2HB   CYS 421          2HB       CYS  13   1.322  -6.687  -4.388
   99    H    THR 422           H        THR  14   0.774  -3.847  -1.096
  100    HA   THR 422           HA       THR  14   2.528  -3.410   0.371
  101    HB   THR 422           HB       THR  14   4.268  -5.407  -1.098
  102    HG1  THR 422           HG1      THR  14   3.152  -6.985  -0.252
  103   1HG2  THR 422          1HG2      THR  14   5.148  -3.862   0.735
  104   2HG2  THR 422          2HG2      THR  14   4.102  -4.749   1.846
  105   3HG2  THR 422          3HG2      THR  14   5.394  -5.590   0.992
  106    H    ASP 423           H        ASP  15   3.639  -1.554   0.266
  107    HA   ASP 423           HA       ASP  15   5.493  -0.997  -1.980
  108   1HB   ASP 423          1HB       ASP  15   3.111   0.701  -1.220
  109   2HB   ASP 423          2HB       ASP  15   4.451   1.320  -2.176
  110    H    ILE 424           H        ILE  16   4.036   0.708   0.822
  111    HA   ILE 424           HA       ILE  16   6.486   2.130   1.431
  112    HB   ILE 424           HB       ILE  16   5.283   2.957   3.435
  113   1HG1  ILE 424          1HG1      ILE  16   2.782   1.538   2.587
  114   2HG1  ILE 424          2HG1      ILE  16   3.947   0.622   3.535
  115   1HG2  ILE 424          1HG2      ILE  16   4.041   2.965   0.697
  116   2HG2  ILE 424          2HG2      ILE  16   3.197   3.777   2.021
  117   3HG2  ILE 424          3HG2      ILE  16   4.827   4.281   1.574
  118   1HD1  ILE 424          1HD1      ILE  16   2.914   3.344   4.358
  119   2HD1  ILE 424          2HD1      ILE  16   2.208   1.824   4.908
  120   3HD1  ILE 424          3HD1      ILE  16   3.874   2.224   5.326
  121    H    ASP 425           H        ASP  17   5.087  -0.886   2.639
  122    HA   ASP 425           HA       ASP  17   7.369  -1.191   4.542
  123   1HB   ASP 425          1HB       ASP  17   4.623  -2.472   4.394
  124   2HB   ASP 425          2HB       ASP  17   5.911  -3.176   5.365
  125    H    GLU 426           H        GLU  18   8.420  -1.390   2.240
  126    HA   GLU 426           HA       GLU  18   9.579  -2.650   0.687
  127   1HB   GLU 426          1HB       GLU  18   9.064  -4.730   2.832
  128   2HB   GLU 426          2HB       GLU  18   9.988  -5.109   1.383
  129   1HG   GLU 426          1HG       GLU  18  11.721  -4.419   2.754
  130   2HG   GLU 426          2HG       GLU  18  11.284  -2.867   2.049
  131    HXT  GLU 426           HXT      GLU  18   6.572  -3.591  -1.018
   
  No H/Q in entry =         131
  Start of MODEL    3
    1   1H    CYS 407          1H        CYS  -1  -4.772  -7.853  -4.436
    2   2H    CYS 407          2H        CYS  -1  -6.104  -7.318  -3.601
    3    HA   CYS 407           HA       CYS  -1  -4.386  -8.044  -2.112
    4   1HB   CYS 407          1HB       CYS  -1  -2.797  -6.507  -3.989
    5   2HB   CYS 407          2HB       CYS  -1  -2.505  -5.968  -2.335
    6    H    GLU 408           H        GLU   0  -4.736  -4.598  -3.041
    7    HA   GLU 408           HA       GLU   0  -5.613  -2.747  -1.962
    8   1HB   GLU 408          1HB       GLU   0  -6.933  -4.947  -0.404
    9   2HB   GLU 408          2HB       GLU   0  -7.175  -3.264   0.024
   10   1HG   GLU 408          1HG       GLU   0  -8.972  -3.840  -1.463
   11   2HG   GLU 408          2HG       GLU   0  -7.855  -2.848  -2.392
   12    H    ALA 409           H        ALA   1  -5.147  -1.305  -0.276
   13    HA   ALA 409           HA       ALA   1  -2.850  -2.080   1.416
   14   1HB   ALA 409          1HB       ALA   1  -3.888   0.417   0.251
   15   2HB   ALA 409          2HB       ALA   1  -3.291   0.599   1.899
   16   3HB   ALA 409          3HB       ALA   1  -2.230  -0.040   0.641
   17    HA   PRO 410           HA       PRO   2  -5.612  -2.643   4.927
   18   1HB   PRO 410          1HB       PRO   2  -3.618  -3.141   6.765
   19   2HB   PRO 410          2HB       PRO   2  -4.242  -4.342   5.622
   20   1HG   PRO 410          1HG       PRO   2  -1.676  -2.792   5.514
   21   2HG   PRO 410          2HG       PRO   2  -2.031  -4.427   4.926
   22   1HD   PRO 410          1HD       PRO   2  -1.864  -2.174   3.300
   23   2HD   PRO 410          2HD       PRO   2  -2.715  -3.669   2.868
   24    H    GLU 411           H        GLU   3  -5.440  -1.892   7.405
   25    HA   GLU 411           HA       GLU   3  -5.817   0.914   7.543
   26   1HB   GLU 411          1HB       GLU   3  -5.185  -1.101   9.714
   27   2HB   GLU 411          2HB       GLU   3  -5.623   0.575  10.045
   28   1HG   GLU 411          1HG       GLU   3  -7.786  -0.127   9.997
   29   2HG   GLU 411          2HG       GLU   3  -7.589  -0.255   8.251
   30    H    GLY 412           H        GLY   4  -4.410   2.591   7.587
   31   1HA   GLY 412          1HA       GLY   4  -2.440   3.792   8.331
   32   2HA   GLY 412          2HA       GLY   4  -1.658   2.254   8.693
   33    H    TYR 413           H        TYR   5  -2.321   0.967   6.191
   34    HA   TYR 413           HA       TYR   5  -0.176   1.868   4.480
   35   1HB   TYR 413          1HB       TYR   5  -1.674  -0.479   4.828
   36   2HB   TYR 413          2HB       TYR   5  -2.078   0.080   3.211
   37    HD1  TYR 413           HD1      TYR   5  -0.369   0.259   1.471
   38    HD2  TYR 413           HD2      TYR   5   0.575  -1.079   5.419
   39    HE1  TYR 413           HE1      TYR   5   1.776  -0.618   0.642
   40    HE2  TYR 413           HE2      TYR   5   2.727  -1.981   4.606
   41    HH   TYR 413           HH       TYR   5   3.730  -2.747   2.439
   42    H    ILE 414           H        ILE   6  -0.331   3.132   2.640
   43    HA   ILE 414           HA       ILE   6  -2.711   3.497   1.073
   44    HB   ILE 414           HB       ILE   6  -3.632   4.852   2.805
   45   1HG1  ILE 414          1HG1      ILE   6  -3.711   7.131   1.874
   46   2HG1  ILE 414          2HG1      ILE   6  -2.288   6.800   0.893
   47   1HG2  ILE 414          1HG2      ILE   6  -0.935   6.228   2.994
   48   2HG2  ILE 414          2HG2      ILE   6  -2.383   6.740   3.856
   49   3HG2  ILE 414          3HG2      ILE   6  -1.666   5.168   4.199
   50   1HD1  ILE 414          1HD1      ILE   6  -4.547   4.890   0.588
   51   2HD1  ILE 414          2HD1      ILE   6  -4.817   6.520  -0.029
   52   3HD1  ILE 414          3HD1      ILE   6  -3.464   5.565  -0.632
   53    H    LEU 415           H        LEU   7  -1.610   3.372  -0.832
   54    HA   LEU 415           HA       LEU   7   0.802   5.085  -1.230
   55   1HB   LEU 415          1HB       LEU   7  -0.271   2.655  -2.625
   56   2HB   LEU 415          2HB       LEU   7   0.763   3.770  -3.509
   57    HG   LEU 415           HG       LEU   7   2.022   1.886  -2.452
   58   1HD1  LEU 415          1HD1      LEU   7   2.978   4.214  -2.879
   59   2HD1  LEU 415          2HD1      LEU   7   2.765   4.512  -1.153
   60   3HD1  LEU 415          3HD1      LEU   7   3.838   3.225  -1.700
   61   1HD2  LEU 415          1HD2      LEU   7   0.524   1.810  -0.383
   62   2HD2  LEU 415          2HD2      LEU   7   2.255   1.708  -0.071
   63   3HD2  LEU 415          3HD2      LEU   7   1.402   3.226   0.196
   64    H    ASP 416           H        ASP   8   0.376   7.050  -1.969
   65    HA   ASP 416           HA       ASP   8  -2.043   7.943  -3.206
   66   1HB   ASP 416          1HB       ASP   8  -0.782  10.033  -3.703
   67   2HB   ASP 416          2HB       ASP   8  -0.564   9.499  -2.040
   68    H    ASP 417           H        ASP   9   0.889   6.586  -4.613
   69    HA   ASP 417           HA       ASP   9   0.649   7.411  -7.321
   70   1HB   ASP 417          1HB       ASP   9   2.660   6.319  -6.496
   71   2HB   ASP 417          2HB       ASP   9   1.759   4.864  -6.092
   72    H    GLY 418           H        GLY  10  -1.080   4.860  -5.549
   73   1HA   GLY 418          1HA       GLY  10  -3.410   4.602  -6.857
   74   2HA   GLY 418          2HA       GLY  10  -2.351   3.821  -8.027
   75    H    PHE 419           H        PHE  11  -0.581   2.676  -5.916
   76    HA   PHE 419           HA       PHE  11  -0.355   0.881  -4.502
   77   1HB   PHE 419          1HB       PHE  11  -2.354   1.906  -3.272
   78   2HB   PHE 419          2HB       PHE  11  -3.354   0.736  -4.142
   79    HD1  PHE 419           HD1      PHE  11  -0.245   0.965  -2.136
   80    HD2  PHE 419           HD2      PHE  11  -3.572  -1.465  -3.294
   81    HE1  PHE 419           HE1      PHE  11   0.517  -0.790  -0.608
   82    HE2  PHE 419           HE2      PHE  11  -2.799  -3.260  -1.767
   83    HZ   PHE 419           HZ       PHE  11  -0.749  -2.920  -0.407
   84    H    ILE 420           H        ILE  12  -0.303  -1.306  -4.578
   85    HA   ILE 420           HA       ILE  12  -1.907  -2.785  -6.583
   86    HB   ILE 420           HB       ILE  12   0.932  -3.606  -6.571
   87   1HG1  ILE 420          1HG1      ILE  12   1.402  -1.776  -8.401
   88   2HG1  ILE 420          2HG1      ILE  12   0.183  -0.849  -7.530
   89   1HG2  ILE 420          1HG2      ILE  12  -0.859  -4.540  -8.021
   90   2HG2  ILE 420          2HG2      ILE  12  -0.986  -2.975  -8.826
   91   3HG2  ILE 420          3HG2      ILE  12   0.506  -3.909  -8.943
   92   1HD1  ILE 420          1HD1      ILE  12   2.351  -2.174  -5.939
   93   2HD1  ILE 420          2HD1      ILE  12   2.754  -0.714  -6.844
   94   3HD1  ILE 420          3HD1      ILE  12   1.491  -0.670  -5.615
   95    H    CYS 421           H        CYS  13   0.915  -3.281  -4.430
   96    HA   CYS 421           HA       CYS  13  -0.388  -4.781  -2.386
   97   1HB   CYS 421          1HB       CYS  13  -0.586  -6.408  -4.392
   98   2HB   CYS 421          2HB       CYS  13   1.160  -6.599  -4.252
   99    H    THR 422           H        THR  14   0.993  -3.914  -0.868
  100    HA   THR 422           HA       THR  14   2.871  -3.515   0.406
  101    HB   THR 422           HB       THR  14   3.215  -6.088  -0.489
  102    HG1  THR 422           HG1      THR  14   5.171  -4.853   1.128
  103   1HG2  THR 422          1HG2      THR  14   5.768  -4.590  -1.169
  104   2HG2  THR 422          2HG2      THR  14   5.675  -6.332  -0.937
  105   3HG2  THR 422          3HG2      THR  14   4.799  -5.572  -2.262
  106    H    ASP 423           H        ASP  15   3.834  -1.606   0.265
  107    HA   ASP 423           HA       ASP  15   5.654  -0.945  -1.980
  108   1HB   ASP 423          1HB       ASP  15   3.169   0.638  -1.291
  109   2HB   ASP 423          2HB       ASP  15   4.466   1.262  -2.297
  110    H    ILE 424           H        ILE  16   4.016   0.721   0.756
  111    HA   ILE 424           HA       ILE  16   6.388   2.291   1.363
  112    HB   ILE 424           HB       ILE  16   5.060   3.177   3.281
  113   1HG1  ILE 424          1HG1      ILE  16   2.627   1.738   2.280
  114   2HG1  ILE 424          2HG1      ILE  16   3.705   0.850   3.351
  115   1HG2  ILE 424          1HG2      ILE  16   4.039   3.091   0.457
  116   2HG2  ILE 424          2HG2      ILE  16   3.108   3.961   1.681
  117   3HG2  ILE 424          3HG2      ILE  16   4.773   4.432   1.342
  118   1HD1  ILE 424          1HD1      ILE  16   2.513   3.568   3.958
  119   2HD1  ILE 424          2HD1      ILE  16   1.936   2.035   4.613
  120   3HD1  ILE 424          3HD1      ILE  16   3.547   2.620   5.031
  121    H    ASP 425           H        ASP  17   4.945  -0.608   2.830
  122    HA   ASP 425           HA       ASP  17   7.219  -0.722   4.764
  123   1HB   ASP 425          1HB       ASP  17   4.518  -2.117   4.755
  124   2HB   ASP 425          2HB       ASP  17   5.803  -2.510   5.890
  125    H    GLU 426           H        GLU  18   8.345  -1.199   2.593
  126    HA   GLU 426           HA       GLU  18   9.513  -2.632   1.213
  127   1HB   GLU 426          1HB       GLU  18   8.771  -4.536   3.453
  128   2HB   GLU 426          2HB       GLU  18   9.740  -5.056   2.077
  129   1HG   GLU 426          1HG       GLU  18  11.432  -4.383   3.515
  130   2HG   GLU 426          2HG       GLU  18  11.145  -2.869   2.666
  131    HXT  GLU 426           HXT      GLU  18   6.530  -3.516  -0.566
   
  No H/Q in entry =         131
  Start of MODEL    4
    1   1H    CYS 407          1H        CYS  -1  -4.792  -7.839  -4.479
    2   2H    CYS 407          2H        CYS  -1  -6.117  -7.303  -3.632
    3    HA   CYS 407           HA       CYS  -1  -4.393  -8.051  -2.159
    4   1HB   CYS 407          1HB       CYS  -1  -2.809  -6.500  -4.033
    5   2HB   CYS 407          2HB       CYS  -1  -2.503  -5.985  -2.374
    6    H    GLU 408           H        GLU   0  -4.753  -4.600  -3.063
    7    HA   GLU 408           HA       GLU   0  -5.614  -2.756  -1.961
    8   1HB   GLU 408          1HB       GLU   0  -6.916  -4.965  -0.399
    9   2HB   GLU 408          2HB       GLU   0  -7.153  -3.285   0.039
   10   1HG   GLU 408          1HG       GLU   0  -8.967  -3.848  -1.428
   11   2HG   GLU 408          2HG       GLU   0  -7.858  -2.858  -2.369
   12    H    ALA 409           H        ALA   1  -5.189  -1.339  -0.220
   13    HA   ALA 409           HA       ALA   1  -2.852  -2.115   1.426
   14   1HB   ALA 409          1HB       ALA   1  -3.902   0.387   0.279
   15   2HB   ALA 409          2HB       ALA   1  -3.288   0.563   1.921
   16   3HB   ALA 409          3HB       ALA   1  -2.239  -0.072   0.650
   17    HA   PRO 410           HA       PRO   2  -5.564  -2.677   4.974
   18   1HB   PRO 410          1HB       PRO   2  -3.544  -3.124   6.799
   19   2HB   PRO 410          2HB       PRO   2  -4.158  -4.345   5.672
   20   1HG   PRO 410          1HG       PRO   2  -1.620  -2.753   5.529
   21   2HG   PRO 410          2HG       PRO   2  -1.952  -4.400   4.957
   22   1HD   PRO 410          1HD       PRO   2  -1.837  -2.157   3.312
   23   2HD   PRO 410          2HD       PRO   2  -2.665  -3.670   2.899
   24    H    GLU 411           H        GLU   3  -5.394  -1.897   7.438
   25    HA   GLU 411           HA       GLU   3  -5.809   0.904   7.555
   26   1HB   GLU 411          1HB       GLU   3  -5.139  -1.081   9.742
   27   2HB   GLU 411          2HB       GLU   3  -5.602   0.591  10.059
   28   1HG   GLU 411          1HG       GLU   3  -7.753  -0.145  10.027
   29   2HG   GLU 411          2HG       GLU   3  -7.561  -0.286   8.280
   30    H    GLY 412           H        GLY   4  -4.427   2.603   7.583
   31   1HA   GLY 412          1HA       GLY   4  -2.471   3.839   8.306
   32   2HA   GLY 412          2HA       GLY   4  -1.667   2.316   8.683
   33    H    TYR 413           H        TYR   5  -2.315   0.994   6.196
   34    HA   TYR 413           HA       TYR   5  -0.184   1.907   4.471
   35   1HB   TYR 413          1HB       TYR   5  -1.653  -0.455   4.848
   36   2HB   TYR 413          2HB       TYR   5  -2.066   0.081   3.226
   37    HD1  TYR 413           HD1      TYR   5   0.619  -0.999   5.447
   38    HD2  TYR 413           HD2      TYR   5  -0.379   0.225   1.473
   39    HE1  TYR 413           HE1      TYR   5   2.774  -1.896   4.636
   40    HE2  TYR 413           HE2      TYR   5   1.767  -0.649   0.646
   41    HH   TYR 413           HH       TYR   5   3.742  -2.720   2.462
   42    H    ILE 414           H        ILE   6  -0.359   3.157   2.626
   43    HA   ILE 414           HA       ILE   6  -2.734   3.471   1.045
   44    HB   ILE 414           HB       ILE   6  -3.690   4.811   2.776
   45   1HG1  ILE 414          1HG1      ILE   6  -3.809   7.089   1.825
   46   2HG1  ILE 414          2HG1      ILE   6  -2.398   6.758   0.827
   47   1HG2  ILE 414          1HG2      ILE   6  -1.053   6.303   2.941
   48   2HG2  ILE 414          2HG2      ILE   6  -2.511   6.710   3.843
   49   3HG2  ILE 414          3HG2      ILE   6  -1.690   5.180   4.141
   50   1HD1  ILE 414          1HD1      ILE   6  -4.714   4.874   0.626
   51   2HD1  ILE 414          2HD1      ILE   6  -4.874   6.463  -0.122
   52   3HD1  ILE 414          3HD1      ILE   6  -3.569   5.385  -0.616
   53    H    LEU 415           H        LEU   7  -1.621   3.372  -0.853
   54    HA   LEU 415           HA       LEU   7   0.758   5.137  -1.231
   55   1HB   LEU 415          1HB       LEU   7  -0.223   2.663  -2.612
   56   2HB   LEU 415          2HB       LEU   7   0.785   3.799  -3.498
   57    HG   LEU 415           HG       LEU   7   2.102   1.982  -2.419
   58   1HD1  LEU 415          1HD1      LEU   7   2.955   4.369  -2.811
   59   2HD1  LEU 415          2HD1      LEU   7   2.734   4.612  -1.077
   60   3HD1  LEU 415          3HD1      LEU   7   3.855   3.382  -1.660
   61   1HD2  LEU 415          1HD2      LEU   7   0.575   1.831  -0.379
   62   2HD2  LEU 415          2HD2      LEU   7   2.303   1.804  -0.034
   63   3HD2  LEU 415          3HD2      LEU   7   1.378   3.282   0.222
   64    H    ASP 416           H        ASP   8   0.281   7.082  -1.980
   65    HA   ASP 416           HA       ASP   8  -2.141   7.872  -3.304
   66   1HB   ASP 416          1HB       ASP   8  -0.950  10.022  -3.740
   67   2HB   ASP 416          2HB       ASP   8  -0.802   9.496  -2.067
   68    H    ASP 417           H        ASP   9   0.884   6.602  -4.563
   69    HA   ASP 417           HA       ASP   9   0.766   7.457  -7.278
   70   1HB   ASP 417          1HB       ASP   9   1.814   4.779  -6.299
   71   2HB   ASP 417          2HB       ASP   9   2.299   5.636  -7.758
   72    H    GLY 418           H        GLY  10  -1.057   4.926  -5.600
   73   1HA   GLY 418          1HA       GLY  10  -3.252   4.569  -7.080
   74   2HA   GLY 418          2HA       GLY  10  -2.089   3.800  -8.157
   75    H    PHE 419           H        PHE  11  -0.448   2.692  -5.954
   76    HA   PHE 419           HA       PHE  11  -0.268   0.889  -4.541
   77   1HB   PHE 419          1HB       PHE  11  -2.273   1.954  -3.359
   78   2HB   PHE 419          2HB       PHE  11  -3.278   0.800  -4.244
   79    HD1  PHE 419           HD1      PHE  11  -0.210   0.977  -2.165
   80    HD2  PHE 419           HD2      PHE  11  -3.555  -1.393  -3.395
   81    HE1  PHE 419           HE1      PHE  11   0.481  -0.788  -0.613
   82    HE2  PHE 419           HE2      PHE  11  -2.854  -3.197  -1.845
   83    HZ   PHE 419           HZ       PHE  11  -0.834  -2.890  -0.435
   84    H    ILE 420           H        ILE  12  -0.256  -1.312  -4.593
   85    HA   ILE 420           HA       ILE  12  -1.842  -2.778  -6.623
   86    HB   ILE 420           HB       ILE  12   0.988  -3.628  -6.570
   87   1HG1  ILE 420          1HG1      ILE  12   1.499  -1.815  -8.402
   88   2HG1  ILE 420          2HG1      ILE  12   0.275  -0.872  -7.557
   89   1HG2  ILE 420          1HG2      ILE  12  -0.792  -4.555  -8.036
   90   2HG2  ILE 420          2HG2      ILE  12  -0.898  -2.994  -8.851
   91   3HG2  ILE 420          3HG2      ILE  12   0.589  -3.940  -8.946
   92   1HD1  ILE 420          1HD1      ILE  12   2.438  -2.202  -5.951
   93   2HD1  ILE 420          2HD1      ILE  12   2.817  -0.718  -6.826
   94   3HD1  ILE 420          3HD1      ILE  12   1.546  -0.722  -5.602
   95    H    CYS 421           H        CYS  13   0.938  -3.304  -4.426
   96    HA   CYS 421           HA       CYS  13  -0.421  -4.809  -2.419
   97   1HB   CYS 421          1HB       CYS  13  -0.561  -6.425  -4.435
   98   2HB   CYS 421          2HB       CYS  13   1.183  -6.610  -4.257
   99    H    THR 422           H        THR  14   0.919  -3.800  -0.933
  100    HA   THR 422           HA       THR  14   2.773  -3.440   0.429
  101    HB   THR 422           HB       THR  14   4.380  -5.397  -1.238
  102    HG1  THR 422           HG1      THR  14   3.056  -6.879  -0.584
  103   1HG2  THR 422          1HG2      THR  14   5.205  -3.831   0.755
  104   2HG2  THR 422          2HG2      THR  14   4.516  -5.129   1.733
  105   3HG2  THR 422          3HG2      THR  14   5.797  -5.482   0.574
  106    H    ASP 423           H        ASP  15   3.780  -1.532   0.269
  107    HA   ASP 423           HA       ASP  15   5.605  -0.948  -1.992
  108   1HB   ASP 423          1HB       ASP  15   3.170   0.700  -1.280
  109   2HB   ASP 423          2HB       ASP  15   4.484   1.315  -2.272
  110    H    ILE 424           H        ILE  16   4.084   0.612   0.868
  111    HA   ILE 424           HA       ILE  16   6.492   2.184   1.416
  112    HB   ILE 424           HB       ILE  16   5.208   3.077   3.354
  113   1HG1  ILE 424          1HG1      ILE  16   2.751   1.634   2.411
  114   2HG1  ILE 424          2HG1      ILE  16   3.857   0.756   3.463
  115   1HG2  ILE 424          1HG2      ILE  16   4.078   3.009   0.566
  116   2HG2  ILE 424          2HG2      ILE  16   3.224   3.897   1.831
  117   3HG2  ILE 424          3HG2      ILE  16   4.881   4.334   1.414
  118   1HD1  ILE 424          1HD1      ILE  16   2.713   3.489   4.097
  119   2HD1  ILE 424          2HD1      ILE  16   2.076   1.967   4.723
  120   3HD1  ILE 424          3HD1      ILE  16   3.703   2.487   5.160
  121    H    ASP 425           H        ASP  17   5.144  -0.814   2.710
  122    HA   ASP 425           HA       ASP  17   7.298  -0.894   4.774
  123   1HB   ASP 425          1HB       ASP  17   4.606  -2.264   4.569
  124   2HB   ASP 425          2HB       ASP  17   5.853  -2.860   5.659
  125    H    GLU 426           H        GLU  18   8.691  -1.305   2.819
  126    HA   GLU 426           HA       GLU  18   8.787  -4.226   2.152
  127   1HB   GLU 426          1HB       GLU  18   9.480  -1.928   0.284
  128   2HB   GLU 426          2HB       GLU  18   9.579  -3.646  -0.103
  129   1HG   GLU 426          1HG       GLU  18   7.032  -3.599   0.689
  130   2HG   GLU 426          2HG       GLU  18   7.159  -1.911   0.224
  131    HXT  GLU 426           HXT      GLU  18  11.919  -3.412   3.742
   
  No H/Q in entry =         131
  Start of MODEL    5
    1   1H    CYS 407          1H        CYS  -1  -4.795  -8.874  -4.108
    2   2H    CYS 407          2H        CYS  -1  -6.073  -8.085  -3.399
    3    HA   CYS 407           HA       CYS  -1  -4.063  -7.771  -2.145
    4   1HB   CYS 407          1HB       CYS  -1  -3.100  -7.050  -4.866
    5   2HB   CYS 407          2HB       CYS  -1  -2.493  -6.073  -3.533
    6    H    GLU 408           H        GLU   0  -4.236  -6.026  -0.784
    7    HA   GLU 408           HA       GLU   0  -5.271  -3.439  -1.809
    8   1HB   GLU 408          1HB       GLU   0  -6.967  -3.300  -0.021
    9   2HB   GLU 408          2HB       GLU   0  -7.282  -4.645  -1.111
   10   1HG   GLU 408          1HG       GLU   0  -7.556  -5.724   0.925
   11   2HG   GLU 408          2HG       GLU   0  -5.837  -5.991   0.672
   12    H    ALA 409           H        ALA   1  -5.341  -1.782   0.090
   13    HA   ALA 409           HA       ALA   1  -2.817  -2.046   1.663
   14   1HB   ALA 409          1HB       ALA   1  -4.039   0.164   0.144
   15   2HB   ALA 409          2HB       ALA   1  -3.467   0.629   1.744
   16   3HB   ALA 409          3HB       ALA   1  -2.353  -0.104   0.588
   17    HA   PRO 410           HA       PRO   2  -5.806  -2.409   5.042
   18   1HB   PRO 410          1HB       PRO   2  -3.921  -3.059   6.944
   19   2HB   PRO 410          2HB       PRO   2  -4.620  -4.211   5.794
   20   1HG   PRO 410          1HG       PRO   2  -1.912  -2.932   5.764
   21   2HG   PRO 410          2HG       PRO   2  -2.419  -4.515   5.146
   22   1HD   PRO 410          1HD       PRO   2  -1.979  -2.242   3.576
   23   2HD   PRO 410          2HD       PRO   2  -2.899  -3.668   3.067
   24    H    GLU 411           H        GLU   3  -5.542  -1.671   7.552
   25    HA   GLU 411           HA       GLU   3  -5.786   1.141   7.671
   26   1HB   GLU 411          1HB       GLU   3  -5.155  -0.879   9.834
   27   2HB   GLU 411          2HB       GLU   3  -5.503   0.818  10.170
   28   1HG   GLU 411          1HG       GLU   3  -7.699   0.238  10.195
   29   2HG   GLU 411          2HG       GLU   3  -7.567   0.045   8.447
   30    H    GLY 412           H        GLY   4  -4.317   2.762   7.625
   31   1HA   GLY 412          1HA       GLY   4  -2.283   3.904   8.285
   32   2HA   GLY 412          2HA       GLY   4  -1.544   2.344   8.645
   33    H    TYR 413           H        TYR   5  -2.400   1.085   6.140
   34    HA   TYR 413           HA       TYR   5  -0.239   1.862   4.383
   35   1HB   TYR 413          1HB       TYR   5  -1.877  -0.398   4.746
   36   2HB   TYR 413          2HB       TYR   5  -2.234   0.191   3.127
   37    HD1  TYR 413           HD1      TYR   5  -0.487   0.314   1.410
   38    HD2  TYR 413           HD2      TYR   5   0.309  -1.153   5.344
   39    HE1  TYR 413           HE1      TYR   5   1.628  -0.661   0.606
   40    HE2  TYR 413           HE2      TYR   5   2.423  -2.156   4.553
   41    HH   TYR 413           HH       TYR   5   3.476  -2.889   2.455
   42    H    ILE 414           H        ILE   6  -0.353   3.185   2.597
   43    HA   ILE 414           HA       ILE   6  -2.698   3.654   1.018
   44    HB   ILE 414           HB       ILE   6  -3.619   4.976   2.779
   45   1HG1  ILE 414          1HG1      ILE   6  -3.645   7.282   1.905
   46   2HG1  ILE 414          2HG1      ILE   6  -2.225   6.942   0.924
   47   1HG2  ILE 414          1HG2      ILE   6  -0.908   6.313   3.031
   48   2HG2  ILE 414          2HG2      ILE   6  -2.359   6.813   3.896
   49   3HG2  ILE 414          3HG2      ILE   6  -1.656   5.225   4.198
   50   1HD1  ILE 414          1HD1      ILE   6  -4.575   5.129   0.593
   51   2HD1  ILE 414          2HD1      ILE   6  -4.707   6.758  -0.068
   52   3HD1  ILE 414          3HD1      ILE   6  -3.410   5.692  -0.606
   53    H    LEU 415           H        LEU   7  -1.518   3.506  -0.849
   54    HA   LEU 415           HA       LEU   7   0.907   5.213  -1.171
   55   1HB   LEU 415          1HB       LEU   7  -0.164   2.819  -2.619
   56   2HB   LEU 415          2HB       LEU   7   0.870   3.945  -3.488
   57    HG   LEU 415           HG       LEU   7   2.142   2.062  -2.475
   58   1HD1  LEU 415          1HD1      LEU   7   3.061   4.436  -2.802
   59   2HD1  LEU 415          2HD1      LEU   7   2.867   4.628  -1.060
   60   3HD1  LEU 415          3HD1      LEU   7   3.944   3.385  -1.696
   61   1HD2  LEU 415          1HD2      LEU   7   0.615   1.917  -0.424
   62   2HD2  LEU 415          2HD2      LEU   7   2.344   1.790  -0.107
   63   3HD2  LEU 415          3HD2      LEU   7   1.499   3.303   0.213
   64    H    ASP 416           H        ASP   8   0.526   7.196  -1.884
   65    HA   ASP 416           HA       ASP   8  -1.868   8.136  -3.152
   66   1HB   ASP 416          1HB       ASP   8  -0.575  10.230  -3.567
   67   2HB   ASP 416          2HB       ASP   8  -0.432   9.663  -1.907
   68    H    ASP 417           H        ASP   9   1.069   6.755  -4.499
   69    HA   ASP 417           HA       ASP   9   0.927   7.680  -7.194
   70   1HB   ASP 417          1HB       ASP   9   1.905   4.948  -6.297
   71   2HB   ASP 417          2HB       ASP   9   2.387   5.821  -7.745
   72    H    GLY 418           H        GLY  10  -0.956   5.188  -5.530
   73   1HA   GLY 418          1HA       GLY  10  -3.190   4.925  -6.960
   74   2HA   GLY 418          2HA       GLY  10  -2.079   4.150  -8.087
   75    H    PHE 419           H        PHE  11  -0.413   2.945  -5.962
   76    HA   PHE 419           HA       PHE  11  -0.243   1.113  -4.588
   77   1HB   PHE 419          1HB       PHE  11  -2.204   2.183  -3.340
   78   2HB   PHE 419          2HB       PHE  11  -3.247   1.066  -4.229
   79    HD1  PHE 419           HD1      PHE  11  -0.115   1.131  -2.241
   80    HD2  PHE 419           HD2      PHE  11  -3.557  -1.131  -3.400
   81    HE1  PHE 419           HE1      PHE  11   0.587  -0.678  -0.758
   82    HE2  PHE 419           HE2      PHE  11  -2.840  -2.982  -1.916
   83    HZ   PHE 419           HZ       PHE  11  -0.765  -2.754  -0.572
   84    H    ILE 420           H        ILE  12  -0.273  -1.084  -4.686
   85    HA   ILE 420           HA       ILE  12  -1.926  -2.482  -6.705
   86    HB   ILE 420           HB       ILE  12   0.895  -3.365  -6.753
   87   1HG1  ILE 420          1HG1      ILE  12   1.370  -1.525  -8.568
   88   2HG1  ILE 420          2HG1      ILE  12   0.180  -0.586  -7.672
   89   1HG2  ILE 420          1HG2      ILE  12  -0.915  -4.263  -8.187
   90   2HG2  ILE 420          2HG2      ILE  12  -1.072  -2.680  -8.952
   91   3HG2  ILE 420          3HG2      ILE  12   0.420  -3.603  -9.135
   92   1HD1  ILE 420          1HD1      ILE  12   2.328  -1.964  -6.107
   93   2HD1  ILE 420          2HD1      ILE  12   2.774  -0.525  -7.026
   94   3HD1  ILE 420          3HD1      ILE  12   1.522  -0.427  -5.786
   95    H    CYS 421           H        CYS  13   0.892  -3.059  -4.559
   96    HA   CYS 421           HA       CYS  13  -0.433  -4.623  -2.574
   97   1HB   CYS 421          1HB       CYS  13  -0.591  -6.153  -4.684
   98   2HB   CYS 421          2HB       CYS  13   1.137  -6.398  -4.453
   99    H    THR 422           H        THR  14   0.955  -3.982  -0.943
  100    HA   THR 422           HA       THR  14   2.886  -3.724   0.352
  101    HB   THR 422           HB       THR  14   4.130  -5.669  -1.632
  102    HG1  THR 422           HG1      THR  14   2.850  -7.027  -0.690
  103   1HG2  THR 422          1HG2      THR  14   4.948  -4.710   1.114
  104   2HG2  THR 422          2HG2      THR  14   5.575  -6.196   0.398
  105   3HG2  THR 422          3HG2      THR  14   5.878  -4.643  -0.382
  106    H    ASP 423           H        ASP  15   3.512  -1.618   0.119
  107    HA   ASP 423           HA       ASP  15   5.510  -0.970  -1.995
  108   1HB   ASP 423          1HB       ASP  15   2.952   0.544  -1.434
  109   2HB   ASP 423          2HB       ASP  15   4.281   1.220  -2.368
  110    H    ILE 424           H        ILE  16   4.020   0.104   1.109
  111    HA   ILE 424           HA       ILE  16   6.352   1.916   1.554
  112    HB   ILE 424           HB       ILE  16   4.957   2.912   3.397
  113   1HG1  ILE 424          1HG1      ILE  16   2.556   1.563   2.184
  114   2HG1  ILE 424          2HG1      ILE  16   3.471   0.706   3.422
  115   1HG2  ILE 424          1HG2      ILE  16   4.020   2.886   0.529
  116   2HG2  ILE 424          2HG2      ILE  16   3.268   3.930   1.734
  117   3HG2  ILE 424          3HG2      ILE  16   4.982   4.107   1.361
  118   1HD1  ILE 424          1HD1      ILE  16   3.267   2.832   4.836
  119   2HD1  ILE 424          2HD1      ILE  16   2.062   3.368   3.664
  120   3HD1  ILE 424          3HD1      ILE  16   1.788   1.900   4.603
  121    H    ASP 425           H        ASP  17   4.933  -1.015   2.906
  122    HA   ASP 425           HA       ASP  17   6.684  -0.808   5.301
  123   1HB   ASP 425          1HB       ASP  17   4.230  -2.404   4.634
  124   2HB   ASP 425          2HB       ASP  17   5.310  -2.978   5.899
  125    H    GLU 426           H        GLU  18   8.448  -1.109   3.539
  126    HA   GLU 426           HA       GLU  18   9.182  -4.000   3.420
  127   1HB   GLU 426          1HB       GLU  18   9.413  -1.908   1.246
  128   2HB   GLU 426          2HB       GLU  18  10.345  -3.404   1.219
  129   1HG   GLU 426          1HG       GLU  18   8.553  -4.353   0.228
  130   2HG   GLU 426          2HG       GLU  18   7.762  -4.270   1.795
  131    HXT  GLU 426           HXT      GLU  18  11.813  -2.275   5.179
   
  No H/Q in entry =         131
  Start of MODEL    6
    1   1H    CYS 407          1H        CYS  -1  -4.769  -7.901  -4.326
    2   2H    CYS 407          2H        CYS  -1  -6.100  -7.340  -3.505
    3    HA   CYS 407           HA       CYS  -1  -4.371  -8.005  -1.997
    4   1HB   CYS 407          1HB       CYS  -1  -2.792  -6.568  -3.945
    5   2HB   CYS 407          2HB       CYS  -1  -2.512  -5.908  -2.334
    6    H    GLU 408           H        GLU   0  -4.679  -4.586  -3.038
    7    HA   GLU 408           HA       GLU   0  -5.535  -2.691  -2.023
    8   1HB   GLU 408          1HB       GLU   0  -6.929  -4.823  -0.434
    9   2HB   GLU 408          2HB       GLU   0  -7.143  -3.125  -0.054
   10   1HG   GLU 408          1HG       GLU   0  -8.926  -3.703  -1.560
   11   2HG   GLU 408          2HG       GLU   0  -7.772  -2.757  -2.491
   12    H    ALA 409           H        ALA   1  -5.130  -1.228  -0.312
   13    HA   ALA 409           HA       ALA   1  -2.840  -1.983   1.397
   14   1HB   ALA 409          1HB       ALA   1  -3.921   0.528   0.266
   15   2HB   ALA 409          2HB       ALA   1  -3.239   0.677   1.883
   16   3HB   ALA 409          3HB       ALA   1  -2.249   0.051   0.564
   17    HA   PRO 410           HA       PRO   2  -5.659  -2.566   4.868
   18   1HB   PRO 410          1HB       PRO   2  -3.688  -3.151   6.706
   19   2HB   PRO 410          2HB       PRO   2  -4.337  -4.312   5.537
   20   1HG   PRO 410          1HG       PRO   2  -1.729  -2.831   5.475
   21   2HG   PRO 410          2HG       PRO   2  -2.126  -4.442   4.848
   22   1HD   PRO 410          1HD       PRO   2  -1.890  -2.156   3.276
   23   2HD   PRO 410          2HD       PRO   2  -2.771  -3.618   2.802
   24    H    GLU 411           H        GLU   3  -5.458  -1.876   7.369
   25    HA   GLU 411           HA       GLU   3  -5.793   0.930   7.571
   26   1HB   GLU 411          1HB       GLU   3  -5.166  -1.139   9.691
   27   2HB   GLU 411          2HB       GLU   3  -5.579   0.534  10.065
   28   1HG   GLU 411          1HG       GLU   3  -7.750  -0.134  10.021
   29   2HG   GLU 411          2HG       GLU   3  -7.572  -0.233   8.270
   30    H    GLY 412           H        GLY   4  -4.362   2.587   7.628
   31   1HA   GLY 412          1HA       GLY   4  -2.369   3.751   8.370
   32   2HA   GLY 412          2HA       GLY   4  -1.606   2.197   8.705
   33    H    TYR 413           H        TYR   5  -2.295   0.947   6.202
   34    HA   TYR 413           HA       TYR   5  -0.159   1.838   4.476
   35   1HB   TYR 413          1HB       TYR   5  -1.691  -0.489   4.822
   36   2HB   TYR 413          2HB       TYR   5  -2.096   0.086   3.212
   37    HD1  TYR 413           HD1      TYR   5  -0.397   0.247   1.463
   38    HD2  TYR 413           HD2      TYR   5   0.550  -1.125   5.398
   39    HE1  TYR 413           HE1      TYR   5   1.734  -0.654   0.620
   40    HE2  TYR 413           HE2      TYR   5   2.684  -2.051   4.570
   41    HH   TYR 413           HH       TYR   5   3.716  -2.774   2.461
   42    H    ILE 414           H        ILE   6  -0.322   3.113   2.631
   43    HA   ILE 414           HA       ILE   6  -2.733   3.510   1.119
   44    HB   ILE 414           HB       ILE   6  -3.623   4.887   2.833
   45   1HG1  ILE 414          1HG1      ILE   6  -3.609   7.200   1.956
   46   2HG1  ILE 414          2HG1      ILE   6  -2.208   6.832   0.961
   47   1HG2  ILE 414          1HG2      ILE   6  -0.854   6.087   3.085
   48   2HG2  ILE 414          2HG2      ILE   6  -2.280   6.771   3.864
   49   3HG2  ILE 414          3HG2      ILE   6  -1.738   5.149   4.290
   50   1HD1  ILE 414          1HD1      ILE   6  -3.658   4.983  -0.100
   51   2HD1  ILE 414          2HD1      ILE   6  -5.026   5.771   0.688
   52   3HD1  ILE 414          3HD1      ILE   6  -4.065   6.651  -0.504
   53    H    LEU 415           H        LEU   7  -1.668   3.333  -0.791
   54    HA   LEU 415           HA       LEU   7   0.654   5.148  -1.308
   55   1HB   LEU 415          1HB       LEU   7  -0.304   2.622  -2.618
   56   2HB   LEU 415          2HB       LEU   7   0.665   3.777  -3.523
   57    HG   LEU 415           HG       LEU   7   2.050   1.992  -2.483
   58   1HD1  LEU 415          1HD1      LEU   7   2.831   4.411  -2.851
   59   2HD1  LEU 415          2HD1      LEU   7   2.638   4.614  -1.109
   60   3HD1  LEU 415          3HD1      LEU   7   3.778   3.425  -1.737
   61   1HD2  LEU 415          1HD2      LEU   7   0.528   1.819  -0.415
   62   2HD2  LEU 415          2HD2      LEU   7   2.264   1.743  -0.124
   63   3HD2  LEU 415          3HD2      LEU   7   1.383   3.236   0.194
   64    H    ASP 416           H        ASP   8  -0.148   7.059  -1.890
   65    HA   ASP 416           HA       ASP   8  -2.639   7.554  -3.219
   66   1HB   ASP 416          1HB       ASP   8  -0.200   9.344  -2.955
   67   2HB   ASP 416          2HB       ASP   8  -1.808   9.870  -3.428
   68    H    ASP 417           H        ASP   9   0.489   6.665  -4.485
   69    HA   ASP 417           HA       ASP   9   0.324   7.746  -7.137
   70   1HB   ASP 417          1HB       ASP   9   1.668   5.133  -6.372
   71   2HB   ASP 417          2HB       ASP   9   2.085   6.198  -7.709
   72    H    GLY 418           H        GLY  10  -1.194   4.913  -5.645
   73   1HA   GLY 418          1HA       GLY  10  -3.310   4.461  -7.283
   74   2HA   GLY 418          2HA       GLY  10  -2.015   3.746  -8.239
   75    H    PHE 419           H        PHE  11  -0.458   2.678  -6.071
   76    HA   PHE 419           HA       PHE  11  -0.240   0.888  -4.645
   77   1HB   PHE 419          1HB       PHE  11  -2.194   1.973  -3.412
   78   2HB   PHE 419          2HB       PHE  11  -3.241   0.828  -4.259
   79    HD1  PHE 419           HD1      PHE  11  -0.104   0.966  -2.281
   80    HD2  PHE 419           HD2      PHE  11  -3.529  -1.354  -3.372
   81    HE1  PHE 419           HE1      PHE  11   0.606  -0.786  -0.733
   82    HE2  PHE 419           HE2      PHE  11  -2.806  -3.154  -1.824
   83    HZ   PHE 419           HZ       PHE  11  -0.731  -2.868  -0.487
   84    H    ILE 420           H        ILE  12  -0.243  -1.307  -4.649
   85    HA   ILE 420           HA       ILE  12  -1.898  -2.818  -6.584
   86    HB   ILE 420           HB       ILE  12   0.927  -3.685  -6.602
   87   1HG1  ILE 420          1HG1      ILE  12   1.387  -1.927  -8.502
   88   2HG1  ILE 420          2HG1      ILE  12   0.202  -0.952  -7.639
   89   1HG2  ILE 420          1HG2      ILE  12  -0.882  -4.652  -7.991
   90   2HG2  ILE 420          2HG2      ILE  12  -1.046  -3.106  -8.825
   91   3HG2  ILE 420          3HG2      ILE  12   0.448  -4.032  -8.970
   92   1HD1  ILE 420          1HD1      ILE  12   2.380  -2.258  -6.048
   93   2HD1  ILE 420          2HD1      ILE  12   2.787  -0.836  -7.010
   94   3HD1  ILE 420          3HD1      ILE  12   1.549  -0.731  -5.758
   95    H    CYS 421           H        CYS  13   0.943  -3.261  -4.446
   96    HA   CYS 421           HA       CYS  13  -0.327  -4.672  -2.329
   97   1HB   CYS 421          1HB       CYS  13  -0.610  -6.369  -4.266
   98   2HB   CYS 421          2HB       CYS  13   1.134  -6.589  -4.163
   99    H    THR 422           H        THR  14   1.119  -3.994  -0.776
  100    HA   THR 422           HA       THR  14   3.098  -3.694   0.435
  101    HB   THR 422           HB       THR  14   4.307  -5.644  -1.565
  102    HG1  THR 422           HG1      THR  14   3.093  -7.010  -0.549
  103   1HG2  THR 422          1HG2      THR  14   5.213  -4.616   1.129
  104   2HG2  THR 422          2HG2      THR  14   5.853  -6.092   0.405
  105   3HG2  THR 422          3HG2      THR  14   6.075  -4.543  -0.408
  106    H    ASP 423           H        ASP  15   3.661  -1.585   0.142
  107    HA   ASP 423           HA       ASP  15   5.541  -0.911  -2.068
  108   1HB   ASP 423          1HB       ASP  15   2.949   0.508  -1.432
  109   2HB   ASP 423          2HB       ASP  15   4.221   1.246  -2.397
  110    H    ILE 424           H        ILE  16   4.098   0.217   1.040
  111    HA   ILE 424           HA       ILE  16   6.394   2.088   1.392
  112    HB   ILE 424           HB       ILE  16   5.021   3.084   3.247
  113   1HG1  ILE 424          1HG1      ILE  16   2.635   1.614   2.149
  114   2HG1  ILE 424          2HG1      ILE  16   3.617   0.832   3.384
  115   1HG2  ILE 424          1HG2      ILE  16   3.937   2.940   0.429
  116   2HG2  ILE 424          2HG2      ILE  16   3.275   4.038   1.639
  117   3HG2  ILE 424          3HG2      ILE  16   4.959   4.188   1.140
  118   1HD1  ILE 424          1HD1      ILE  16   3.369   2.953   4.763
  119   2HD1  ILE 424          2HD1      ILE  16   2.155   3.472   3.592
  120   3HD1  ILE 424          3HD1      ILE  16   1.893   2.013   4.548
  121    H    ASP 425           H        ASP  17   5.113  -0.861   2.838
  122    HA   ASP 425           HA       ASP  17   6.914  -0.543   5.184
  123   1HB   ASP 425          1HB       ASP  17   4.505  -2.240   4.608
  124   2HB   ASP 425          2HB       ASP  17   5.635  -2.752   5.853
  125    H    GLU 426           H        GLU  18   8.640  -0.816   3.373
  126    HA   GLU 426           HA       GLU  18   9.487  -3.678   3.306
  127   1HB   GLU 426          1HB       GLU  18   9.559  -1.642   1.068
  128   2HB   GLU 426          2HB       GLU  18  10.555  -3.099   1.051
  129   1HG   GLU 426          1HG       GLU  18   8.774  -4.153   0.151
  130   2HG   GLU 426          2HG       GLU  18   8.028  -4.053   1.738
  131    HXT  GLU 426           HXT      GLU  18  12.099  -1.801   4.930
   
  No H/Q in entry =         131
  Start of MODEL    7
    1   1H    CYS 407          1H        CYS  -1  -4.855  -7.902  -4.341
    2   2H    CYS 407          2H        CYS  -1  -6.169  -7.305  -3.519
    3    HA   CYS 407           HA       CYS  -1  -4.443  -7.979  -2.013
    4   1HB   CYS 407          1HB       CYS  -1  -2.852  -6.542  -3.983
    5   2HB   CYS 407          2HB       CYS  -1  -2.528  -5.959  -2.349
    6    H    GLU 408           H        GLU   0  -4.681  -4.567  -3.097
    7    HA   GLU 408           HA       GLU   0  -5.468  -2.641  -2.096
    8   1HB   GLU 408          1HB       GLU   0  -7.158  -4.745  -1.139
    9   2HB   GLU 408          2HB       GLU   0  -6.946  -3.548   0.132
   10   1HG   GLU 408          1HG       GLU   0  -7.520  -2.663  -2.690
   11   2HG   GLU 408          2HG       GLU   0  -8.835  -3.192  -1.651
   12    H    ALA 409           H        ALA   1  -5.174  -1.206  -0.307
   13    HA   ALA 409           HA       ALA   1  -2.848  -1.935   1.368
   14   1HB   ALA 409          1HB       ALA   1  -3.998   0.556   0.273
   15   2HB   ALA 409          2HB       ALA   1  -3.322   0.708   1.893
   16   3HB   ALA 409          3HB       ALA   1  -2.313   0.125   0.567
   17    HA   PRO 410           HA       PRO   2  -5.627  -2.624   4.857
   18   1HB   PRO 410          1HB       PRO   2  -3.634  -3.247   6.655
   19   2HB   PRO 410          2HB       PRO   2  -4.281  -4.379   5.457
   20   1HG   PRO 410          1HG       PRO   2  -1.689  -2.877   5.425
   21   2HG   PRO 410          2HG       PRO   2  -2.078  -4.467   4.744
   22   1HD   PRO 410          1HD       PRO   2  -1.872  -2.111   3.263
   23   2HD   PRO 410          2HD       PRO   2  -2.717  -3.576   2.730
   24    H    GLU 411           H        GLU   3  -5.265  -2.024   7.416
   25    HA   GLU 411           HA       GLU   3  -5.658   0.781   7.687
   26   1HB   GLU 411          1HB       GLU   3  -4.942  -1.341   9.724
   27   2HB   GLU 411          2HB       GLU   3  -5.357   0.317  10.163
   28   1HG   GLU 411          1HG       GLU   3  -7.522  -0.373  10.171
   29   2HG   GLU 411          2HG       GLU   3  -7.401  -0.416   8.413
   30    H    GLY 412           H        GLY   4  -4.261   2.468   7.849
   31   1HA   GLY 412          1HA       GLY   4  -2.268   3.663   8.402
   32   2HA   GLY 412          2HA       GLY   4  -1.510   2.147   8.879
   33    H    TYR 413           H        TYR   5  -2.793   1.384   5.938
   34    HA   TYR 413           HA       TYR   5  -0.286   1.995   4.458
   35   1HB   TYR 413          1HB       TYR   5  -1.771  -0.350   4.825
   36   2HB   TYR 413          2HB       TYR   5  -2.164   0.167   3.194
   37    HD1  TYR 413           HD1      TYR   5   0.499  -0.877   5.461
   38    HD2  TYR 413           HD2      TYR   5  -0.468   0.258   1.453
   39    HE1  TYR 413           HE1      TYR   5   2.663  -1.791   4.684
   40    HE2  TYR 413           HE2      TYR   5   1.679  -0.634   0.661
   41    HH   TYR 413           HH       TYR   5   3.646  -2.663   2.538
   42    H    ILE 414           H        ILE   6  -0.405   3.186   2.532
   43    HA   ILE 414           HA       ILE   6  -2.770   3.520   0.945
   44    HB   ILE 414           HB       ILE   6  -3.745   4.929   2.587
   45   1HG1  ILE 414          1HG1      ILE   6  -3.707   7.228   1.660
   46   2HG1  ILE 414          2HG1      ILE   6  -2.277   6.835   0.714
   47   1HG2  ILE 414          1HG2      ILE   6  -1.007   6.184   2.915
   48   2HG2  ILE 414          2HG2      ILE   6  -2.473   6.845   3.635
   49   3HG2  ILE 414          3HG2      ILE   6  -1.907   5.244   4.105
   50   1HD1  ILE 414          1HD1      ILE   6  -3.678   4.968  -0.353
   51   2HD1  ILE 414          2HD1      ILE   6  -5.077   5.730   0.402
   52   3HD1  ILE 414          3HD1      ILE   6  -4.120   6.621  -0.783
   53    H    LEU 415           H        LEU   7  -1.685   3.376  -0.947
   54    HA   LEU 415           HA       LEU   7   0.653   5.192  -1.396
   55   1HB   LEU 415          1HB       LEU   7  -0.204   2.623  -2.694
   56   2HB   LEU 415          2HB       LEU   7   0.799   3.771  -3.566
   57    HG   LEU 415           HG       LEU   7   2.148   2.029  -2.421
   58   1HD1  LEU 415          1HD1      LEU   7   2.913   4.454  -2.780
   59   2HD1  LEU 415          2HD1      LEU   7   2.623   4.677  -1.054
   60   3HD1  LEU 415          3HD1      LEU   7   3.812   3.496  -1.605
   61   1HD2  LEU 415          1HD2      LEU   7   0.519   1.856  -0.441
   62   2HD2  LEU 415          2HD2      LEU   7   2.237   1.824  -0.047
   63   3HD2  LEU 415          3HD2      LEU   7   1.306   3.301   0.194
   64    H    ASP 416           H        ASP   8  -0.177   7.072  -2.028
   65    HA   ASP 416           HA       ASP   8  -2.591   7.483  -3.523
   66   1HB   ASP 416          1HB       ASP   8  -0.232   9.348  -3.098
   67   2HB   ASP 416          2HB       ASP   8  -1.818   9.824  -3.688
   68    H    ASP 417           H        ASP   9   0.635   6.663  -4.557
   69    HA   ASP 417           HA       ASP   9   0.641   7.732  -7.219
   70   1HB   ASP 417          1HB       ASP   9   1.982   5.152  -6.341
   71   2HB   ASP 417          2HB       ASP   9   2.470   6.217  -7.653
   72    H    GLY 418           H        GLY  10  -0.913   4.867  -5.821
   73   1HA   GLY 418          1HA       GLY  10  -2.887   4.385  -7.640
   74   2HA   GLY 418          2HA       GLY  10  -1.505   3.647  -8.446
   75    H    PHE 419           H        PHE  11  -0.154   2.607  -6.155
   76    HA   PHE 419           HA       PHE  11  -0.067   0.837  -4.689
   77   1HB   PHE 419          1HB       PHE  11  -2.061   2.003  -3.604
   78   2HB   PHE 419          2HB       PHE  11  -3.089   0.873  -4.494
   79    HD1  PHE 419           HD1      PHE  11  -0.100   0.973  -2.300
   80    HD2  PHE 419           HD2      PHE  11  -3.481  -1.293  -3.617
   81    HE1  PHE 419           HE1      PHE  11   0.457  -0.777  -0.680
   82    HE2  PHE 419           HE2      PHE  11  -2.910  -3.086  -2.005
   83    HZ   PHE 419           HZ       PHE  11  -0.943  -2.825  -0.516
   84    H    ILE 420           H        ILE  12  -0.135  -1.371  -4.651
   85    HA   ILE 420           HA       ILE  12  -1.707  -2.863  -6.672
   86    HB   ILE 420           HB       ILE  12   1.095  -3.793  -6.506
   87   1HG1  ILE 420          1HG1      ILE  12   1.702  -2.075  -8.402
   88   2HG1  ILE 420          2HG1      ILE  12   0.489  -1.063  -7.623
   89   1HG2  ILE 420          1HG2      ILE  12  -0.681  -4.731  -7.976
   90   2HG2  ILE 420          2HG2      ILE  12  -0.706  -3.207  -8.866
   91   3HG2  ILE 420          3HG2      ILE  12   0.747  -4.207  -8.870
   92   1HD1  ILE 420          1HD1      ILE  12   2.629  -2.390  -5.968
   93   2HD1  ILE 420          2HD1      ILE  12   2.980  -0.891  -6.828
   94   3HD1  ILE 420          3HD1      ILE  12   1.705  -0.932  -5.610
   95    H    CYS 421           H        CYS  13   0.998  -3.391  -4.390
   96    HA   CYS 421           HA       CYS  13  -0.452  -4.795  -2.367
   97   1HB   CYS 421          1HB       CYS  13  -0.568  -6.477  -4.328
   98   2HB   CYS 421          2HB       CYS  13   1.168  -6.680  -4.108
   99    H    THR 422           H        THR  14   0.865  -3.757  -0.881
  100    HA   THR 422           HA       THR  14   2.693  -3.388   0.516
  101    HB   THR 422           HB       THR  14   4.316  -5.393  -1.077
  102    HG1  THR 422           HG1      THR  14   2.984  -6.853  -0.395
  103   1HG2  THR 422          1HG2      THR  14   5.127  -3.777   0.882
  104   2HG2  THR 422          2HG2      THR  14   4.420  -5.044   1.887
  105   3HG2  THR 422          3HG2      THR  14   5.712  -5.435   0.752
  106    H    ASP 423           H        ASP  15   3.703  -1.489   0.326
  107    HA   ASP 423           HA       ASP  15   5.564  -0.954  -1.917
  108   1HB   ASP 423          1HB       ASP  15   3.103   0.682  -1.277
  109   2HB   ASP 423          2HB       ASP  15   4.442   1.321  -2.222
  110    H    ILE 424           H        ILE  16   4.011   0.642   0.904
  111    HA   ILE 424           HA       ILE  16   6.409   2.227   1.460
  112    HB   ILE 424           HB       ILE  16   5.104   3.139   3.373
  113   1HG1  ILE 424          1HG1      ILE  16   2.660   1.676   2.429
  114   2HG1  ILE 424          2HG1      ILE  16   3.761   0.815   3.499
  115   1HG2  ILE 424          1HG2      ILE  16   3.999   3.033   0.577
  116   2HG2  ILE 424          2HG2      ILE  16   3.129   3.932   1.824
  117   3HG2  ILE 424          3HG2      ILE  16   4.788   4.370   1.415
  118   1HD1  ILE 424          1HD1      ILE  16   2.607   3.552   4.093
  119   2HD1  ILE 424          2HD1      ILE  16   1.963   2.038   4.729
  120   3HD1  ILE 424          3HD1      ILE  16   3.586   2.561   5.176
  121    H    ASP 425           H        ASP  17   5.056  -0.764   2.764
  122    HA   ASP 425           HA       ASP  17   7.187  -0.819   4.854
  123   1HB   ASP 425          1HB       ASP  17   4.497  -2.190   4.633
  124   2HB   ASP 425          2HB       ASP  17   5.733  -2.786   5.735
  125    H    GLU 426           H        GLU  18   8.600  -1.247   2.914
  126    HA   GLU 426           HA       GLU  18   8.712  -4.174   2.283
  127   1HB   GLU 426          1HB       GLU  18   9.411  -1.900   0.390
  128   2HB   GLU 426          2HB       GLU  18   9.513  -3.623   0.025
  129   1HG   GLU 426          1HG       GLU  18   6.959  -3.557   0.810
  130   2HG   GLU 426          2HG       GLU  18   7.094  -1.882   0.301
  131    HXT  GLU 426           HXT      GLU  18  11.827  -3.328   3.885
   
  No H/Q in entry =         131
  Start of MODEL    8
    1   1H    CYS 407          1H        CYS  -1  -4.001  -8.737  -4.229
    2   2H    CYS 407          2H        CYS  -1  -5.287  -8.144  -3.361
    3    HA   CYS 407           HA       CYS  -1  -3.212  -7.593  -2.312
    4   1HB   CYS 407          1HB       CYS  -1  -2.694  -6.539  -5.077
    5   2HB   CYS 407          2HB       CYS  -1  -1.944  -5.741  -3.698
    6    H    GLU 408           H        GLU   0  -4.217  -6.367  -0.794
    7    HA   GLU 408           HA       GLU   0  -5.457  -3.751  -1.599
    8   1HB   GLU 408          1HB       GLU   0  -6.317  -5.750   0.488
    9   2HB   GLU 408          2HB       GLU   0  -6.970  -4.118   0.401
   10   1HG   GLU 408          1HG       GLU   0  -8.512  -4.981  -1.026
   11   2HG   GLU 408          2HG       GLU   0  -7.216  -5.008  -2.217
   12    H    ALA 409           H        ALA   1  -5.463  -2.085   0.114
   13    HA   ALA 409           HA       ALA   1  -3.001  -2.208   1.796
   14   1HB   ALA 409          1HB       ALA   1  -4.155  -0.182   0.089
   15   2HB   ALA 409          2HB       ALA   1  -3.972   0.442   1.729
   16   3HB   ALA 409          3HB       ALA   1  -2.576  -0.211   0.872
   17    HA   PRO 410           HA       PRO   2  -5.944  -2.393   5.248
   18   1HB   PRO 410          1HB       PRO   2  -4.034  -2.965   7.144
   19   2HB   PRO 410          2HB       PRO   2  -4.742  -4.176   6.063
   20   1HG   PRO 410          1HG       PRO   2  -2.039  -2.920   5.965
   21   2HG   PRO 410          2HG       PRO   2  -2.560  -4.511   5.387
   22   1HD   PRO 410          1HD       PRO   2  -2.121  -2.237   3.779
   23   2HD   PRO 410          2HD       PRO   2  -2.969  -3.713   3.282
   24    H    GLU 411           H        GLU   3  -5.533  -1.503   7.724
   25    HA   GLU 411           HA       GLU   3  -5.663   1.338   7.629
   26   1HB   GLU 411          1HB       GLU   3  -5.134  -0.561   9.924
   27   2HB   GLU 411          2HB       GLU   3  -5.387   1.171  10.142
   28   1HG   GLU 411          1HG       GLU   3  -7.611   0.702  10.222
   29   2HG   GLU 411          2HG       GLU   3  -7.503   0.404   8.488
   30    H    GLY 412           H        GLY   4  -4.113   2.901   7.601
   31   1HA   GLY 412          1HA       GLY   4  -2.000   3.919   8.225
   32   2HA   GLY 412          2HA       GLY   4  -1.344   2.316   8.548
   33    H    TYR 413           H        TYR   5  -2.429   1.221   5.984
   34    HA   TYR 413           HA       TYR   5  -0.211   1.860   4.224
   35   1HB   TYR 413          1HB       TYR   5  -2.079  -0.249   4.535
   36   2HB   TYR 413          2HB       TYR   5  -2.324   0.403   2.921
   37    HD1  TYR 413           HD1      TYR   5   0.109  -1.116   5.216
   38    HD2  TYR 413           HD2      TYR   5  -0.620   0.227   1.221
   39    HE1  TYR 413           HE1      TYR   5   2.123  -2.333   4.441
   40    HE2  TYR 413           HE2      TYR   5   1.364  -0.978   0.434
   41    HH   TYR 413           HH       TYR   5   3.007  -3.292   2.310
   42    H    ILE 414           H        ILE   6  -0.244   3.236   2.459
   43    HA   ILE 414           HA       ILE   6  -2.668   4.027   1.078
   44    HB   ILE 414           HB       ILE   6  -3.148   5.494   2.882
   45   1HG1  ILE 414          1HG1      ILE   6  -2.821   7.777   2.013
   46   2HG1  ILE 414          2HG1      ILE   6  -1.577   7.200   0.910
   47   1HG2  ILE 414          1HG2      ILE   6  -0.207   6.228   2.880
   48   2HG2  ILE 414          2HG2      ILE   6  -1.431   7.074   3.825
   49   3HG2  ILE 414          3HG2      ILE   6  -1.094   5.373   4.142
   50   1HD1  ILE 414          1HD1      ILE   6  -4.000   5.641   0.582
   51   2HD1  ILE 414          2HD1      ILE   6  -4.349   7.362   0.416
   52   3HD1  ILE 414          3HD1      ILE   6  -3.129   6.609  -0.610
   53    H    LEU 415           H        LEU   7  -1.943   3.974  -0.976
   54    HA   LEU 415           HA       LEU   7   0.691   5.248  -1.617
   55   1HB   LEU 415          1HB       LEU   7  -0.440   2.723  -2.430
   56   2HB   LEU 415          2HB       LEU   7  -0.192   3.738  -3.833
   57    HG   LEU 415           HG       LEU   7   1.802   2.367  -3.381
   58   1HD1  LEU 415          1HD1      LEU   7   1.956   4.758  -4.281
   59   2HD1  LEU 415          2HD1      LEU   7   2.446   5.233  -2.654
   60   3HD1  LEU 415          3HD1      LEU   7   3.429   4.094  -3.573
   61   1HD2  LEU 415          1HD2      LEU   7   1.508   2.154  -0.932
   62   2HD2  LEU 415          2HD2      LEU   7   3.123   2.727  -1.339
   63   3HD2  LEU 415          3HD2      LEU   7   1.918   3.857  -0.733
   64    H    ASP 416           H        ASP   8   0.610   7.085  -2.663
   65    HA   ASP 416           HA       ASP   8  -1.797   8.367  -3.564
   66   1HB   ASP 416          1HB       ASP   8  -0.278  10.135  -4.418
   67   2HB   ASP 416          2HB       ASP   8   0.124   9.654  -2.772
   68    H    ASP 417           H        ASP   9   0.449   6.254  -5.262
   69    HA   ASP 417           HA       ASP   9  -0.158   7.081  -7.959
   70   1HB   ASP 417          1HB       ASP   9   1.190   5.287  -8.613
   71   2HB   ASP 417          2HB       ASP   9   1.802   5.609  -7.004
   72    H    GLY 418           H        GLY  10  -2.044   5.287  -5.657
   73   1HA   GLY 418          1HA       GLY  10  -4.456   4.953  -6.333
   74   2HA   GLY 418          2HA       GLY  10  -3.839   4.245  -7.823
   75    H    PHE 419           H        PHE  11  -1.650   3.201  -5.585
   76    HA   PHE 419           HA       PHE  11  -1.288   1.374  -4.280
   77   1HB   PHE 419          1HB       PHE  11  -3.611   1.871  -3.295
   78   2HB   PHE 419          2HB       PHE  11  -4.203   0.594  -4.365
   79    HD1  PHE 419           HD1      PHE  11  -1.390   1.267  -2.019
   80    HD2  PHE 419           HD2      PHE  11  -4.136  -1.629  -3.574
   81    HE1  PHE 419           HE1      PHE  11  -0.445  -0.419  -0.520
   82    HE2  PHE 419           HE2      PHE  11  -3.192  -3.353  -2.051
   83    HZ   PHE 419           HZ       PHE  11  -1.337  -2.741  -0.516
   84    H    ILE 420           H        ILE  12  -0.791  -0.747  -4.531
   85    HA   ILE 420           HA       ILE  12  -1.775  -2.235  -6.899
   86    HB   ILE 420           HB       ILE  12   1.161  -2.449  -6.438
   87   1HG1  ILE 420          1HG1      ILE  12   1.408  -0.485  -8.179
   88   2HG1  ILE 420          2HG1      ILE  12  -0.116   0.072  -7.492
   89   1HG2  ILE 420          1HG2      ILE  12  -0.156  -3.724  -8.148
   90   2HG2  ILE 420          2HG2      ILE  12  -0.469  -2.198  -8.976
   91   3HG2  ILE 420          3HG2      ILE  12   1.183  -2.796  -8.827
   92   1HD1  ILE 420          1HD1      ILE  12   1.396  -0.607  -5.256
   93   2HD1  ILE 420          2HD1      ILE  12   2.572   0.138  -6.340
   94   3HD1  ILE 420          3HD1      ILE  12   1.128   1.029  -5.859
   95    H    CYS 421           H        CYS  13   0.607  -2.425  -4.211
   96    HA   CYS 421           HA       CYS  13  -0.712  -4.602  -2.840
   97   1HB   CYS 421          1HB       CYS  13   0.252  -5.644  -5.002
   98   2HB   CYS 421          2HB       CYS  13   1.827  -5.438  -4.238
   99    H    THR 422           H        THR  14   2.323  -5.542  -2.210
  100    HA   THR 422           HA       THR  14   2.599  -3.888   0.156
  101    HB   THR 422           HB       THR  14   4.623  -5.827  -1.038
  102    HG1  THR 422           HG1      THR  14   3.655  -7.349   0.206
  103   1HG2  THR 422          1HG2      THR  14   5.289  -4.054   0.751
  104   2HG2  THR 422          2HG2      THR  14   4.358  -5.059   1.861
  105   3HG2  THR 422          3HG2      THR  14   5.750  -5.735   1.016
  106    H    ASP 423           H        ASP  15   3.140  -1.787  -0.126
  107    HA   ASP 423           HA       ASP  15   5.382  -1.104  -1.977
  108   1HB   ASP 423          1HB       ASP  15   3.124   0.794  -1.345
  109   2HB   ASP 423          2HB       ASP  15   4.246   0.855  -2.695
  110    H    ILE 424           H        ILE  16   3.902  -0.376   1.191
  111    HA   ILE 424           HA       ILE  16   6.223   1.415   1.804
  112    HB   ILE 424           HB       ILE  16   4.811   2.455   3.551
  113   1HG1  ILE 424          1HG1      ILE  16   2.331   1.207   2.456
  114   2HG1  ILE 424          2HG1      ILE  16   3.304   0.202   3.529
  115   1HG2  ILE 424          1HG2      ILE  16   4.869   3.396   1.271
  116   2HG2  ILE 424          2HG2      ILE  16   3.509   2.371   0.816
  117   3HG2  ILE 424          3HG2      ILE  16   3.290   3.640   2.020
  118   1HD1  ILE 424          1HD1      ILE  16   3.300   2.096   5.188
  119   2HD1  ILE 424          2HD1      ILE  16   2.151   2.934   4.144
  120   3HD1  ILE 424          3HD1      ILE  16   1.709   1.398   4.889
  121    H    ASP 425           H        ASP  17   4.923  -1.674   2.646
  122    HA   ASP 425           HA       ASP  17   6.534  -1.695   5.160
  123   1HB   ASP 425          1HB       ASP  17   3.887  -2.930   4.483
  124   2HB   ASP 425          2HB       ASP  17   4.916  -3.723   5.670
  125    H    GLU 426           H        GLU  18   8.336  -2.171   3.679
  126    HA   GLU 426           HA       GLU  18   8.530  -5.082   3.008
  127   1HB   GLU 426          1HB       GLU  18   9.592  -2.671   1.519
  128   2HB   GLU 426          2HB       GLU  18  10.253  -4.287   1.266
  129   1HG   GLU 426          1HG       GLU  18   8.580  -4.615  -0.216
  130   2HG   GLU 426          2HG       GLU  18   7.495  -4.682   1.167
  131    HXT  GLU 426           HXT      GLU  18  11.009  -4.480   5.555
   
  No H/Q in entry =         131
  Start of MODEL    9
    1   1H    CYS 407          1H        CYS  -1  -4.446  -7.928  -4.816
    2   2H    CYS 407          2H        CYS  -1  -5.711  -7.791  -3.749
    3    HA   CYS 407           HA       CYS  -1  -3.664  -8.241  -2.607
    4   1HB   CYS 407          1HB       CYS  -1  -2.786  -6.105  -4.417
    5   2HB   CYS 407          2HB       CYS  -1  -2.259  -5.865  -2.752
    6    H    GLU 408           H        GLU   0  -4.906  -4.907  -3.041
    7    HA   GLU 408           HA       GLU   0  -5.967  -3.413  -1.628
    8   1HB   GLU 408          1HB       GLU   0  -6.535  -6.004  -0.218
    9   2HB   GLU 408          2HB       GLU   0  -7.047  -4.473   0.470
   10   1HG   GLU 408          1HG       GLU   0  -8.897  -5.286  -0.838
   11   2HG   GLU 408          2HG       GLU   0  -8.180  -3.958  -1.744
   12    H    ALA 409           H        ALA   1  -5.670  -2.142   0.283
   13    HA   ALA 409           HA       ALA   1  -3.096  -2.671   1.715
   14   1HB   ALA 409          1HB       ALA   1  -3.919  -0.439   0.190
   15   2HB   ALA 409          2HB       ALA   1  -3.943   0.088   1.874
   16   3HB   ALA 409          3HB       ALA   1  -2.466  -0.582   1.178
   17    HA   PRO 410           HA       PRO   2  -5.612  -2.821   5.432
   18   1HB   PRO 410          1HB       PRO   2  -3.520  -2.966   7.214
   19   2HB   PRO 410          2HB       PRO   2  -4.094  -4.340   6.254
   20   1HG   PRO 410          1HG       PRO   2  -1.642  -2.679   5.879
   21   2HG   PRO 410          2HG       PRO   2  -1.927  -4.374   5.450
   22   1HD   PRO 410          1HD       PRO   2  -1.967  -2.208   3.654
   23   2HD   PRO 410          2HD       PRO   2  -2.626  -3.825   3.339
   24    H    GLU 411           H        GLU   3  -5.383  -1.699   7.762
   25    HA   GLU 411           HA       GLU   3  -5.781   1.113   7.463
   26   1HB   GLU 411          1HB       GLU   3  -5.205  -0.562   9.921
   27   2HB   GLU 411          2HB       GLU   3  -5.637   1.146   9.985
   28   1HG   GLU 411          1HG       GLU   3  -7.801   0.448  10.019
   29   2HG   GLU 411          2HG       GLU   3  -7.584   0.075   8.310
   30    H    GLY 412           H        GLY   4  -4.384   2.820   7.455
   31   1HA   GLY 412          1HA       GLY   4  -2.407   4.051   8.120
   32   2HA   GLY 412          2HA       GLY   4  -1.626   2.532   8.550
   33    H    TYR 413           H        TYR   5  -2.514   1.270   5.948
   34    HA   TYR 413           HA       TYR   5  -0.225   1.961   4.318
   35   1HB   TYR 413          1HB       TYR   5  -1.997  -0.207   4.525
   36   2HB   TYR 413          2HB       TYR   5  -2.287   0.462   2.926
   37    HD1  TYR 413           HD1      TYR   5   0.242  -0.971   5.177
   38    HD2  TYR 413           HD2      TYR   5  -0.596   0.376   1.194
   39    HE1  TYR 413           HE1      TYR   5   2.313  -2.055   4.374
   40    HE2  TYR 413           HE2      TYR   5   1.463  -0.703   0.381
   41    HH   TYR 413           HH       TYR   5   3.201  -2.968   2.178
   42    H    ILE 414           H        ILE   6  -0.148   3.251   2.507
   43    HA   ILE 414           HA       ILE   6  -2.522   4.092   1.044
   44    HB   ILE 414           HB       ILE   6  -2.899   5.662   2.790
   45   1HG1  ILE 414          1HG1      ILE   6  -2.443   7.877   1.802
   46   2HG1  ILE 414          2HG1      ILE   6  -1.256   7.165   0.716
   47   1HG2  ILE 414          1HG2      ILE   6   0.071   6.276   2.719
   48   2HG2  ILE 414          2HG2      ILE   6  -1.111   7.157   3.683
   49   3HG2  ILE 414          3HG2      ILE   6  -0.804   5.453   4.009
   50   1HD1  ILE 414          1HD1      ILE   6  -3.863   5.822   0.583
   51   2HD1  ILE 414          2HD1      ILE   6  -3.945   7.530   0.152
   52   3HD1  ILE 414          3HD1      ILE   6  -2.854   6.454  -0.720
   53    H    LEU 415           H        LEU   7  -1.787   3.866  -0.991
   54    HA   LEU 415           HA       LEU   7   0.960   4.836  -1.677
   55   1HB   LEU 415          1HB       LEU   7  -0.773   2.666  -2.763
   56   2HB   LEU 415          2HB       LEU   7   0.205   3.552  -3.923
   57    HG   LEU 415           HG       LEU   7   1.394   1.561  -3.115
   58   1HD1  LEU 415          1HD1      LEU   7   2.463   4.012  -3.433
   59   2HD1  LEU 415          2HD1      LEU   7   2.892   3.738  -1.743
   60   3HD1  LEU 415          3HD1      LEU   7   3.427   2.606  -2.985
   61   1HD2  LEU 415          1HD2      LEU   7   0.204   2.105  -0.679
   62   2HD2  LEU 415          2HD2      LEU   7   1.504   0.948  -0.938
   63   3HD2  LEU 415          3HD2      LEU   7   1.879   2.582  -0.397
   64    H    ASP 416           H        ASP   8   1.009   6.795  -2.545
   65    HA   ASP 416           HA       ASP   8  -1.261   8.305  -3.440
   66   1HB   ASP 416          1HB       ASP   8   0.421   9.967  -4.219
   67   2HB   ASP 416          2HB       ASP   8   0.739   9.409  -2.580
   68    H    ASP 417           H        ASP   9   0.886   6.141  -5.189
   69    HA   ASP 417           HA       ASP   9   0.340   7.081  -7.872
   70   1HB   ASP 417          1HB       ASP   9   1.178   4.277  -7.058
   71   2HB   ASP 417          2HB       ASP   9   1.450   5.063  -8.609
   72    H    GLY 418           H        GLY  10  -1.719   5.402  -5.673
   73   1HA   GLY 418          1HA       GLY  10  -4.086   5.105  -6.464
   74   2HA   GLY 418          2HA       GLY  10  -3.420   4.369  -7.917
   75    H    PHE 419           H        PHE  11  -1.420   3.251  -5.527
   76    HA   PHE 419           HA       PHE  11  -1.187   1.378  -4.260
   77   1HB   PHE 419          1HB       PHE  11  -3.447   2.045  -3.272
   78   2HB   PHE 419          2HB       PHE  11  -4.160   0.850  -4.367
   79    HD1  PHE 419           HD1      PHE  11  -1.354   1.235  -1.952
   80    HD2  PHE 419           HD2      PHE  11  -4.234  -1.417  -3.691
   81    HE1  PHE 419           HE1      PHE  11  -0.539  -0.574  -0.516
   82    HE2  PHE 419           HE2      PHE  11  -3.414  -3.260  -2.241
   83    HZ   PHE 419           HZ       PHE  11  -1.565  -2.834  -0.643
   84    H    ILE 420           H        ILE  12  -0.834  -0.767  -4.479
   85    HA   ILE 420           HA       ILE  12  -1.914  -2.264  -6.795
   86    HB   ILE 420           HB       ILE  12   1.016  -2.610  -6.401
   87   1HG1  ILE 420          1HG1      ILE  12   1.305  -0.676  -8.191
   88   2HG1  ILE 420          2HG1      ILE  12  -0.136  -0.021  -7.418
   89   1HG2  ILE 420          1HG2      ILE  12  -0.423  -3.821  -8.060
   90   2HG2  ILE 420          2HG2      ILE  12  -0.649  -2.288  -8.907
   91   3HG2  ILE 420          3HG2      ILE  12   0.962  -2.995  -8.779
   92   1HD1  ILE 420          1HD1      ILE  12   2.306  -0.893  -5.850
   93   2HD1  ILE 420          2HD1      ILE  12   2.090   0.757  -6.434
   94   3HD1  ILE 420          3HD1      ILE  12   0.950   0.075  -5.271
   95    H    CYS 421           H        CYS  13   0.571  -2.477  -4.225
   96    HA   CYS 421           HA       CYS  13  -0.784  -4.547  -2.713
   97   1HB   CYS 421          1HB       CYS  13   0.170  -5.692  -4.845
   98   2HB   CYS 421          2HB       CYS  13   1.738  -5.495  -4.068
   99    H    THR 422           H        THR  14   2.320  -5.409  -2.142
  100    HA   THR 422           HA       THR  14   2.581  -3.581   0.108
  101    HB   THR 422           HB       THR  14   3.304  -6.013   0.175
  102    HG1  THR 422           HG1      THR  14   5.185  -5.464   1.426
  103   1HG2  THR 422          1HG2      THR  14   4.501  -6.047  -2.009
  104   2HG2  THR 422          2HG2      THR  14   5.711  -4.954  -1.341
  105   3HG2  THR 422          3HG2      THR  14   5.533  -6.578  -0.681
  106    H    ASP 423           H        ASP  15   3.748  -1.741   0.213
  107    HA   ASP 423           HA       ASP  15   5.761  -1.051  -1.865
  108   1HB   ASP 423          1HB       ASP  15   3.284   0.582  -1.225
  109   2HB   ASP 423          2HB       ASP  15   4.649   1.195  -2.153
  110    H    ILE 424           H        ILE  16   4.006   0.343   0.955
  111    HA   ILE 424           HA       ILE  16   6.409   1.816   1.788
  112    HB   ILE 424           HB       ILE  16   4.985   2.736   3.599
  113   1HG1  ILE 424          1HG1      ILE  16   2.531   1.499   2.422
  114   2HG1  ILE 424          2HG1      ILE  16   3.502   0.473   3.473
  115   1HG2  ILE 424          1HG2      ILE  16   3.992   2.764   0.742
  116   2HG2  ILE 424          2HG2      ILE  16   3.252   3.774   1.988
  117   3HG2  ILE 424          3HG2      ILE  16   4.956   3.979   1.584
  118   1HD1  ILE 424          1HD1      ILE  16   2.457   3.221   4.205
  119   2HD1  ILE 424          2HD1      ILE  16   1.779   1.687   4.755
  120   3HD1  ILE 424          3HD1      ILE  16   3.404   2.158   5.250
  121    H    ASP 425           H        ASP  17   4.693  -1.099   2.864
  122    HA   ASP 425           HA       ASP  17   6.800  -1.486   4.953
  123   1HB   ASP 425          1HB       ASP  17   3.948  -2.535   4.896
  124   2HB   ASP 425          2HB       ASP  17   5.149  -3.004   6.089
  125    H    GLU 426           H        GLU  18   8.025  -2.224   2.978
  126    HA   GLU 426           HA       GLU  18   7.302  -4.958   2.028
  127   1HB   GLU 426          1HB       GLU  18   9.300  -2.933   0.965
  128   2HB   GLU 426          2HB       GLU  18   9.059  -4.541   0.284
  129   1HG   GLU 426          1HG       GLU  18   6.591  -3.920   0.030
  130   2HG   GLU 426          2HG       GLU  18   7.059  -2.267   0.405
  131    HXT  GLU 426           HXT      GLU  18   9.816  -5.778   4.479
   
  No H/Q in entry =         131
  Start of MODEL   10
    1   1H    CYS 407          1H        CYS  -1  -3.889  -8.131  -4.902
    2   2H    CYS 407          2H        CYS  -1  -5.369  -7.595  -4.372
    3    HA   CYS 407           HA       CYS  -1  -3.790  -7.679  -2.582
    4   1HB   CYS 407          1HB       CYS  -1  -2.011  -6.810  -4.542
    5   2HB   CYS 407          2HB       CYS  -1  -2.248  -5.388  -3.529
    6    H    GLU 408           H        GLU   0  -4.384  -6.396  -0.862
    7    HA   GLU 408           HA       GLU   0  -5.760  -3.788  -1.440
    8   1HB   GLU 408          1HB       GLU   0  -6.444  -5.985   0.507
    9   2HB   GLU 408          2HB       GLU   0  -7.137  -4.371   0.630
   10   1HG   GLU 408          1HG       GLU   0  -8.757  -5.219  -0.742
   11   2HG   GLU 408          2HG       GLU   0  -7.583  -4.910  -2.016
   12    H    ALA 409           H        ALA   1  -5.517  -2.115   0.135
   13    HA   ALA 409           HA       ALA   1  -3.072  -2.357   1.817
   14   1HB   ALA 409          1HB       ALA   1  -4.125  -0.298   0.135
   15   2HB   ALA 409          2HB       ALA   1  -4.072   0.321   1.785
   16   3HB   ALA 409          3HB       ALA   1  -2.606  -0.310   1.032
   17    HA   PRO 410           HA       PRO   2  -5.865  -2.532   5.371
   18   1HB   PRO 410          1HB       PRO   2  -3.877  -2.946   7.228
   19   2HB   PRO 410          2HB       PRO   2  -4.547  -4.224   6.201
   20   1HG   PRO 410          1HG       PRO   2  -1.922  -2.818   5.983
   21   2HG   PRO 410          2HG       PRO   2  -2.363  -4.458   5.480
   22   1HD   PRO 410          1HD       PRO   2  -2.101  -2.241   3.768
   23   2HD   PRO 410          2HD       PRO   2  -2.902  -3.772   3.364
   24    H    GLU 411           H        GLU   3  -5.518  -1.530   7.782
   25    HA   GLU 411           HA       GLU   3  -5.721   1.304   7.583
   26   1HB   GLU 411          1HB       GLU   3  -5.204  -0.495   9.961
   27   2HB   GLU 411          2HB       GLU   3  -5.502   1.238  10.104
   28   1HG   GLU 411          1HG       GLU   3  -7.714   0.712  10.159
   29   2HG   GLU 411          2HG       GLU   3  -7.562   0.369   8.436
   30    H    GLY 412           H        GLY   4  -4.214   2.907   7.556
   31   1HA   GLY 412          1HA       GLY   4  -2.144   3.995   8.197
   32   2HA   GLY 412          2HA       GLY   4  -1.454   2.420   8.579
   33    H    TYR 413           H        TYR   5  -2.465   1.249   5.997
   34    HA   TYR 413           HA       TYR   5  -0.196   1.852   4.307
   35   1HB   TYR 413          1HB       TYR   5  -2.044  -0.245   4.564
   36   2HB   TYR 413          2HB       TYR   5  -2.341   0.431   2.967
   37    HD1  TYR 413           HD1      TYR   5   0.148  -1.132   5.164
   38    HD2  TYR 413           HD2      TYR   5  -0.655   0.332   1.221
   39    HE1  TYR 413           HE1      TYR   5   2.164  -2.292   4.324
   40    HE2  TYR 413           HE2      TYR   5   1.341  -0.822   0.368
   41    HH   TYR 413           HH       TYR   5   2.976  -3.202   2.077
   42    H    ILE 414           H        ILE   6  -0.127   3.135   2.479
   43    HA   ILE 414           HA       ILE   6  -2.531   4.085   1.127
   44    HB   ILE 414           HB       ILE   6  -2.728   5.684   2.871
   45   1HG1  ILE 414          1HG1      ILE   6  -2.209   7.863   1.852
   46   2HG1  ILE 414          2HG1      ILE   6  -1.099   7.096   0.723
   47   1HG2  ILE 414          1HG2      ILE   6   0.269   6.095   2.655
   48   2HG2  ILE 414          2HG2      ILE   6  -0.801   7.086   3.645
   49   3HG2  ILE 414          3HG2      ILE   6  -0.609   5.371   4.003
   50   1HD1  ILE 414          1HD1      ILE   6  -3.763   5.872   0.680
   51   2HD1  ILE 414          2HD1      ILE   6  -3.792   7.586   0.267
   52   3HD1  ILE 414          3HD1      ILE   6  -2.781   6.476  -0.656
   53    H    LEU 415           H        LEU   7  -1.921   3.785  -0.937
   54    HA   LEU 415           HA       LEU   7   0.814   4.637  -1.806
   55   1HB   LEU 415          1HB       LEU   7  -1.039   2.488  -2.699
   56   2HB   LEU 415          2HB       LEU   7  -0.134   3.309  -3.962
   57    HG   LEU 415           HG       LEU   7   1.070   1.319  -3.170
   58   1HD1  LEU 415          1HD1      LEU   7   2.152   3.763  -3.628
   59   2HD1  LEU 415          2HD1      LEU   7   2.745   3.466  -1.992
   60   3HD1  LEU 415          3HD1      LEU   7   3.111   2.325  -3.286
   61   1HD2  LEU 415          1HD2      LEU   7   0.072   1.948  -0.686
   62   2HD2  LEU 415          2HD2      LEU   7   1.370   0.796  -0.984
   63   3HD2  LEU 415          3HD2      LEU   7   1.754   2.456  -0.534
   64    H    ASP 416           H        ASP   8   0.892   6.548  -2.783
   65    HA   ASP 416           HA       ASP   8  -1.359   8.140  -3.553
   66   1HB   ASP 416          1HB       ASP   8   0.323   9.675  -4.541
   67   2HB   ASP 416          2HB       ASP   8   0.780   9.144  -2.926
   68    H    ASP 417           H        ASP   9   0.482   5.782  -5.403
   69    HA   ASP 417           HA       ASP   9  -0.350   6.680  -8.047
   70   1HB   ASP 417          1HB       ASP   9   0.650   3.916  -7.287
   71   2HB   ASP 417          2HB       ASP   9   0.739   4.690  -8.864
   72    H    GLY 418           H        GLY  10  -2.291   5.365  -5.644
   73   1HA   GLY 418          1HA       GLY  10  -4.629   4.826  -6.063
   74   2HA   GLY 418          2HA       GLY  10  -4.170   4.167  -7.630
   75    H    PHE 419           H        PHE  11  -1.937   3.184  -5.251
   76    HA   PHE 419           HA       PHE  11  -1.501   1.279  -4.087
   77   1HB   PHE 419          1HB       PHE  11  -3.836   1.684  -3.105
   78   2HB   PHE 419          2HB       PHE  11  -4.394   0.434  -4.226
   79    HD1  PHE 419           HD1      PHE  11  -1.568   1.055  -1.865
   80    HD2  PHE 419           HD2      PHE  11  -4.323  -1.802  -3.474
   81    HE1  PHE 419           HE1      PHE  11  -0.590  -0.669  -0.443
   82    HE2  PHE 419           HE2      PHE  11  -3.345  -3.561  -2.015
   83    HZ   PHE 419           HZ       PHE  11  -1.470  -2.992  -0.496
   84    H    ILE 420           H        ILE  12  -0.975  -0.847  -4.371
   85    HA   ILE 420           HA       ILE  12  -1.874  -2.296  -6.793
   86    HB   ILE 420           HB       ILE  12   1.067  -2.406  -6.288
   87   1HG1  ILE 420          1HG1      ILE  12   1.212  -0.450  -8.076
   88   2HG1  ILE 420          2HG1      ILE  12  -0.309   0.054  -7.341
   89   1HG2  ILE 420          1HG2      ILE  12  -0.181  -3.767  -7.978
   90   2HG2  ILE 420          2HG2      ILE  12  -0.543  -2.271  -8.846
   91   3HG2  ILE 420          3HG2      ILE  12   1.130  -2.800  -8.664
   92   1HD1  ILE 420          1HD1      ILE  12   1.974  -0.683  -5.543
   93   2HD1  ILE 420          2HD1      ILE  12   2.012   0.887  -6.347
   94   3HD1  ILE 420          3HD1      ILE  12   0.675   0.478  -5.270
   95    H    CYS 421           H        CYS  13   0.497  -2.454  -4.102
   96    HA   CYS 421           HA       CYS  13  -0.705  -4.686  -2.748
   97   1HB   CYS 421          1HB       CYS  13   0.162  -5.717  -4.936
   98   2HB   CYS 421          2HB       CYS  13   1.778  -5.431  -4.301
   99    H    THR 422           H        THR  14   2.497  -5.424  -2.416
  100    HA   THR 422           HA       THR  14   2.766  -3.859   0.036
  101    HB   THR 422           HB       THR  14   4.920  -5.580  -1.242
  102    HG1  THR 422           HG1      THR  14   4.010  -7.305  -0.309
  103   1HG2  THR 422          1HG2      THR  14   5.180  -3.922   0.836
  104   2HG2  THR 422          2HG2      THR  14   4.482  -5.292   1.700
  105   3HG2  THR 422          3HG2      THR  14   5.986  -5.490   0.800
  106    H    ASP 423           H        ASP  15   3.659  -1.861   0.144
  107    HA   ASP 423           HA       ASP  15   5.710  -1.017  -1.838
  108   1HB   ASP 423          1HB       ASP  15   3.170   0.534  -1.252
  109   2HB   ASP 423          2HB       ASP  15   4.503   1.117  -2.241
  110    H    ILE 424           H        ILE  16   3.794   0.241   0.954
  111    HA   ILE 424           HA       ILE  16   6.096   1.853   1.829
  112    HB   ILE 424           HB       ILE  16   4.606   2.733   3.582
  113   1HG1  ILE 424          1HG1      ILE  16   2.223   1.325   2.475
  114   2HG1  ILE 424          2HG1      ILE  16   3.271   0.371   3.519
  115   1HG2  ILE 424          1HG2      ILE  16   3.571   2.613   0.742
  116   2HG2  ILE 424          2HG2      ILE  16   2.809   3.625   1.972
  117   3HG2  ILE 424          3HG2      ILE  16   4.491   3.903   1.520
  118   1HD1  ILE 424          1HD1      ILE  16   3.157   2.244   5.206
  119   2HD1  ILE 424          2HD1      ILE  16   1.917   2.990   4.195
  120   3HD1  ILE 424          3HD1      ILE  16   1.628   1.412   4.930
  121    H    ASP 425           H        ASP  17   4.595  -1.194   2.822
  122    HA   ASP 425           HA       ASP  17   6.604  -1.401   5.029
  123   1HB   ASP 425          1HB       ASP  17   3.844  -2.632   4.772
  124   2HB   ASP 425          2HB       ASP  17   5.016  -3.169   5.966
  125    H    GLU 426           H        GLU  18   8.043  -1.983   3.184
  126    HA   GLU 426           HA       GLU  18   7.678  -4.767   2.157
  127   1HB   GLU 426          1HB       GLU  18   9.605  -2.617   1.210
  128   2HB   GLU 426          2HB       GLU  18   9.334  -4.181   0.445
  129   1HG   GLU 426          1HG       GLU  18   6.771  -3.029   0.702
  130   2HG   GLU 426          2HG       GLU  18   7.812  -1.719   0.171
  131    HXT  GLU 426           HXT      GLU  18  10.131  -5.304   4.743
   
  No H/Q in entry =         131
  Start of MODEL   11
    1   1H    CYS 407          1H        CYS  -1  -4.772  -8.509  -4.057
    2   2H    CYS 407          2H        CYS  -1  -5.980  -7.518  -3.495
    3    HA   CYS 407           HA       CYS  -1  -4.081  -7.467  -2.046
    4   1HB   CYS 407          1HB       CYS  -1  -2.761  -6.992  -4.669
    5   2HB   CYS 407          2HB       CYS  -1  -2.149  -6.061  -3.305
    6    H    GLU 408           H        GLU   0  -4.983  -5.894  -0.813
    7    HA   GLU 408           HA       GLU   0  -5.271  -3.124  -1.939
    8   1HB   GLU 408          1HB       GLU   0  -6.969  -4.638   0.037
    9   2HB   GLU 408          2HB       GLU   0  -7.108  -2.899  -0.187
   10   1HG   GLU 408          1HG       GLU   0  -8.620  -3.424  -1.808
   11   2HG   GLU 408          2HG       GLU   0  -7.207  -3.802  -2.790
   12    H    ALA 409           H        ALA   1  -5.064  -1.366  -0.337
   13    HA   ALA 409           HA       ALA   1  -2.817  -1.827   1.500
   14   1HB   ALA 409          1HB       ALA   1  -4.142   0.522   0.257
   15   2HB   ALA 409          2HB       ALA   1  -3.420   0.799   1.840
   16   3HB   ALA 409          3HB       ALA   1  -2.428   0.195   0.510
   17    HA   PRO 410           HA       PRO   2  -5.739  -2.452   4.913
   18   1HB   PRO 410          1HB       PRO   2  -3.812  -3.198   6.733
   19   2HB   PRO 410          2HB       PRO   2  -4.491  -4.284   5.511
   20   1HG   PRO 410          1HG       PRO   2  -1.824  -2.940   5.560
   21   2HG   PRO 410          2HG       PRO   2  -2.294  -4.479   4.819
   22   1HD   PRO 410          1HD       PRO   2  -1.927  -2.060   3.445
   23   2HD   PRO 410          2HD       PRO   2  -2.773  -3.482   2.817
   24    H    GLU 411           H        GLU   3  -5.251  -1.912   7.513
   25    HA   GLU 411           HA       GLU   3  -5.569   0.900   7.810
   26   1HB   GLU 411          1HB       GLU   3  -4.829  -1.259   9.796
   27   2HB   GLU 411          2HB       GLU   3  -5.175   0.406  10.270
   28   1HG   GLU 411          1HG       GLU   3  -7.362  -0.204  10.350
   29   2HG   GLU 411          2HG       GLU   3  -7.306  -0.264   8.588
   30    H    GLY 412           H        GLY   4  -4.133   2.560   8.018
   31   1HA   GLY 412          1HA       GLY   4  -2.093   3.705   8.444
   32   2HA   GLY 412          2HA       GLY   4  -1.359   2.175   8.916
   33    H    TYR 413           H        TYR   5  -2.860   1.640   5.945
   34    HA   TYR 413           HA       TYR   5  -0.335   2.086   4.419
   35   1HB   TYR 413          1HB       TYR   5  -1.913  -0.206   4.818
   36   2HB   TYR 413          2HB       TYR   5  -2.279   0.324   3.183
   37    HD1  TYR 413           HD1      TYR   5   0.345  -0.788   5.472
   38    HD2  TYR 413           HD2      TYR   5  -0.590   0.306   1.445
   39    HE1  TYR 413           HE1      TYR   5   2.471  -1.799   4.705
   40    HE2  TYR 413           HE2      TYR   5   1.523  -0.681   0.664
   41    HH   TYR 413           HH       TYR   5   3.409  -2.753   2.568
   42    H    ILE 414           H        ILE   6  -0.462   3.304   2.518
   43    HA   ILE 414           HA       ILE   6  -2.854   3.711   0.984
   44    HB   ILE 414           HB       ILE   6  -3.691   5.134   2.717
   45   1HG1  ILE 414          1HG1      ILE   6  -3.727   7.390   1.703
   46   2HG1  ILE 414          2HG1      ILE   6  -2.373   6.954   0.667
   47   1HG2  ILE 414          1HG2      ILE   6  -1.577   5.427   3.969
   48   2HG2  ILE 414          2HG2      ILE   6  -1.014   6.561   2.744
   49   3HG2  ILE 414          3HG2      ILE   6  -2.412   6.961   3.737
   50   1HD1  ILE 414          1HD1      ILE   6  -4.736   5.142   0.586
   51   2HD1  ILE 414          2HD1      ILE   6  -4.940   6.741  -0.129
   52   3HD1  ILE 414          3HD1      ILE   6  -3.672   5.669  -0.720
   53    H    LEU 415           H        LEU   7  -1.766   3.487  -0.921
   54    HA   LEU 415           HA       LEU   7   0.672   5.147  -1.392
   55   1HB   LEU 415          1HB       LEU   7  -0.397   2.642  -2.646
   56   2HB   LEU 415          2HB       LEU   7   0.646   3.699  -3.587
   57    HG   LEU 415           HG       LEU   7   1.913   1.900  -2.431
   58   1HD1  LEU 415          1HD1      LEU   7   2.851   4.228  -2.908
   59   2HD1  LEU 415          2HD1      LEU   7   2.598   4.570  -1.196
   60   3HD1  LEU 415          3HD1      LEU   7   3.697   3.280  -1.685
   61   1HD2  LEU 415          1HD2      LEU   7   0.366   1.868  -0.399
   62   2HD2  LEU 415          2HD2      LEU   7   2.091   1.794  -0.043
   63   3HD2  LEU 415          3HD2      LEU   7   1.216   3.309   0.158
   64    H    ASP 416           H        ASP   8   0.250   7.067  -2.226
   65    HA   ASP 416           HA       ASP   8  -2.153   7.870  -3.575
   66   1HB   ASP 416          1HB       ASP   8  -0.902   9.960  -4.110
   67   2HB   ASP 416          2HB       ASP   8  -0.757   9.505  -2.416
   68    H    ASP 417           H        ASP   9   0.820   6.447  -4.787
   69    HA   ASP 417           HA       ASP   9   0.720   7.188  -7.535
   70   1HB   ASP 417          1HB       ASP   9   1.682   4.520  -6.447
   71   2HB   ASP 417          2HB       ASP   9   2.192   5.301  -7.938
   72    H    GLY 418           H        GLY  10  -1.197   4.808  -5.747
   73   1HA   GLY 418          1HA       GLY  10  -3.408   4.426  -7.141
   74   2HA   GLY 418          2HA       GLY  10  -2.301   3.664  -8.277
   75    H    PHE 419           H        PHE  11  -0.594   2.585  -6.031
   76    HA   PHE 419           HA       PHE  11  -0.408   0.787  -4.600
   77   1HB   PHE 419          1HB       PHE  11  -2.569   1.746  -3.560
   78   2HB   PHE 419          2HB       PHE  11  -3.410   0.485  -4.467
   79    HD1  PHE 419           HD1      PHE  11  -0.446   0.952  -2.269
   80    HD2  PHE 419           HD2      PHE  11  -3.605  -1.662  -3.503
   81    HE1  PHE 419           HE1      PHE  11   0.285  -0.693  -0.617
   82    HE2  PHE 419           HE2      PHE  11  -2.866  -3.344  -1.837
   83    HZ   PHE 419           HZ       PHE  11  -0.916  -2.857  -0.379
   84    H    ILE 420           H        ILE  12  -0.303  -1.424  -4.681
   85    HA   ILE 420           HA       ILE  12  -1.681  -2.897  -6.854
   86    HB   ILE 420           HB       ILE  12   1.179  -3.611  -6.642
   87   1HG1  ILE 420          1HG1      ILE  12   1.717  -1.727  -8.385
   88   2HG1  ILE 420          2HG1      ILE  12   0.384  -0.871  -7.615
   89   1HG2  ILE 420          1HG2      ILE  12  -0.468  -4.580  -8.240
   90   2HG2  ILE 420          2HG2      ILE  12  -0.585  -3.004  -9.026
   91   3HG2  ILE 420          3HG2      ILE  12   0.943  -3.886  -9.040
   92   1HD1  ILE 420          1HD1      ILE  12   2.438  -2.123  -5.834
   93   2HD1  ILE 420          2HD1      ILE  12   2.892  -0.657  -6.704
   94   3HD1  ILE 420          3HD1      ILE  12   1.513  -0.638  -5.603
   95    H    CYS 421           H        CYS  13   0.936  -3.327  -4.445
   96    HA   CYS 421           HA       CYS  13  -0.449  -4.994  -2.607
   97   1HB   CYS 421          1HB       CYS  13  -0.377  -6.547  -4.684
   98   2HB   CYS 421          2HB       CYS  13   1.355  -6.654  -4.391
   99    H    THR 422           H        THR  14   0.761  -3.864  -1.068
  100    HA   THR 422           HA       THR  14   2.508  -3.444   0.417
  101    HB   THR 422           HB       THR  14   4.265  -5.391  -1.103
  102    HG1  THR 422           HG1      THR  14   2.964  -6.906  -0.488
  103   1HG2  THR 422          1HG2      THR  14   4.904  -3.772   0.935
  104   2HG2  THR 422          2HG2      THR  14   4.215  -5.104   1.863
  105   3HG2  THR 422          3HG2      THR  14   5.576  -5.393   0.780
  106    H    ASP 423           H        ASP  15   3.592  -1.564   0.349
  107    HA   ASP 423           HA       ASP  15   5.485  -0.960  -1.851
  108   1HB   ASP 423          1HB       ASP  15   3.046   0.704  -1.190
  109   2HB   ASP 423          2HB       ASP  15   4.396   1.316  -2.136
  110    H    ILE 424           H        ILE  16   3.912   0.506   1.036
  111    HA   ILE 424           HA       ILE  16   6.338   2.051   1.651
  112    HB   ILE 424           HB       ILE  16   5.021   2.980   3.542
  113   1HG1  ILE 424          1HG1      ILE  16   2.537   1.631   2.555
  114   2HG1  ILE 424          2HG1      ILE  16   3.603   0.687   3.591
  115   1HG2  ILE 424          1HG2      ILE  16   3.882   2.926   0.747
  116   2HG2  ILE 424          2HG2      ILE  16   3.132   3.906   2.011
  117   3HG2  ILE 424          3HG2      ILE  16   4.805   4.203   1.541
  118   1HD1  ILE 424          1HD1      ILE  16   2.549   3.441   4.282
  119   2HD1  ILE 424          2HD1      ILE  16   1.871   1.927   4.881
  120   3HD1  ILE 424          3HD1      ILE  16   3.514   2.392   5.323
  121    H    ASP 425           H        ASP  17   4.870  -0.931   2.840
  122    HA   ASP 425           HA       ASP  17   7.000  -1.126   4.925
  123   1HB   ASP 425          1HB       ASP  17   4.212  -2.302   4.798
  124   2HB   ASP 425          2HB       ASP  17   5.431  -2.928   5.899
  125    H    GLU 426           H        GLU  18   8.357  -1.724   3.021
  126    HA   GLU 426           HA       GLU  18   8.038  -4.598   2.225
  127   1HB   GLU 426          1HB       GLU  18   9.467  -2.420   0.659
  128   2HB   GLU 426          2HB       GLU  18   9.168  -4.074   0.130
  129   1HG   GLU 426          1HG       GLU  18   6.630  -3.239   0.775
  130   2HG   GLU 426          2HG       GLU  18   7.341  -1.753   0.174
  131    HXT  GLU 426           HXT      GLU  18  11.021  -4.544   4.246
   
  No H/Q in entry =         131
  Start of MODEL   12
    1   1H    CYS 407          1H        CYS  -1  -4.371  -7.854  -4.867
    2   2H    CYS 407          2H        CYS  -1  -5.640  -7.766  -3.799
    3    HA   CYS 407           HA       CYS  -1  -3.585  -8.205  -2.667
    4   1HB   CYS 407          1HB       CYS  -1  -2.766  -5.949  -4.384
    5   2HB   CYS 407          2HB       CYS  -1  -2.183  -5.855  -2.721
    6    H    GLU 408           H        GLU   0  -4.919  -4.898  -3.027
    7    HA   GLU 408           HA       GLU   0  -6.017  -3.465  -1.580
    8   1HB   GLU 408          1HB       GLU   0  -6.482  -6.094  -0.202
    9   2HB   GLU 408          2HB       GLU   0  -7.037  -4.591   0.512
   10   1HG   GLU 408          1HG       GLU   0  -8.873  -5.448  -0.788
   11   2HG   GLU 408          2HG       GLU   0  -8.213  -4.084  -1.681
   12    H    ALA 409           H        ALA   1  -5.696  -2.172   0.288
   13    HA   ALA 409           HA       ALA   1  -3.122  -2.674   1.729
   14   1HB   ALA 409          1HB       ALA   1  -3.952  -0.459   0.184
   15   2HB   ALA 409          2HB       ALA   1  -3.986   0.083   1.862
   16   3HB   ALA 409          3HB       ALA   1  -2.501  -0.585   1.180
   17    HA   PRO 410           HA       PRO   2  -5.651  -2.808   5.440
   18   1HB   PRO 410          1HB       PRO   2  -3.561  -2.980   7.222
   19   2HB   PRO 410          2HB       PRO   2  -4.151  -4.346   6.260
   20   1HG   PRO 410          1HG       PRO   2  -1.678  -2.716   5.889
   21   2HG   PRO 410          2HG       PRO   2  -1.984  -4.406   5.455
   22   1HD   PRO 410          1HD       PRO   2  -1.998  -2.233   3.666
   23   2HD   PRO 410          2HD       PRO   2  -2.672  -3.843   3.345
   24    H    GLU 411           H        GLU   3  -5.370  -1.695   7.784
   25    HA   GLU 411           HA       GLU   3  -5.749   1.124   7.481
   26   1HB   GLU 411          1HB       GLU   3  -5.191  -0.562   9.935
   27   2HB   GLU 411          2HB       GLU   3  -5.600   1.153  10.003
   28   1HG   GLU 411          1HG       GLU   3  -7.772   0.477  10.043
   29   2HG   GLU 411          2HG       GLU   3  -7.565   0.117   8.331
   30    H    GLY 412           H        GLY   4  -4.336   2.817   7.483
   31   1HA   GLY 412          1HA       GLY   4  -2.342   4.026   8.130
   32   2HA   GLY 412          2HA       GLY   4  -1.582   2.501   8.575
   33    H    TYR 413           H        TYR   5  -2.571   1.311   5.907
   34    HA   TYR 413           HA       TYR   5  -0.219   1.918   4.322
   35   1HB   TYR 413          1HB       TYR   5  -2.071  -0.187   4.489
   36   2HB   TYR 413          2HB       TYR   5  -2.312   0.504   2.890
   37    HD1  TYR 413           HD1      TYR   5   0.144  -1.014   5.179
   38    HD2  TYR 413           HD2      TYR   5  -0.610   0.350   1.183
   39    HE1  TYR 413           HE1      TYR   5   2.197  -2.155   4.402
   40    HE2  TYR 413           HE2      TYR   5   1.425  -0.786   0.398
   41    HH   TYR 413           HH       TYR   5   3.128  -3.055   2.288
   42    H    ILE 414           H        ILE   6  -0.076   3.205   2.508
   43    HA   ILE 414           HA       ILE   6  -2.424   4.177   1.074
   44    HB   ILE 414           HB       ILE   6  -2.663   5.776   2.811
   45   1HG1  ILE 414          1HG1      ILE   6  -2.077   7.951   1.817
   46   2HG1  ILE 414          2HG1      ILE   6  -0.934   7.170   0.730
   47   1HG2  ILE 414          1HG2      ILE   6   0.346   6.135   2.711
   48   2HG2  ILE 414          2HG2      ILE   6  -0.741   7.154   3.653
   49   3HG2  ILE 414          3HG2      ILE   6  -0.599   5.437   4.027
   50   1HD1  ILE 414          1HD1      ILE   6  -3.598   5.968   0.568
   51   2HD1  ILE 414          2HD1      ILE   6  -3.617   7.690   0.190
   52   3HD1  ILE 414          3HD1      ILE   6  -2.570   6.602  -0.721
   53    H    LEU 415           H        LEU   7  -1.748   3.880  -0.970
   54    HA   LEU 415           HA       LEU   7   1.034   4.677  -1.733
   55   1HB   LEU 415          1HB       LEU   7  -0.839   2.585  -2.713
   56   2HB   LEU 415          2HB       LEU   7   0.116   3.404  -3.941
   57    HG   LEU 415           HG       LEU   7   1.258   1.380  -3.147
   58   1HD1  LEU 415          1HD1      LEU   7   2.390   3.848  -3.489
   59   2HD1  LEU 415          2HD1      LEU   7   2.975   3.423  -1.880
   60   3HD1  LEU 415          3HD1      LEU   7   3.302   2.359  -3.247
   61   1HD2  LEU 415          1HD2      LEU   7   0.205   2.008  -0.678
   62   2HD2  LEU 415          2HD2      LEU   7   1.467   0.816  -0.962
   63   3HD2  LEU 415          3HD2      LEU   7   1.900   2.454  -0.477
   64    H    ASP 416           H        ASP   8   1.200   6.597  -2.677
   65    HA   ASP 416           HA       ASP   8  -0.980   8.260  -3.509
   66   1HB   ASP 416          1HB       ASP   8   0.785   9.762  -4.411
   67   2HB   ASP 416          2HB       ASP   8   1.151   9.205  -2.781
   68    H    ASP 417           H        ASP   9   0.871   5.875  -5.311
   69    HA   ASP 417           HA       ASP   9   0.194   6.823  -7.979
   70   1HB   ASP 417          1HB       ASP   9   1.018   4.003  -7.224
   71   2HB   ASP 417          2HB       ASP   9   1.243   4.812  -8.769
   72    H    GLY 418           H        GLY  10  -1.884   5.519  -5.663
   73   1HA   GLY 418          1HA       GLY  10  -4.235   5.115  -6.213
   74   2HA   GLY 418          2HA       GLY  10  -3.724   4.423  -7.749
   75    H    PHE 419           H        PHE  11  -1.624   3.330  -5.322
   76    HA   PHE 419           HA       PHE  11  -1.315   1.416  -4.143
   77   1HB   PHE 419          1HB       PHE  11  -3.602   1.974  -3.153
   78   2HB   PHE 419          2HB       PHE  11  -4.264   0.782  -4.282
   79    HD1  PHE 419           HD1      PHE  11  -1.467   1.203  -1.859
   80    HD2  PHE 419           HD2      PHE  11  -4.269  -1.498  -3.646
   81    HE1  PHE 419           HE1      PHE  11  -0.584  -0.609  -0.476
   82    HE2  PHE 419           HE2      PHE  11  -3.384  -3.346  -2.243
   83    HZ   PHE 419           HZ       PHE  11  -1.537  -2.899  -0.648
   84    H    ILE 420           H        ILE  12  -0.879  -0.708  -4.408
   85    HA   ILE 420           HA       ILE  12  -1.888  -2.179  -6.770
   86    HB   ILE 420           HB       ILE  12   1.048  -2.436  -6.350
   87   1HG1  ILE 420          1HG1      ILE  12   1.266  -0.471  -8.123
   88   2HG1  ILE 420          2HG1      ILE  12  -0.189   0.124  -7.328
   89   1HG2  ILE 420          1HG2      ILE  12  -0.363  -3.669  -8.034
   90   2HG2  ILE 420          2HG2      ILE  12  -0.584  -2.135  -8.878
   91   3HG2  ILE 420          3HG2      ILE  12   1.031  -2.828  -8.715
   92   1HD1  ILE 420          1HD1      ILE  12   2.256  -0.725  -5.765
   93   2HD1  ILE 420          2HD1      ILE  12   2.056   0.925  -6.356
   94   3HD1  ILE 420          3HD1      ILE  12   0.900   0.253  -5.203
   95    H    CYS 421           H        CYS  13   0.579  -2.393  -4.169
   96    HA   CYS 421           HA       CYS  13  -0.738  -4.555  -2.751
   97   1HB   CYS 421          1HB       CYS  13   0.251  -5.572  -4.937
   98   2HB   CYS 421          2HB       CYS  13   1.806  -5.399  -4.127
   99    H    THR 422           H        THR  14   2.339  -5.430  -2.184
  100    HA   THR 422           HA       THR  14   2.612  -3.724   0.163
  101    HB   THR 422           HB       THR  14   4.727  -5.628  -0.900
  102    HG1  THR 422           HG1      THR  14   3.699  -7.239   0.196
  103   1HG2  THR 422          1HG2      THR  14   5.185  -3.955   0.989
  104   2HG2  THR 422          2HG2      THR  14   4.053  -4.906   1.953
  105   3HG2  THR 422          3HG2      THR  14   5.525  -5.650   1.335
  106    H    ASP 423           H        ASP  15   3.521  -1.744   0.128
  107    HA   ASP 423           HA       ASP  15   5.725  -1.138  -1.776
  108   1HB   ASP 423          1HB       ASP  15   3.233   0.534  -1.363
  109   2HB   ASP 423          2HB       ASP  15   4.641   1.056  -2.284
  110    H    ILE 424           H        ILE  16   3.789   0.507   0.773
  111    HA   ILE 424           HA       ILE  16   6.076   2.039   1.693
  112    HB   ILE 424           HB       ILE  16   4.601   2.872   3.475
  113   1HG1  ILE 424          1HG1      ILE  16   2.257   1.330   2.455
  114   2HG1  ILE 424          2HG1      ILE  16   3.376   0.455   3.494
  115   1HG2  ILE 424          1HG2      ILE  16   3.683   2.727   0.623
  116   2HG2  ILE 424          2HG2      ILE  16   2.624   3.497   1.808
  117   3HG2  ILE 424          3HG2      ILE  16   4.256   4.115   1.550
  118   1HD1  ILE 424          1HD1      ILE  16   3.194   2.347   5.149
  119   2HD1  ILE 424          2HD1      ILE  16   1.909   3.022   4.146
  120   3HD1  ILE 424          3HD1      ILE  16   1.698   1.446   4.911
  121    H    ASP 425           H        ASP  17   4.712  -1.067   2.654
  122    HA   ASP 425           HA       ASP  17   6.683  -1.249   4.896
  123   1HB   ASP 425          1HB       ASP  17   4.049  -2.630   4.339
  124   2HB   ASP 425          2HB       ASP  17   5.221  -3.357   5.432
  125    H    GLU 426           H        GLU  18   8.007  -1.347   2.676
  126    HA   GLU 426           HA       GLU  18   9.456  -2.522   1.314
  127   1HB   GLU 426          1HB       GLU  18   8.863  -4.629   3.414
  128   2HB   GLU 426          2HB       GLU  18  10.002  -4.917   2.102
  129   1HG   GLU 426          1HG       GLU  18  11.477  -4.055   3.655
  130   2HG   GLU 426          2HG       GLU  18  10.957  -2.543   2.918
  131    HXT  GLU 426           HXT      GLU  18   6.769  -3.740  -0.717
   
  No H/Q in entry =         131
  Start of MODEL   13
    1   1H    CYS 407          1H        CYS  -1  -4.833  -8.654  -4.008
    2   2H    CYS 407          2H        CYS  -1  -6.034  -7.696  -3.377
    3    HA   CYS 407           HA       CYS  -1  -4.048  -7.574  -2.052
    4   1HB   CYS 407          1HB       CYS  -1  -2.911  -7.145  -4.753
    5   2HB   CYS 407          2HB       CYS  -1  -2.273  -6.095  -3.492
    6    H    GLU 408           H        GLU   0  -4.833  -5.996  -0.757
    7    HA   GLU 408           HA       GLU   0  -5.250  -3.241  -1.876
    8   1HB   GLU 408          1HB       GLU   0  -6.878  -4.734   0.179
    9   2HB   GLU 408          2HB       GLU   0  -7.076  -3.018  -0.156
   10   1HG   GLU 408          1HG       GLU   0  -8.572  -3.654  -1.741
   11   2HG   GLU 408          2HG       GLU   0  -7.177  -4.154  -2.691
   12    H    ALA 409           H        ALA   1  -5.037  -1.493  -0.263
   13    HA   ALA 409           HA       ALA   1  -2.781  -1.981   1.569
   14   1HB   ALA 409          1HB       ALA   1  -4.005   0.373   0.253
   15   2HB   ALA 409          2HB       ALA   1  -3.339   0.670   1.857
   16   3HB   ALA 409          3HB       ALA   1  -2.309   0.015   0.582
   17    HA   PRO 410           HA       PRO   2  -5.713  -2.489   4.977
   18   1HB   PRO 410          1HB       PRO   2  -3.789  -3.064   6.864
   19   2HB   PRO 410          2HB       PRO   2  -4.431  -4.241   5.707
   20   1HG   PRO 410          1HG       PRO   2  -1.798  -2.813   5.677
   21   2HG   PRO 410          2HG       PRO   2  -2.215  -4.421   5.058
   22   1HD   PRO 410          1HD       PRO   2  -1.903  -2.138   3.483
   23   2HD   PRO 410          2HD       PRO   2  -2.764  -3.603   2.985
   24    H    GLU 411           H        GLU   3  -5.493  -1.750   7.482
   25    HA   GLU 411           HA       GLU   3  -5.806   1.065   7.608
   26   1HB   GLU 411          1HB       GLU   3  -5.199  -0.958   9.775
   27   2HB   GLU 411          2HB       GLU   3  -5.590   0.729  10.110
   28   1HG   GLU 411          1HG       GLU   3  -7.771   0.093  10.081
   29   2HG   GLU 411          2HG       GLU   3  -7.594  -0.060   8.334
   30    H    GLY 412           H        GLY   4  -4.360   2.710   7.631
   31   1HA   GLY 412          1HA       GLY   4  -2.352   3.867   8.353
   32   2HA   GLY 412          2HA       GLY   4  -1.602   2.309   8.700
   33    H    TYR 413           H        TYR   5  -2.342   1.047   6.201
   34    HA   TYR 413           HA       TYR   5  -0.194   1.892   4.463
   35   1HB   TYR 413          1HB       TYR   5  -1.775  -0.404   4.811
   36   2HB   TYR 413          2HB       TYR   5  -2.163   0.180   3.200
   37    HD1  TYR 413           HD1      TYR   5  -0.452   0.305   1.453
   38    HD2  TYR 413           HD2      TYR   5   0.450  -1.088   5.392
   39    HE1  TYR 413           HE1      TYR   5   1.662  -0.644   0.619
   40    HE2  TYR 413           HE2      TYR   5   2.565  -2.064   4.571
   41    HH   TYR 413           HH       TYR   5   3.576  -2.819   2.452
   42    H    ILE 414           H        ILE   6  -0.333   3.190   2.646
   43    HA   ILE 414           HA       ILE   6  -2.728   3.634   1.117
   44    HB   ILE 414           HB       ILE   6  -3.567   5.003   2.882
   45   1HG1  ILE 414          1HG1      ILE   6  -3.606   7.287   1.958
   46   2HG1  ILE 414          2HG1      ILE   6  -2.219   6.918   0.941
   47   1HG2  ILE 414          1HG2      ILE   6  -0.839   6.321   3.003
   48   2HG2  ILE 414          2HG2      ILE   6  -2.252   6.839   3.922
   49   3HG2  ILE 414          3HG2      ILE   6  -1.543   5.253   4.216
   50   1HD1  ILE 414          1HD1      ILE   6  -4.542   5.077   0.694
   51   2HD1  ILE 414          2HD1      ILE   6  -4.774   6.713   0.079
   52   3HD1  ILE 414          3HD1      ILE   6  -3.468   5.713  -0.554
   53    H    LEU 415           H        LEU   7  -1.612   3.421  -0.781
   54    HA   LEU 415           HA       LEU   7   0.823   5.081  -1.230
   55   1HB   LEU 415          1HB       LEU   7  -0.348   2.682  -2.597
   56   2HB   LEU 415          2HB       LEU   7   0.685   3.769  -3.515
   57    HG   LEU 415           HG       LEU   7   1.941   1.869  -2.499
   58   1HD1  LEU 415          1HD1      LEU   7   2.923   4.192  -2.925
   59   2HD1  LEU 415          2HD1      LEU   7   2.762   4.466  -1.189
   60   3HD1  LEU 415          3HD1      LEU   7   3.798   3.169  -1.786
   61   1HD2  LEU 415          1HD2      LEU   7   0.491   1.794  -0.400
   62   2HD2  LEU 415          2HD2      LEU   7   2.227   1.669  -0.124
   63   3HD2  LEU 415          3HD2      LEU   7   1.397   3.194   0.173
   64    H    ASP 416           H        ASP   8   0.455   7.056  -1.972
   65    HA   ASP 416           HA       ASP   8  -1.969   8.017  -3.169
   66   1HB   ASP 416          1HB       ASP   8  -0.652  10.076  -3.677
   67   2HB   ASP 416          2HB       ASP   8  -0.454   9.540  -2.012
   68    H    ASP 417           H        ASP   9   0.893   6.556  -4.595
   69    HA   ASP 417           HA       ASP   9   0.656   7.423  -7.303
   70   1HB   ASP 417          1HB       ASP   9   1.636   4.698  -6.389
   71   2HB   ASP 417          2HB       ASP   9   2.076   5.541  -7.868
   72    H    GLY 418           H        GLY  10  -1.199   5.005  -5.506
   73   1HA   GLY 418          1HA       GLY  10  -3.488   4.713  -6.802
   74   2HA   GLY 418          2HA       GLY  10  -2.450   3.952  -8.004
   75    H    PHE 419           H        PHE  11  -0.664   2.787  -5.880
   76    HA   PHE 419           HA       PHE  11  -0.436   0.960  -4.505
   77   1HB   PHE 419          1HB       PHE  11  -2.469   1.933  -3.280
   78   2HB   PHE 419          2HB       PHE  11  -3.436   0.761  -4.185
   79    HD1  PHE 419           HD1      PHE  11  -0.317   0.978  -2.177
   80    HD2  PHE 419           HD2      PHE  11  -3.662  -1.431  -3.327
   81    HE1  PHE 419           HE1      PHE  11   0.452  -0.789  -0.673
   82    HE2  PHE 419           HE2      PHE  11  -2.889  -3.239  -1.813
   83    HZ   PHE 419           HZ       PHE  11  -0.821  -2.916  -0.471
   84    H    ILE 420           H        ILE  12  -0.376  -1.235  -4.627
   85    HA   ILE 420           HA       ILE  12  -1.936  -2.673  -6.692
   86    HB   ILE 420           HB       ILE  12   0.923  -3.430  -6.708
   87   1HG1  ILE 420          1HG1      ILE  12   1.344  -1.557  -8.494
   88   2HG1  ILE 420          2HG1      ILE  12   0.089  -0.681  -7.620
   89   1HG2  ILE 420          1HG2      ILE  12  -0.836  -4.391  -8.173
   90   2HG2  ILE 420          2HG2      ILE  12  -1.036  -2.811  -8.933
   91   3HG2  ILE 420          3HG2      ILE  12   0.491  -3.679  -9.092
   92   1HD1  ILE 420          1HD1      ILE  12   2.229  -1.963  -5.979
   93   2HD1  ILE 420          2HD1      ILE  12   2.686  -0.541  -6.922
   94   3HD1  ILE 420          3HD1      ILE  12   1.390  -0.431  -5.730
   95    H    CYS 421           H        CYS  13   0.853  -3.135  -4.482
   96    HA   CYS 421           HA       CYS  13  -0.414  -4.771  -2.535
   97   1HB   CYS 421          1HB       CYS  13  -0.542  -6.318  -4.622
   98   2HB   CYS 421          2HB       CYS  13   1.201  -6.480  -4.445
   99    H    THR 422           H        THR  14   0.956  -4.003  -0.931
  100    HA   THR 422           HA       THR  14   2.873  -3.689   0.374
  101    HB   THR 422           HB       THR  14   4.170  -5.670  -1.539
  102    HG1  THR 422           HG1      THR  14   2.877  -7.014  -0.593
  103   1HG2  THR 422          1HG2      THR  14   4.929  -4.598   1.179
  104   2HG2  THR 422          2HG2      THR  14   5.558  -6.128   0.567
  105   3HG2  THR 422          3HG2      THR  14   5.895  -4.629  -0.297
  106    H    ASP 423           H        ASP  15   3.573  -1.613   0.144
  107    HA   ASP 423           HA       ASP  15   5.534  -0.994  -2.009
  108   1HB   ASP 423          1HB       ASP  15   3.010   0.573  -1.434
  109   2HB   ASP 423          2HB       ASP  15   4.323   1.175  -2.438
  110    H    ILE 424           H        ILE  16   4.032   0.192   1.051
  111    HA   ILE 424           HA       ILE  16   6.366   2.001   1.459
  112    HB   ILE 424           HB       ILE  16   4.986   3.024   3.287
  113   1HG1  ILE 424          1HG1      ILE  16   2.584   1.593   2.179
  114   2HG1  ILE 424          2HG1      ILE  16   3.548   0.788   3.415
  115   1HG2  ILE 424          1HG2      ILE  16   3.916   2.879   0.463
  116   2HG2  ILE 424          2HG2      ILE  16   3.272   4.000   1.662
  117   3HG2  ILE 424          3HG2      ILE  16   4.961   4.112   1.167
  118   1HD1  ILE 424          1HD1      ILE  16   3.337   2.932   4.786
  119   2HD1  ILE 424          2HD1      ILE  16   2.112   3.441   3.622
  120   3HD1  ILE 424          3HD1      ILE  16   1.859   1.991   4.593
  121    H    ASP 425           H        ASP  17   5.029  -0.943   2.861
  122    HA   ASP 425           HA       ASP  17   6.801  -0.659   5.235
  123   1HB   ASP 425          1HB       ASP  17   4.364  -2.303   4.631
  124   2HB   ASP 425          2HB       ASP  17   5.474  -2.846   5.883
  125    H    GLU 426           H        GLU  18   8.543  -0.961   3.445
  126    HA   GLU 426           HA       GLU  18   9.336  -3.838   3.385
  127   1HB   GLU 426          1HB       GLU  18   9.464  -1.807   1.144
  128   2HB   GLU 426          2HB       GLU  18  10.434  -3.280   1.138
  129   1HG   GLU 426          1HG       GLU  18   8.647  -4.310   0.228
  130   2HG   GLU 426          2HG       GLU  18   7.884  -4.186   1.804
  131    HXT  GLU 426           HXT      GLU  18  11.968  -2.004   5.029
   
  No H/Q in entry =         131
  Start of MODEL   14
    1   1H    CYS 407          1H        CYS  -1  -4.424  -7.519  -4.627
    2   2H    CYS 407          2H        CYS  -1  -5.818  -7.100  -3.826
    3    HA   CYS 407           HA       CYS  -1  -4.162  -7.910  -2.307
    4   1HB   CYS 407          1HB       CYS  -1  -2.338  -6.869  -3.922
    5   2HB   CYS 407          2HB       CYS  -1  -2.531  -5.466  -2.871
    6    H    GLU 408           H        GLU   0  -4.704  -4.440  -3.006
    7    HA   GLU 408           HA       GLU   0  -5.723  -2.728  -1.833
    8   1HB   GLU 408          1HB       GLU   0  -6.822  -5.096  -0.342
    9   2HB   GLU 408          2HB       GLU   0  -7.177  -3.457   0.170
   10   1HG   GLU 408          1HG       GLU   0  -8.970  -4.089  -1.292
   11   2HG   GLU 408          2HG       GLU   0  -7.950  -2.987  -2.212
   12    H    ALA 409           H        ALA   1  -5.161  -1.285  -0.229
   13    HA   ALA 409           HA       ALA   1  -2.844  -2.026   1.444
   14   1HB   ALA 409          1HB       ALA   1  -3.968   0.476   0.342
   15   2HB   ALA 409          2HB       ALA   1  -3.282   0.629   1.957
   16   3HB   ALA 409          3HB       ALA   1  -2.287   0.024   0.630
   17    HA   PRO 410           HA       PRO   2  -5.532  -2.654   4.998
   18   1HB   PRO 410          1HB       PRO   2  -3.497  -3.082   6.808
   19   2HB   PRO 410          2HB       PRO   2  -4.102  -4.306   5.680
   20   1HG   PRO 410          1HG       PRO   2  -1.589  -2.674   5.522
   21   2HG   PRO 410          2HG       PRO   2  -1.896  -4.326   4.956
   22   1HD   PRO 410          1HD       PRO   2  -1.828  -2.094   3.300
   23   2HD   PRO 410          2HD       PRO   2  -2.652  -3.613   2.904
   24    H    GLU 411           H        GLU   3  -5.372  -1.882   7.465
   25    HA   GLU 411           HA       GLU   3  -5.810   0.917   7.591
   26   1HB   GLU 411          1HB       GLU   3  -5.139  -1.075   9.771
   27   2HB   GLU 411          2HB       GLU   3  -5.606   0.595  10.096
   28   1HG   GLU 411          1HG       GLU   3  -7.757  -0.131  10.045
   29   2HG   GLU 411          2HG       GLU   3  -7.555  -0.287   8.301
   30    H    GLY 412           H        GLY   4  -4.441   2.623   7.623
   31   1HA   GLY 412          1HA       GLY   4  -2.494   3.874   8.349
   32   2HA   GLY 412          2HA       GLY   4  -1.678   2.355   8.721
   33    H    TYR 413           H        TYR   5  -2.314   1.026   6.242
   34    HA   TYR 413           HA       TYR   5  -0.203   1.953   4.498
   35   1HB   TYR 413          1HB       TYR   5  -1.632  -0.423   4.915
   36   2HB   TYR 413          2HB       TYR   5  -2.083   0.090   3.296
   37    HD1  TYR 413           HD1      TYR   5   0.653  -0.946   5.474
   38    HD2  TYR 413           HD2      TYR   5  -0.425   0.248   1.512
   39    HE1  TYR 413           HE1      TYR   5   2.798  -1.838   4.628
   40    HE2  TYR 413           HE2      TYR   5   1.710  -0.622   0.652
   41    HH   TYR 413           HH       TYR   5   3.700  -2.691   2.407
   42    H    ILE 414           H        ILE   6  -0.416   3.151   2.611
   43    HA   ILE 414           HA       ILE   6  -2.802   3.408   1.050
   44    HB   ILE 414           HB       ILE   6  -3.780   4.745   2.774
   45   1HG1  ILE 414          1HG1      ILE   6  -3.934   7.023   1.781
   46   2HG1  ILE 414          2HG1      ILE   6  -2.570   6.648   0.733
   47   1HG2  ILE 414          1HG2      ILE   6  -1.740   5.193   4.084
   48   2HG2  ILE 414          2HG2      ILE   6  -1.213   6.358   2.872
   49   3HG2  ILE 414          3HG2      ILE   6  -2.664   6.669   3.821
   50   1HD1  ILE 414          1HD1      ILE   6  -5.058   4.931   0.766
   51   2HD1  ILE 414          2HD1      ILE   6  -4.930   6.359  -0.261
   52   3HD1  ILE 414          3HD1      ILE   6  -3.805   5.020  -0.473
   53    H    LEU 415           H        LEU   7  -1.743   3.364  -0.874
   54    HA   LEU 415           HA       LEU   7   0.593   5.189  -1.280
   55   1HB   LEU 415          1HB       LEU   7  -0.293   2.653  -2.621
   56   2HB   LEU 415          2HB       LEU   7   0.665   3.818  -3.527
   57    HG   LEU 415           HG       LEU   7   2.057   2.063  -2.432
   58   1HD1  LEU 415          1HD1      LEU   7   2.826   4.463  -2.871
   59   2HD1  LEU 415          2HD1      LEU   7   2.593   4.742  -1.145
   60   3HD1  LEU 415          3HD1      LEU   7   3.760   3.540  -1.695
   61   1HD2  LEU 415          1HD2      LEU   7   0.530   1.922  -0.372
   62   2HD2  LEU 415          2HD2      LEU   7   2.264   1.893  -0.063
   63   3HD2  LEU 415          3HD2      LEU   7   1.348   3.375   0.201
   64    H    ASP 416           H        ASP   8   0.008   7.105  -2.039
   65    HA   ASP 416           HA       ASP   8  -2.450   7.750  -3.376
   66   1HB   ASP 416          1HB       ASP   8  -1.385   9.957  -3.827
   67   2HB   ASP 416          2HB       ASP   8  -1.205   9.455  -2.150
   68    H    ASP 417           H        ASP   9   0.630   6.616  -4.620
   69    HA   ASP 417           HA       ASP   9   0.483   7.448  -7.339
   70   1HB   ASP 417          1HB       ASP   9   1.640   4.821  -6.348
   71   2HB   ASP 417          2HB       ASP   9   2.091   5.693  -7.807
   72    H    GLY 418           H        GLY  10  -1.255   4.866  -5.651
   73   1HA   GLY 418          1HA       GLY  10  -3.422   4.411  -7.135
   74   2HA   GLY 418          2HA       GLY  10  -2.228   3.681  -8.204
   75    H    PHE 419           H        PHE  11  -0.555   2.653  -5.973
   76    HA   PHE 419           HA       PHE  11  -0.324   0.857  -4.549
   77   1HB   PHE 419          1HB       PHE  11  -2.394   1.854  -3.408
   78   2HB   PHE 419          2HB       PHE  11  -3.331   0.646  -4.295
   79    HD1  PHE 419           HD1      PHE  11  -0.280   0.963  -2.201
   80    HD2  PHE 419           HD2      PHE  11  -3.560  -1.523  -3.381
   81    HE1  PHE 419           HE1      PHE  11   0.452  -0.742  -0.608
   82    HE2  PHE 419           HE2      PHE  11  -2.817  -3.267  -1.781
   83    HZ   PHE 419           HZ       PHE  11  -0.810  -2.871  -0.376
   84    H    ILE 420           H        ILE  12  -0.261  -1.371  -4.599
   85    HA   ILE 420           HA       ILE  12  -1.757  -2.839  -6.702
   86    HB   ILE 420           HB       ILE  12   1.103  -3.607  -6.523
   87   1HG1  ILE 420          1HG1      ILE  12   1.554  -1.822  -8.417
   88   2HG1  ILE 420          2HG1      ILE  12   0.297  -0.911  -7.581
   89   1HG2  ILE 420          1HG2      ILE  12  -0.590  -4.673  -7.988
   90   2HG2  ILE 420          2HG2      ILE  12  -0.742  -3.154  -8.876
   91   3HG2  ILE 420          3HG2      ILE  12   0.788  -4.034  -8.888
   92   1HD1  ILE 420          1HD1      ILE  12   2.572  -2.150  -6.032
   93   2HD1  ILE 420          2HD1      ILE  12   2.778  -0.587  -6.823
   94   3HD1  ILE 420          3HD1      ILE  12   1.546  -0.790  -5.576
   95    H    CYS 421           H        CYS  13   0.946  -3.348  -4.414
   96    HA   CYS 421           HA       CYS  13  -0.428  -4.964  -2.504
   97   1HB   CYS 421          1HB       CYS  13  -0.494  -6.509  -4.560
   98   2HB   CYS 421          2HB       CYS  13   1.257  -6.613  -4.421
   99    H    THR 422           H        THR  14   0.859  -3.847  -1.018
  100    HA   THR 422           HA       THR  14   2.668  -3.448   0.394
  101    HB   THR 422           HB       THR  14   4.348  -5.407  -1.197
  102    HG1  THR 422           HG1      THR  14   3.005  -6.882  -0.559
  103   1HG2  THR 422          1HG2      THR  14   5.157  -3.804   0.736
  104   2HG2  THR 422          2HG2      THR  14   4.387  -5.007   1.774
  105   3HG2  THR 422          3HG2      THR  14   5.693  -5.484   0.690
  106    H    ASP 423           H        ASP  15   3.732  -1.568   0.261
  107    HA   ASP 423           HA       ASP  15   5.502  -0.964  -2.040
  108   1HB   ASP 423          1HB       ASP  15   3.098   0.664  -1.199
  109   2HB   ASP 423          2HB       ASP  15   4.406   1.351  -2.151
  110    H    ILE 424           H        ILE  16   4.127   0.559   0.909
  111    HA   ILE 424           HA       ILE  16   6.598   2.038   1.427
  112    HB   ILE 424           HB       ILE  16   5.401   2.940   3.402
  113   1HG1  ILE 424          1HG1      ILE  16   2.888   1.522   2.567
  114   2HG1  ILE 424          2HG1      ILE  16   4.031   0.641   3.576
  115   1HG2  ILE 424          1HG2      ILE  16   4.012   2.877   0.716
  116   2HG2  ILE 424          2HG2      ILE  16   3.423   3.887   2.039
  117   3HG2  ILE 424          3HG2      ILE  16   5.042   4.142   1.388
  118   1HD1  ILE 424          1HD1      ILE  16   2.867   3.362   4.231
  119   2HD1  ILE 424          2HD1      ILE  16   2.349   1.832   4.941
  120   3HD1  ILE 424          3HD1      ILE  16   3.976   2.438   5.246
  121    H    ASP 425           H        ASP  17   5.197  -0.954   2.678
  122    HA   ASP 425           HA       ASP  17   7.360  -1.140   4.724
  123   1HB   ASP 425          1HB       ASP  17   4.649  -2.444   4.438
  124   2HB   ASP 425          2HB       ASP  17   5.881  -3.172   5.465
  125    H    GLU 426           H        GLU  18   8.733  -1.448   2.705
  126    HA   GLU 426           HA       GLU  18   8.923  -4.355   2.013
  127   1HB   GLU 426          1HB       GLU  18   9.404  -2.044   0.098
  128   2HB   GLU 426          2HB       GLU  18   9.551  -3.758  -0.285
  129   1HG   GLU 426          1HG       GLU  18   7.064  -3.856   0.603
  130   2HG   GLU 426          2HG       GLU  18   7.072  -2.138   0.231
  131    HXT  GLU 426           HXT      GLU  18  12.088  -3.365   3.424