*HEADER    SIGNALING PROTEIN                       07-JAN-05   1VQX              
*TITLE     ARRESTIN-BOUND NMR STRUCTURES OF THE PHOSPHORYLATED CARBOXY-          
*TITLE    2 TERMINAL DOMAIN OF RHODOPSIN, REFINED                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOPSIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN BOS TAURUS.            
*KEYWDS    HELIX-LOOP                                                            
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    O.G.KISSELEV, M.A.DOWNS, J.H.MCDOWELL, P.A.HARGRAVE                   
*REVDAT   1   18-JAN-05 1VQX    0                                                

Tinker 3.9 .key file:

restrain-distance 	255	241	1.9	3.5	1.0
restrain-distance 	231	216	1.9	3.5	1.0
restrain-distance 	215	199	1.9	3.5	1.0
restrain-distance 	198	188	1.9	3.5	1.0
restrain-distance 	187	174	1.9	3.5	1.0
restrain-distance 	173	159	1.9	3.5	1.0
restrain-distance 	158	145	1.9	3.5	1.0
restrain-distance 	144	123	1.9	3.5	1.0
restrain-distance 	122	112	1.9	3.5	1.0
restrain-distance 	111	96	1.9	3.5	1.0
restrain-distance 	95	82	1.9	3.5	1.0
restrain-distance 	81	68	1.9	3.5	1.0
restrain-distance 	67	57	1.9	3.5	1.0
restrain-distance 	56	47	1.9	3.5	1.0
restrain-distance 	46	32	1.9	3.5	1.0
restrain-distance 	31	20	1.9	3.5	1.0
restrain-distance 	19	8	1.9	3.5	1.0
restrain-distance	122	96	1.9	5.0	1.0
restrain-distance	255	220	1.9	5.0	1.0
restrain-distance	255	221	1.9	5.0	1.0
restrain-distance	198	145	1.9	3.5	1.0
restrain-distance 	231	215	1.9	5.0	1.0
restrain-distance 	215	198	1.9	5.0	1.0
restrain-distance 	198	187	1.9	5.0	1.0
restrain-distance 	187	173	1.9	5.0	1.0
restrain-distance 	173	158	1.9	5.0	1.0
restrain-distance 	158	144	1.9	5.0	1.0
restrain-distance 	144	122	1.9	5.0	1.0
restrain-distance 	122	111	1.9	5.0	1.0
restrain-distance 	111	95	1.9	5.0	1.0
restrain-distance 	95	81	1.9	5.0	1.0
restrain-distance 	81	67	1.9	5.0	1.0
restrain-distance 	67	56	1.9	5.0	1.0
restrain-distance 	56	46	1.9	5.0	1.0
restrain-distance 	46	31	1.9	5.0	1.0
restrain-distance 	31	19	1.9	5.0	1.0
restrain-distance 	215	187	1.9	5.0	1.0
restrain-distance 	187	158	1.9	5.0	1.0
restrain-distance	251	50	1.9	5.0	1.0
restrain-distance	255	197	1.9	2.1	1.0
restrain-distance	215	157	1.9	2.1	1.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1  -0.261   4.424   2.811
    2   2H    ASP   1          2H        ASP   1  -1.169   5.600   2.158
    3   3H    ASP   1          3H        ASP   1  -0.357   4.591   1.186
    4    H    ASP   2           H        ASP   2   1.986   3.814   2.870
    5    H    GLU   3           H        GLU   3   1.802   2.718   0.255
    6    H    ALA   4           H        ALA   4   4.194   3.477  -3.088
    7    H    SEP   5           H        SEP   5   2.013   3.326  -5.783
    8    H    TPO   6           H        TPO   6  -0.337   3.652  -3.920
    9    H    TPO   7           H        TPO   7  -3.151   5.981  -2.213
   10    H    VAL   8           H        VAL   8  -5.132   5.580  -1.022
   11    H    SEP   9           H        SEP   9  -6.434   3.081  -1.222
   12    H    LYS  10           H        LYS  10  -6.018   0.572   2.192
   13   1HZ   LYS  10          1HZ       LYS  10  -1.564   2.045   0.074
   14   2HZ   LYS  10          2HZ       LYS  10  -2.760   1.812   1.161
   15   3HZ   LYS  10          3HZ       LYS  10  -1.998   3.255   1.081
   16    H    TPO  11           H        TPO  11  -3.293  -2.074   1.382
   17    H    GLU  12           H        GLU  12  -3.182  -5.956   3.717
   18    H    TPO  13           H        TPO  13  -1.983  -6.938   1.048
   19    H    SEP  14           H        SEP  14  -1.662  -4.392  -0.121
   20    H    GLN  15           H        GLN  15   0.542  -3.558   1.781
   21   1HE2  GLN  15          1HE2      GLN  15  -0.468  -1.617   3.226
   22   2HE2  GLN  15          2HE2      GLN  15   0.127  -0.015   3.607
   23    H    VAL  16           H        VAL  16   2.491  -5.309   1.056
   24    H    ALA  17           H        ALA  17   3.109  -4.164  -1.608
   25    H    ALA  19           H        ALA  19   6.904  -3.089   0.628
  Start of MODEL    2
    1   1H    ASP   1          1H        ASP   1   3.442   7.125   4.954
    2   2H    ASP   1          2H        ASP   1   1.817   7.201   4.817
    3   3H    ASP   1          3H        ASP   1   2.565   5.750   4.891
    4    H    ASP   2           H        ASP   2   3.007   4.137   2.884
    5    H    GLU   3           H        GLU   3   2.443   3.213   0.876
    6    H    ALA   4           H        ALA   4   3.340   4.571  -2.676
    7    H    SEP   5           H        SEP   5   1.190   4.180  -4.557
    8    H    TPO   6           H        TPO   6  -1.300   3.048  -3.507
    9    H    TPO   7           H        TPO   7  -2.920   5.701  -1.450
   10    H    VAL   8           H        VAL   8  -4.872   5.842  -0.073
   11    H    SEP   9           H        SEP   9  -5.879   3.348   0.036
   12    H    LYS  10           H        LYS  10  -4.981   1.124   3.173
   13   1HZ   LYS  10          1HZ       LYS  10   1.310   4.545   1.260
   14   2HZ   LYS  10          2HZ       LYS  10  -0.131   3.827   0.989
   15   3HZ   LYS  10          3HZ       LYS  10  -0.029   5.087   2.021
   16    H    TPO  11           H        TPO  11  -3.874  -1.922   1.389
   17    H    GLU  12           H        GLU  12  -3.380  -5.984   3.471
   18    H    TPO  13           H        TPO  13  -2.169  -6.802   1.127
   19    H    SEP  14           H        SEP  14  -1.549  -4.335   0.206
   20    H    GLN  15           H        GLN  15   0.576  -3.595   1.732
   21   1HE2  GLN  15          1HE2      GLN  15   0.176  -1.052   2.502
   22   2HE2  GLN  15          2HE2      GLN  15   0.786   0.507   2.953
   23    H    VAL  16           H        VAL  16   2.396  -5.176   0.680
   24    H    ALA  17           H        ALA  17   3.218  -3.980  -1.573
   25    H    ALA  19           H        ALA  19   6.746  -2.806   0.410
  Start of MODEL    3
    1   1H    ASP   1          1H        ASP   1   2.683   7.433   0.652
    2   2H    ASP   1          2H        ASP   1   2.809   7.844   2.228
    3   3H    ASP   1          3H        ASP   1   2.707   9.008   1.085
    4    H    ASP   2           H        ASP   2   3.834   6.426   3.019
    5    H    GLU   3           H        GLU   3   3.095   4.610   1.164
    6    H    ALA   4           H        ALA   4   4.954   2.892  -2.033
    7    H    SEP   5           H        SEP   5   2.912   2.293  -4.008
    8    H    TPO   6           H        TPO   6  -0.148   2.037  -3.363
    9    H    TPO   7           H        TPO   7  -1.649   5.388  -1.145
   10    H    VAL   8           H        VAL   8  -3.392   5.784  -0.127
   11    H    SEP   9           H        SEP   9  -5.410   3.739  -0.526
   12    H    LYS  10           H        LYS  10  -5.671   1.030   2.816
   13   1HZ   LYS  10          1HZ       LYS  10  -0.058  -0.016   1.553
   14   2HZ   LYS  10          2HZ       LYS  10   0.587  -0.116   3.050
   15   3HZ   LYS  10          3HZ       LYS  10  -0.991  -0.466   2.816
   16    H    TPO  11           H        TPO  11  -3.056  -1.800   1.939
   17    H    GLU  12           H        GLU  12  -3.174  -5.856   3.819
   18    H    TPO  13           H        TPO  13  -2.171  -6.789   1.412
   19    H    SEP  14           H        SEP  14  -1.577  -4.356   0.379
   20    H    GLN  15           H        GLN  15   0.554  -3.406   1.767
   21   1HE2  GLN  15          1HE2      GLN  15   2.105  -0.021   2.428
   22   2HE2  GLN  15          2HE2      GLN  15   3.434   0.874   3.084
   23    H    VAL  16           H        VAL  16   2.330  -5.135   0.496
   24    H    ALA  17           H        ALA  17   3.333  -3.919  -1.674
   25    H    ALA  19           H        ALA  19   6.755  -2.965   0.624
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1   4.125   8.537   0.956
    2   2H    ASP   1          2H        ASP   1   2.852   7.520   0.849
    3   3H    ASP   1          3H        ASP   1   2.615   9.088   1.237
    4    H    ASP   2           H        ASP   2   2.806   5.428   2.607
    5    H    GLU   3           H        GLU   3   2.364   3.907   1.477
    6    H    ALA   4           H        ALA   4   3.463   4.461  -2.276
    7    H    SEP   5           H        SEP   5   1.074   4.071  -3.944
    8    H    TPO   6           H        TPO   6  -1.616   3.290  -2.830
    9    H    TPO   7           H        TPO   7  -2.819   6.253  -0.807
   10    H    VAL   8           H        VAL   8  -5.042   6.023   0.432
   11    H    SEP   9           H        SEP   9  -5.597   3.425   0.767
   12    H    LYS  10           H        LYS  10  -5.366   1.041   4.138
   13   1HZ   LYS  10          1HZ       LYS  10   0.202   2.096   1.201
   14   2HZ   LYS  10          2HZ       LYS  10  -0.409   1.078   2.322
   15   3HZ   LYS  10          3HZ       LYS  10  -1.409   1.855   1.291
   16    H    TPO  11           H        TPO  11  -3.207  -1.781   2.416
   17    H    GLU  12           H        GLU  12  -2.943  -5.918   4.227
   18    H    TPO  13           H        TPO  13  -2.237  -6.624   1.603
   19    H    SEP  14           H        SEP  14  -1.606  -4.222   0.261
   20    H    GLN  15           H        GLN  15   0.576  -3.642   1.665
   21   1HE2  GLN  15          1HE2      GLN  15   0.027  -1.209   2.556
   22   2HE2  GLN  15          2HE2      GLN  15   0.583   0.364   3.024
   23    H    VAL  16           H        VAL  16   2.460  -5.197   0.559
   24    H    ALA  17           H        ALA  17   3.334  -3.894  -1.622
   25    H    ALA  19           H        ALA  19   6.797  -2.780   0.557
  Start of MODEL    5
    1   1H    ASP   1          1H        ASP   1   1.247   5.981   2.250
    2   2H    ASP   1          2H        ASP   1   0.504   7.442   2.164
    3   3H    ASP   1          3H        ASP   1   0.451   6.425   0.896
    4    H    ASP   2           H        ASP   2   2.822   5.186   2.437
    5    H    GLU   3           H        GLU   3   2.124   3.543   0.346
    6    H    ALA   4           H        ALA   4   3.450   4.317  -3.250
    7    H    SEP   5           H        SEP   5   1.461   3.699  -5.219
    8    H    TPO   6           H        TPO   6  -1.039   2.529  -4.226
    9    H    TPO   7           H        TPO   7  -3.600   4.999  -2.076
   10    H    VAL   8           H        VAL   8  -5.294   5.233  -1.074
   11    H    SEP   9           H        SEP   9  -6.235   2.662  -1.090
   12    H    LYS  10           H        LYS  10  -5.766   0.813   2.460
   13   1HZ   LYS  10          1HZ       LYS  10   0.208   3.085   0.235
   14   2HZ   LYS  10          2HZ       LYS  10  -0.532   4.192   1.179
   15   3HZ   LYS  10          3HZ       LYS  10   0.833   3.460   1.696
   16    H    TPO  11           H        TPO  11  -3.239  -1.906   1.526
   17    H    GLU  12           H        GLU  12  -3.210  -5.845   3.683
   18    H    TPO  13           H        TPO  13  -2.152  -6.743   1.255
   19    H    SEP  14           H        SEP  14  -1.561  -4.329   0.215
   20    H    GLN  15           H        GLN  15   0.586  -3.631   1.713
   21   1HE2  GLN  15          1HE2      GLN  15  -0.122  -1.291   2.542
   22   2HE2  GLN  15          2HE2      GLN  15   0.392   0.342   2.797
   23    H    VAL  16           H        VAL  16   2.403  -5.191   0.654
   24    H    ALA  17           H        ALA  17   3.235  -3.977  -1.591
   25    H    ALA  19           H        ALA  19   6.745  -2.815   0.545
  Start of MODEL    6
    1   1H    ASP   1          1H        ASP   1   1.394   5.994   4.028
    2   2H    ASP   1          2H        ASP   1   0.696   7.241   4.818
    3   3H    ASP   1          3H        ASP   1   0.389   7.005   3.229
    4    H    ASP   2           H        ASP   2   3.030   5.861   5.108
    5    H    GLU   3           H        GLU   3   3.016   4.275   2.902
    6    H    ALA   4           H        ALA   4   4.271   2.437  -0.979
    7    H    SEP   5           H        SEP   5   1.483   2.341  -2.325
    8    H    TPO   6           H        TPO   6  -2.470   4.773  -2.570
    9    H    TPO   7           H        TPO   7  -2.489   7.063   1.456
   10    H    VAL   8           H        VAL   8  -5.101   6.382   1.844
   11    H    SEP   9           H        SEP   9  -5.538   3.925   0.725
   12    H    LYS  10           H        LYS  10  -5.297   0.979   3.085
   13   1HZ   LYS  10          1HZ       LYS  10   0.913   4.847   2.386
   14   2HZ   LYS  10          2HZ       LYS  10  -0.346   3.910   1.934
   15   3HZ   LYS  10          3HZ       LYS  10  -0.584   5.154   2.964
   16    H    TPO  11           H        TPO  11  -3.195  -1.998   1.672
   17    H    GLU  12           H        GLU  12  -3.259  -6.084   3.509
   18    H    TPO  13           H        TPO  13  -2.105  -6.889   1.066
   19    H    SEP  14           H        SEP  14  -1.498  -4.372   0.235
   20    H    GLN  15           H        GLN  15   0.589  -3.531   1.780
   21   1HE2  GLN  15          1HE2      GLN  15  -0.117  -1.161   2.774
   22   2HE2  GLN  15          2HE2      GLN  15   0.460   0.435   3.116
   23    H    VAL  16           H        VAL  16   2.412  -5.167   0.755
   24    H    ALA  17           H        ALA  17   3.209  -3.964  -1.515
   25    H    ALA  19           H        ALA  19   6.813  -2.902   0.453
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1   4.116   8.139   3.100
    2   2H    ASP   1          2H        ASP   1   2.640   8.680   2.632
    3   3H    ASP   1          3H        ASP   1   2.784   7.770   3.969
    4    H    ASP   2           H        ASP   2   3.072   4.160   2.737
    5    H    GLU   3           H        GLU   3   2.647   2.954   0.892
    6    H    ALA   4           H        ALA   4   4.183   4.155  -2.620
    7    H    SEP   5           H        SEP   5   2.043   4.199  -4.668
    8    H    TPO   6           H        TPO   6  -0.657   3.690  -3.624
    9    H    TPO   7           H        TPO   7  -2.813   6.326  -1.377
   10    H    VAL   8           H        VAL   8  -4.963   5.922  -0.419
   11    H    SEP   9           H        SEP   9  -5.401   3.282  -0.870
   12    H    LYS  10           H        LYS  10  -5.142   1.236   2.164
   13   1HZ   LYS  10          1HZ       LYS  10   1.033   4.651   0.713
   14   2HZ   LYS  10          2HZ       LYS  10  -0.366   3.825   0.547
   15   3HZ   LYS  10          3HZ       LYS  10  -0.299   5.127   1.530
   16    H    TPO  11           H        TPO  11  -3.360  -2.030   1.365
   17    H    GLU  12           H        GLU  12  -3.188  -5.843   3.769
   18    H    TPO  13           H        TPO  13  -2.125  -6.802   1.205
   19    H    SEP  14           H        SEP  14  -1.507  -4.317   0.167
   20    H    GLN  15           H        GLN  15   0.574  -3.529   1.729
   21   1HE2  GLN  15          1HE2      GLN  15   0.015  -1.023   2.782
   22   2HE2  GLN  15          2HE2      GLN  15   0.659   0.484   3.342
   23    H    VAL  16           H        VAL  16   2.411  -5.223   0.781
   24    H    ALA  17           H        ALA  17   3.174  -3.985  -1.544
   25    H    ALA  19           H        ALA  19   6.723  -3.073   0.465
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1   0.303   6.668   2.032
    2   2H    ASP   1          2H        ASP   1  -0.133   8.077   2.734
    3   3H    ASP   1          3H        ASP   1  -0.594   7.753   1.203
    4    H    ASP   2           H        ASP   2   1.928   6.213   2.830
    5    H    GLU   3           H        GLU   3   1.683   4.509   0.657
    6    H    ALA   4           H        ALA   4   2.993   4.026  -3.250
    7    H    SEP   5           H        SEP   5   0.896   2.802  -4.769
    8    H    TPO   6           H        TPO   6  -1.559   2.570  -3.276
    9    H    TPO   7           H        TPO   7  -4.767   4.516  -1.647
   10    H    VAL   8           H        VAL   8  -6.640   3.859  -0.867
   11    H    SEP   9           H        SEP   9  -6.745   1.206  -0.997
   12    H    LYS  10           H        LYS  10  -6.484   0.163   2.144
   13   1HZ   LYS  10          1HZ       LYS  10   0.209   2.788   1.627
   14   2HZ   LYS  10          2HZ       LYS  10  -0.648   1.524   1.050
   15   3HZ   LYS  10          3HZ       LYS  10  -1.280   3.027   0.991
   16    H    TPO  11           H        TPO  11  -3.087  -2.462   2.150
   17    H    GLU  12           H        GLU  12  -2.742  -6.567   3.765
   18    H    TPO  13           H        TPO  13  -1.880  -7.047   1.152
   19    H    SEP  14           H        SEP  14  -1.553  -4.380   0.254
   20    H    GLN  15           H        GLN  15   0.609  -3.567   1.775
   21   1HE2  GLN  15          1HE2      GLN  15   0.410  -0.845   2.319
   22   2HE2  GLN  15          2HE2      GLN  15   1.068   0.702   2.736
   23    H    VAL  16           H        VAL  16   2.472  -5.198   0.771
   24    H    ALA  17           H        ALA  17   3.181  -4.118  -1.537
   25    H    ALA  19           H        ALA  19   6.662  -3.040   0.387
  Start of MODEL    9
    1   1H    ASP   1          1H        ASP   1   1.346   5.712   0.822
    2   2H    ASP   1          2H        ASP   1   0.202   6.099   1.922
    3   3H    ASP   1          3H        ASP   1   0.800   7.248   0.927
    4    H    ASP   2           H        ASP   2   2.221   4.186   1.869
    5    H    GLU   3           H        GLU   3   1.991   3.172   0.278
    6    H    ALA   4           H        ALA   4   3.296   4.134  -3.425
    7    H    SEP   5           H        SEP   5   1.185   3.609  -5.315
    8    H    TPO   6           H        TPO   6  -1.197   2.592  -4.123
    9    H    TPO   7           H        TPO   7  -3.759   5.013  -1.981
   10    H    VAL   8           H        VAL   8  -5.449   5.224  -0.939
   11    H    SEP   9           H        SEP   9  -6.890   2.756  -1.018
   12    H    LYS  10           H        LYS  10  -6.192   0.607   2.518
   13   1HZ   LYS  10          1HZ       LYS  10   1.061   3.499   1.082
   14   2HZ   LYS  10          2HZ       LYS  10  -0.132   2.816   0.200
   15   3HZ   LYS  10          3HZ       LYS  10  -0.430   4.168   1.068
   16    H    TPO  11           H        TPO  11  -3.515  -2.055   1.439
   17    H    GLU  12           H        GLU  12  -3.221  -5.971   3.639
   18    H    TPO  13           H        TPO  13  -2.115  -6.756   1.230
   19    H    SEP  14           H        SEP  14  -1.574  -4.337   0.197
   20    H    GLN  15           H        GLN  15   0.561  -3.667   1.710
   21   1HE2  GLN  15          1HE2      GLN  15  -0.179  -1.346   2.690
   22   2HE2  GLN  15          2HE2      GLN  15   0.318   0.252   3.133
   23    H    VAL  16           H        VAL  16   2.388  -5.172   0.626
   24    H    ALA  17           H        ALA  17   3.235  -3.995  -1.643
   25    H    ALA  19           H        ALA  19   6.694  -2.783   0.452
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1   3.274   8.804  -1.037
    2   2H    ASP   1          2H        ASP   1   1.966   7.830  -1.131
    3   3H    ASP   1          3H        ASP   1   1.833   9.313  -0.461
    4    H    ASP   2           H        ASP   2   3.222   6.068   2.486
    5    H    GLU   3           H        GLU   3   2.266   4.010   0.764
    6    H    ALA   4           H        ALA   4   3.220   4.381  -2.922
    7    H    SEP   5           H        SEP   5   1.106   3.586  -4.685
    8    H    TPO   6           H        TPO   6  -1.365   2.897  -3.433
    9    H    TPO   7           H        TPO   7  -3.104   5.817  -1.966
   10    H    VAL   8           H        VAL   8  -5.281   5.533  -0.758
   11    H    SEP   9           H        SEP   9  -5.523   2.959  -0.062
   12    H    LYS  10           H        LYS  10  -5.032   1.023   3.558
   13   1HZ   LYS  10          1HZ       LYS  10   0.718   3.999   1.346
   14   2HZ   LYS  10          2HZ       LYS  10   0.410   2.557   2.049
   15   3HZ   LYS  10          3HZ       LYS  10  -0.566   3.112   0.863
   16    H    TPO  11           H        TPO  11  -3.063  -1.950   2.050
   17    H    GLU  12           H        GLU  12  -3.034  -6.091   3.853
   18    H    TPO  13           H        TPO  13  -2.121  -6.879   1.287
   19    H    SEP  14           H        SEP  14  -1.576  -4.376   0.330
   20    H    GLN  15           H        GLN  15   0.608  -3.533   1.772
   21   1HE2  GLN  15          1HE2      GLN  15   0.266  -0.873   2.286
   22   2HE2  GLN  15          2HE2      GLN  15   0.932   0.702   2.557
   23    H    VAL  16           H        VAL  16   2.421  -5.166   0.642
   24    H    ALA  17           H        ALA  17   3.282  -3.993  -1.616
   25    H    ALA  19           H        ALA  19   6.759  -2.824   0.502
  Start of MODEL   11
    1   1H    ASP   1          1H        ASP   1   0.480   4.870   2.478
    2   2H    ASP   1          2H        ASP   1  -0.286   6.311   2.518
    3   3H    ASP   1          3H        ASP   1   0.300   5.737   1.105
    4    H    ASP   2           H        ASP   2   2.808   4.190   3.063
    5    H    GLU   3           H        GLU   3   2.115   2.849   0.772
    6    H    ALA   4           H        ALA   4   2.627   4.844  -2.398
    7    H    SEP   5           H        SEP   5   0.654   4.317  -4.358
    8    H    TPO   6           H        TPO   6  -1.611   2.740  -3.424
    9    H    TPO   7           H        TPO   7  -4.364   4.868  -1.397
   10    H    VAL   8           H        VAL   8  -6.219   4.799  -0.470
   11    H    SEP   9           H        SEP   9  -7.722   2.265  -0.605
   12    H    LYS  10           H        LYS  10  -6.348   0.723   2.588
   13   1HZ   LYS  10          1HZ       LYS  10   1.298   1.571   1.607
   14   2HZ   LYS  10          2HZ       LYS  10  -0.221   1.082   1.328
   15   3HZ   LYS  10          3HZ       LYS  10   0.231   2.520   0.766
   16    H    TPO  11           H        TPO  11  -3.943  -2.274   1.201
   17    H    GLU  12           H        GLU  12  -3.131  -5.936   3.748
   18    H    TPO  13           H        TPO  13  -2.073  -6.720   1.275
   19    H    SEP  14           H        SEP  14  -1.565  -4.321   0.170
   20    H    GLN  15           H        GLN  15   0.528  -3.591   1.716
   21   1HE2  GLN  15          1HE2      GLN  15  -0.131  -1.278   2.778
   22   2HE2  GLN  15          2HE2      GLN  15   0.434   0.284   3.268
   23    H    VAL  16           H        VAL  16   2.346  -5.174   0.617
   24    H    ALA  17           H        ALA  17   3.216  -3.972  -1.633
   25    H    ALA  19           H        ALA  19   6.631  -2.895   0.491
  Start of MODEL   12
    1   1H    ASP   1          1H        ASP   1   3.323   6.585   5.273
    2   2H    ASP   1          2H        ASP   1   1.690   6.603   5.291
    3   3H    ASP   1          3H        ASP   1   2.490   5.180   5.291
    4    H    ASP   2           H        ASP   2   2.733   3.593   3.119
    5    H    GLU   3           H        GLU   3   2.209   2.851   0.945
    6    H    ALA   4           H        ALA   4   3.127   4.819  -2.271
    7    H    SEP   5           H        SEP   5   1.298   4.520  -4.384
    8    H    TPO   6           H        TPO   6  -1.070   2.975  -3.748
    9    H    TPO   7           H        TPO   7  -3.350   5.117  -1.643
   10    H    VAL   8           H        VAL   8  -5.109   5.465  -0.633
   11    H    SEP   9           H        SEP   9  -6.286   3.061  -0.780
   12    H    LYS  10           H        LYS  10  -5.782   0.792   2.446
   13   1HZ   LYS  10          1HZ       LYS  10   1.404   3.758   1.770
   14   2HZ   LYS  10          2HZ       LYS  10   0.151   2.851   1.247
   15   3HZ   LYS  10          3HZ       LYS  10  -0.101   4.389   1.733
   16    H    TPO  11           H        TPO  11  -3.980  -2.031   0.972
   17    H    GLU  12           H        GLU  12  -3.376  -5.924   3.292
   18    H    TPO  13           H        TPO  13  -2.111  -6.748   1.019
   19    H    SEP  14           H        SEP  14  -1.494  -4.310   0.078
   20    H    GLN  15           H        GLN  15   0.563  -3.656   1.699
   21   1HE2  GLN  15          1HE2      GLN  15  -0.105  -1.338   2.793
   22   2HE2  GLN  15          2HE2      GLN  15   0.363   0.187   3.468
   23    H    VAL  16           H        VAL  16   2.427  -5.200   0.760
   24    H    ALA  17           H        ALA  17   3.140  -4.018  -1.505
   25    H    ALA  19           H        ALA  19   6.757  -2.775   0.330
  Start of MODEL   13
    1   1H    ASP   1          1H        ASP   1   2.423   5.268   5.455
    2   2H    ASP   1          2H        ASP   1   2.709   6.849   5.247
    3   3H    ASP   1          3H        ASP   1   1.174   6.286   5.225
    4    H    ASP   2           H        ASP   2   2.750   3.386   3.198
    5    H    GLU   3           H        GLU   3   2.189   2.827   0.876
    6    H    ALA   4           H        ALA   4   3.094   4.656  -2.411
    7    H    SEP   5           H        SEP   5   0.835   4.369  -4.433
    8    H    TPO   6           H        TPO   6  -1.546   3.028  -3.128
    9    H    TPO   7           H        TPO   7  -3.919   5.182  -0.849
   10    H    VAL   8           H        VAL   8  -5.956   5.254   0.302
   11    H    SEP   9           H        SEP   9  -7.281   2.609  -0.046
   12    H    LYS  10           H        LYS  10  -5.817   0.938   2.782
   13   1HZ   LYS  10          1HZ       LYS  10   1.074   3.902   1.603
   14   2HZ   LYS  10          2HZ       LYS  10  -0.048   2.841   1.046
   15   3HZ   LYS  10          3HZ       LYS  10  -0.512   4.183   1.804
   16    H    TPO  11           H        TPO  11  -4.338  -2.163   0.938
   17    H    GLU  12           H        GLU  12  -3.313  -5.925   3.563
   18    H    TPO  13           H        TPO  13  -1.982  -7.047   1.005
   19    H    SEP  14           H        SEP  14  -1.470  -4.327   0.150
   20    H    GLN  15           H        GLN  15   0.541  -3.569   1.732
   21   1HE2  GLN  15          1HE2      GLN  15  -0.204  -1.355   2.918
   22   2HE2  GLN  15          2HE2      GLN  15   0.365   0.102   3.686
   23    H    VAL  16           H        VAL  16   2.513  -5.320   1.078
   24    H    ALA  17           H        ALA  17   3.084  -4.140  -1.531
   25    H    ALA  19           H        ALA  19   6.679  -2.855   0.328
  Start of MODEL   14
    1   1H    ASP   1          1H        ASP   1   5.875   8.958   2.744
    2   2H    ASP   1          2H        ASP   1   4.742   9.084   1.574
    3   3H    ASP   1          3H        ASP   1   4.433   9.648   3.075
    4    H    ASP   2           H        ASP   2   4.777   5.229   3.743
    5    H    GLU   3           H        GLU   3   3.352   4.042   1.618
    6    H    ALA   4           H        ALA   4   4.325   4.477  -2.024
    7    H    SEP   5           H        SEP   5   2.359   4.049  -3.971
    8    H    TPO   6           H        TPO   6  -0.547   3.182  -3.349
    9    H    TPO   7           H        TPO   7  -1.762   6.235  -1.495
   10    H    VAL   8           H        VAL   8  -4.020   6.283  -0.240
   11    H    SEP   9           H        SEP   9  -4.974   3.784  -0.196
   12    H    LYS  10           H        LYS  10  -4.791   1.457   3.048
   13   1HZ   LYS  10          1HZ       LYS  10   1.576   4.834   2.105
   14   2HZ   LYS  10          2HZ       LYS  10   0.218   4.032   1.687
   15   3HZ   LYS  10          3HZ       LYS  10   0.142   5.257   2.764
   16    H    TPO  11           H        TPO  11  -3.084  -1.852   1.717
   17    H    GLU  12           H        GLU  12  -3.134  -5.811   3.851
   18    H    TPO  13           H        TPO  13  -2.173  -6.755   1.399
   19    H    SEP  14           H        SEP  14  -1.577  -4.343   0.327
   20    H    GLN  15           H        GLN  15   0.592  -3.525   1.718
   21   1HE2  GLN  15          1HE2      GLN  15   0.696  -0.623   2.281
   22   2HE2  GLN  15          2HE2      GLN  15   1.514   0.837   2.725
   23    H    VAL  16           H        VAL  16   2.368  -5.174   0.573
   24    H    ALA  17           H        ALA  17   3.283  -3.969  -1.666
   25    H    ALA  19           H        ALA  19   7.259  -3.145   1.238
  Start of MODEL   15
    1   1H    ASP   1          1H        ASP   1   1.022   6.583   1.575
    2   2H    ASP   1          2H        ASP   1   0.944   8.079   2.224
    3   3H    ASP   1          3H        ASP   1   0.228   7.774   0.788
    4    H    ASP   2           H        ASP   2   2.773   6.026   2.363
    5    H    GLU   3           H        GLU   3   1.936   3.817   0.705
    6    H    ALA   4           H        ALA   4   2.882   4.537  -2.931
    7    H    SEP   5           H        SEP   5   0.598   3.641  -4.583
    8    H    TPO   6           H        TPO   6  -1.717   3.401  -2.905
    9    H    TPO   7           H        TPO   7  -5.768   4.333  -1.235
   10    H    VAL   8           H        VAL   8  -7.715   5.118   0.596
   11    H    SEP   9           H        SEP   9  -8.234   2.382   0.306
   12    H    LYS  10           H        LYS  10  -6.425   0.221   3.059
   13   1HZ   LYS  10          1HZ       LYS  10   0.048   3.159   0.596
   14   2HZ   LYS  10          2HZ       LYS  10  -1.145   2.052   0.736
   15   3HZ   LYS  10          3HZ       LYS  10  -1.491   3.644   0.844
   16    H    TPO  11           H        TPO  11  -3.864  -2.309   1.353
   17    H    GLU  12           H        GLU  12  -3.043  -6.152   3.654
   18    H    TPO  13           H        TPO  13  -2.004  -6.833   1.197
   19    H    SEP  14           H        SEP  14  -1.580  -4.368   0.160
   20    H    GLN  15           H        GLN  15   0.565  -3.531   1.762
   21   1HE2  GLN  15          1HE2      GLN  15   2.383  -0.641   5.452
   22   2HE2  GLN  15          2HE2      GLN  15   1.902   0.778   4.581
   23    H    VAL  16           H        VAL  16   2.382  -5.184   0.702
   24    H    ALA  17           H        ALA  17   3.189  -4.050  -1.597
   25    H    ALA  19           H        ALA  19   6.615  -3.009   0.421