*HEADER    ANTIFUNGAL PROTEIN                      11-MAY-15   2N2Q              
*TITLE     NMR SOLUTION STRUCTURE OF HSAFP1                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PROTEIN 1;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYSTEINE-RICH ANTIFUNGAL PROTEIN 1, DEFENSIN AFP1, HSAFP1;  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HEUCHERA SANGUINEA;                             
*SOURCE   3 ORGANISM_COMMON: CORALBELLS;                                         
*SOURCE   4 ORGANISM_TAXID: 43368;                                               
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PPICZAA                                    
*KEYWDS    ANTIFUNGAL PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY, D.J.CRAIK, K.VRIENS                                       
*REVDAT   1   22-JUL-15 2N2Q    0                                                


!distance restraints
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.545    1.745    1.745  
assign (resid   3 and name   HN)   (resid   3 and name HG1#)   3.000    1.200    1.200  
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   3.000    1.200    1.200  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.700    0.900    0.900  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.280    0.480    0.480  
assign (resid   3 and name HG1#)   (resid   4 and name   HN)   3.065    1.265    1.265  
assign (resid   3 and name HG2#)   (resid   4 and name   HN)   3.065    1.265    1.265  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   2.585    0.785    0.785  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.690    0.890    0.890  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.260    1.460    1.460  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.270    0.470    0.470  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.050    1.250    1.250  
assign (resid   5 and name   HN)   (resid   5 and name HD1#)   3.025    1.225    1.225  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.840    1.040    1.040  
assign (resid   5 and name   HN)   (resid   5 and name   HG)   3.030    1.230    1.230  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.610    0.810    0.810  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.370    1.570    1.570  
assign (resid   5 and name HD2#)   (resid   6 and name   HN)   3.335    1.535    1.535  
assign (resid   5 and name HD1#)   (resid   6 and name   HN)   3.335    1.535    1.535  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.795    0.995    0.995  
assign (resid   5 and name   HG)   (resid   6 and name   HN)   3.380    1.580    1.580  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.875    1.075    1.075  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.865    1.065    1.065  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.865    1.065    1.065  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.350    0.550    0.550  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.385    1.585    1.585  
assign (resid   6 and name   HN)   (resid  54 and name   HN)   3.575    1.775    1.775  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.360    0.560    0.560  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.375    0.575    0.575  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   3.325    1.525    1.525  
assign (resid   8 and name   HN)   (resid   8 and name HG1#)   2.920    1.120    1.120  
assign (resid   8 and name   HN)   (resid   8 and name HG2#)   2.920    1.120    1.120  
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.905    1.105    1.105  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.950    1.150    1.150  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.755    0.955    0.955  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.265    1.465    1.465  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.500    0.700    0.700  
assign (resid   8 and name   HN)   (resid  51 and name   HA)   3.065    1.265    1.265  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.650    0.850    0.850  
assign (resid  10 and name   HN)   (resid  49 and name   HA)   3.300    1.500    1.500  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.610    1.810    1.810  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.605    0.805    0.805  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.865    1.065    1.065  
assign (resid  12 and name   HN)   (resid  12 and name HG2#)   2.760    0.960    0.960  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.655    0.855    0.855  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.680    0.880    0.880  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.680    0.880    0.880  
assign (resid  12 and name HG2#)   (resid  13 and name   HN)   3.240    1.440    1.440  
assign (resid  13 and name   HA)   (resid  13 and name  HD1)   3.150    1.350    1.350  
assign (resid  13 and name   HN)   (resid  13 and name  HD1)   3.535    1.735    1.735  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.225    1.425    1.425  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.380    0.580    0.580  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   3.110    1.310    1.310  
assign (resid  16 and name   HA)   (resid  16 and name  HD2)   3.305    1.505    1.505  
assign (resid  16 and name   HN)   (resid  16 and name  HD2)   3.575    1.775    1.775  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.690    0.890    0.890  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.720    0.920    0.920  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   3.125    1.325    1.325  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.125    1.325    1.325  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.405    0.605    0.605  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.200    1.400    1.400  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.550    0.750    0.750  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.595    0.795    0.795  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.870    1.070    1.070  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.870    1.070    1.070  
assign (resid  25 and name   HN)   (resid  25 and name  HG2)   3.215    1.415    1.415  
assign (resid  25 and name   HN)   (resid  25 and name  HG1)   3.215    1.415    1.415  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.385    0.585    0.585  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.720    0.920    0.920  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.740    0.940    0.940  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.635    0.835    0.835  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.645    0.845    0.845  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.645    0.845    0.845  
assign (resid  34 and name   HA)   (resid  36 and name   HN)   3.200    1.400    1.400  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.640    0.840    0.840  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   2.830    1.030    1.030  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   2.830    1.030    1.030  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.665    0.865    0.865  
assign (resid  28 and name   HN)   (resid  28 and name  HG2)   3.525    1.725    1.725  
assign (resid  28 and name   HN)   (resid  28 and name  HG1)   3.525    1.725    1.725  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.475    0.675    0.675  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.090    1.290    1.290  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.090    1.290    1.290  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.640    0.840    0.840  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.750    0.950    0.950  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.535    0.735    0.735  
assign (resid  28 and name  HG2)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  28 and name  HG1)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.570    0.770    0.770  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.545    0.745    0.745  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   2.750    0.950    0.950  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.435    0.635    0.635  
assign (resid  32 and name   HA)   (resid  32 and name  HD2)   2.995    1.195    1.195  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.740    0.940    0.940  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.575    1.775    1.775  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.575    1.775    1.775  
assign (resid  33 and name   HA)   (resid  33 and name  HD#)   2.550    0.750    0.750  
assign (resid  33 and name  HE#)   (resid  52 and name   HA)   2.980    1.180    1.180  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.855    1.055    1.055  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.855    1.055    1.055  
assign (resid  33 and name   HA)   (resid  34 and name   HN)   2.360    0.560    0.560  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.365    0.565    0.565  
assign (resid  35 and name   HA)   (resid  35 and name  HD#)   2.615    0.815    0.815  
assign (resid  35 and name   HN)   (resid  35 and name  HB1)   2.800    1.000    1.000  
assign (resid  35 and name   HN)   (resid  35 and name  HB2)   2.800    1.000    1.000  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.715    0.915    0.915  
assign (resid  35 and name   HN)   (resid  35 and name  HD#)   2.735    0.935    0.935  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   2.755    0.955    0.955  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.670    0.870    0.870  
assign (resid  36 and name  HA1)   (resid  37 and name   HN)   2.670    0.870    0.870  
assign (resid  36 and name  HA2)   (resid  37 and name   HN)   2.670    0.870    0.870  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.295    1.495    1.495  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   3.485    1.685    1.685  
assign (resid  37 and name  HA1)   (resid  38 and name   HN)   2.570    0.770    0.770  
assign (resid  37 and name  HA2)   (resid  38 and name   HN)   2.570    0.770    0.770  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.485    0.685    0.685  
assign (resid  38 and name  HB#)   (resid  39 and name   HN)   2.515    0.715    0.715  
assign (resid  39 and name   HN)   (resid  39 and name  HB2)   2.860    1.060    1.060  
assign (resid  39 and name   HN)   (resid  39 and name  HB1)   2.860    1.060    1.060  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.455    0.655    0.655  
assign (resid  39 and name  HB2)   (resid  40 and name   HN)   3.050    1.250    1.250  
assign (resid  39 and name  HB1)   (resid  40 and name   HN)   3.050    1.250    1.250  
assign (resid  40 and name   HA)   (resid  40 and name  HD2)   3.425    1.625    1.625  
assign (resid  40 and name   HN)   (resid  47 and name   HN)   2.770    0.970    0.970  
assign (resid  40 and name   HN)   (resid  41 and name   HN)   3.365    1.565    1.565  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.275    0.475    0.475  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.455    0.655    0.655  
assign (resid  41 and name   HA)   (resid  41 and name  HD#)   2.620    0.820    0.820  
assign (resid  41 and name   HA)   (resid  41 and name  HE#)   3.185    1.385    1.385  
assign (resid  41 and name   HN)   (resid  41 and name  HD#)   3.085    1.285    1.285  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   3.430    1.630    1.630  
assign (resid  41 and name   HA)   (resid  42 and name   HN)   2.380    0.580    0.580  
assign (resid  41 and name  HB2)   (resid  42 and name   HN)   3.290    1.490    1.490  
assign (resid  41 and name  HB1)   (resid  42 and name   HN)   3.275    1.475    1.475  
assign (resid  42 and name   HN)   (resid  42 and name  HG2)   3.515    1.715    1.715  
assign (resid  42 and name   HN)   (resid  42 and name  HG1)   3.515    1.715    1.715  
assign (resid  41 and name  HD#)   (resid  42 and name   HA)   2.900    1.100    1.100  
assign (resid  41 and name  HD#)   (resid  42 and name   HN)   2.975    1.175    1.175  
assign (resid  46 and name   HN)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  46 and name   HN)   (resid  46 and name HG2#)   3.000    1.200    1.200  
assign (resid  40 and name   HN)   (resid  49 and name  HD#)   2.905    1.105    1.105  
assign (resid   5 and name   HN)   (resid   5 and name HD2#)   3.025    1.225    1.225  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.415    0.615    0.615  
assign (resid  17 and name   HA)   (resid  19 and name   HN)   3.145    1.345    1.345  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.515    0.715    0.715  
assign (resid  17 and name  HB1)   (resid  40 and name   HN)   3.395    1.595    1.595  
assign (resid  48 and name   HN)   (resid  48 and name  HB1)   2.660    0.860    0.860  
assign (resid  47 and name   HA)   (resid  48 and name   HN)   2.505    0.705    0.705  
assign (resid  51 and name  HG2)   (resid  52 and name   HN)   3.650    1.850    1.850  
assign (resid  51 and name  HG1)   (resid  52 and name   HN)   3.650    1.850    1.850  
assign (resid  51 and name  HB1)   (resid  52 and name   HN)   2.790    0.990    0.990  
assign (resid  50 and name   HA)   (resid  51 and name   HN)   2.515    0.715    0.715  
assign (resid  22 and name   HN)   (resid  22 and name  HG2)   3.015    1.215    1.215  
assign (resid  22 and name   HN)   (resid  22 and name  HG1)   3.015    1.215    1.215  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.745    0.945    0.945  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.745    0.945    0.945  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.685    0.885    0.885  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   2.720    0.920    0.920  
assign (resid  26 and name   HA)   (resid  29 and name   HN)   3.010    1.210    1.210  
assign (resid  25 and name   HA)   (resid  29 and name   HN)   3.100    1.300    1.300  
assign (resid  26 and name   HA)   (resid  30 and name   HN)   2.875    1.075    1.075  
assign (resid  33 and name   HN)   (resid  33 and name  HD#)   2.810    1.010    1.010  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.515    0.715    0.715  
assign (resid  42 and name  HB2)   (resid  42 and name HE22)   3.650    1.850    1.850  
assign (resid  42 and name  HB1)   (resid  42 and name HE22)   3.650    1.850    1.850  
assign (resid  42 and name  HB2)   (resid  42 and name HE21)   3.650    1.850    1.850  
assign (resid  42 and name  HB1)   (resid  42 and name HE21)   3.650    1.850    1.850  
assign (resid  43 and name   HA)   (resid  44 and name   HA)   2.340    0.540    0.540  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.440    0.640    0.640  
assign (resid  46 and name   HB)   (resid  47 and name   HN)   3.140    1.340    1.340  
assign (resid  46 and name HG1#)   (resid  47 and name   HN)   3.065    1.265    1.265  
assign (resid  46 and name HG2#)   (resid  47 and name   HN)   3.065    1.265    1.265  
assign (resid  47 and name  HE2)   (resid  48 and name   HN)   3.650    1.850    1.850  
assign (resid  47 and name  HE1)   (resid  48 and name   HN)   3.650    1.850    1.850  
assign (resid  48 and name   HN)   (resid  48 and name  HB2)   2.660    0.860    0.860  
assign (resid  47 and name   HN)   (resid  48 and name   HN)   3.360    1.560    1.560  
assign (resid  48 and name   HN)   (resid  49 and name   HN)   3.285    1.485    1.485  
assign (resid  49 and name   HA)   (resid  49 and name  HD#)   3.425    1.625    1.625  
assign (resid  49 and name   HN)   (resid  49 and name  HB1)   2.870    1.070    1.070  
assign (resid  49 and name   HN)   (resid  49 and name  HB2)   2.655    0.855    0.855  
assign (resid  49 and name  HB1)   (resid  50 and name   HN)   2.940    1.140    1.140  
assign (resid  50 and name   HN)   (resid  50 and name  HB1)   2.975    1.175    1.175  
assign (resid  49 and name   HN)   (resid  50 and name   HN)   3.395    1.595    1.595  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.670    0.870    0.870  
assign (resid  50 and name   HN)   (resid  50 and name  HB2)   2.975    1.175    1.175  
assign (resid  52 and name  HG2)   (resid  53 and name   HN)   3.340    1.540    1.540  
assign (resid  52 and name  HG1)   (resid  53 and name   HN)   3.340    1.540    1.540  
assign (resid  53 and name   HN)   (resid  53 and name  HB2)   2.635    0.835    0.835  
assign (resid  53 and name   HN)   (resid  53 and name  HG2)   3.385    1.585    1.585  
assign (resid  53 and name   HN)   (resid  53 and name  HG1)   3.385    1.585    1.585  
assign (resid  53 and name   HA)   (resid  54 and name   HN)   2.280    0.480    0.480  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.115    1.315    1.315  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.615    0.815    0.815  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.480    0.680    0.680  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.820    1.020    1.020  
assign (resid  43 and name   HN)   (resid  43 and name  HB1)   2.575    0.775    0.775  
assign (resid  43 and name   HN)   (resid  43 and name  HB2)   2.765    0.965    0.965  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.485    0.685    0.685  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   3.305    1.505    1.505  
assign (resid   6 and name   HN)   (resid  51 and name  HB1)   3.240    1.440    1.440  
assign (resid   6 and name   HN)   (resid  53 and name   HA)   3.230    1.430    1.430  
assign (resid   6 and name   HN)   (resid  52 and name   HN)   2.765    0.965    0.965  
assign (resid   5 and name  HB1)   (resid  54 and name   HN)   3.465    1.665    1.665  
assign (resid   3 and name HG1#)   (resid  54 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name HG2#)   (resid  54 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HZ2)   (resid  18 and name   HN)   2.895    1.095    1.095  
assign (resid   8 and name   HN)   (resid  49 and name  HB2)   3.315    1.515    1.515  
assign (resid   8 and name   HN)   (resid  49 and name  HD#)   3.185    1.385    1.385  
assign (resid   8 and name   HN)   (resid  52 and name   HN)   3.450    1.650    1.650  
assign (resid   8 and name   HN)   (resid  50 and name   HN)   2.945    1.145    1.145  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.650    0.850    0.850  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.115    1.315    1.315  
assign (resid  10 and name   HN)   (resid  49 and name  HD#)   3.320    1.520    1.520  
assign (resid  10 and name   HN)   (resid  50 and name   HN)   3.560    1.760    1.760  
assign (resid  11 and name   HN)   (resid  12 and name HG2#)   3.450    1.650    1.650  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   3.550    1.750    1.750  
assign (resid  12 and name   HA)   (resid  12 and name   HB)   2.395    0.595    0.595  
assign (resid   3 and name   HA)   (resid   3 and name HG1#)   2.735    0.935    0.935  
assign (resid   3 and name   HA)   (resid   3 and name HG2#)   2.735    0.935    0.935  
assign (resid  12 and name   HA)   (resid  12 and name HG2#)   2.500    0.700    0.700  
assign (resid  13 and name   HN)   (resid  26 and name HE21)   3.415    1.615    1.615  
assign (resid  13 and name   HN)   (resid  26 and name HE22)   3.415    1.615    1.615  
assign (resid  33 and name  HD#)   (resid  50 and name  HB2)   2.945    1.145    1.145  
assign (resid  33 and name  HD#)   (resid  50 and name  HB1)   2.945    1.145    1.145  
assign (resid  33 and name  HD#)   (resid  36 and name   HN)   3.650    1.850    1.850  
assign (resid  33 and name  HD#)   (resid  51 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name  HB#)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  28 and name   HN)   2.955    1.155    1.155  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.410    0.610    0.610  
assign (resid  28 and name   HN)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  46 and name HG2#)   3.525    1.725    1.725  
assign (resid  17 and name   HN)   (resid  46 and name HG1#)   3.525    1.725    1.725  
assign (resid  40 and name   HN)   (resid  46 and name HG2#)   3.460    1.660    1.660  
assign (resid  40 and name   HN)   (resid  46 and name HG1#)   3.460    1.660    1.660  
assign (resid  38 and name  HB#)   (resid  40 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.965    1.165    1.165  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.965    1.165    1.165  
assign (resid  40 and name   HN)   (resid  48 and name   HA)   3.105    1.305    1.305  
assign (resid  20 and name   HN)   (resid  22 and name   HN)   3.545    1.745    1.745  
assign (resid  19 and name  HB2)   (resid  22 and name   HN)   3.105    1.305    1.305  
assign (resid  19 and name  HB1)   (resid  22 and name   HN)   3.105    1.305    1.305  
assign (resid  13 and name  HH2)   (resid  22 and name   HN)   3.485    1.685    1.685  
assign (resid  19 and name  HB2)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  19 and name  HB1)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HH2)   (resid  23 and name   HN)   3.305    1.505    1.505  
assign (resid  23 and name   HN)   (resid  25 and name   HN)   3.560    1.760    1.760  
assign (resid  49 and name   HN)   (resid  49 and name  HD#)   2.880    1.080    1.080  
assign (resid  25 and name   HA)   (resid  25 and name  HG2)   3.020    1.220    1.220  
assign (resid  25 and name   HA)   (resid  25 and name  HG1)   3.020    1.220    1.220  
assign (resid  25 and name   HN)   (resid  27 and name   HN)   3.510    1.710    1.710  
assign (resid  26 and name   HA)   (resid  26 and name  HG2)   2.875    1.075    1.075  
assign (resid  26 and name   HA)   (resid  26 and name  HG1)   2.875    1.075    1.075  
assign (resid  13 and name  HZ3)   (resid  26 and name   HN)   3.365    1.565    1.565  
assign (resid  13 and name  HE3)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid  42 and name  HB2)   (resid  43 and name   HN)   3.580    1.780    1.780  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   3.580    1.780    1.780  
assign (resid  43 and name   HN)   (resid  44 and name   HA)   3.375    1.575    1.575  
assign (resid  41 and name  HD#)   (resid  43 and name   HN)   3.305    1.505    1.505  
assign (resid  41 and name  HE#)   (resid  43 and name   HN)   3.480    1.680    1.680  
assign (resid  43 and name   HN)   (resid  43 and name  HD#)   3.175    1.375    1.375  
assign (resid  28 and name   HA)   (resid  33 and name   HN)   2.530    0.730    0.730  
assign (resid  28 and name  HG2)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  28 and name  HG1)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  28 and name  HB#)   (resid  33 and name   HN)   3.495    1.695    1.695  
assign (resid  28 and name  HB#)   (resid  36 and name   HN)   3.520    1.720    1.720  
assign (resid  35 and name  HD#)   (resid  36 and name   HN)   3.490    1.690    1.690  
assign (resid  37 and name   HN)   (resid  38 and name  HB#)   3.205    1.405    1.405  
assign (resid  37 and name   HN)   (resid  50 and name   HA)   3.350    1.550    1.550  
assign (resid  38 and name   HN)   (resid  50 and name   HA)   3.040    1.240    1.240  
assign (resid  38 and name   HN)   (resid  49 and name   HN)   2.800    1.000    1.000  
assign (resid  39 and name   HA)   (resid  49 and name  HB2)   3.405    1.605    1.605  
assign (resid  39 and name   HA)   (resid  40 and name  HB2)   3.650    1.850    1.850  
assign (resid  39 and name   HA)   (resid  40 and name  HB1)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  39 and name   HA)   3.255    1.455    1.455  
assign (resid  20 and name   HN)   (resid  21 and name  HB#)   3.495    1.695    1.695  
assign (resid  41 and name   HN)   (resid  46 and name HG2#)   3.435    1.635    1.635  
assign (resid  41 and name   HN)   (resid  46 and name HG1#)   3.435    1.635    1.635  
assign (resid  35 and name  HD#)   (resid  53 and name   HN)   3.250    1.450    1.450  
assign (resid  42 and name   HA)   (resid  42 and name  HG2)   2.925    1.125    1.125  
assign (resid  42 and name   HA)   (resid  42 and name  HG1)   2.925    1.125    1.125  
assign (resid  41 and name  HE#)   (resid  42 and name   HN)   3.575    1.775    1.775  
assign (resid  42 and name   HN)   (resid  49 and name  HE#)   3.610    1.810    1.810  
assign (resid  42 and name   HN)   (resid  45 and name   HN)   3.615    1.815    1.815  
assign (resid  42 and name   HN)   (resid  47 and name   HN)   3.370    1.570    1.570  
assign (resid  43 and name  HB2)   (resid  44 and name   HA)   3.005    1.205    1.205  
assign (resid  41 and name  HE#)   (resid  45 and name   HN)   3.545    1.745    1.745  
assign (resid  41 and name  HD#)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  46 and name   HA)   (resid  46 and name HG1#)   2.620    0.820    0.820  
assign (resid  46 and name   HA)   (resid  46 and name HG2#)   2.620    0.820    0.820  
assign (resid  41 and name  HD#)   (resid  46 and name   HN)   3.355    1.555    1.555  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.335    0.535    0.535  
assign (resid  47 and name   HN)   (resid  49 and name  HE#)   3.075    1.275    1.275  
assign (resid  13 and name  HB2)   (resid  48 and name   HN)   3.480    1.680    1.680  
assign (resid  13 and name  HB1)   (resid  48 and name   HN)   3.480    1.680    1.680  
assign (resid  13 and name  HD1)   (resid  48 and name   HN)   3.270    1.470    1.470  
assign (resid  41 and name  HB2)   (resid  46 and name   HN)   3.650    1.850    1.850  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.425    0.625    0.625  
assign (resid  39 and name   HA)   (resid  49 and name   HN)   2.940    1.140    1.140  
assign (resid   8 and name HG1#)   (resid  50 and name   HN)   3.420    1.620    1.620  
assign (resid   8 and name HG2#)   (resid  50 and name   HN)   3.420    1.620    1.620  
assign (resid   5 and name   HA)   (resid   5 and name   HG)   2.785    0.985    0.985  
assign (resid   5 and name   HA)   (resid   5 and name HD1#)   2.990    1.190    1.190  
assign (resid  51 and name   HN)   (resid  51 and name  HB2)   2.455    0.655    0.655  
assign (resid  51 and name   HA)   (resid  52 and name   HN)   2.365    0.565    0.565  
assign (resid   7 and name   HA)   (resid  52 and name   HN)   3.120    1.320    1.320  
assign (resid   8 and name HG1#)   (resid  52 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name HG2#)   (resid  52 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  52 and name   HN)   3.305    1.505    1.505  
assign (resid  53 and name   HN)   (resid  53 and name  HB1)   2.635    0.835    0.835  
assign (resid  51 and name   HN)   (resid  52 and name   HN)   3.385    1.585    1.585  
assign (resid   8 and name   HN)   (resid  49 and name  HB1)   2.985    1.185    1.185  
assign (resid  49 and name  HD#)   (resid  50 and name   HN)   3.300    1.500    1.500  
assign (resid  10 and name   HN)   (resid  49 and name  HB1)   3.635    1.835    1.835  
assign (resid  33 and name  HD#)   (resid  50 and name   HA)   3.605    1.805    1.805  
assign (resid  39 and name   HA)   (resid  48 and name   HA)   2.650    0.850    0.850  
assign (resid  37 and name  HA2)   (resid  50 and name   HA)   2.685    0.885    0.885  
assign (resid  37 and name  HA1)   (resid  50 and name   HA)   2.685    0.885    0.885  
assign (resid  33 and name   HA)   (resid  36 and name   HN)   3.450    1.650    1.650  
assign (resid  13 and name  HE1)   (resid  17 and name   HA)   2.865    1.065    1.065  
assign (resid  13 and name  HE1)   (resid  47 and name   HA)   3.425    1.625    1.625  
assign (resid  13 and name  HZ2)   (resid  17 and name   HA)   2.605    0.805    0.805  
assign (resid  38 and name  HB#)   (resid  49 and name   HN)   3.310    1.510    1.510  
assign (resid  46 and name   HN)   (resid  46 and name   HB)   2.545    0.745    0.745  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.685    0.885    0.885  
assign (resid  13 and name  HE1)   (resid  18 and name   HN)   3.325    1.525    1.525  
assign (resid  22 and name  HG2)   (resid  22 and name  HZ#)   3.575    1.775    1.775  
assign (resid  22 and name  HG1)   (resid  22 and name  HZ#)   3.575    1.775    1.775  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.835    1.035    1.035  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.835    1.035    1.035  
assign (resid  13 and name  HZ3)   (resid  23 and name   HN)   3.155    1.355    1.355  
assign (resid  25 and name   HA)   (resid  28 and name  HE#)   3.085    1.285    1.285  
assign (resid  25 and name   HA)   (resid  28 and name  HB#)   2.790    0.990    0.990  
assign (resid  28 and name  HD#)   (resid  34 and name   HA)   3.410    1.610    1.610  
assign (resid  26 and name   HA)   (resid  29 and name  HB2)   3.175    1.375    1.375  
assign (resid  26 and name   HA)   (resid  29 and name  HB1)   3.175    1.375    1.375  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.565    1.765    1.765  
assign (resid  41 and name  HB2)   (resid  46 and name   HA)   3.270    1.470    1.470  
assign (resid  34 and name  HB#)   (resid  35 and name   HA)   3.070    1.270    1.270  
assign (resid  29 and name   HN)   (resid  31 and name   HN)   3.435    1.635    1.635  
assign (resid  13 and name  HD1)   (resid  17 and name   HA)   3.540    1.740    1.740  
assign (resid  13 and name  HH2)   (resid  23 and name   HA)   3.090    1.290    1.290  
assign (resid  13 and name  HZ3)   (resid  23 and name   HA)   2.660    0.860    0.860  
assign (resid  13 and name  HD1)   (resid  48 and name  HB2)   3.140    1.340    1.340  
assign (resid  13 and name  HH2)   (resid  22 and name  HB2)   2.810    1.010    1.010  
assign (resid  13 and name  HH2)   (resid  22 and name  HB1)   2.810    1.010    1.010  
assign (resid  13 and name  HZ2)   (resid  17 and name  HB2)   3.270    1.470    1.470  
assign (resid  13 and name  HD1)   (resid  17 and name  HB2)   3.400    1.600    1.600  
assign (resid  13 and name  HD1)   (resid  48 and name  HB1)   3.140    1.340    1.340  
assign (resid  13 and name  HE1)   (resid  17 and name  HB2)   3.195    1.395    1.395  
assign (resid  16 and name  HD2)   (resid  18 and name  HA2)   3.260    1.460    1.460  
assign (resid  16 and name  HD2)   (resid  18 and name  HA1)   3.260    1.460    1.460  
assign (resid  16 and name  HE1)   (resid  18 and name  HA2)   3.630    1.830    1.830  
assign (resid  16 and name  HE1)   (resid  18 and name  HA1)   3.630    1.830    1.830  
assign (resid  16 and name  HE1)   (resid  46 and name   HB)   3.395    1.595    1.595  
assign (resid  16 and name  HE1)   (resid  46 and name HG1#)   3.285    1.485    1.485  
assign (resid  16 and name  HE1)   (resid  46 and name HG2#)   3.285    1.485    1.485  
assign (resid  28 and name   HA)   (resid  33 and name   HA)   3.560    1.760    1.760  
assign (resid  43 and name   HA)   (resid  43 and name  HD#)   2.665    0.865    0.865  
assign (resid  12 and name HG2#)   (resid  30 and name   HE)   3.130    1.330    1.330  
assign (resid  34 and name   HN)   (resid  36 and name   HN)   3.305    1.505    1.505  
assign (resid  40 and name  HD2)   (resid  41 and name   HN)   3.575    1.775    1.775  
assign (resid  41 and name  HD#)   (resid  45 and name   HA)   3.090    1.290    1.290  
assign (resid  41 and name  HE#)   (resid  45 and name   HA)   2.870    1.070    1.070  
assign (resid  41 and name  HD#)   (resid  46 and name   HA)   2.940    1.140    1.140  
assign (resid  41 and name  HE#)   (resid  46 and name   HA)   3.520    1.720    1.720  
assign (resid  41 and name  HE#)   (resid  43 and name   HA)   2.800    1.000    1.000  
assign (resid  41 and name  HE#)   (resid  44 and name   HA)   3.515    1.715    1.715  
assign (resid  41 and name  HD#)   (resid  43 and name  HB2)   3.650    1.850    1.850  
assign (resid  41 and name  HD#)   (resid  46 and name HG1#)   3.120    1.320    1.320  
assign (resid  35 and name  HE#)   (resid  53 and name   HN)   3.240    1.440    1.440  
assign (resid  35 and name  HD#)   (resid  52 and name   HA)   3.165    1.365    1.365  
assign (resid  40 and name   HA)   (resid  49 and name  HD#)   3.580    1.780    1.780  
assign (resid   7 and name  HB1)   (resid  49 and name  HD#)   2.655    0.855    0.855  
assign (resid  35 and name  HD#)   (resid  51 and name  HB1)   3.395    1.595    1.595  
assign (resid  34 and name  HB#)   (resid  35 and name  HD#)   2.845    1.045    1.045  
assign (resid   5 and name HD1#)   (resid  35 and name  HD#)   2.760    0.960    0.960  
assign (resid   5 and name HD1#)   (resid  35 and name  HE#)   3.160    1.360    1.360  
assign (resid   3 and name HG1#)   (resid  35 and name  HE#)   2.990    1.190    1.190  
assign (resid   3 and name HG2#)   (resid  35 and name  HE#)   2.990    1.190    1.190  
assign (resid  28 and name  HG2)   (resid  36 and name   HN)   3.630    1.830    1.830  
assign (resid  28 and name  HG1)   (resid  36 and name   HN)   3.630    1.830    1.830  
assign (resid   5 and name HD2#)   (resid  35 and name  HD#)   2.760    0.960    0.960  
assign (resid   5 and name HD2#)   (resid  35 and name  HE#)   3.160    1.360    1.360  
assign (resid  33 and name   HA)   (resid  34 and name  HB#)   2.990    1.190    1.190  
assign (resid  43 and name  HD#)   (resid  44 and name   HA)   2.685    0.885    0.885  
assign (resid  17 and name  HB1)   (resid  39 and name   HN)   3.650    1.850    1.850  
assign (resid  41 and name   HA)   (resid  46 and name HG1#)   2.825    1.025    1.025  
assign (resid  41 and name   HA)   (resid  46 and name HG2#)   2.825    1.025    1.025  
assign (resid  40 and name   HA)   (resid  46 and name HG1#)   3.620    1.820    1.820  
assign (resid  40 and name   HA)   (resid  46 and name HG2#)   3.620    1.820    1.820  
assign (resid  40 and name   HA)   (resid  47 and name   HN)   3.570    1.770    1.770  
assign (resid   7 and name   HA)   (resid  49 and name  HD#)   3.235    1.435    1.435  
assign (resid  47 and name   HA)   (resid  49 and name  HE#)   3.370    1.570    1.570  
assign (resid   9 and name   HA)   (resid  49 and name  HD#)   2.820    1.020    1.020  
assign (resid   3 and name   HB)   (resid  35 and name  HE#)   3.345    1.545    1.545  
assign (resid  42 and name  HB2)   (resid  49 and name  HE#)   3.435    1.635    1.635  
assign (resid  42 and name  HB1)   (resid  49 and name  HE#)   3.435    1.635    1.635  
assign (resid  40 and name   HN)   (resid  49 and name  HE#)   2.990    1.190    1.190  
assign (resid   5 and name   HA)   (resid   5 and name HD2#)   2.990    1.190    1.190  
assign (resid  17 and name  HB2)   (resid  39 and name   HA)   3.650    1.850    1.850  
assign (resid  38 and name  HB#)   (resid  39 and name   HA)   3.375    1.575    1.575  
assign (resid  47 and name   HA)   (resid  47 and name  HG2)   2.930    1.130    1.130  
assign (resid   7 and name   HA)   (resid   8 and name HG2#)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name HG1#)   3.650    1.850    1.850  
assign (resid   8 and name HG1#)   (resid   9 and name  HD2)   3.225    1.425    1.425  
assign (resid   8 and name HG2#)   (resid   9 and name  HD2)   3.225    1.425    1.425  
assign (resid  28 and name  HD#)   (resid  36 and name  HA1)   3.465    1.665    1.665  
assign (resid   8 and name HG2#)   (resid  52 and name  HD2)   3.770    1.970    1.970  
assign (resid   8 and name HG1#)   (resid  52 and name  HD1)   3.770    1.970    1.970  
assign (resid  41 and name  HB2)   (resid  46 and name HG2#)   3.060    1.260    1.260  
assign (resid  41 and name  HB2)   (resid  46 and name HG1#)   3.060    1.260    1.260  
assign (resid   3 and name HG1#)   (resid  53 and name  HG2)   3.350    1.550    1.550  
assign (resid   3 and name HG1#)   (resid  53 and name  HG1)   3.350    1.550    1.550  
assign (resid   5 and name  HB2)   (resid   5 and name HD1#)   2.715    0.915    0.915  
assign (resid   5 and name  HB2)   (resid   5 and name HD2#)   2.715    0.915    0.915  
assign (resid   5 and name  HB1)   (resid   5 and name HD2#)   2.600    0.800    0.800  
assign (resid   5 and name  HB1)   (resid   5 and name HD1#)   2.600    0.800    0.800  
assign (resid   5 and name  HB1)   (resid  51 and name  HB1)   2.800    1.000    1.000  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   3.530    1.730    1.730  
assign (resid   7 and name   HA)   (resid  49 and name   HA)   3.650    1.850    1.850  
assign (resid  13 and name  HH2)   (resid  17 and name   HA)   3.425    1.625    1.625  
assign (resid   8 and name HG1#)   (resid  33 and name  HD#)   3.515    1.715    1.715  
assign (resid   8 and name HG2#)   (resid  33 and name  HD#)   3.515    1.715    1.715  
assign (resid  41 and name  HD#)   (resid  46 and name HG2#)   3.120    1.320    1.320  
assign (resid  41 and name  HD#)   (resid  42 and name  HB2)   3.650    1.850    1.850  
assign (resid  41 and name  HD#)   (resid  42 and name  HB1)   3.650    1.850    1.850  
assign (resid  41 and name  HD#)   (resid  43 and name   HA)   3.265    1.465    1.465  
assign (resid  35 and name  HD#)   (resid  51 and name  HB2)   3.040    1.240    1.240  
assign (resid  34 and name  HB#)   (resid  35 and name  HE#)   3.185    1.385    1.385  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   2.660    0.860    0.860  
assign (resid   5 and name  HB2)   (resid  51 and name   HA)   3.170    1.370    1.370  
assign (resid   5 and name  HB1)   (resid  51 and name   HA)   2.800    1.000    1.000  
assign (resid   7 and name   HA)   (resid  49 and name  HB1)   3.375    1.575    1.575  
assign (resid   7 and name   HA)   (resid  49 and name  HB2)   3.335    1.535    1.535  
assign (resid   3 and name HG2#)   (resid  53 and name  HG2)   3.350    1.550    1.550  
assign (resid   3 and name HG2#)   (resid  53 and name  HG1)   3.350    1.550    1.550  
assign (resid   8 and name HG1#)   (resid   9 and name  HD1)   3.225    1.425    1.425  
assign (resid   8 and name HG2#)   (resid   9 and name  HD1)   3.225    1.425    1.425  
assign (resid  12 and name HG2#)   (resid  30 and name  HB#)   3.150    1.350    1.350  
assign (resid  25 and name   HA)   (resid  28 and name  HD#)   3.110    1.310    1.310  
assign (resid  28 and name  HD#)   (resid  36 and name  HA2)   3.465    1.665    1.665  
assign (resid  28 and name   HA)   (resid  28 and name  HD#)   3.065    1.265    1.265  
assign (resid  47 and name   HA)   (resid  47 and name  HG1)   2.930    1.130    1.130  
assign (resid  42 and name  HG2)   (resid  43 and name   HA)   3.515    1.715    1.715  
assign (resid  42 and name  HG1)   (resid  43 and name   HA)   3.515    1.715    1.715  
assign (resid   5 and name  HB2)   (resid   6 and name   HA)   3.305    1.505    1.505  
assign (resid   5 and name  HB1)   (resid  52 and name   HA)   3.250    1.450    1.450  
assign (resid   3 and name   HN)   (resid   3 and name  HG*)   2.615    0.815    0.815  
assign (resid   3 and name   HA)   (resid   5 and name  HD#)   3.610    1.810    1.810  
assign (resid   3 and name   HB)   (resid   5 and name  HD#)   3.390    1.590    1.590  
assign (resid   3 and name  HG*)   (resid   4 and name   HN)   2.755    0.955    0.955  
assign (resid   3 and name  HG*)   (resid   5 and name  HD#)   2.520    0.720    0.720  
assign (resid   3 and name  HG*)   (resid  53 and name   HA)   3.325    1.525    1.525  
assign (resid   3 and name  HG*)   (resid  53 and name  HG#)   2.685    0.885    0.885  
assign (resid   3 and name  HG*)   (resid  53 and name HE2#)   3.375    1.575    1.575  
assign (resid   3 and name  HG*)   (resid  54 and name   HN)   3.205    1.405    1.405  
assign (resid   4 and name   HA)   (resid   5 and name  HD#)   3.310    1.510    1.510  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   2.425    0.625    0.625  
assign (resid   5 and name  HB2)   (resid   5 and name  HD#)   2.395    0.595    0.595  
assign (resid   5 and name  HD#)   (resid   6 and name   HN)   2.750    0.950    0.950  
assign (resid   5 and name  HD#)   (resid   6 and name   HA)   3.620    1.820    1.820  
assign (resid   5 and name  HD#)   (resid  35 and name   HN)   3.560    1.760    1.760  
assign (resid   5 and name  HD#)   (resid  35 and name  HB#)   2.570    0.770    0.770  
assign (resid   5 and name  HD#)   (resid  35 and name  HE#)   2.800    1.000    1.000  
assign (resid   5 and name  HD#)   (resid  51 and name  HB2)   2.990    1.190    1.190  
assign (resid   5 and name  HD#)   (resid  51 and name  HB1)   3.070    1.270    1.270  
assign (resid   5 and name  HD#)   (resid  52 and name   HN)   3.230    1.430    1.430  
assign (resid   5 and name  HD#)   (resid  53 and name   HN)   3.030    1.230    1.230  
assign (resid   5 and name  HD#)   (resid  53 and name   HA)   2.500    0.700    0.700  
assign (resid   5 and name  HD#)   (resid  53 and name  HB#)   2.935    1.135    1.135  
assign (resid   5 and name  HD#)   (resid  53 and name  HG#)   2.730    0.930    0.930  
assign (resid   5 and name  HD#)   (resid  54 and name   HN)   2.870    1.070    1.070  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.565    0.765    0.765  
assign (resid   6 and name   HN)   (resid  54 and name  HB#)   3.185    1.385    1.385  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.615    0.815    0.815  
assign (resid   6 and name  HB#)   (resid  52 and name   HN)   3.190    1.390    1.390  
assign (resid   7 and name   HN)   (resid   8 and name  HG*)   3.620    1.820    1.820  
assign (resid   7 and name   HA)   (resid   8 and name  HG*)   3.120    1.320    1.320  
assign (resid   8 and name   HN)   (resid   8 and name  HG*)   2.600    0.800    0.800  
assign (resid   8 and name   HN)   (resid   9 and name  HD#)   3.465    1.665    1.665  
assign (resid   8 and name  HG*)   (resid   9 and name  HD#)   2.630    0.830    0.830  
assign (resid   8 and name  HG*)   (resid  33 and name  HD#)   2.985    1.185    1.185  
assign (resid   8 and name  HG*)   (resid  50 and name   HN)   3.015    1.215    1.215  
assign (resid   8 and name  HG*)   (resid  52 and name   HN)   3.095    1.295    1.295  
assign (resid   8 and name  HG*)   (resid  52 and name  HD#)   2.640    0.840    0.840  
assign (resid   8 and name HG1#)   (resid  52 and name  HD2)   3.770    1.970    1.970  
assign (resid   8 and name HG2#)   (resid  52 and name  HD1)   3.770    1.970    1.970  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.805    1.005    1.005  
assign (resid   9 and name  HD#)   (resid  49 and name  HD#)   3.045    1.245    1.245  
assign (resid  10 and name   HN)   (resid  48 and name  HB#)   3.495    1.695    1.695  
assign (resid  10 and name  HB#)   (resid  13 and name   HN)   3.050    1.250    1.250  
assign (resid  10 and name  HB#)   (resid  13 and name  HB#)   2.990    1.190    1.190  
assign (resid  10 and name  HB#)   (resid  13 and name  HD1)   3.570    1.770    1.770  
assign (resid  10 and name  HB#)   (resid  48 and name   HN)   3.420    1.620    1.620  
assign (resid  10 and name  HB#)   (resid  48 and name  HB#)   2.980    1.180    1.180  
assign (resid  10 and name  HB#)   (resid  50 and name   HN)   3.480    1.680    1.680  
assign (resid  11 and name  HA#)   (resid  12 and name HG2#)   3.130    1.330    1.330  
assign (resid  13 and name  HB#)   (resid  13 and name  HD1)   2.575    0.775    0.775  
assign (resid  13 and name  HB#)   (resid  48 and name  HB#)   2.820    1.020    1.020  
assign (resid  13 and name  HD1)   (resid  48 and name  HB#)   2.870    1.070    1.070  
assign (resid  13 and name  HZ3)   (resid  26 and name HE2#)   3.510    1.710    1.710  
assign (resid  13 and name  HZ2)   (resid  22 and name  HB#)   3.455    1.655    1.655  
assign (resid  13 and name  HH2)   (resid  22 and name  HB#)   2.535    0.735    0.735  
assign (resid  15 and name  HA#)   (resid  16 and name   HN)   2.460    0.660    0.660  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.500    0.700    0.700  
assign (resid  16 and name  HB#)   (resid  16 and name  HD2)   2.645    0.845    0.845  
assign (resid  16 and name  HD2)   (resid  18 and name  HA#)   2.875    1.075    1.075  
assign (resid  16 and name  HD2)   (resid  46 and name  HG*)   3.620    1.820    1.820  
assign (resid  16 and name  HE1)   (resid  18 and name  HA#)   3.225    1.425    1.425  
assign (resid  16 and name  HE1)   (resid  46 and name  HG*)   2.795    0.995    0.995  
assign (resid  17 and name   HN)   (resid  46 and name  HG*)   2.960    1.160    1.160  
assign (resid  17 and name   HA)   (resid  46 and name  HG*)   3.430    1.630    1.630  
assign (resid  17 and name  HB2)   (resid  39 and name  HB#)   3.220    1.420    1.420  
assign (resid  17 and name  HB1)   (resid  46 and name  HG*)   2.595    0.795    0.795  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.560    0.760    0.760  
assign (resid  19 and name  HB#)   (resid  22 and name   HN)   2.760    0.960    0.960  
assign (resid  19 and name  HB#)   (resid  22 and name  HB#)   3.235    1.435    1.435  
assign (resid  19 and name  HB#)   (resid  22 and name  HZ#)   3.570    1.770    1.770  
assign (resid  19 and name  HB#)   (resid  23 and name   HN)   3.235    1.435    1.435  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.710    0.910    0.910  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.465    0.665    0.665  
assign (resid  22 and name   HN)   (resid  22 and name  HG#)   2.715    0.915    0.915  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.830    1.030    1.030  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.550    0.750    0.750  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.710    0.910    0.910  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.500    0.700    0.700  
assign (resid  24 and name  HB#)   (resid  27 and name   HN)   3.565    1.765    1.765  
assign (resid  24 and name  HB#)   (resid  28 and name   HN)   3.390    1.590    1.590  
assign (resid  24 and name  HB#)   (resid  37 and name   HN)   2.520    0.720    0.720  
assign (resid  24 and name  HB#)   (resid  37 and name  HA#)   3.250    1.450    1.450  
assign (resid  24 and name  HB#)   (resid  38 and name  HB#)   3.570    1.770    1.770  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.925    1.125    1.125  
assign (resid  25 and name   HA)   (resid  28 and name  HG#)   3.190    1.390    1.390  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.410    0.610    0.610  
assign (resid  26 and name   HA)   (resid  26 and name  HG#)   2.575    0.775    0.775  
assign (resid  26 and name   HA)   (resid  29 and name  HB#)   2.795    0.995    0.995  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.580    0.780    0.780  
assign (resid  26 and name  HG#)   (resid  26 and name HE2#)   2.485    0.685    0.685  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.550    0.750    0.750  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.730    0.930    0.930  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   3.190    1.390    1.390  
assign (resid  28 and name  HB#)   (resid  36 and name  HA#)   3.090    1.290    1.290  
assign (resid  28 and name  HG#)   (resid  36 and name   HN)   3.190    1.390    1.390  
assign (resid  28 and name  HG#)   (resid  36 and name  HA#)   3.145    1.345    1.345  
assign (resid  28 and name  HD#)   (resid  36 and name  HA#)   3.150    1.350    1.350  
assign (resid  30 and name   HN)   (resid  30 and name  HG#)   2.750    0.950    0.950  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.670    0.870    0.870  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   2.785    0.985    0.985  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.735    0.935    0.935  
assign (resid  33 and name   HN)   (resid  33 and name  HB#)   2.535    0.735    0.735  
assign (resid  33 and name  HB#)   (resid  34 and name   HN)   3.060    1.260    1.260  
assign (resid  33 and name  HB#)   (resid  35 and name   HN)   3.125    1.325    1.325  
assign (resid  33 and name  HB#)   (resid  50 and name  HB#)   3.040    1.240    1.240  
assign (resid  33 and name  HD#)   (resid  50 and name  HB#)   2.675    0.875    0.875  
assign (resid  33 and name  HD#)   (resid  52 and name  HB#)   2.810    1.010    1.010  
assign (resid  33 and name  HE#)   (resid  50 and name  HB#)   3.160    1.360    1.360  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.490    0.690    0.690  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   3.055    1.255    1.255  
assign (resid  35 and name  HB#)   (resid  51 and name  HB2)   2.845    1.045    1.045  
assign (resid  35 and name  HD#)   (resid  53 and name  HB#)   3.390    1.590    1.590  
assign (resid  35 and name  HD#)   (resid  53 and name  HG#)   3.175    1.375    1.375  
assign (resid  35 and name  HE#)   (resid  53 and name  HB#)   2.935    1.135    1.135  
assign (resid  36 and name  HA#)   (resid  37 and name   HN)   2.340    0.540    0.540  
assign (resid  37 and name  HA#)   (resid  38 and name  HB#)   2.855    1.055    1.055  
assign (resid  37 and name  HA#)   (resid  51 and name   HN)   2.915    1.115    1.115  
assign (resid  39 and name   HN)   (resid  39 and name  HB#)   2.545    0.745    0.745  
assign (resid  39 and name   HA)   (resid  40 and name  HB#)   3.305    1.505    1.505  
assign (resid  39 and name   HA)   (resid  46 and name  HG*)   3.030    1.230    1.230  
assign (resid  39 and name  HB#)   (resid  40 and name   HN)   2.735    0.935    0.935  
assign (resid  39 and name  HB#)   (resid  46 and name  HG*)   2.425    0.625    0.625  
assign (resid  40 and name   HN)   (resid  46 and name  HG*)   2.745    0.945    0.945  
assign (resid  40 and name   HN)   (resid  47 and name  HB#)   3.505    1.705    1.705  
assign (resid  40 and name   HA)   (resid  46 and name  HG*)   2.920    1.120    1.120  
assign (resid  40 and name  HB#)   (resid  46 and name  HG*)   3.215    1.415    1.415  
assign (resid  40 and name  HB#)   (resid  47 and name   HN)   3.260    1.460    1.460  
assign (resid  40 and name  HB#)   (resid  49 and name   HN)   3.570    1.770    1.770  
assign (resid  40 and name  HB#)   (resid  49 and name  HD#)   2.715    0.915    0.915  
assign (resid  41 and name   HN)   (resid  46 and name  HG*)   3.000    1.200    1.200  
assign (resid  41 and name  HB2)   (resid  46 and name  HG*)   2.755    0.955    0.955  
assign (resid  41 and name  HD#)   (resid  42 and name  HB#)   3.315    1.515    1.515  
assign (resid  41 and name  HD#)   (resid  46 and name  HG*)   2.515    0.715    0.715  
assign (resid  41 and name  HE#)   (resid  46 and name  HG*)   2.850    1.050    1.050  
assign (resid  42 and name   HN)   (resid  42 and name  HB#)   2.625    0.825    0.825  
assign (resid  42 and name   HN)   (resid  42 and name  HG#)   3.185    1.385    1.385  
assign (resid  42 and name   HN)   (resid  46 and name  HG*)   3.290    1.490    1.490  
assign (resid  42 and name   HA)   (resid  42 and name HE2#)   3.560    1.760    1.760  
assign (resid  42 and name  HB#)   (resid  42 and name HE2#)   2.985    1.185    1.185  
assign (resid  42 and name  HB#)   (resid  49 and name  HE#)   3.120    1.320    1.320  
assign (resid  42 and name  HG#)   (resid  43 and name   HN)   3.055    1.255    1.255  
assign (resid  43 and name   HA)   (resid  44 and name  HB#)   3.180    1.380    1.380  
assign (resid  44 and name  HG#)   (resid  45 and name   HN)   3.050    1.250    1.250  
assign (resid  44 and name  HD#)   (resid  45 and name   HN)   2.840    1.040    1.040  
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.695    0.895    0.895  
assign (resid  45 and name  HB#)   (resid  46 and name   HN)   2.535    0.735    0.735  
assign (resid  46 and name   HN)   (resid  46 and name  HG*)   2.560    0.760    0.760  
assign (resid  46 and name  HG*)   (resid  47 and name   HN)   2.640    0.840    0.840  
assign (resid  46 and name  HG*)   (resid  47 and name   HA)   2.815    1.015    1.015  
assign (resid  47 and name   HN)   (resid  47 and name  HG#)   3.120    1.320    1.320  
assign (resid  47 and name   HA)   (resid  47 and name  HD#)   2.990    1.190    1.190  
assign (resid  47 and name  HB#)   (resid  48 and name   HN)   2.850    1.050    1.050  
assign (resid  47 and name  HB#)   (resid  49 and name  HD#)   3.155    1.355    1.355  
assign (resid  47 and name  HG#)   (resid  48 and name   HN)   3.185    1.385    1.385  
assign (resid  48 and name   HN)   (resid  48 and name  HB#)   2.385    0.585    0.585  
assign (resid  50 and name   HN)   (resid  50 and name  HB#)   2.655    0.855    0.855  
assign (resid  50 and name  HB#)   (resid  51 and name   HN)   2.665    0.865    0.865  
assign (resid  51 and name   HN)   (resid  51 and name  HG#)   2.925    1.125    1.125  
assign (resid  52 and name   HN)   (resid  52 and name  HB#)   2.720    0.920    0.920  
assign (resid  52 and name   HN)   (resid  52 and name  HG#)   2.735    0.935    0.935  
assign (resid  52 and name  HG#)   (resid  53 and name   HN)   2.935    1.135    1.135  
assign (resid  53 and name   HN)   (resid  53 and name  HB#)   2.395    0.595    0.595  
assign (resid  53 and name   HN)   (resid  53 and name  HG#)   2.995    1.195    1.195  
assign (resid  53 and name   HA)   (resid  53 and name  HG#)   2.770    0.970    0.970  
assign (resid  54 and name   HN)   (resid  54 and name  HB#)   2.615    0.815    0.815  
!dihedral restraints
assign (resid   2 and name C    ) (resid    3 and name N    )
       (resid   3 and name CA   ) (resid    3 and name C    )    1.0 -80.0   40.0 2
assign (resid   3 and name N    ) (resid    3 and name CA   )
       (resid   3 and name C    ) (resid    4 and name N    )    1.0  130.0   40.0 2

assign (resid   3 and name C    ) (resid    4 and name N    )
       (resid   4 and name CA   ) (resid    4 and name C    )    1.0 -100.0   40.0 2
assign (resid   4 and name N    ) (resid    4 and name CA   )
       (resid   4 and name C    ) (resid    5 and name N    )    1.0  120.0   50.0 2

assign (resid   4 and name C    ) (resid    5 and name N    )
       (resid   5 and name CA   ) (resid    5 and name C    )    1.0 -120.0   50.0 2
assign (resid   5 and name N    ) (resid    5 and name CA   )
       (resid   5 and name C    ) (resid    6 and name N    )    1.0  150.0   30.0 2
assign (resid   5 and name N ) (resid   5 and name CA )
       (resid   5 and name CB) (resid   5 and name CG )   1.0   -60.0  30.0  2

assign (resid   5 and name C    ) (resid    6 and name N    )
       (resid   6 and name CA   ) (resid    6 and name C    )    1.0 -100.0   80.0 2
assign (resid   6 and name N    ) (resid    6 and name CA   )
       (resid   6 and name C    ) (resid    7 and name N    )    1.0  130.0   30.0 2
assign (resid   6 and name N ) (resid   6 and name CA )
       (resid   6 and name CB) (resid   6 and name SG )   1.0  -60.0  30.0  2

assign (resid   6 and name C    ) (resid    7 and name N    )
       (resid   7 and name CA   ) (resid    7 and name C    )    1.0 -100.0   80.0 2
assign (resid   7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  140.0   40.0 2
assign (resid   7 and name N ) (resid   7 and name CA )
       (resid   7 and name CB) (resid   7 and name CG )   1.0  -60.0  30.0  2

assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -100.0   40.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  120.0   60.0 2

assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -100.0   50.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  130.0   50.0 2

assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -100.0   80.0 2

assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -80.0   30.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  130.0   30.0 2
assign (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name CB) (resid   13 and name CG )   1.0  -180.0  30.0  2

assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -100.0   50.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  130.0   30.0 2

assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -120.0   50.0 2
assign (resid   17 and name N    ) (resid   17 and name CA  )
       (resid   17 and name C    ) (resid   18 and name N   )     1.0  130.0   40.0 2
assign (resid   17 and name N ) (resid 17 and name CA )
       (resid   17 and name CB) (resid 17 and name SG )   1.0  -180.0  30.0  2

assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )   1.0  -120.0   50.0  2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )   1.0   120.0   40.0  2
assign (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name CB) (resid   19 and name CG )   1.0  -60.0  30.0  2

assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )   1.0  -80.0  40.0  2

assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )   1.0 -100.0  40.0  2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )   1.0    0.0  40.0  2

assign (resid   21 and name C    ) (resid   22 and name N    ) 
       (resid   22 and name CA   ) (resid   22 and name C    )   1.0  -90.0  60.0  2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )   1.0  -20.0  50.0  2

assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )   1.0  -60.0   30.0  2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )   1.0  -40.0   20.0 2

assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )   1.0  -60.0  30.0  2
assign (resid   24 and name N    ) (resid   24 and name CA   ) 
       (resid   24 and name C    ) (resid   25 and name N    )   1.0  -30.0  40.0  2

assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )   1.0  -90.0  40.0  2

assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )   1.0  -70.0  40.0  2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )   1.0  -40.0  40.0  2
assign (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name CB) (resid   26 and name CG )   1.0  -180.0  30.0  2

assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )   1.0  -60.0  30.0  2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )   1.0  -40.0  30.0  2

assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )   1.0  -80.0  40.0  2
assign (resid   28 and name N    ) (resid   28 and name CA   ) 
       (resid   28 and name C    ) (resid   29 and name N    )   1.0  -40.0  30.0  2

assign (resid   28 and name C    ) (resid   29 and name N    ) 
       (resid   29 and name CA   ) (resid   29 and name C    )   1.0  -60.0  30.0  2
assign (resid   29 and name N    ) (resid   29 and name CA   ) 
       (resid   29 and name C    ) (resid   30 and name N    )   1.0  -40.0  30.0  2
assign (resid   29 and name N ) (resid 29 and name CA )
       (resid   29 and name CB) (resid 29 and name CG )   1.0  -180.0  30.0  2

assign (resid   29 and name C    ) (resid   30 and name N    ) 
       (resid   30 and name CA   ) (resid   30 and name C    )   1.0  -80.0  40.0  2

assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )   1.0  -100.0  80.0  2

assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )   1.0  -100.0 40.0  2

assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )   1.0  -100.0  80.0  2
assign (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name CB) (resid   33 and name CG )   1.0  -60.0  30.0  2

assign (resid   33 and name C    ) (resid    34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )   1.0  -60.0  30.0  2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )   1.0  -30.0  30.0  2

assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )   1.0  -80.0  40.0  2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )   1.0  0.0   40.0  2
assign (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name CB) (resid   35 and name CG )   1.0  -60.0  30.0  2

assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )   1.0  -100.0 80.0  2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )   1.0  140.0  40.0  2

assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )   1.0   -100.0  80.0  2
assign (resid   39 and name N    ) (resid   39 and name CA   ) 
       (resid   39 and name C    ) (resid   40 and name N    )   1.0  140.0  40.0  2
assign (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name CB) (resid 39 and name SG )   1.0  -60.0  30.0  2

assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )   1.0  -120.0  50.0  2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )   1.0  140.0  40.0  2

assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )   1.0  -100.0  80.0  2
assign (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name CB) (resid   41 and name CG )   1.0  -180.0  30.0  2

assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )   1.0  -100.0  80.0  2
assign (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name CB) (resid   43 and name CG )   1.0  -180.0  30.0  2

assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )   1.0  -120.0  40.0  2
assign (resid   45 and name N    ) (resid   45 and name CA   )   
       (resid   45 and name C    ) (resid   46 and name N    )   1.0  130.0  50.0  2

assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )   1.0  -100.0  80.0  2

assign (resid   46 and name C   ) (resid   47 and name N    )
       (resid   47 and name CA  ) (resid   47 and name C    )   1.0  -100.0  50.0  2
assign (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name CB) (resid   47 and name CG )   1.0  -180.0  30.0  2

assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and  name C    )   1.0  -110.0  70.0  2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )   1.0  130.0  50.0  2
assign (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name CB) (resid   48 and name SG )   1.0  -180.0  30.0  2

assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid  49 and name C    )   1.0   -120.0  30.0  2
assign (resid   49 and name N    ) (resid  49 and name CA   )
       (resid   49 and name C    ) (resid  50 and name N    )   1.0  130.0  50.0  2
assign (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name CB) (resid   49 and name CG )   1.0  -60.0  30.0  2

assign (resid   49 and name C    ) (resid  50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )   1.0  -100.0  80.0  2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )   1.0  140.0  40.0  2
assign (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name CB) (resid   50 and name SG )   1.0  -60.0  30.0  2

assign (resid   50 and name C    ) (resid   51 and name N   ) 
       (resid   51 and name CA   ) (resid   51 and name C   )   1.0  -120.0  50.0  2
assign (resid   51 and name N    ) (resid   51 and name CA   )
        (resid   51 and name C    ) (resid   52 and name N   )   1.0  140.0  40.0  2

assign (resid   51 and name C   ) (resid   52 and name N   )
       (resid   52 and name CA   ) (resid   52 and name C   )   1.0  -120.0  50.0  2
assign (resid   52 and name N   ) (resid   52 and name CA   )
       (resid   52 and name C   ) (resid   53 and name N   )   1.0  140.0  40.0  2
assign (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name CB) (resid   52 and name CG )   1.0  60.0  30.0  2

!hbond restraints
assign (resid 6 and name HN)(resid 52 and name O) 0 0 2
assign (resid 6 and name N)(resid 52 and name O) 0 0 3
assign (resid 8 and name HN)(resid 50 and name O) 0 0 2
assign (resid 8 and name N)(resid 50 and name O) 0 0 3
assign (resid 25 and name HN)(resid 21 and name O) 0 0 2
assign (resid 25 and name N)(resid 21 and name O) 0 0 3
assign (resid 26 and name HN)(resid 22 and name O) 0 0 2
assign (resid 26 and name N)(resid 22 and name O) 0 0 3
assign (resid 28 and name HN)(resid 24 and name O) 0 0 2
assign (resid 28 and name N)(resid 24 and name O) 0 0 3
assign (resid 29 and name HN)(resid 25 and name O) 0 0 2
assign (resid 29 and name N)(resid 25 and name O) 0 0 3
assign (resid 30 and name HN)(resid 26 and name O) 0 0 2
assign (resid 30 and name N)(resid 26 and name O) 0 0 3
assign (resid 31 and name HN)(resid 27 and name O) 0 0 2
assign (resid 31 and name N)(resid 27 and name O) 0 0 3
assign (resid 36 and name HN)(resid 33 and name O) 0 0 2
assign (resid 36 and name N)(resid 33 and name O) 0 0 3  
assign (resid 38 and name HN)(resid 49 and name O) 0 0 2
assign (resid 38 and name N)(resid 49 and name O) 0 0 3
assign (resid 40 and name HN)(resid 47 and name O) 0 0 2
assign (resid 40 and name N)(resid 47 and name O) 0 0 3
assign (resid 47 and name HN)(resid 40 and name O) 0 0 2
assign (resid 47 and name N)(resid 40 and name O) 0 0 3
assign (resid 49 and name HN)(resid 38 and name O) 0 0 2
assign (resid 49 and name N)(resid 38 and name O) 0 0 3
assign (resid 52 and name HN)(resid 6 and name O) 0 0 2
assign (resid 52 and name N)(resid 6 and name O) 0 0 3
assign (resid 54 and name HN)(resid 4 and name O) 0 0 2
assign (resid 54 and name N)(resid 4 and name O) 0 0 3

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           1HT      ASP   1  17.046  -4.802 -10.678
    2    H2   ASP   1           2HT      ASP   1  16.523  -3.456 -11.534
    3    H3   ASP   1           3HT      ASP   1  17.995  -4.164 -11.899
    4    HA   ASP   1           HA       ASP   1  16.228  -4.689 -13.504
    5    HB2  ASP   1           2HB      ASP   1  17.305  -7.035 -11.913
    6    HB3  ASP   1           1HB      ASP   1  16.511  -7.183 -13.473
    7    H    GLY   2           H        GLY   2  15.684  -6.634 -10.553
    8    HA2  GLY   2           2HA      GLY   2  12.899  -5.933 -10.660
    9    HA3  GLY   2           1HA      GLY   2  13.287  -7.625 -10.956
   10    H    VAL   3           H        VAL   3  13.742  -4.996  -8.663
   11    HA   VAL   3           HA       VAL   3  14.585  -6.691  -6.558
   12    HB   VAL   3           HB       VAL   3  15.008  -4.201  -6.594
   13   HG11  VAL   3          1HG1      VAL   3  12.875  -3.391  -7.365
   14   HG12  VAL   3          2HG1      VAL   3  13.315  -2.654  -5.816
   15   HG13  VAL   3          3HG1      VAL   3  12.122  -3.947  -5.864
   16   HG21  VAL   3          3HG2      VAL   3  15.314  -5.416  -4.535
   17   HG22  VAL   3          1HG2      VAL   3  13.602  -5.237  -4.154
   18   HG23  VAL   3          2HG2      VAL   3  14.649  -3.817  -4.199
   19    H    LYS   4           H        LYS   4  13.396  -7.689  -4.942
   20    HA   LYS   4           HA       LYS   4  10.682  -8.250  -5.774
   21    HB2  LYS   4           2HB      LYS   4  12.290  -9.506  -3.550
   22    HB3  LYS   4           1HB      LYS   4  10.819 -10.133  -4.275
   23    HG2  LYS   4           2HG      LYS   4  13.472  -9.826  -5.678
   24    HG3  LYS   4           1HG      LYS   4  12.795 -11.333  -5.071
   25    HD2  LYS   4           2HD      LYS   4  10.947 -11.170  -6.636
   26    HD3  LYS   4           1HD      LYS   4  11.518  -9.589  -7.174
   27    HE2  LYS   4           2HE      LYS   4  12.137 -11.333  -8.767
   28    HE3  LYS   4           1HE      LYS   4  13.559 -10.603  -8.033
   29    HZ1  LYS   4           3HZ      LYS   4  12.364 -13.193  -7.190
   30    HZ2  LYS   4           1HZ      LYS   4  13.772 -12.501  -6.587
   31    HZ3  LYS   4           2HZ      LYS   4  13.710 -13.032  -8.183
   32    H    LEU   5           H        LEU   5   9.153  -6.947  -5.044
   33    HA   LEU   5           HA       LEU   5   9.446  -5.929  -2.317
   34    HB2  LEU   5           2HB      LEU   5   7.648  -4.752  -4.444
   35    HB3  LEU   5           1HB      LEU   5   8.092  -4.110  -2.873
   36    HG   LEU   5           HG       LEU   5  10.028  -4.460  -5.126
   37   HD11  LEU   5          1HD1      LEU   5   8.609  -1.983  -4.154
   38   HD12  LEU   5          2HD1      LEU   5   8.383  -2.777  -5.714
   39   HD13  LEU   5          3HD1      LEU   5   9.922  -2.005  -5.332
   40   HD21  LEU   5          3HD2      LEU   5  11.106  -4.529  -2.977
   41   HD22  LEU   5          1HD2      LEU   5  10.257  -3.068  -2.461
   42   HD23  LEU   5          2HD2      LEU   5  11.453  -2.985  -3.751
   43    H    CYS   6           H        CYS   6   7.852  -6.172  -0.962
   44    HA   CYS   6           HA       CYS   6   5.713  -8.020  -1.763
   45    HB2  CYS   6           2HB      CYS   6   6.900  -7.581   0.979
   46    HB3  CYS   6           1HB      CYS   6   5.671  -8.769   0.560
   47    H    ASP   7           H        ASP   7   3.739  -7.248  -1.752
   48    HA   ASP   7           HA       ASP   7   3.168  -4.596  -0.786
   49    HB2  ASP   7           2HB      ASP   7   1.332  -6.692  -1.997
   50    HB3  ASP   7           1HB      ASP   7   0.886  -5.027  -1.681
   51    H    VAL   8           H        VAL   8   2.925  -4.364   1.314
   52    HA   VAL   8           HA       VAL   8   1.539  -6.476   2.793
   53    HB   VAL   8           HB       VAL   8   2.600  -5.634   4.854
   54   HG11  VAL   8          1HG1      VAL   8   4.569  -6.199   2.648
   55   HG12  VAL   8          2HG1      VAL   8   3.715  -7.394   3.620
   56   HG13  VAL   8          3HG1      VAL   8   4.907  -6.333   4.373
   57   HG21  VAL   8          3HG2      VAL   8   2.863  -3.276   4.258
   58   HG22  VAL   8          1HG2      VAL   8   4.068  -3.704   3.044
   59   HG23  VAL   8          2HG2      VAL   8   4.411  -3.961   4.755
   60    HA   PRO   9           HA       PRO   9  -1.902  -3.833   3.253
   61    HB2  PRO   9           2HB      PRO   9  -3.040  -4.898   5.489
   62    HB3  PRO   9           1HB      PRO   9  -3.127  -5.664   3.901
   63    HG2  PRO   9           2HG      PRO   9  -1.314  -6.269   6.196
   64    HG3  PRO   9           1HG      PRO   9  -2.138  -7.385   5.094
   65    HD2  PRO   9           2HD      PRO   9   0.484  -6.738   4.847
   66    HD3  PRO   9           1HD      PRO   9  -0.540  -7.140   3.455
   67    H    SER  10           H        SER  10  -2.439  -1.959   4.241
   68    HA   SER  10           HA       SER  10  -0.670  -1.023   6.307
   69    HB2  SER  10           2HB      SER  10  -1.865   1.156   5.762
   70    HB3  SER  10           1HB      SER  10  -0.927   0.442   4.446
   71    HG   SER  10           HG       SER  10  -2.715  -0.037   3.399
   72    H    GLY  11           H        GLY  11  -1.340  -0.399   8.335
   73    HA2  GLY  11           2HA      GLY  11  -4.068  -1.097   9.121
   74    HA3  GLY  11           1HA      GLY  11  -2.708  -0.816  10.208
   75    H    THR  12           H        THR  12  -1.985   1.537   8.457
   76    HA   THR  12           HA       THR  12  -3.325   3.557   9.899
   77    HB   THR  12           HB       THR  12  -1.977   4.932   8.156
   78    HG1  THR  12           1HG      THR  12  -0.577   3.787   6.942
   79   HG21  THR  12          3HG2      THR  12  -1.269   4.617  10.494
   80   HG22  THR  12          1HG2      THR  12   0.117   4.508   9.412
   81   HG23  THR  12          2HG2      THR  12  -0.596   3.041  10.089
   82    H    TRP  13           H        TRP  13  -3.145   2.706   6.470
   83    HA   TRP  13           HA       TRP  13  -5.290   4.464   5.740
   84    HB2  TRP  13           2HB      TRP  13  -3.295   3.851   4.282
   85    HB3  TRP  13           1HB      TRP  13  -4.026   2.269   4.085
   86    HD1  TRP  13           HD       TRP  13  -6.758   2.553   3.034
   87    HE1  TRP  13           1HE      TRP  13  -7.416   4.012   0.970
   88    HE3  TRP  13           3HE      TRP  13  -2.730   5.673   2.879
   89    HZ2  TRP  13           2HZ      TRP  13  -6.346   6.121  -0.506
   90    HZ3  TRP  13           3HZ      TRP  13  -2.613   7.376   1.103
   91    HH2  TRP  13           HH       TRP  13  -4.390   7.585  -0.554
   92    H    SER  14           H        SER  14  -7.407   3.893   5.483
   93    HA   SER  14           HA       SER  14  -8.163   1.113   5.310
   94    HB2  SER  14           2HB      SER  14  -9.243   2.984   7.449
   95    HB3  SER  14           1HB      SER  14  -9.865   1.370   7.104
   96    HG   SER  14           HG       SER  14  -7.209   1.282   7.451
   97    H    GLY  15           H        GLY  15 -10.377   0.913   4.539
   98    HA2  GLY  15           2HA      GLY  15 -12.389   1.866   3.711
   99    HA3  GLY  15           1HA      GLY  15 -11.540   3.391   3.495
  100    H    HIS  16           H        HIS  16 -10.685   3.839   1.571
  101    HA   HIS  16           HA       HIS  16 -10.458   1.699  -0.406
  102    HB2  HIS  16           2HB      HIS  16 -12.650   2.714  -0.760
  103    HB3  HIS  16           1HB      HIS  16 -11.945   4.320  -0.742
  104    HD1  HIS  16           1HD      HIS  16 -12.412   1.323  -2.995
  105    HD2  HIS  16           2HD      HIS  16 -10.794   5.152  -3.102
  106    HE1  HIS  16           1HE      HIS  16 -11.848   1.793  -5.415
  107    H    CYS  17           H        CYS  17  -8.839   1.984  -1.847
  108    HA   CYS  17           HA       CYS  17  -7.060   4.309  -1.501
  109    HB2  CYS  17           2HB      CYS  17  -6.129   2.001  -1.052
  110    HB3  CYS  17           1HB      CYS  17  -6.443   1.612  -2.734
  111    H    GLY  18           H        GLY  18  -7.696   5.780  -3.020
  112    HA2  GLY  18           2HA      GLY  18  -8.455   4.773  -5.668
  113    HA3  GLY  18           1HA      GLY  18  -8.857   6.357  -5.025
  114    H    SER  19           H        SER  19  -5.978   6.439  -4.023
  115    HA   SER  19           HA       SER  19  -4.735   6.984  -6.596
  116    HB2  SER  19           2HB      SER  19  -3.651   9.015  -5.512
  117    HB3  SER  19           1HB      SER  19  -5.377   9.144  -5.835
  118    HG   SER  19           HG       SER  19  -5.451   8.256  -3.518
  119    H    SER  20           H        SER  20  -3.011   5.790  -6.856
  120    HA   SER  20           HA       SER  20  -1.845   4.432  -4.686
  121    HB2  SER  20           2HB      SER  20  -0.268   3.648  -6.577
  122    HB3  SER  20           1HB      SER  20  -1.975   3.203  -6.662
  123    HG   SER  20           HG       SER  20  -0.528   5.079  -8.143
  124    H    SER  21           H        SER  21  -1.219   7.412  -6.334
  125    HA   SER  21           HA       SER  21   1.493   7.720  -5.667
  126    HB2  SER  21           2HB      SER  21   0.915  10.145  -6.086
  127    HB3  SER  21           1HB      SER  21   0.515   9.036  -7.403
  128    HG   SER  21           HG       SER  21  -1.147  10.542  -6.806
  129    H    LYS  22           H        LYS  22  -1.528   8.621  -4.087
  130    HA   LYS  22           HA       LYS  22  -0.154   9.804  -1.877
  131    HB2  LYS  22           2HB      LYS  22  -3.080   9.123  -2.190
  132    HB3  LYS  22           1HB      LYS  22  -2.404   9.994  -0.817
  133    HG2  LYS  22           2HG      LYS  22  -1.578  11.726  -2.388
  134    HG3  LYS  22           1HG      LYS  22  -2.407  10.882  -3.692
  135    HD2  LYS  22           2HD      LYS  22  -4.544  11.220  -2.543
  136    HD3  LYS  22           1HD      LYS  22  -3.704  12.063  -1.236
  137    HE2  LYS  22           2HE      LYS  22  -2.883  13.714  -2.888
  138    HE3  LYS  22           1HE      LYS  22  -3.832  12.901  -4.128
  139    HZ1  LYS  22           3HZ      LYS  22  -5.842  13.432  -2.855
  140    HZ2  LYS  22           1HZ      LYS  22  -4.987  14.821  -3.255
  141    HZ3  LYS  22           2HZ      LYS  22  -4.910  14.221  -1.698
  142    H    CYS  23           H        CYS  23  -1.651   6.727  -2.544
  143    HA   CYS  23           HA       CYS  23  -1.378   5.494  -0.062
  144    HB2  CYS  23           2HB      CYS  23  -2.488   4.345  -1.881
  145    HB3  CYS  23           1HB      CYS  23  -1.023   4.398  -2.850
  146    H    SER  24           H        SER  24   1.002   5.672  -2.722
  147    HA   SER  24           HA       SER  24   3.038   4.424  -1.289
  148    HB2  SER  24           2HB      SER  24   4.534   5.445  -3.079
  149    HB3  SER  24           1HB      SER  24   3.217   4.400  -3.617
  150    HG   SER  24           HG       SER  24   2.156   6.064  -4.384
  151    H    GLN  25           H        GLN  25   2.248   7.861  -1.686
  152    HA   GLN  25           HA       GLN  25   4.436   8.862  -0.273
  153    HB2  GLN  25           2HB      GLN  25   2.974  10.361  -1.521
  154    HB3  GLN  25           1HB      GLN  25   1.624   9.966  -0.466
  155    HG2  GLN  25           2HG      GLN  25   2.600  12.157   0.043
  156    HG3  GLN  25           1HG      GLN  25   2.716  11.045   1.407
  157   HE21  GLN  25          1HE2      GLN  25   4.416  12.131   2.328
  158   HE22  GLN  25          2HE2      GLN  25   6.015  12.097   1.693
  159    H    GLN  26           H        GLN  26   1.276   7.776   0.844
  160    HA   GLN  26           HA       GLN  26   1.572   8.362   3.537
  161    HB2  GLN  26           2HB      GLN  26  -0.574   7.730   2.538
  162    HB3  GLN  26           1HB      GLN  26   0.020   6.119   2.216
  163    HG2  GLN  26           2HG      GLN  26  -0.117   7.163   5.023
  164    HG3  GLN  26           1HG      GLN  26  -1.552   6.519   4.252
  165   HE21  GLN  26          1HE2      GLN  26  -0.138   4.414   2.788
  166   HE22  GLN  26          2HE2      GLN  26   0.359   3.266   3.953
  167    H    CYS  27           H        CYS  27   2.433   5.402   1.801
  168    HA   CYS  27           HA       CYS  27   3.356   4.053   4.078
  169    HB2  CYS  27           2HB      CYS  27   4.104   3.630   1.185
  170    HB3  CYS  27           1HB      CYS  27   4.475   2.513   2.496
  171    H    LYS  28           H        LYS  28   5.098   6.132   1.800
  172    HA   LYS  28           HA       LYS  28   7.695   5.680   2.931
  173    HB2  LYS  28           2HB      LYS  28   6.672   8.012   1.312
  174    HB3  LYS  28           1HB      LYS  28   8.357   7.656   1.647
  175    HG2  LYS  28           2HG      LYS  28   8.282   5.691   0.321
  176    HG3  LYS  28           1HG      LYS  28   6.531   5.817   0.142
  177    HD2  LYS  28           2HD      LYS  28   6.872   7.999  -0.991
  178    HD3  LYS  28           1HD      LYS  28   8.611   7.736  -0.911
  179    HE2  LYS  28           2HE      LYS  28   8.373   5.726  -2.274
  180    HE3  LYS  28           1HE      LYS  28   6.628   5.963  -2.326
  181    HZ1  LYS  28           3HZ      LYS  28   8.684   7.763  -3.487
  182    HZ2  LYS  28           1HZ      LYS  28   7.031   8.096  -3.466
  183    HZ3  LYS  28           2HZ      LYS  28   7.612   6.781  -4.329
  184    H    ASP  29           H        ASP  29   5.100   7.903   3.512
  185    HA   ASP  29           HA       ASP  29   6.579   9.717   5.164
  186    HB2  ASP  29           2HB      ASP  29   4.659  10.482   3.896
  187    HB3  ASP  29           1HB      ASP  29   3.617   9.346   4.737
  188    H    ARG  30           H        ARG  30   4.195   7.190   5.749
  189    HA   ARG  30           HA       ARG  30   4.221   7.569   8.563
  190    HB2  ARG  30           2HB      ARG  30   2.929   5.625   6.723
  191    HB3  ARG  30           1HB      ARG  30   3.062   5.194   8.414
  192    HG2  ARG  30           2HG      ARG  30   0.889   6.191   7.827
  193    HG3  ARG  30           1HG      ARG  30   1.747   7.101   9.060
  194    HD2  ARG  30           2HD      ARG  30   2.377   8.775   7.432
  195    HD3  ARG  30           1HD      ARG  30   1.684   7.815   6.125
  196    HE   ARG  30           HE       ARG  30  -0.428   8.073   7.595
  197   HH11  ARG  30          1HH1      ARG  30   1.975  10.661   7.069
  198   HH12  ARG  30          2HH1      ARG  30   0.830  11.902   7.130
  199   HH21  ARG  30          1HH2      ARG  30  -1.995   9.840   7.644
  200   HH22  ARG  30          2HH2      ARG  30  -1.447  11.441   7.444
  201    H    GLU  31           H        GLU  31   5.728   5.152   6.402
  202    HA   GLU  31           HA       GLU  31   7.311   4.391   8.709
  203    HB2  GLU  31           2HB      GLU  31   5.853   2.508   6.858
  204    HB3  GLU  31           1HB      GLU  31   7.106   1.995   7.979
  205    HG2  GLU  31           2HG      GLU  31   5.787   2.751   9.858
  206    HG3  GLU  31           1HG      GLU  31   4.559   3.381   8.771
  207    H    HIS  32           H        HIS  32   8.764   2.408   7.436
  208    HA   HIS  32           HA       HIS  32  10.599   4.149   6.003
  209    HB2  HIS  32           2HB      HIS  32  10.994   1.340   7.065
  210    HB3  HIS  32           1HB      HIS  32  12.252   2.398   6.450
  211    HD1  HIS  32           1HD      HIS  32  13.322   4.030   8.166
  212    HD2  HIS  32           2HD      HIS  32   9.902   2.122   9.589
  213    HE1  HIS  32           1HE      HIS  32  13.200   4.548  10.617
  214    H    PHE  33           H        PHE  33   8.184   3.038   4.641
  215    HA   PHE  33           HA       PHE  33   9.310   1.025   2.873
  216    HB2  PHE  33           2HB      PHE  33   6.530   2.220   2.847
  217    HB3  PHE  33           1HB      PHE  33   7.074   0.855   1.883
  218    HD1  PHE  33           1HD      PHE  33   8.063  -1.145   3.326
  219    HD2  PHE  33           2HD      PHE  33   5.359   1.803   4.756
  220    HE1  PHE  33           1HE      PHE  33   7.333  -2.677   5.130
  221    HE2  PHE  33           2HE      PHE  33   4.643   0.284   6.541
  222    HZ   PHE  33           HZ       PHE  33   5.631  -1.959   6.722
  223    H    ALA  34           H        ALA  34  10.864   2.437   2.074
  224    HA   ALA  34           HA       ALA  34  10.353   4.867   0.771
  225    HB1  ALA  34           1HB      ALA  34  12.597   4.684  -0.123
  226    HB2  ALA  34           2HB      ALA  34  12.642   2.972   0.292
  227    HB3  ALA  34           3HB      ALA  34  12.565   4.187   1.569
  228    H    TYR  35           H        TYR  35   9.786   1.676  -0.296
  229    HA   TYR  35           HA       TYR  35   9.856   2.370  -3.096
  230    HB2  TYR  35           2HB      TYR  35   8.966  -0.198  -1.764
  231    HB3  TYR  35           1HB      TYR  35   9.161   0.044  -3.499
  232    HD1  TYR  35           1HD      TYR  35  11.450   0.577  -4.390
  233    HD2  TYR  35           2HD      TYR  35  10.779  -0.759  -0.438
  234    HE1  TYR  35           1HE      TYR  35  13.838   0.015  -4.207
  235    HE2  TYR  35           2HE      TYR  35  13.172  -1.315  -0.205
  236    HH   TYR  35           HH       TYR  35  15.086  -1.888  -1.733
  237    H    GLY  36           H        GLY  36   7.761   2.932  -0.658
  238    HA2  GLY  36           2HA      GLY  36   5.787   4.086  -0.863
  239    HA3  GLY  36           1HA      GLY  36   5.767   3.690  -2.574
  240    H    GLY  37           H        GLY  37   3.946   2.709  -3.011
  241    HA2  GLY  37           2HA      GLY  37   3.198   0.260  -1.968
  242    HA3  GLY  37           1HA      GLY  37   2.289   1.535  -1.158
  243    H    ALA  38           H        ALA  38   0.817  -0.093  -2.589
  244    HA   ALA  38           HA       ALA  38  -0.009   1.571  -4.822
  245    HB1  ALA  38           1HB      ALA  38  -0.252  -0.377  -6.309
  246    HB2  ALA  38           2HB      ALA  38   0.506  -1.397  -5.085
  247    HB3  ALA  38           3HB      ALA  38   1.433  -0.111  -5.859
  248    H    CYS  39           H        CYS  39  -2.187   0.907  -5.555
  249    HA   CYS  39           HA       CYS  39  -3.797   0.235  -3.246
  250    HB2  CYS  39           2HB      CYS  39  -4.588   1.102  -6.044
  251    HB3  CYS  39           1HB      CYS  39  -5.683   0.923  -4.689
  252    H    HIS  40           H        HIS  40  -4.291  -1.831  -2.918
  253    HA   HIS  40           HA       HIS  40  -4.350  -3.662  -5.216
  254    HB2  HIS  40           2HB      HIS  40  -2.323  -3.966  -3.825
  255    HB3  HIS  40           1HB      HIS  40  -3.320  -4.150  -2.399
  256    HD1  HIS  40           1HD      HIS  40  -1.990  -6.029  -5.349
  257    HD2  HIS  40           2HD      HIS  40  -4.501  -6.669  -2.103
  258    HE1  HIS  40           1HE      HIS  40  -2.257  -8.521  -5.173
  259    H    TYR  41           H        TYR  41  -6.042  -5.116  -5.249
  260    HA   TYR  41           HA       TYR  41  -8.314  -4.347  -3.657
  261    HB2  TYR  41           2HB      TYR  41  -8.485  -4.864  -6.116
  262    HB3  TYR  41           1HB      TYR  41  -8.171  -6.549  -5.720
  263    HD1  TYR  41           1HD      TYR  41  -9.897  -7.889  -4.494
  264    HD2  TYR  41           2HD      TYR  41 -10.613  -3.842  -5.614
  265    HE1  TYR  41           1HE      TYR  41 -12.283  -8.194  -4.088
  266    HE2  TYR  41           2HE      TYR  41 -12.984  -4.138  -5.203
  267    HH   TYR  41           HH       TYR  41 -14.293  -6.803  -3.578
  268    H    GLN  42           H        GLN  42  -9.028  -5.276  -1.981
  269    HA   GLN  42           HA       GLN  42  -8.391  -8.031  -1.371
  270    HB2  GLN  42           2HB      GLN  42  -6.792  -6.575  -0.117
  271    HB3  GLN  42           1HB      GLN  42  -8.145  -5.655   0.516
  272    HG2  GLN  42           2HG      GLN  42  -8.929  -7.602   1.724
  273    HG3  GLN  42           1HG      GLN  42  -7.622  -8.573   1.062
  274   HE21  GLN  42          1HE2      GLN  42  -6.824  -9.023   3.093
  275   HE22  GLN  42          2HE2      GLN  42  -6.004  -7.855   4.059
  276    H    PHE  43           H        PHE  43 -10.084  -8.705   0.306
  277    HA   PHE  43           HA       PHE  43 -12.558  -7.567  -0.448
  278    HB2  PHE  43           2HB      PHE  43 -12.231 -10.004   0.082
  279    HB3  PHE  43           1HB      PHE  43 -12.002  -9.563   1.767
  280    HD1  PHE  43           2HD      PHE  43 -14.410  -9.796  -0.987
  281    HD2  PHE  43           1HD      PHE  43 -13.892  -9.051   3.167
  282    HE1  PHE  43           2HE      PHE  43 -16.836 -10.008  -0.646
  283    HE2  PHE  43           1HE      PHE  43 -16.307  -9.268   3.515
  284    HZ   PHE  43           HZ       PHE  43 -17.789  -9.746   1.600
  285    HA   PRO  44           HA       PRO  44 -14.254  -6.782  -0.046
  286    HB2  PRO  44           2HB      PRO  44 -15.913  -4.745   0.790
  287    HB3  PRO  44           1HB      PRO  44 -15.984  -6.419   1.338
  288    HG2  PRO  44           2HG      PRO  44 -15.310  -4.144   2.920
  289    HG3  PRO  44           1HG      PRO  44 -15.215  -5.844   3.395
  290    HD2  PRO  44           2HD      PRO  44 -13.076  -4.045   2.352
  291    HD3  PRO  44           1HD      PRO  44 -12.964  -5.358   3.549
  292    H    SER  45           H        SER  45 -12.027  -4.273   0.279
  293    HA   SER  45           HA       SER  45 -12.926  -3.054  -2.194
  294    HB2  SER  45           2HB      SER  45 -12.485  -1.466   0.341
  295    HB3  SER  45           1HB      SER  45 -12.672  -0.757  -1.261
  296    HG   SER  45           HG       SER  45 -14.661  -2.304  -1.121
  297    H    VAL  46           H        VAL  46 -11.305  -1.495  -3.037
  298    HA   VAL  46           HA       VAL  46  -8.679  -2.574  -3.034
  299    HB   VAL  46           HB       VAL  46  -9.583   0.167  -3.988
  300   HG11  VAL  46          1HG1      VAL  46  -7.178  -1.480  -4.749
  301   HG12  VAL  46          2HG1      VAL  46  -7.172  -0.081  -3.685
  302   HG13  VAL  46          3HG1      VAL  46  -7.603   0.112  -5.391
  303   HG21  VAL  46          3HG2      VAL  46  -9.258  -2.359  -5.565
  304   HG22  VAL  46          1HG2      VAL  46  -9.789  -0.803  -6.188
  305   HG23  VAL  46          2HG2      VAL  46 -10.822  -1.700  -5.061
  306    H    LYS  47           H        LYS  47  -7.162  -2.293  -1.547
  307    HA   LYS  47           HA       LYS  47  -7.371   0.046   0.215
  308    HB2  LYS  47           2HB      LYS  47  -8.045  -2.114   1.279
  309    HB3  LYS  47           1HB      LYS  47  -6.453  -2.754   0.938
  310    HG2  LYS  47           2HG      LYS  47  -5.461  -1.104   2.431
  311    HG3  LYS  47           1HG      LYS  47  -7.059  -0.421   2.744
  312    HD2  LYS  47           2HD      LYS  47  -7.790  -2.572   3.672
  313    HD3  LYS  47           1HD      LYS  47  -6.185  -3.241   3.370
  314    HE2  LYS  47           2HE      LYS  47  -5.209  -1.593   4.877
  315    HE3  LYS  47           1HE      LYS  47  -6.803  -0.901   5.162
  316    HZ1  LYS  47           3HZ      LYS  47  -5.990  -3.676   5.871
  317    HZ2  LYS  47           1HZ      LYS  47  -7.492  -2.975   6.162
  318    HZ3  LYS  47           2HZ      LYS  47  -6.118  -2.386   6.928
  319    H    CYS  48           H        CYS  48  -5.223   0.634   1.172
  320    HA   CYS  48           HA       CYS  48  -3.219   0.701  -0.901
  321    HB2  CYS  48           2HB      CYS  48  -3.740   2.738   0.314
  322    HB3  CYS  48           1HB      CYS  48  -3.403   1.956   1.846
  323    H    PHE  49           H        PHE  49  -1.530  -0.620  -1.005
  324    HA   PHE  49           HA       PHE  49  -0.704  -2.060   1.407
  325    HB2  PHE  49           2HB      PHE  49  -0.834  -3.053  -1.454
  326    HB3  PHE  49           1HB      PHE  49   0.149  -3.812  -0.215
  327    HD1  PHE  49           1HD      PHE  49  -3.412  -2.706  -0.646
  328    HD2  PHE  49           2HD      PHE  49  -0.705  -5.632   0.822
  329    HE1  PHE  49           1HE      PHE  49  -5.308  -4.117   0.044
  330    HE2  PHE  49           2HE      PHE  49  -2.589  -7.030   1.522
  331    HZ   PHE  49           HZ       PHE  49  -4.895  -6.275   1.137
  332    H    CYS  50           H        CYS  50   1.280  -1.721   1.970
  333    HA   CYS  50           HA       CYS  50   2.896   0.137   0.443
  334    HB2  CYS  50           2HB      CYS  50   3.370  -1.145   3.135
  335    HB3  CYS  50           1HB      CYS  50   4.305   0.175   2.442
  336    H    LYS  51           H        LYS  51   4.905  -0.320  -0.419
  337    HA   LYS  51           HA       LYS  51   5.427  -3.174  -0.788
  338    HB2  LYS  51           2HB      LYS  51   6.573  -0.832  -2.324
  339    HB3  LYS  51           1HB      LYS  51   6.894  -2.511  -2.613
  340    HG2  LYS  51           2HG      LYS  51   4.561  -2.961  -3.160
  341    HG3  LYS  51           1HG      LYS  51   4.166  -1.265  -2.896
  342    HD2  LYS  51           2HD      LYS  51   5.651  -0.618  -4.712
  343    HD3  LYS  51           1HD      LYS  51   6.128  -2.298  -4.942
  344    HE2  LYS  51           2HE      LYS  51   3.332  -1.206  -5.298
  345    HE3  LYS  51           1HE      LYS  51   4.460  -1.559  -6.603
  346    HZ1  LYS  51           3HZ      LYS  51   3.189  -3.528  -4.751
  347    HZ2  LYS  51           1HZ      LYS  51   4.433  -3.920  -5.832
  348    HZ3  LYS  51           2HZ      LYS  51   2.961  -3.368  -6.391
  349    H    ARG  52           H        ARG  52   6.677  -3.947   0.677
  350    HA   ARG  52           HA       ARG  52   9.045  -2.407   1.467
  351    HB2  ARG  52           2HB      ARG  52   9.432  -4.105   3.197
  352    HB3  ARG  52           1HB      ARG  52   7.815  -3.431   3.340
  353    HG2  ARG  52           2HG      ARG  52   6.794  -5.383   2.657
  354    HG3  ARG  52           1HG      ARG  52   8.231  -5.951   1.807
  355    HD2  ARG  52           2HD      ARG  52   8.069  -5.674   4.801
  356    HD3  ARG  52           1HD      ARG  52   7.693  -7.164   3.932
  357    HE   ARG  52           HE       ARG  52  10.188  -6.447   3.038
  358   HH11  ARG  52          1HH1      ARG  52   8.876  -7.104   6.275
  359   HH12  ARG  52          2HH1      ARG  52  10.326  -7.721   6.883
  360   HH21  ARG  52          1HH2      ARG  52  12.163  -7.359   3.859
  361   HH22  ARG  52          2HH2      ARG  52  12.251  -7.900   5.457
  362    H    GLN  53           H        GLN  53  11.100  -3.592   1.467
  363    HA   GLN  53           HA       GLN  53  11.229  -5.143  -0.971
  364    HB2  GLN  53           2HB      GLN  53  12.832  -3.275  -0.407
  365    HB3  GLN  53           1HB      GLN  53  13.490  -4.327   0.842
  366    HG2  GLN  53           2HG      GLN  53  13.898  -6.020  -1.033
  367    HG3  GLN  53           1HG      GLN  53  13.458  -4.694  -2.097
  368   HE21  GLN  53          1HE2      GLN  53  16.019  -6.143  -1.668
  369   HE22  GLN  53          2HE2      GLN  53  17.173  -4.884  -1.431
  370    H    CYS  54           H        CYS  54  11.642  -7.288  -0.967
  371    HA   CYS  54           HA       CYS  54  12.145  -8.466   1.637
  372    HB2  CYS  54           2HB      CYS  54  10.662  -9.615  -0.742
  373    HB3  CYS  54           1HB      CYS  54  11.085 -10.539   0.700
  Start of MODEL    2
    1    H1   ASP   1           1HT      ASP   1  10.485 -10.354 -12.263
    2    H2   ASP   1           2HT      ASP   1  10.771  -8.708 -12.558
    3    H3   ASP   1           3HT      ASP   1  10.494  -9.225 -11.002
    4    HA   ASP   1           HA       ASP   1  12.535 -10.481 -11.011
    5    HB2  ASP   1           2HB      ASP   1  14.111 -10.214 -12.860
    6    HB3  ASP   1           1HB      ASP   1  12.598 -10.849 -13.489
    7    H    GLY   2           H        GLY   2  14.782  -9.177 -11.062
    8    HA2  GLY   2           2HA      GLY   2  15.919  -7.253 -10.485
    9    HA3  GLY   2           1HA      GLY   2  14.417  -6.338 -10.643
   10    H    VAL   3           H        VAL   3  14.166  -5.357  -8.709
   11    HA   VAL   3           HA       VAL   3  14.626  -6.910  -6.352
   12    HB   VAL   3           HB       VAL   3  14.046  -4.906  -5.093
   13   HG11  VAL   3          1HG1      VAL   3  16.331  -5.105  -5.806
   14   HG12  VAL   3          2HG1      VAL   3  15.849  -3.407  -5.845
   15   HG13  VAL   3          3HG1      VAL   3  15.953  -4.331  -7.344
   16   HG21  VAL   3          3HG2      VAL   3  12.296  -3.965  -6.485
   17   HG22  VAL   3          1HG2      VAL   3  13.461  -3.614  -7.760
   18   HG23  VAL   3          2HG2      VAL   3  13.553  -2.758  -6.222
   19    H    LYS   4           H        LYS   4  13.100  -7.812  -5.150
   20    HA   LYS   4           HA       LYS   4  10.397  -7.769  -6.217
   21    HB2  LYS   4           2HB      LYS   4  11.821  -9.682  -4.378
   22    HB3  LYS   4           1HB      LYS   4  10.071  -9.651  -4.455
   23    HG2  LYS   4           2HG      LYS   4  10.903 -11.415  -5.860
   24    HG3  LYS   4           1HG      LYS   4  10.179 -10.165  -6.861
   25    HD2  LYS   4           2HD      LYS   4  12.204 -10.925  -7.922
   26    HD3  LYS   4           1HD      LYS   4  12.481  -9.302  -7.302
   27    HE2  LYS   4           2HE      LYS   4  13.636 -10.202  -5.376
   28    HE3  LYS   4           1HE      LYS   4  13.293 -11.845  -5.908
   29    HZ1  LYS   4           3HZ      LYS   4  14.947  -9.866  -7.374
   30    HZ2  LYS   4           1HZ      LYS   4  14.608 -11.440  -7.876
   31    HZ3  LYS   4           2HZ      LYS   4  15.515 -11.203  -6.492
   32    H    LEU   5           H        LEU   5   8.687  -7.141  -5.029
   33    HA   LEU   5           HA       LEU   5   9.404  -5.781  -2.546
   34    HB2  LEU   5           2HB      LEU   5   7.236  -4.922  -4.470
   35    HB3  LEU   5           1HB      LEU   5   7.797  -4.087  -3.028
   36    HG   LEU   5           HG       LEU   5   9.451  -4.528  -5.493
   37   HD11  LEU   5          1HD1      LEU   5   9.161  -2.121  -5.893
   38   HD12  LEU   5          2HD1      LEU   5   8.024  -2.047  -4.549
   39   HD13  LEU   5          3HD1      LEU   5   7.642  -3.006  -5.984
   40   HD21  LEU   5          3HD2      LEU   5  10.941  -2.825  -4.471
   41   HD22  LEU   5          1HD2      LEU   5  10.834  -4.336  -3.569
   42   HD23  LEU   5          2HD2      LEU   5   9.959  -2.908  -3.007
   43    H    CYS   6           H        CYS   6   8.112  -6.043  -0.914
   44    HA   CYS   6           HA       CYS   6   5.974  -8.031  -1.185
   45    HB2  CYS   6           2HB      CYS   6   7.359  -7.085   1.341
   46    HB3  CYS   6           1HB      CYS   6   6.196  -8.398   1.220
   47    H    ASP   7           H        ASP   7   3.995  -7.296  -1.109
   48    HA   ASP   7           HA       ASP   7   3.542  -4.497  -0.453
   49    HB2  ASP   7           2HB      ASP   7   1.656  -6.548  -1.620
   50    HB3  ASP   7           1HB      ASP   7   1.356  -4.824  -1.511
   51    H    VAL   8           H        VAL   8   3.218  -4.205   1.630
   52    HA   VAL   8           HA       VAL   8   1.685  -6.229   3.075
   53    HB   VAL   8           HB       VAL   8   2.567  -5.302   5.172
   54   HG11  VAL   8          1HG1      VAL   8   4.704  -5.843   3.129
   55   HG12  VAL   8          2HG1      VAL   8   3.862  -7.041   4.120
   56   HG13  VAL   8          3HG1      VAL   8   4.942  -5.860   4.871
   57   HG21  VAL   8          3HG2      VAL   8   4.298  -3.561   5.180
   58   HG22  VAL   8          1HG2      VAL   8   2.774  -2.963   4.518
   59   HG23  VAL   8          2HG2      VAL   8   4.107  -3.376   3.434
   60    HA   PRO   9           HA       PRO   9  -1.827  -3.624   3.005
   61    HB2  PRO   9           2HB      PRO   9  -3.113  -4.578   5.250
   62    HB3  PRO   9           1HB      PRO   9  -3.164  -5.357   3.669
   63    HG2  PRO   9           2HG      PRO   9  -1.510  -6.027   6.057
   64    HG3  PRO   9           1HG      PRO   9  -2.257  -7.109   4.869
   65    HD2  PRO   9           2HD      PRO   9   0.389  -6.496   4.866
   66    HD3  PRO   9           1HD      PRO   9  -0.500  -6.876   3.384
   67    H    SER  10           H        SER  10  -1.753  -1.536   3.531
   68    HA   SER  10           HA       SER  10  -0.531  -0.678   5.966
   69    HB2  SER  10           2HB      SER  10  -0.322   0.584   3.803
   70    HB3  SER  10           1HB      SER  10  -2.048   0.941   3.904
   71    HG   SER  10           HG       SER  10  -1.164   2.648   4.833
   72    H    GLY  11           H        GLY  11  -1.570  -0.664   7.820
   73    HA2  GLY  11           2HA      GLY  11  -4.375  -1.077   8.030
   74    HA3  GLY  11           1HA      GLY  11  -3.252  -0.773   9.350
   75    H    THR  12           H        THR  12  -2.332   1.747   8.006
   76    HA   THR  12           HA       THR  12  -4.213   3.455   9.240
   77    HB   THR  12           HB       THR  12  -2.553   5.135   7.932
   78    HG1  THR  12           1HG      THR  12  -0.649   3.256   8.552
   79   HG21  THR  12          3HG2      THR  12  -2.896   5.066  10.357
   80   HG22  THR  12          1HG2      THR  12  -1.178   5.135   9.969
   81   HG23  THR  12          2HG2      THR  12  -1.909   3.606  10.463
   82    H    TRP  13           H        TRP  13  -4.150   2.057   6.210
   83    HA   TRP  13           HA       TRP  13  -5.682   4.262   5.072
   84    HB2  TRP  13           2HB      TRP  13  -3.848   3.150   3.706
   85    HB3  TRP  13           1HB      TRP  13  -4.872   1.713   3.665
   86    HD1  TRP  13           HD       TRP  13  -7.261   1.983   2.356
   87    HE1  TRP  13           1HE      TRP  13  -7.939   3.548   0.412
   88    HE3  TRP  13           3HE      TRP  13  -3.421   5.318   2.626
   89    HZ2  TRP  13           2HZ      TRP  13  -6.946   5.882  -0.839
   90    HZ3  TRP  13           3HZ      TRP  13  -3.341   7.173   1.022
   91    HH2  TRP  13           HH       TRP  13  -5.083   7.439  -0.683
   92    H    SER  14           H        SER  14  -7.794   4.156   5.117
   93    HA   SER  14           HA       SER  14  -9.092   1.556   5.396
   94    HB2  SER  14           2HB      SER  14  -9.142   2.844   7.534
   95    HB3  SER  14           1HB      SER  14  -9.895   4.188   6.684
   96    HG   SER  14           HG       SER  14 -11.120   2.336   7.899
   97    H    GLY  15           H        GLY  15 -10.875   1.305   4.058
   98    HA2  GLY  15           2HA      GLY  15 -12.566   1.997   2.625
   99    HA3  GLY  15           1HA      GLY  15 -11.842   3.599   2.560
  100    H    HIS  16           H        HIS  16 -12.265   3.308   0.262
  101    HA   HIS  16           HA       HIS  16 -10.759   1.457  -1.297
  102    HB2  HIS  16           2HB      HIS  16 -12.872   2.368  -2.135
  103    HB3  HIS  16           1HB      HIS  16 -12.243   4.002  -2.048
  104    HD1  HIS  16           1HD      HIS  16 -12.103   0.887  -4.197
  105    HD2  HIS  16           2HD      HIS  16 -10.693   4.795  -4.206
  106    HE1  HIS  16           1HE      HIS  16 -11.194   1.298  -6.508
  107    H    CYS  17           H        CYS  17  -8.909   1.795  -2.470
  108    HA   CYS  17           HA       CYS  17  -7.325   4.171  -1.805
  109    HB2  CYS  17           2HB      CYS  17  -6.421   1.895  -1.164
  110    HB3  CYS  17           1HB      CYS  17  -6.371   1.495  -2.869
  111    H    GLY  18           H        GLY  18  -7.873   5.589  -3.408
  112    HA2  GLY  18           2HA      GLY  18  -7.858   4.556  -6.151
  113    HA3  GLY  18           1HA      GLY  18  -8.613   6.061  -5.645
  114    H    SER  19           H        SER  19  -6.610   7.182  -4.165
  115    HA   SER  19           HA       SER  19  -4.861   8.039  -6.260
  116    HB2  SER  19           2HB      SER  19  -5.038   8.898  -3.378
  117    HB3  SER  19           1HB      SER  19  -4.129   9.713  -4.648
  118    HG   SER  19           HG       SER  19  -6.717   9.323  -5.357
  119    H    SER  20           H        SER  20  -3.293   6.650  -6.669
  120    HA   SER  20           HA       SER  20  -2.100   4.894  -4.834
  121    HB2  SER  20           2HB      SER  20  -2.226   4.619  -7.342
  122    HB3  SER  20           1HB      SER  20  -0.965   5.837  -7.480
  123    HG   SER  20           HG       SER  20   0.485   4.453  -6.585
  124    H    SER  21           H        SER  21  -1.357   8.192  -5.839
  125    HA   SER  21           HA       SER  21   1.263   8.214  -4.779
  126    HB2  SER  21           2HB      SER  21  -0.567  10.528  -5.431
  127    HB3  SER  21           1HB      SER  21   1.192  10.588  -5.274
  128    HG   SER  21           HG       SER  21   0.540  10.434  -7.433
  129    H    LYS  22           H        LYS  22  -1.906   8.769  -3.412
  130    HA   LYS  22           HA       LYS  22  -0.915  10.025  -1.014
  131    HB2  LYS  22           2HB      LYS  22  -3.568   8.667  -1.543
  132    HB3  LYS  22           1HB      LYS  22  -3.173   9.484  -0.043
  133    HG2  LYS  22           2HG      LYS  22  -2.909  11.593  -1.358
  134    HG3  LYS  22           1HG      LYS  22  -3.498  10.709  -2.771
  135    HD2  LYS  22           2HD      LYS  22  -5.575  10.181  -1.561
  136    HD3  LYS  22           1HD      LYS  22  -4.988  11.092  -0.172
  137    HE2  LYS  22           2HE      LYS  22  -6.524  12.472  -1.407
  138    HE3  LYS  22           1HE      LYS  22  -4.899  13.119  -1.602
  139    HZ1  LYS  22           3HZ      LYS  22  -4.792  12.149  -3.811
  140    HZ2  LYS  22           1HZ      LYS  22  -6.188  13.064  -3.676
  141    HZ3  LYS  22           2HZ      LYS  22  -6.285  11.401  -3.606
  142    H    CYS  23           H        CYS  23  -1.659   6.837  -2.122
  143    HA   CYS  23           HA       CYS  23  -1.335   5.425   0.281
  144    HB2  CYS  23           2HB      CYS  23  -2.442   4.440  -1.647
  145    HB3  CYS  23           1HB      CYS  23  -0.983   4.601  -2.610
  146    H    SER  24           H        SER  24   0.987   6.150  -2.391
  147    HA   SER  24           HA       SER  24   3.130   4.913  -1.131
  148    HB2  SER  24           2HB      SER  24   4.486   6.380  -2.725
  149    HB3  SER  24           1HB      SER  24   3.325   5.267  -3.452
  150    HG   SER  24           HG       SER  24   3.432   7.609  -4.109
  151    H    GLN  25           H        GLN  25   1.973   8.246  -1.039
  152    HA   GLN  25           HA       GLN  25   4.037   9.308   0.522
  153    HB2  GLN  25           2HB      GLN  25   2.275  10.676  -0.580
  154    HB3  GLN  25           1HB      GLN  25   1.115  10.081   0.600
  155    HG2  GLN  25           2HG      GLN  25   2.429  11.105   2.396
  156    HG3  GLN  25           1HG      GLN  25   3.559  11.729   1.198
  157   HE21  GLN  25          1HE2      GLN  25   3.159  13.825   1.777
  158   HE22  GLN  25          2HE2      GLN  25   1.707  14.649   1.382
  159    H    GLN  26           H        GLN  26   1.012   7.715   1.451
  160    HA   GLN  26           HA       GLN  26   1.203   8.025   4.218
  161    HB2  GLN  26           2HB      GLN  26  -0.873   7.292   3.142
  162    HB3  GLN  26           1HB      GLN  26  -0.099   5.802   2.634
  163    HG2  GLN  26           2HG      GLN  26   0.164   5.140   4.978
  164    HG3  GLN  26           1HG      GLN  26  -0.629   6.629   5.484
  165   HE21  GLN  26          1HE2      GLN  26  -2.839   6.825   5.218
  166   HE22  GLN  26          2HE2      GLN  26  -3.849   5.480   4.850
  167    H    CYS  27           H        CYS  27   2.182   5.273   2.202
  168    HA   CYS  27           HA       CYS  27   3.275   3.879   4.372
  169    HB2  CYS  27           2HB      CYS  27   3.733   3.566   1.425
  170    HB3  CYS  27           1HB      CYS  27   4.365   2.459   2.642
  171    H    LYS  28           H        LYS  28   4.769   6.241   2.226
  172    HA   LYS  28           HA       LYS  28   7.405   5.739   3.185
  173    HB2  LYS  28           2HB      LYS  28   6.205   8.160   1.828
  174    HB3  LYS  28           1HB      LYS  28   7.897   8.059   2.289
  175    HG2  LYS  28           2HG      LYS  28   8.233   6.180   0.794
  176    HG3  LYS  28           1HG      LYS  28   6.515   6.146   0.422
  177    HD2  LYS  28           2HD      LYS  28   7.764   7.214  -1.378
  178    HD3  LYS  28           1HD      LYS  28   6.691   8.366  -0.594
  179    HE2  LYS  28           2HE      LYS  28   8.840   9.403  -1.052
  180    HE3  LYS  28           1HE      LYS  28   8.606   9.255   0.684
  181    HZ1  LYS  28           3HZ      LYS  28  10.274   7.451  -1.000
  182    HZ2  LYS  28           1HZ      LYS  28  10.098   7.336   0.680
  183    HZ3  LYS  28           2HZ      LYS  28  10.846   8.666  -0.016
  184    H    ASP  29           H        ASP  29   4.752   7.687   4.283
  185    HA   ASP  29           HA       ASP  29   6.309   9.092   6.255
  186    HB2  ASP  29           2HB      ASP  29   4.401  10.227   5.326
  187    HB3  ASP  29           1HB      ASP  29   3.332   8.911   5.796
  188    H    ARG  30           H        ARG  30   3.883   6.530   6.339
  189    HA   ARG  30           HA       ARG  30   4.029   6.216   9.170
  190    HB2  ARG  30           2HB      ARG  30   2.876   4.394   7.062
  191    HB3  ARG  30           1HB      ARG  30   2.730   4.127   8.787
  192    HG2  ARG  30           2HG      ARG  30   1.595   6.474   7.260
  193    HG3  ARG  30           1HG      ARG  30   0.689   5.071   7.817
  194    HD2  ARG  30           2HD      ARG  30   0.253   6.725   9.427
  195    HD3  ARG  30           1HD      ARG  30   1.495   5.711  10.155
  196    HE   ARG  30           HE       ARG  30   2.227   8.198   8.779
  197   HH11  ARG  30          1HH1      ARG  30   2.197   6.318  11.815
  198   HH12  ARG  30          2HH1      ARG  30   3.159   7.469  12.623
  199   HH21  ARG  30          1HH2      ARG  30   3.468   9.643   9.870
  200   HH22  ARG  30          2HH2      ARG  30   3.900   9.432  11.529
  201    H    GLU  31           H        GLU  31   5.384   4.407   6.439
  202    HA   GLU  31           HA       GLU  31   6.847   2.766   8.364
  203    HB2  GLU  31           2HB      GLU  31   6.526   2.331   5.389
  204    HB3  GLU  31           1HB      GLU  31   7.168   1.197   6.558
  205    HG2  GLU  31           2HG      GLU  31   4.309   2.102   6.289
  206    HG3  GLU  31           1HG      GLU  31   4.964   0.520   5.888
  207    H    HIS  32           H        HIS  32   8.947   2.031   6.759
  208    HA   HIS  32           HA       HIS  32  10.356   4.582   6.292
  209    HB2  HIS  32           2HB      HIS  32  11.423   1.906   7.247
  210    HB3  HIS  32           1HB      HIS  32  12.451   3.241   6.758
  211    HD1  HIS  32           1HD      HIS  32  13.250   4.669   8.691
  212    HD2  HIS  32           2HD      HIS  32   9.694   2.668   9.551
  213    HE1  HIS  32           1HE      HIS  32  12.724   5.178  11.093
  214    H    PHE  33           H        PHE  33   8.704   2.998   4.394
  215    HA   PHE  33           HA       PHE  33  10.737   1.661   2.813
  216    HB2  PHE  33           2HB      PHE  33   7.728   1.535   2.550
  217    HB3  PHE  33           1HB      PHE  33   8.874   0.620   1.574
  218    HD1  PHE  33           1HD      PHE  33  10.827  -0.341   3.444
  219    HD2  PHE  33           2HD      PHE  33   6.614   0.038   3.952
  220    HE1  PHE  33           1HE      PHE  33  10.881  -2.103   5.121
  221    HE2  PHE  33           2HE      PHE  33   6.665  -1.728   5.654
  222    HZ   PHE  33           HZ       PHE  33   8.795  -2.801   6.255
  223    H    ALA  34           H        ALA  34  11.636   2.584   1.260
  224    HA   ALA  34           HA       ALA  34  11.041   5.204   0.384
  225    HB1  ALA  34           1HB      ALA  34  12.866   4.885  -1.200
  226    HB2  ALA  34           2HB      ALA  34  12.858   3.151  -0.879
  227    HB3  ALA  34           3HB      ALA  34  13.315   4.280   0.395
  228    H    TYR  35           H        TYR  35  10.280   2.040  -0.835
  229    HA   TYR  35           HA       TYR  35   9.373   2.919  -3.370
  230    HB2  TYR  35           2HB      TYR  35   9.021   0.331  -1.881
  231    HB3  TYR  35           1HB      TYR  35   8.251   0.620  -3.437
  232    HD1  TYR  35           1HD      TYR  35  11.470   0.099  -1.726
  233    HD2  TYR  35           2HD      TYR  35   9.526   0.719  -5.449
  234    HE1  TYR  35           1HE      TYR  35  13.525  -0.563  -2.907
  235    HE2  TYR  35           2HE      TYR  35  11.550   0.059  -6.633
  236    HH   TYR  35           HH       TYR  35  13.870  -0.037  -6.268
  237    H    GLY  36           H        GLY  36   7.987   3.171  -0.298
  238    HA2  GLY  36           2HA      GLY  36   6.032   4.144   0.308
  239    HA3  GLY  36           1HA      GLY  36   5.712   4.461  -1.392
  240    H    GLY  37           H        GLY  37   3.899   3.546  -2.095
  241    HA2  GLY  37           2HA      GLY  37   3.217   0.878  -1.433
  242    HA3  GLY  37           1HA      GLY  37   2.220   2.074  -0.624
  243    H    ALA  38           H        ALA  38   1.209   0.291  -2.476
  244    HA   ALA  38           HA       ALA  38   0.193   2.177  -4.433
  245    HB1  ALA  38           1HB      ALA  38   1.157  -0.595  -5.188
  246    HB2  ALA  38           2HB      ALA  38   1.936   0.921  -5.635
  247    HB3  ALA  38           3HB      ALA  38   0.332   0.540  -6.254
  248    H    CYS  39           H        CYS  39  -1.835   1.313  -5.418
  249    HA   CYS  39           HA       CYS  39  -3.421   0.197  -3.256
  250    HB2  CYS  39           2HB      CYS  39  -4.264   1.345  -5.911
  251    HB3  CYS  39           1HB      CYS  39  -5.323   0.989  -4.557
  252    H    HIS  40           H        HIS  40  -4.187  -1.829  -3.273
  253    HA   HIS  40           HA       HIS  40  -4.408  -3.327  -5.776
  254    HB2  HIS  40           2HB      HIS  40  -2.182  -3.904  -4.865
  255    HB3  HIS  40           1HB      HIS  40  -2.898  -4.271  -3.307
  256    HD1  HIS  40           1HD      HIS  40  -3.355  -6.710  -2.919
  257    HD2  HIS  40           2HD      HIS  40  -3.109  -5.771  -6.961
  258    HE1  HIS  40           1HE      HIS  40  -3.513  -8.888  -4.132
  259    H    TYR  41           H        TYR  41  -5.958  -5.086  -5.593
  260    HA   TYR  41           HA       TYR  41  -8.026  -4.485  -3.661
  261    HB2  TYR  41           2HB      TYR  41  -8.478  -5.024  -6.101
  262    HB3  TYR  41           1HB      TYR  41  -8.055  -6.689  -5.722
  263    HD1  TYR  41           2HD      TYR  41  -9.595  -8.074  -4.272
  264    HD2  TYR  41           1HD      TYR  41 -10.541  -4.055  -5.355
  265    HE1  TYR  41           2HE      TYR  41 -11.882  -8.429  -3.580
  266    HE2  TYR  41           1HE      TYR  41 -12.845  -4.408  -4.650
  267    HH   TYR  41           HH       TYR  41 -13.791  -7.077  -2.813
  268    H    GLN  42           H        GLN  42  -8.655  -5.662  -2.013
  269    HA   GLN  42           HA       GLN  42  -7.817  -8.363  -1.618
  270    HB2  GLN  42           2HB      GLN  42  -5.991  -7.070  -0.597
  271    HB3  GLN  42           1HB      GLN  42  -7.143  -6.101   0.316
  272    HG2  GLN  42           2HG      GLN  42  -7.795  -8.099   1.570
  273    HG3  GLN  42           1HG      GLN  42  -6.654  -9.056   0.632
  274   HE21  GLN  42          1HE2      GLN  42  -7.022  -6.637   3.074
  275   HE22  GLN  42          2HE2      GLN  42  -5.432  -6.724   3.702
  276    H    PHE  43           H        PHE  43  -9.211  -9.140   0.267
  277    HA   PHE  43           HA       PHE  43 -11.787  -8.119  -0.045
  278    HB2  PHE  43           2HB      PHE  43 -11.360 -10.431   0.520
  279    HB3  PHE  43           1HB      PHE  43 -10.646  -9.978   2.061
  280    HD1  PHE  43           2HD      PHE  43 -12.101  -9.204   3.925
  281    HD2  PHE  43           1HD      PHE  43 -13.738 -10.568   0.241
  282    HE1  PHE  43           2HE      PHE  43 -14.293  -9.446   4.992
  283    HE2  PHE  43           1HE      PHE  43 -15.934 -10.812   1.308
  284    HZ   PHE  43           HZ       PHE  43 -16.214 -10.251   3.689
  285    HA   PRO  44           HA       PRO  44 -13.362  -7.207   0.330
  286    HB2  PRO  44           2HB      PRO  44 -15.209  -5.670   1.375
  287    HB3  PRO  44           1HB      PRO  44 -14.694  -7.129   2.229
  288    HG2  PRO  44           2HG      PRO  44 -14.187  -4.293   2.914
  289    HG3  PRO  44           1HG      PRO  44 -14.157  -5.720   3.960
  290    HD2  PRO  44           2HD      PRO  44 -11.933  -4.391   2.605
  291    HD3  PRO  44           1HD      PRO  44 -11.879  -5.669   3.840
  292    H    SER  45           H        SER  45 -11.188  -4.879   0.104
  293    HA   SER  45           HA       SER  45 -12.574  -3.280  -1.819
  294    HB2  SER  45           2HB      SER  45 -13.344  -2.222   0.287
  295    HB3  SER  45           1HB      SER  45 -11.667  -2.018   0.787
  296    HG   SER  45           HG       SER  45 -11.829  -0.193  -0.133
  297    H    VAL  46           H        VAL  46 -11.066  -1.685  -2.758
  298    HA   VAL  46           HA       VAL  46  -8.410  -2.704  -3.100
  299    HB   VAL  46           HB       VAL  46  -9.465   0.047  -3.870
  300   HG11  VAL  46          1HG1      VAL  46  -7.124  -1.523  -4.949
  301   HG12  VAL  46          2HG1      VAL  46  -7.021  -0.157  -3.849
  302   HG13  VAL  46          3HG1      VAL  46  -7.643   0.077  -5.487
  303   HG21  VAL  46          3HG2      VAL  46 -10.804  -1.761  -4.873
  304   HG22  VAL  46          1HG2      VAL  46  -9.325  -2.447  -5.543
  305   HG23  VAL  46          2HG2      VAL  46  -9.883  -0.862  -6.082
  306    H    LYS  47           H        LYS  47  -6.809  -2.416  -1.736
  307    HA   LYS  47           HA       LYS  47  -7.068  -0.268   0.246
  308    HB2  LYS  47           2HB      LYS  47  -7.461  -2.620   1.037
  309    HB3  LYS  47           1HB      LYS  47  -5.806  -2.990   0.595
  310    HG2  LYS  47           2HG      LYS  47  -4.981  -1.441   2.239
  311    HG3  LYS  47           1HG      LYS  47  -6.615  -0.942   2.656
  312    HD2  LYS  47           2HD      LYS  47  -7.064  -3.365   3.216
  313    HD3  LYS  47           1HD      LYS  47  -5.326  -3.628   3.056
  314    HE2  LYS  47           2HE      LYS  47  -5.842  -3.281   5.363
  315    HE3  LYS  47           1HE      LYS  47  -4.957  -1.883   4.768
  316    HZ1  LYS  47           3HZ      LYS  47  -6.982  -0.601   4.684
  317    HZ2  LYS  47           1HZ      LYS  47  -6.890  -1.354   6.183
  318    HZ3  LYS  47           2HZ      LYS  47  -7.923  -1.958   5.002
  319    H    CYS  48           H        CYS  48  -4.903   0.278   1.217
  320    HA   CYS  48           HA       CYS  48  -2.951   0.693  -0.890
  321    HB2  CYS  48           2HB      CYS  48  -3.616   2.617   0.460
  322    HB3  CYS  48           1HB      CYS  48  -3.206   1.754   1.932
  323    H    PHE  49           H        PHE  49  -1.123  -0.458  -0.977
  324    HA   PHE  49           HA       PHE  49  -0.389  -2.023   1.380
  325    HB2  PHE  49           2HB      PHE  49  -0.239  -2.909  -1.510
  326    HB3  PHE  49           1HB      PHE  49   0.493  -3.743  -0.145
  327    HD1  PHE  49           1HD      PHE  49  -2.732  -2.724  -1.612
  328    HD2  PHE  49           2HD      PHE  49  -0.729  -5.193   1.190
  329    HE1  PHE  49           1HE      PHE  49  -4.807  -3.980  -1.243
  330    HE2  PHE  49           2HE      PHE  49  -2.800  -6.452   1.568
  331    HZ   PHE  49           HZ       PHE  49  -4.836  -5.843   0.363
  332    H    CYS  50           H        CYS  50   1.435  -1.472   2.115
  333    HA   CYS  50           HA       CYS  50   3.192   0.332   0.797
  334    HB2  CYS  50           2HB      CYS  50   3.618  -1.273   3.321
  335    HB3  CYS  50           1HB      CYS  50   4.508   0.162   2.825
  336    H    LYS  51           H        LYS  51   4.882  -0.153  -0.386
  337    HA   LYS  51           HA       LYS  51   5.388  -2.977  -0.921
  338    HB2  LYS  51           2HB      LYS  51   6.323  -0.563  -2.482
  339    HB3  LYS  51           1HB      LYS  51   6.333  -2.245  -2.997
  340    HG2  LYS  51           2HG      LYS  51   3.918  -2.299  -3.032
  341    HG3  LYS  51           1HG      LYS  51   3.838  -0.652  -2.425
  342    HD2  LYS  51           2HD      LYS  51   3.464  -0.515  -4.755
  343    HD3  LYS  51           1HD      LYS  51   5.124   0.024  -4.501
  344    HE2  LYS  51           2HE      LYS  51   5.067  -1.432  -6.397
  345    HE3  LYS  51           1HE      LYS  51   5.891  -2.261  -5.078
  346    HZ1  LYS  51           3HZ      LYS  51   4.362  -3.739  -6.179
  347    HZ2  LYS  51           1HZ      LYS  51   3.083  -2.687  -5.938
  348    HZ3  LYS  51           2HZ      LYS  51   3.779  -3.463  -4.626
  349    H    ARG  52           H        ARG  52   6.869  -3.678   0.452
  350    HA   ARG  52           HA       ARG  52   9.184  -1.982   0.998
  351    HB2  ARG  52           2HB      ARG  52   9.751  -3.519   2.776
  352    HB3  ARG  52           1HB      ARG  52   8.106  -2.955   2.952
  353    HG2  ARG  52           2HG      ARG  52   7.264  -5.058   2.129
  354    HG3  ARG  52           1HG      ARG  52   8.915  -5.624   1.842
  355    HD2  ARG  52           2HD      ARG  52   7.738  -4.862   4.509
  356    HD3  ARG  52           1HD      ARG  52   8.024  -6.505   3.939
  357    HE   ARG  52           HE       ARG  52  10.398  -4.938   3.867
  358   HH11  ARG  52          1HH1      ARG  52   8.311  -6.709   6.105
  359   HH12  ARG  52          2HH1      ARG  52   9.550  -7.048   7.212
  360   HH21  ARG  52          1HH2      ARG  52  12.100  -5.357   5.419
  361   HH22  ARG  52          2HH2      ARG  52  11.733  -6.241   6.831
  362    H    GLN  53           H        GLN  53  11.266  -2.707   0.641
  363    HA   GLN  53           HA       GLN  53  11.488  -4.337  -1.703
  364    HB2  GLN  53           2HB      GLN  53  12.759  -2.249  -1.383
  365    HB3  GLN  53           1HB      GLN  53  13.591  -2.988  -0.028
  366    HG2  GLN  53           2HG      GLN  53  14.559  -4.645  -1.530
  367    HG3  GLN  53           1HG      GLN  53  13.738  -3.879  -2.893
  368   HE21  GLN  53          1HE2      GLN  53  15.629  -3.337  -3.910
  369   HE22  GLN  53          2HE2      GLN  53  16.685  -2.103  -3.330
  370    H    CYS  54           H        CYS  54  11.822  -6.449  -1.686
  371    HA   CYS  54           HA       CYS  54  12.965  -7.638   0.709
  372    HB2  CYS  54           2HB      CYS  54  10.881  -8.774  -1.169
  373    HB3  CYS  54           1HB      CYS  54  11.590  -9.632   0.197
  Start of MODEL    3
    1    H1   ASP   1           1HT      ASP   1  18.252  -7.130 -10.368
    2    H2   ASP   1           2HT      ASP   1  18.192  -6.378 -11.855
    3    H3   ASP   1           3HT      ASP   1  19.490  -7.395 -11.481
    4    HA   ASP   1           HA       ASP   1  17.984  -8.497 -12.979
    5    HB2  ASP   1           2HB      ASP   1  19.116  -9.911 -11.324
    6    HB3  ASP   1           1HB      ASP   1  17.831  -9.605 -10.162
    7    H    GLY   2           H        GLY   2  16.255  -8.285  -9.872
    8    HA2  GLY   2           2HA      GLY   2  14.039  -6.999 -10.961
    9    HA3  GLY   2           1HA      GLY   2  13.773  -8.737 -10.962
   10    H    VAL   3           H        VAL   3  13.800  -5.937  -9.150
   11    HA   VAL   3           HA       VAL   3  13.887  -7.211  -6.580
   12    HB   VAL   3           HB       VAL   3  13.008  -4.410  -7.348
   13   HG11  VAL   3          1HG1      VAL   3  13.338  -3.860  -4.991
   14   HG12  VAL   3          2HG1      VAL   3  13.703  -5.555  -4.649
   15   HG13  VAL   3          3HG1      VAL   3  12.093  -5.093  -5.200
   16   HG21  VAL   3          3HG2      VAL   3  15.657  -5.373  -6.265
   17   HG22  VAL   3          1HG2      VAL   3  15.206  -3.693  -6.552
   18   HG23  VAL   3          2HG2      VAL   3  15.353  -4.810  -7.910
   19    H    LYS   4           H        LYS   4  12.169  -8.201  -5.656
   20    HA   LYS   4           HA       LYS   4   9.560  -7.810  -6.889
   21    HB2  LYS   4           2HB      LYS   4  10.551  -9.865  -4.882
   22    HB3  LYS   4           1HB      LYS   4   8.867  -9.685  -5.306
   23    HG2  LYS   4           2HG      LYS   4   9.783 -11.558  -6.506
   24    HG3  LYS   4           1HG      LYS   4   9.412 -10.276  -7.648
   25    HD2  LYS   4           2HD      LYS   4  11.539 -11.332  -8.196
   26    HD3  LYS   4           1HD      LYS   4  11.790  -9.661  -7.707
   27    HE2  LYS   4           2HE      LYS   4  12.463 -10.396  -5.476
   28    HE3  LYS   4           1HE      LYS   4  12.181 -12.075  -5.934
   29    HZ1  LYS   4           3HZ      LYS   4  14.126 -10.267  -7.247
   30    HZ2  LYS   4           1HZ      LYS   4  13.970 -11.920  -7.535
   31    HZ3  LYS   4           2HZ      LYS   4  14.546 -11.359  -6.050
   32    H    LEU   5           H        LEU   5   7.796  -7.121  -5.624
   33    HA   LEU   5           HA       LEU   5   8.652  -5.963  -3.082
   34    HB2  LEU   5           2HB      LEU   5   6.447  -4.832  -4.822
   35    HB3  LEU   5           1HB      LEU   5   7.160  -4.187  -3.337
   36    HG   LEU   5           HG       LEU   5   8.690  -4.484  -5.898
   37   HD11  LEU   5          1HD1      LEU   5   7.385  -2.022  -4.740
   38   HD12  LEU   5          2HD1      LEU   5   6.870  -2.879  -6.193
   39   HD13  LEU   5          3HD1      LEU   5   8.435  -2.064  -6.157
   40   HD21  LEU   5          3HD2      LEU   5  10.266  -2.958  -4.787
   41   HD22  LEU   5          1HD2      LEU   5  10.067  -4.474  -3.910
   42   HD23  LEU   5          2HD2      LEU   5   9.269  -3.011  -3.332
   43    H    CYS   6           H        CYS   6   7.516  -6.403  -1.438
   44    HA   CYS   6           HA       CYS   6   5.290  -8.268  -1.832
   45    HB2  CYS   6           2HB      CYS   6   6.982  -7.898   0.649
   46    HB3  CYS   6           1HB      CYS   6   5.769  -9.143   0.378
   47    H    ASP   7           H        ASP   7   3.343  -7.929  -0.851
   48    HA   ASP   7           HA       ASP   7   2.716  -5.183  -0.282
   49    HB2  ASP   7           2HB      ASP   7   0.963  -7.636  -0.301
   50    HB3  ASP   7           1HB      ASP   7   0.379  -6.013  -0.003
   51    H    VAL   8           H        VAL   8   2.768  -4.321   1.585
   52    HA   VAL   8           HA       VAL   8   2.269  -5.964   3.975
   53    HB   VAL   8           HB       VAL   8   3.764  -3.329   3.811
   54   HG11  VAL   8          1HG1      VAL   8   2.738  -3.763   5.967
   55   HG12  VAL   8          2HG1      VAL   8   4.503  -3.833   6.046
   56   HG13  VAL   8          3HG1      VAL   8   3.561  -5.327   6.044
   57   HG21  VAL   8          3HG2      VAL   8   5.814  -4.607   4.176
   58   HG22  VAL   8          1HG2      VAL   8   5.041  -5.027   2.648
   59   HG23  VAL   8          2HG2      VAL   8   4.894  -6.108   4.034
   60    HA   PRO   9           HA       PRO   9  -1.634  -3.638   3.872
   61    HB2  PRO   9           2HB      PRO   9  -1.466  -4.387   6.763
   62    HB3  PRO   9           1HB      PRO   9  -2.839  -4.513   5.655
   63    HG2  PRO   9           2HG      PRO   9  -1.461  -6.675   6.279
   64    HG3  PRO   9           1HG      PRO   9  -1.992  -6.409   4.610
   65    HD2  PRO   9           2HD      PRO   9   0.729  -6.118   5.802
   66    HD3  PRO   9           1HD      PRO   9   0.254  -6.673   4.182
   67    H    SER  10           H        SER  10  -1.970  -1.507   4.153
   68    HA   SER  10           HA       SER  10   0.001   0.006   5.571
   69    HB2  SER  10           2HB      SER  10  -0.898   0.741   3.374
   70    HB3  SER  10           1HB      SER  10  -2.490   0.909   4.103
   71    HG   SER  10           HG       SER  10  -0.630   2.679   3.953
   72    H    GLY  11           H        GLY  11  -0.179  -0.002   7.726
   73    HA2  GLY  11           2HA      GLY  11  -2.693  -0.191   9.063
   74    HA3  GLY  11           1HA      GLY  11  -1.120   0.012   9.818
   75    H    THR  12           H        THR  12  -2.971   1.913   7.554
   76    HA   THR  12           HA       THR  12  -3.386   4.068   9.411
   77    HB   THR  12           HB       THR  12  -2.479   5.724   7.629
   78    HG1  THR  12           1HG      THR  12  -1.038   3.386   6.874
   79   HG21  THR  12          3HG2      THR  12  -1.440   5.572   9.815
   80   HG22  THR  12          1HG2      THR  12  -0.176   5.681   8.592
   81   HG23  THR  12          2HG2      THR  12  -0.555   4.126   9.332
   82    H    TRP  13           H        TRP  13  -3.349   3.310   5.962
   83    HA   TRP  13           HA       TRP  13  -5.563   4.858   5.220
   84    HB2  TRP  13           2HB      TRP  13  -3.730   3.870   3.746
   85    HB3  TRP  13           1HB      TRP  13  -4.635   2.363   3.824
   86    HD1  TRP  13           HD       TRP  13  -7.297   2.586   2.819
   87    HE1  TRP  13           1HE      TRP  13  -8.082   3.950   0.763
   88    HE3  TRP  13           3HE      TRP  13  -3.325   5.762   2.357
   89    HZ2  TRP  13           2HZ      TRP  13  -7.130   6.047  -0.830
   90    HZ3  TRP  13           3HZ      TRP  13  -3.339   7.404   0.542
   91    HH2  TRP  13           HH       TRP  13  -5.201   7.544  -1.019
   92    H    SER  14           H        SER  14  -7.631   4.526   5.561
   93    HA   SER  14           HA       SER  14  -8.581   1.792   5.965
   94    HB2  SER  14           2HB      SER  14  -9.547   4.285   7.381
   95    HB3  SER  14           1HB      SER  14 -10.129   2.637   7.649
   96    HG   SER  14           HG       SER  14  -7.460   3.526   8.042
   97    H    GLY  15           H        GLY  15 -10.110   1.232   4.557
   98    HA2  GLY  15           2HA      GLY  15 -12.195   1.709   3.463
   99    HA3  GLY  15           1HA      GLY  15 -11.623   3.355   3.206
  100    H    HIS  16           H        HIS  16 -11.975   3.168   1.003
  101    HA   HIS  16           HA       HIS  16 -10.625   1.142  -0.543
  102    HB2  HIS  16           2HB      HIS  16 -12.847   1.797  -1.248
  103    HB3  HIS  16           1HB      HIS  16 -12.391   3.490  -1.280
  104    HD1  HIS  16           1HD      HIS  16 -11.976   0.291  -3.259
  105    HD2  HIS  16           2HD      HIS  16 -11.239   4.363  -3.603
  106    HE1  HIS  16           1HE      HIS  16 -11.288   0.706  -5.674
  107    H    CYS  17           H        CYS  17  -8.845   1.447  -1.770
  108    HA   CYS  17           HA       CYS  17  -7.350   3.922  -1.363
  109    HB2  CYS  17           2HB      CYS  17  -6.328   1.632  -0.951
  110    HB3  CYS  17           1HB      CYS  17  -6.416   1.371  -2.684
  111    H    GLY  18           H        GLY  18  -8.149   5.381  -2.834
  112    HA2  GLY  18           2HA      GLY  18  -8.233   4.438  -5.610
  113    HA3  GLY  18           1HA      GLY  18  -9.212   5.757  -4.994
  114    H    SER  19           H        SER  19  -6.102   5.798  -3.723
  115    HA   SER  19           HA       SER  19  -5.099   7.503  -5.842
  116    HB2  SER  19           2HB      SER  19  -6.110   9.016  -4.189
  117    HB3  SER  19           1HB      SER  19  -5.165   8.262  -2.908
  118    HG   SER  19           HG       SER  19  -4.480  10.168  -4.708
  119    H    SER  20           H        SER  20  -3.466   6.299  -6.475
  120    HA   SER  20           HA       SER  20  -1.973   4.565  -4.801
  121    HB2  SER  20           2HB      SER  20  -2.358   4.307  -7.290
  122    HB3  SER  20           1HB      SER  20  -1.229   5.632  -7.539
  123    HG   SER  20           HG       SER  20  -0.819   3.021  -6.888
  124    H    SER  21           H        SER  21  -1.669   7.859  -5.876
  125    HA   SER  21           HA       SER  21   1.060   8.246  -5.255
  126    HB2  SER  21           2HB      SER  21  -1.143  10.302  -5.430
  127    HB3  SER  21           1HB      SER  21   0.586  10.554  -5.697
  128    HG   SER  21           HG       SER  21   0.397   9.042  -7.453
  129    H    LYS  22           H        LYS  22  -2.002   8.809  -3.507
  130    HA   LYS  22           HA       LYS  22  -0.586   9.912  -1.290
  131    HB2  LYS  22           2HB      LYS  22  -3.481   9.132  -1.571
  132    HB3  LYS  22           1HB      LYS  22  -2.792   9.853  -0.120
  133    HG2  LYS  22           2HG      LYS  22  -2.168  11.839  -1.377
  134    HG3  LYS  22           1HG      LYS  22  -2.801  11.117  -2.856
  135    HD2  LYS  22           2HD      LYS  22  -4.423  12.680  -1.972
  136    HD3  LYS  22           1HD      LYS  22  -5.034  11.034  -1.814
  137    HE2  LYS  22           2HE      LYS  22  -5.505  12.331   0.188
  138    HE3  LYS  22           1HE      LYS  22  -4.395  11.015   0.543
  139    HZ1  LYS  22           3HZ      LYS  22  -2.561  12.609   0.534
  140    HZ2  LYS  22           1HZ      LYS  22  -3.760  13.107   1.602
  141    HZ3  LYS  22           2HZ      LYS  22  -3.610  13.844   0.099
  142    H    CYS  23           H        CYS  23  -1.859   6.765  -2.126
  143    HA   CYS  23           HA       CYS  23  -1.605   5.484   0.335
  144    HB2  CYS  23           2HB      CYS  23  -2.653   4.353  -1.528
  145    HB3  CYS  23           1HB      CYS  23  -1.179   4.454  -2.480
  146    H    SER  24           H        SER  24   0.796   5.904  -2.250
  147    HA   SER  24           HA       SER  24   2.857   4.659  -0.818
  148    HB2  SER  24           2HB      SER  24   4.301   5.804  -2.563
  149    HB3  SER  24           1HB      SER  24   3.069   4.687  -3.154
  150    HG   SER  24           HG       SER  24   1.948   6.301  -3.963
  151    H    GLN  25           H        GLN  25   2.055   8.073  -1.365
  152    HA   GLN  25           HA       GLN  25   4.106   9.327  -0.009
  153    HB2  GLN  25           2HB      GLN  25   2.442  10.533  -1.288
  154    HB3  GLN  25           1HB      GLN  25   1.189  10.056  -0.154
  155    HG2  GLN  25           2HG      GLN  25   2.305  11.354   1.599
  156    HG3  GLN  25           1HG      GLN  25   3.512  11.865   0.421
  157   HE21  GLN  25          1HE2      GLN  25   2.984  13.979   0.657
  158   HE22  GLN  25          2HE2      GLN  25   1.521  14.667   0.044
  159    H    GLN  26           H        GLN  26   0.987   8.284   1.314
  160    HA   GLN  26           HA       GLN  26   1.431   9.101   3.946
  161    HB2  GLN  26           2HB      GLN  26  -0.771   8.584   2.910
  162    HB3  GLN  26           1HB      GLN  26  -0.350   6.882   2.951
  163    HG2  GLN  26           2HG      GLN  26  -0.288   6.937   5.373
  164    HG3  GLN  26           1HG      GLN  26  -0.647   8.667   5.356
  165   HE21  GLN  26          1HE2      GLN  26  -1.920   5.491   4.948
  166   HE22  GLN  26          2HE2      GLN  26  -3.579   5.977   4.825
  167    H    CYS  27           H        CYS  27   2.043   6.030   2.295
  168    HA   CYS  27           HA       CYS  27   2.819   4.748   4.703
  169    HB2  CYS  27           2HB      CYS  27   2.025   3.445   2.763
  170    HB3  CYS  27           1HB      CYS  27   3.466   3.920   1.865
  171    H    LYS  28           H        LYS  28   4.614   6.469   2.192
  172    HA   LYS  28           HA       LYS  28   7.220   5.879   3.175
  173    HB2  LYS  28           2HB      LYS  28   6.195   8.230   1.567
  174    HB3  LYS  28           1HB      LYS  28   7.894   7.944   1.891
  175    HG2  LYS  28           2HG      LYS  28   7.820   5.875   0.636
  176    HG3  LYS  28           1HG      LYS  28   6.079   6.047   0.424
  177    HD2  LYS  28           2HD      LYS  28   7.181   6.709  -1.610
  178    HD3  LYS  28           1HD      LYS  28   6.480   8.133  -0.852
  179    HE2  LYS  28           2HE      LYS  28   8.693   8.631  -1.719
  180    HE3  LYS  28           1HE      LYS  28   8.698   8.733   0.036
  181    HZ1  LYS  28           3HZ      LYS  28  10.617   7.593  -0.964
  182    HZ2  LYS  28           1HZ      LYS  28   9.627   6.346  -1.483
  183    HZ3  LYS  28           2HZ      LYS  28   9.829   6.660   0.181
  184    H    ASP  29           H        ASP  29   4.781   8.138   4.040
  185    HA   ASP  29           HA       ASP  29   6.459   9.781   5.704
  186    HB2  ASP  29           2HB      ASP  29   4.637  10.849   4.592
  187    HB3  ASP  29           1HB      ASP  29   3.492   9.680   5.223
  188    H    ARG  30           H        ARG  30   3.837   7.471   6.308
  189    HA   ARG  30           HA       ARG  30   4.072   7.728   9.185
  190    HB2  ARG  30           2HB      ARG  30   2.418   5.816   7.542
  191    HB3  ARG  30           1HB      ARG  30   2.230   6.139   9.258
  192    HG2  ARG  30           2HG      ARG  30   1.884   8.197   7.099
  193    HG3  ARG  30           1HG      ARG  30   0.551   7.291   7.790
  194    HD2  ARG  30           2HD      ARG  30   1.081   8.229   9.987
  195    HD3  ARG  30           1HD      ARG  30   2.428   9.120   9.271
  196    HE   ARG  30           HE       ARG  30   0.857  10.337   7.966
  197   HH11  ARG  30          1HH1      ARG  30  -0.482   8.594  10.768
  198   HH12  ARG  30          2HH1      ARG  30  -1.873   9.553  10.874
  199   HH21  ARG  30          1HH2      ARG  30  -1.078  11.652   8.134
  200   HH22  ARG  30          2HH2      ARG  30  -2.228  11.318   9.363
  201    H    GLU  31           H        GLU  31   4.757   5.229   6.771
  202    HA   GLU  31           HA       GLU  31   5.868   3.480   8.833
  203    HB2  GLU  31           2HB      GLU  31   5.067   3.029   5.954
  204    HB3  GLU  31           1HB      GLU  31   5.851   1.813   6.944
  205    HG2  GLU  31           2HG      GLU  31   3.166   3.058   7.489
  206    HG3  GLU  31           1HG      GLU  31   3.440   1.470   6.772
  207    H    HIS  32           H        HIS  32   7.684   2.093   7.291
  208    HA   HIS  32           HA       HIS  32   9.403   4.156   6.166
  209    HB2  HIS  32           2HB      HIS  32  10.258   3.571   8.429
  210    HB3  HIS  32           1HB      HIS  32  10.372   1.888   7.937
  211    HD1  HIS  32           1HD      HIS  32  12.568   1.189   6.878
  212    HD2  HIS  32           2HD      HIS  32  12.078   5.314   6.989
  213    HE1  HIS  32           1HE      HIS  32  14.760   2.172   6.093
  214    H    PHE  33           H        PHE  33   8.461   3.499   4.212
  215    HA   PHE  33           HA       PHE  33   9.831   1.194   3.115
  216    HB2  PHE  33           2HB      PHE  33   6.915   1.869   2.623
  217    HB3  PHE  33           1HB      PHE  33   7.825   0.698   1.682
  218    HD1  PHE  33           2HD      PHE  33   8.690  -1.361   2.829
  219    HD2  PHE  33           1HD      PHE  33   5.952   1.295   4.679
  220    HE1  PHE  33           2HE      PHE  33   8.103  -3.109   4.468
  221    HE2  PHE  33           1HE      PHE  33   5.363  -0.438   6.319
  222    HZ   PHE  33           HZ       PHE  33   6.435  -2.644   6.210
  223    H    ALA  34           H        ALA  34  11.112   1.864   1.635
  224    HA   ALA  34           HA       ALA  34  11.215   4.472   0.625
  225    HB1  ALA  34           1HB      ALA  34  13.161   3.002   0.784
  226    HB2  ALA  34           2HB      ALA  34  12.964   3.646  -0.845
  227    HB3  ALA  34           3HB      ALA  34  12.493   1.982  -0.492
  228    H    TYR  35           H        TYR  35   9.866   1.539  -0.677
  229    HA   TYR  35           HA       TYR  35   9.246   2.690  -3.232
  230    HB2  TYR  35           2HB      TYR  35   8.488   0.073  -1.942
  231    HB3  TYR  35           1HB      TYR  35   7.951   0.538  -3.549
  232    HD1  TYR  35           2HD      TYR  35   9.496   0.610  -5.391
  233    HD2  TYR  35           1HD      TYR  35  10.823  -0.560  -1.529
  234    HE1  TYR  35           2HE      TYR  35  11.543  -0.314  -6.381
  235    HE2  TYR  35           1HE      TYR  35  12.878  -1.482  -2.525
  236    HH   TYR  35           HH       TYR  35  13.889  -0.840  -5.635
  237    H    GLY  36           H        GLY  36   7.857   2.897  -0.191
  238    HA2  GLY  36           2HA      GLY  36   5.943   3.880   0.512
  239    HA3  GLY  36           1HA      GLY  36   5.578   4.265  -1.166
  240    H    GLY  37           H        GLY  37   3.998   3.176  -2.142
  241    HA2  GLY  37           2HA      GLY  37   3.239   0.571  -1.493
  242    HA3  GLY  37           1HA      GLY  37   2.205   1.730  -0.665
  243    H    ALA  38           H        ALA  38   0.846   0.309  -2.262
  244    HA   ALA  38           HA       ALA  38   0.063   2.120  -4.349
  245    HB1  ALA  38           1HB      ALA  38   0.850  -0.724  -4.996
  246    HB2  ALA  38           2HB      ALA  38   1.716   0.723  -5.505
  247    HB3  ALA  38           3HB      ALA  38   0.091   0.411  -6.112
  248    H    CYS  39           H        CYS  39  -2.004   1.310  -5.316
  249    HA   CYS  39           HA       CYS  39  -3.639   0.209  -3.186
  250    HB2  CYS  39           2HB      CYS  39  -4.387   1.437  -5.845
  251    HB3  CYS  39           1HB      CYS  39  -5.507   1.023  -4.562
  252    H    HIS  40           H        HIS  40  -4.174  -1.910  -3.267
  253    HA   HIS  40           HA       HIS  40  -4.434  -3.190  -5.886
  254    HB2  HIS  40           2HB      HIS  40  -2.121  -3.607  -4.852
  255    HB3  HIS  40           1HB      HIS  40  -2.954  -4.513  -3.599
  256    HD1  HIS  40           1HD      HIS  40  -3.348  -6.957  -4.099
  257    HD2  HIS  40           2HD      HIS  40  -2.477  -4.731  -7.496
  258    HE1  HIS  40           1HE      HIS  40  -3.112  -8.623  -5.986
  259    H    TYR  41           H        TYR  41  -5.902  -4.978  -5.843
  260    HA   TYR  41           HA       TYR  41  -7.941  -4.694  -3.804
  261    HB2  TYR  41           2HB      TYR  41  -8.453  -4.991  -6.267
  262    HB3  TYR  41           1HB      TYR  41  -7.908  -6.655  -6.098
  263    HD1  TYR  41           1HD      TYR  41  -9.225  -8.244  -4.630
  264    HD2  TYR  41           2HD      TYR  41 -10.582  -4.303  -5.467
  265    HE1  TYR  41           1HE      TYR  41 -11.447  -8.858  -3.866
  266    HE2  TYR  41           2HE      TYR  41 -12.816  -4.907  -4.693
  267    HH   TYR  41           HH       TYR  41 -14.169  -6.900  -4.402
  268    H    GLN  42           H        GLN  42  -8.340  -5.892  -2.199
  269    HA   GLN  42           HA       GLN  42  -7.330  -8.612  -2.122
  270    HB2  GLN  42           2HB      GLN  42  -5.658  -7.414  -0.853
  271    HB3  GLN  42           1HB      GLN  42  -6.905  -6.583   0.065
  272    HG2  GLN  42           2HG      GLN  42  -7.530  -8.552   1.179
  273    HG3  GLN  42           1HG      GLN  42  -6.557  -9.570   0.136
  274   HE21  GLN  42          1HE2      GLN  42  -4.302  -9.510   0.429
  275   HE22  GLN  42          2HE2      GLN  42  -3.561  -8.900   1.867
  276    H    PHE  43           H        PHE  43  -8.793  -6.605   0.123
  277    HA   PHE  43           HA       PHE  43 -11.410  -7.457  -0.275
  278    HB2  PHE  43           2HB      PHE  43 -10.455  -9.570   0.679
  279    HB3  PHE  43           1HB      PHE  43 -10.062  -8.697   2.154
  280    HD1  PHE  43           1HD      PHE  43 -12.880  -9.743  -0.009
  281    HD2  PHE  43           2HD      PHE  43 -11.652  -8.513   3.872
  282    HE1  PHE  43           1HE      PHE  43 -15.104 -10.309   0.868
  283    HE2  PHE  43           2HE      PHE  43 -13.880  -9.076   4.755
  284    HZ   PHE  43           HZ       PHE  43 -15.607  -9.976   3.251
  285    HA   PRO  44           HA       PRO  44 -13.226  -7.001   0.407
  286    HB2  PRO  44           2HB      PRO  44 -15.223  -5.373   0.974
  287    HB3  PRO  44           1HB      PRO  44 -14.551  -6.394   2.253
  288    HG2  PRO  44           2HG      PRO  44 -14.095  -3.483   1.722
  289    HG3  PRO  44           1HG      PRO  44 -14.332  -4.303   3.273
  290    HD2  PRO  44           2HD      PRO  44 -11.867  -3.598   2.159
  291    HD3  PRO  44           1HD      PRO  44 -12.103  -4.788   3.454
  292    H    SER  45           H        SER  45 -11.402  -4.425  -0.204
  293    HA   SER  45           HA       SER  45 -12.541  -3.851  -2.772
  294    HB2  SER  45           2HB      SER  45 -13.740  -2.301  -1.175
  295    HB3  SER  45           1HB      SER  45 -12.179  -1.645  -0.697
  296    HG   SER  45           HG       SER  45 -13.250  -1.628  -3.319
  297    H    VAL  46           H        VAL  46 -10.964  -2.037  -3.693
  298    HA   VAL  46           HA       VAL  46  -8.288  -2.930  -3.575
  299    HB   VAL  46           HB       VAL  46  -9.310  -0.208  -4.462
  300   HG11  VAL  46          1HG1      VAL  46  -6.784  -1.684  -5.161
  301   HG12  VAL  46          2HG1      VAL  46  -6.915  -0.299  -4.082
  302   HG13  VAL  46          3HG1      VAL  46  -7.282  -0.117  -5.804
  303   HG21  VAL  46          3HG2      VAL  46  -8.874  -2.707  -6.096
  304   HG22  VAL  46          1HG2      VAL  46  -9.320  -1.126  -6.734
  305   HG23  VAL  46          2HG2      VAL  46 -10.436  -2.002  -5.685
  306    H    LYS  47           H        LYS  47  -6.785  -2.584  -2.075
  307    HA   LYS  47           HA       LYS  47  -7.340  -0.534  -0.050
  308    HB2  LYS  47           2HB      LYS  47  -7.758  -2.955   0.605
  309    HB3  LYS  47           1HB      LYS  47  -6.042  -3.232   0.393
  310    HG2  LYS  47           2HG      LYS  47  -6.544  -2.963   2.722
  311    HG3  LYS  47           1HG      LYS  47  -5.590  -1.581   2.173
  312    HD2  LYS  47           2HD      LYS  47  -7.629  -0.239   2.001
  313    HD3  LYS  47           1HD      LYS  47  -8.595  -1.627   2.498
  314    HE2  LYS  47           2HE      LYS  47  -6.473  -0.266   4.154
  315    HE3  LYS  47           1HE      LYS  47  -8.208  -0.047   4.334
  316    HZ1  LYS  47           3HZ      LYS  47  -8.404  -2.391   4.916
  317    HZ2  LYS  47           1HZ      LYS  47  -7.323  -1.622   5.949
  318    HZ3  LYS  47           2HZ      LYS  47  -6.755  -2.614   4.722
  319    H    CYS  48           H        CYS  48  -5.270   0.079   1.138
  320    HA   CYS  48           HA       CYS  48  -3.188   0.586  -0.819
  321    HB2  CYS  48           2HB      CYS  48  -4.022   2.481   0.455
  322    HB3  CYS  48           1HB      CYS  48  -3.707   1.647   1.964
  323    H    PHE  49           H        PHE  49  -1.455  -0.640  -0.897
  324    HA   PHE  49           HA       PHE  49  -0.630  -2.042   1.536
  325    HB2  PHE  49           2HB      PHE  49  -0.563  -3.049  -1.309
  326    HB3  PHE  49           1HB      PHE  49   0.269  -3.824   0.032
  327    HD1  PHE  49           1HD      PHE  49  -1.022  -4.847   1.852
  328    HD2  PHE  49           2HD      PHE  49  -2.886  -3.294  -1.634
  329    HE1  PHE  49           1HE      PHE  49  -3.055  -6.111   2.384
  330    HE2  PHE  49           2HE      PHE  49  -4.922  -4.551  -1.113
  331    HZ   PHE  49           HZ       PHE  49  -5.003  -5.964   0.916
  332    H    CYS  50           H        CYS  50   1.331  -1.676   2.130
  333    HA   CYS  50           HA       CYS  50   2.992   0.122   0.674
  334    HB2  CYS  50           2HB      CYS  50   3.413  -1.439   3.221
  335    HB3  CYS  50           1HB      CYS  50   4.546  -0.252   2.584
  336    H    LYS  51           H        LYS  51   4.942  -0.371  -0.251
  337    HA   LYS  51           HA       LYS  51   5.154  -3.176  -1.071
  338    HB2  LYS  51           2HB      LYS  51   6.237  -0.679  -2.359
  339    HB3  LYS  51           1HB      LYS  51   6.481  -2.311  -2.954
  340    HG2  LYS  51           2HG      LYS  51   3.816  -0.912  -2.723
  341    HG3  LYS  51           1HG      LYS  51   4.784  -1.108  -4.184
  342    HD2  LYS  51           2HD      LYS  51   4.552  -3.533  -4.032
  343    HD3  LYS  51           1HD      LYS  51   3.604  -3.356  -2.552
  344    HE2  LYS  51           2HE      LYS  51   1.902  -2.125  -3.755
  345    HE3  LYS  51           1HE      LYS  51   2.848  -2.213  -5.238
  346    HZ1  LYS  51           3HZ      LYS  51   1.712  -4.524  -3.763
  347    HZ2  LYS  51           1HZ      LYS  51   2.589  -4.616  -5.199
  348    HZ3  LYS  51           2HZ      LYS  51   1.076  -3.873  -5.172
  349    H    ARG  52           H        ARG  52   6.557  -4.219   0.069
  350    HA   ARG  52           HA       ARG  52   8.950  -2.785   0.900
  351    HB2  ARG  52           2HB      ARG  52   9.424  -4.519   2.522
  352    HB3  ARG  52           1HB      ARG  52   7.737  -4.061   2.666
  353    HG2  ARG  52           2HG      ARG  52   7.071  -6.038   1.464
  354    HG3  ARG  52           1HG      ARG  52   8.762  -6.502   1.241
  355    HD2  ARG  52           2HD      ARG  52   7.282  -6.247   3.861
  356    HD3  ARG  52           1HD      ARG  52   7.805  -7.743   3.088
  357    HE   ARG  52           HE       ARG  52  10.121  -6.550   3.354
  358   HH11  ARG  52          1HH1      ARG  52   7.508  -6.926   5.711
  359   HH12  ARG  52          2HH1      ARG  52   8.522  -6.777   7.063
  360   HH21  ARG  52          1HH2      ARG  52  11.528  -6.367   5.246
  361   HH22  ARG  52          2HH2      ARG  52  10.822  -6.427   6.791
  362    H    GLN  53           H        GLN  53  11.014  -3.579   0.576
  363    HA   GLN  53           HA       GLN  53  11.343  -4.636  -2.059
  364    HB2  GLN  53           2HB      GLN  53  12.743  -2.821  -1.109
  365    HB3  GLN  53           1HB      GLN  53  13.390  -3.961   0.047
  366    HG2  GLN  53           2HG      GLN  53  14.425  -5.252  -1.692
  367    HG3  GLN  53           1HG      GLN  53  13.658  -4.253  -2.925
  368   HE21  GLN  53          1HE2      GLN  53  16.496  -4.786  -2.433
  369   HE22  GLN  53          2HE2      GLN  53  17.210  -3.237  -2.206
  370    H    CYS  54           H        CYS  54  11.412  -6.753  -2.510
  371    HA   CYS  54           HA       CYS  54  12.471  -8.527  -0.471
  372    HB2  CYS  54           2HB      CYS  54  10.269  -9.051  -2.479
  373    HB3  CYS  54           1HB      CYS  54  10.957 -10.265  -1.403
  Start of MODEL    4
    1    H1   ASP   1           1HT      ASP   1  11.648  -9.034 -12.245
    2    H2   ASP   1           2HT      ASP   1   9.972  -8.881 -11.964
    3    H3   ASP   1           3HT      ASP   1  11.050  -9.267 -10.709
    4    HA   ASP   1           HA       ASP   1  11.233  -6.751 -12.191
    5    HB2  ASP   1           2HB      ASP   1   9.124  -6.966 -10.754
    6    HB3  ASP   1           1HB      ASP   1  10.185  -7.214  -9.375
    7    H    GLY   2           H        GLY   2  12.686  -5.284 -10.842
    8    HA2  GLY   2           2HA      GLY   2  15.149  -6.566 -10.489
    9    HA3  GLY   2           1HA      GLY   2  14.767  -4.920 -10.012
   10    H    VAL   3           H        VAL   3  12.750  -5.462  -8.175
   11    HA   VAL   3           HA       VAL   3  14.236  -6.863  -6.061
   12    HB   VAL   3           HB       VAL   3  14.382  -4.433  -5.724
   13   HG11  VAL   3          1HG1      VAL   3  11.384  -4.436  -5.763
   14   HG12  VAL   3          2HG1      VAL   3  12.460  -3.719  -6.959
   15   HG13  VAL   3          3HG1      VAL   3  12.394  -3.059  -5.322
   16   HG21  VAL   3          3HG2      VAL   3  14.210  -5.794  -3.697
   17   HG22  VAL   3          1HG2      VAL   3  12.454  -5.667  -3.751
   18   HG23  VAL   3          2HG2      VAL   3  13.435  -4.229  -3.463
   19    H    LYS   4           H        LYS   4  12.894  -7.963  -4.478
   20    HA   LYS   4           HA       LYS   4  10.222  -8.538  -5.488
   21    HB2  LYS   4           2HB      LYS   4  11.791  -9.872  -3.252
   22    HB3  LYS   4           1HB      LYS   4  10.144 -10.286  -3.674
   23    HG2  LYS   4           2HG      LYS   4  11.512 -11.956  -4.627
   24    HG3  LYS   4           1HG      LYS   4  11.023 -10.924  -5.962
   25    HD2  LYS   4           2HD      LYS   4  13.179  -9.795  -5.898
   26    HD3  LYS   4           1HD      LYS   4  13.650 -10.768  -4.503
   27    HE2  LYS   4           2HE      LYS   4  13.424 -12.797  -5.877
   28    HE3  LYS   4           1HE      LYS   4  13.035 -11.788  -7.270
   29    HZ1  LYS   4           3HZ      LYS   4  15.218 -10.761  -7.081
   30    HZ2  LYS   4           1HZ      LYS   4  15.376 -12.424  -7.253
   31    HZ3  LYS   4           2HZ      LYS   4  15.587 -11.700  -5.750
   32    H    LEU   5           H        LEU   5   8.688  -7.255  -4.820
   33    HA   LEU   5           HA       LEU   5   9.035  -6.031  -2.193
   34    HB2  LEU   5           2HB      LEU   5   7.115  -5.135  -4.357
   35    HB3  LEU   5           1HB      LEU   5   7.468  -4.423  -2.793
   36    HG   LEU   5           HG       LEU   5   9.523  -4.621  -4.951
   37   HD11  LEU   5          1HD1      LEU   5   9.099  -2.238  -5.365
   38   HD12  LEU   5          2HD1      LEU   5   7.762  -2.274  -4.221
   39   HD13  LEU   5          3HD1      LEU   5   7.667  -3.204  -5.717
   40   HD21  LEU   5          3HD2      LEU   5   9.366  -3.061  -2.382
   41   HD22  LEU   5          1HD2      LEU   5  10.635  -2.892  -3.601
   42   HD23  LEU   5          2HD2      LEU   5  10.431  -4.420  -2.755
   43    H    CYS   6           H        CYS   6   7.666  -6.386  -0.686
   44    HA   CYS   6           HA       CYS   6   5.493  -8.272  -1.241
   45    HB2  CYS   6           2HB      CYS   6   6.725  -7.528   1.408
   46    HB3  CYS   6           1HB      CYS   6   5.552  -8.811   1.119
   47    H    ASP   7           H        ASP   7   3.475  -7.672  -0.995
   48    HA   ASP   7           HA       ASP   7   2.864  -4.918  -0.559
   49    HB2  ASP   7           2HB      ASP   7   1.151  -7.334  -1.167
   50    HB3  ASP   7           1HB      ASP   7   0.529  -5.697  -1.084
   51    H    VAL   8           H        VAL   8   2.967  -4.299   1.485
   52    HA   VAL   8           HA       VAL   8   1.974  -6.011   3.607
   53    HB   VAL   8           HB       VAL   8   3.311  -3.287   3.723
   54   HG11  VAL   8          1HG1      VAL   8   3.670  -3.736   6.090
   55   HG12  VAL   8          2HG1      VAL   8   2.765  -5.246   5.952
   56   HG13  VAL   8          3HG1      VAL   8   1.949  -3.700   5.697
   57   HG21  VAL   8          3HG2      VAL   8   4.462  -6.032   4.184
   58   HG22  VAL   8          1HG2      VAL   8   5.309  -4.508   4.458
   59   HG23  VAL   8          2HG2      VAL   8   4.805  -4.959   2.828
   60    HA   PRO   9           HA       PRO   9  -1.953  -3.898   3.081
   61    HB2  PRO   9           2HB      PRO   9  -3.113  -4.885   5.362
   62    HB3  PRO   9           1HB      PRO   9  -3.035  -5.764   3.828
   63    HG2  PRO   9           2HG      PRO   9  -1.280  -5.996   6.236
   64    HG3  PRO   9           1HG      PRO   9  -1.959  -7.278   5.218
   65    HD2  PRO   9           2HD      PRO   9   0.577  -6.486   4.975
   66    HD3  PRO   9           1HD      PRO   9  -0.378  -6.952   3.550
   67    H    SER  10           H        SER  10  -1.982  -1.795   3.504
   68    HA   SER  10           HA       SER  10  -0.771  -0.695   5.791
   69    HB2  SER  10           2HB      SER  10  -0.823   0.560   3.719
   70    HB3  SER  10           1HB      SER  10  -2.586   0.527   3.707
   71    HG   SER  10           HG       SER  10  -1.301   2.448   4.600
   72    H    GLY  11           H        GLY  11  -1.572  -0.636   7.718
   73    HA2  GLY  11           2HA      GLY  11  -4.412  -1.029   8.170
   74    HA3  GLY  11           1HA      GLY  11  -3.151  -0.988   9.404
   75    H    THR  12           H        THR  12  -2.125   1.452   7.867
   76    HA   THR  12           HA       THR  12  -3.509   3.338   9.477
   77    HB   THR  12           HB       THR  12  -1.804   4.921   8.358
   78    HG1  THR  12           1HG      THR  12  -1.286   3.539   6.552
   79   HG21  THR  12          3HG2      THR  12  -0.792   2.530   9.896
   80   HG22  THR  12          1HG2      THR  12  -1.593   3.929  10.609
   81   HG23  THR  12          2HG2      THR  12  -0.040   4.126   9.808
   82    H    TRP  13           H        TRP  13  -3.484   2.376   6.142
   83    HA   TRP  13           HA       TRP  13  -5.175   4.572   5.334
   84    HB2  TRP  13           2HB      TRP  13  -3.531   3.375   3.797
   85    HB3  TRP  13           1HB      TRP  13  -4.617   1.992   3.858
   86    HD1  TRP  13           HD       TRP  13  -7.187   2.485   2.840
   87    HE1  TRP  13           1HE      TRP  13  -7.876   3.985   0.892
   88    HE3  TRP  13           3HE      TRP  13  -2.980   5.337   2.514
   89    HZ2  TRP  13           2HZ      TRP  13  -6.763   6.094  -0.629
   90    HZ3  TRP  13           3HZ      TRP  13  -2.870   7.066   0.776
   91    HH2  TRP  13           HH       TRP  13  -4.721   7.436  -0.758
   92    H    SER  14           H        SER  14  -7.353   4.500   5.485
   93    HA   SER  14           HA       SER  14  -8.509   2.028   6.510
   94    HB2  SER  14           2HB      SER  14  -9.660   4.815   6.524
   95    HB3  SER  14           1HB      SER  14 -10.254   3.411   7.414
   96    HG   SER  14           HG       SER  14  -7.932   4.932   7.796
   97    H    GLY  15           H        GLY  15  -9.361   0.780   4.968
   98    HA2  GLY  15           2HA      GLY  15 -11.083   0.172   3.564
   99    HA3  GLY  15           1HA      GLY  15 -11.543   1.857   3.444
  100    H    HIS  16           H        HIS  16 -11.758   2.088   1.383
  101    HA   HIS  16           HA       HIS  16 -10.276   0.799  -0.640
  102    HB2  HIS  16           2HB      HIS  16 -12.561   1.398  -1.033
  103    HB3  HIS  16           1HB      HIS  16 -12.248   3.089  -0.694
  104    HD1  HIS  16           1HD      HIS  16 -11.827   0.491  -3.432
  105    HD2  HIS  16           2HD      HIS  16 -11.328   4.567  -2.815
  106    HE1  HIS  16           1HE      HIS  16 -11.434   1.487  -5.697
  107    H    CYS  17           H        CYS  17  -8.616   1.383  -1.785
  108    HA   CYS  17           HA       CYS  17  -7.154   3.821  -1.098
  109    HB2  CYS  17           2HB      CYS  17  -6.017   1.590  -1.079
  110    HB3  CYS  17           1HB      CYS  17  -6.306   1.478  -2.808
  111    H    GLY  18           H        GLY  18  -8.004   5.489  -2.280
  112    HA2  GLY  18           2HA      GLY  18  -8.370   5.000  -5.146
  113    HA3  GLY  18           1HA      GLY  18  -9.188   6.253  -4.226
  114    H    SER  19           H        SER  19  -5.797   5.677  -3.743
  115    HA   SER  19           HA       SER  19  -4.955   7.639  -5.634
  116    HB2  SER  19           2HB      SER  19  -5.742   9.160  -3.901
  117    HB3  SER  19           1HB      SER  19  -4.823   8.288  -2.678
  118    HG   SER  19           HG       SER  19  -4.033  10.317  -4.093
  119    H    SER  20           H        SER  20  -3.343   6.451  -6.431
  120    HA   SER  20           HA       SER  20  -1.754   4.631  -5.044
  121    HB2  SER  20           2HB      SER  20  -0.972   6.208  -7.488
  122    HB3  SER  20           1HB      SER  20  -0.499   4.559  -7.066
  123    HG   SER  20           HG       SER  20  -2.512   3.854  -7.506
  124    H    SER  21           H        SER  21  -1.401   8.052  -5.812
  125    HA   SER  21           HA       SER  21   1.267   8.375  -5.010
  126    HB2  SER  21           2HB      SER  21  -0.889  10.472  -5.155
  127    HB3  SER  21           1HB      SER  21   0.855  10.704  -5.335
  128    HG   SER  21           HG       SER  21   0.599   9.122  -7.153
  129    H    LYS  22           H        LYS  22  -1.835   8.879  -3.264
  130    HA   LYS  22           HA       LYS  22  -0.416   9.790  -0.959
  131    HB2  LYS  22           2HB      LYS  22  -3.305   9.233  -1.481
  132    HB3  LYS  22           1HB      LYS  22  -2.746   9.393   0.176
  133    HG2  LYS  22           2HG      LYS  22  -2.433  11.484  -1.980
  134    HG3  LYS  22           1HG      LYS  22  -3.661  11.497  -0.713
  135    HD2  LYS  22           2HD      LYS  22  -1.787  11.461   0.973
  136    HD3  LYS  22           1HD      LYS  22  -0.663  11.692  -0.360
  137    HE2  LYS  22           2HE      LYS  22  -2.883  13.569   0.434
  138    HE3  LYS  22           1HE      LYS  22  -1.171  13.796   0.770
  139    HZ1  LYS  22           3HZ      LYS  22  -1.827  15.094  -1.109
  140    HZ2  LYS  22           1HZ      LYS  22  -2.468  13.762  -1.897
  141    HZ3  LYS  22           2HZ      LYS  22  -0.802  13.884  -1.655
  142    H    CYS  23           H        CYS  23  -1.622   6.712  -2.033
  143    HA   CYS  23           HA       CYS  23  -1.316   5.291   0.368
  144    HB2  CYS  23           2HB      CYS  23  -2.446   4.301  -1.546
  145    HB3  CYS  23           1HB      CYS  23  -0.987   4.408  -2.513
  146    H    SER  24           H        SER  24   0.959   5.871  -2.287
  147    HA   SER  24           HA       SER  24   3.084   4.564  -1.031
  148    HB2  SER  24           2HB      SER  24   4.447   5.870  -2.775
  149    HB3  SER  24           1HB      SER  24   3.231   4.731  -3.358
  150    HG   SER  24           HG       SER  24   1.979   6.320  -3.982
  151    H    GLN  25           H        GLN  25   2.133   7.965  -1.161
  152    HA   GLN  25           HA       GLN  25   4.351   8.991   0.181
  153    HB2  GLN  25           2HB      GLN  25   2.778  10.451  -0.985
  154    HB3  GLN  25           1HB      GLN  25   1.520  10.043   0.172
  155    HG2  GLN  25           2HG      GLN  25   2.774  11.112   1.950
  156    HG3  GLN  25           1HG      GLN  25   4.085  11.471   0.831
  157   HE21  GLN  25          1HE2      GLN  25   3.843  13.110  -0.633
  158   HE22  GLN  25          2HE2      GLN  25   2.561  14.256  -0.543
  159    H    GLN  26           H        GLN  26   1.304   7.700   1.468
  160    HA   GLN  26           HA       GLN  26   1.599   8.417   4.118
  161    HB2  GLN  26           2HB      GLN  26  -0.452   7.431   3.257
  162    HB3  GLN  26           1HB      GLN  26   0.368   5.905   2.981
  163    HG2  GLN  26           2HG      GLN  26   0.709   5.651   5.390
  164    HG3  GLN  26           1HG      GLN  26  -0.121   7.181   5.666
  165   HE21  GLN  26          1HE2      GLN  26  -2.337   7.255   5.500
  166   HE22  GLN  26          2HE2      GLN  26  -3.307   5.855   5.317
  167    H    CYS  27           H        CYS  27   2.583   5.257   2.737
  168    HA   CYS  27           HA       CYS  27   3.945   4.679   5.153
  169    HB2  CYS  27           2HB      CYS  27   3.745   3.161   2.576
  170    HB3  CYS  27           1HB      CYS  27   4.859   2.651   3.842
  171    H    LYS  28           H        LYS  28   5.008   6.211   2.230
  172    HA   LYS  28           HA       LYS  28   7.799   5.732   2.739
  173    HB2  LYS  28           2HB      LYS  28   6.880   6.255   0.466
  174    HB3  LYS  28           1HB      LYS  28   6.552   7.889   1.027
  175    HG2  LYS  28           2HG      LYS  28   8.999   8.119   1.520
  176    HG3  LYS  28           1HG      LYS  28   9.239   6.567   0.726
  177    HD2  LYS  28           2HD      LYS  28   9.723   8.335  -0.838
  178    HD3  LYS  28           1HD      LYS  28   8.234   7.531  -1.334
  179    HE2  LYS  28           2HE      LYS  28   6.893   9.315  -0.470
  180    HE3  LYS  28           1HE      LYS  28   8.285  10.055   0.319
  181    HZ1  LYS  28           3HZ      LYS  28   7.699  11.198  -1.699
  182    HZ2  LYS  28           1HZ      LYS  28   7.880   9.797  -2.610
  183    HZ3  LYS  28           2HZ      LYS  28   9.216  10.506  -1.849
  184    H    ASP  29           H        ASP  29   5.464   8.167   3.600
  185    HA   ASP  29           HA       ASP  29   7.441  10.020   4.596
  186    HB2  ASP  29           2HB      ASP  29   5.390  10.856   3.542
  187    HB3  ASP  29           1HB      ASP  29   4.426  10.065   4.778
  188    H    ARG  30           H        ARG  30   5.054   7.810   5.936
  189    HA   ARG  30           HA       ARG  30   5.656   8.501   8.654
  190    HB2  ARG  30           2HB      ARG  30   4.201   6.152   7.473
  191    HB3  ARG  30           1HB      ARG  30   4.355   6.444   9.191
  192    HG2  ARG  30           2HG      ARG  30   3.105   8.544   8.922
  193    HG3  ARG  30           1HG      ARG  30   2.933   8.193   7.195
  194    HD2  ARG  30           2HD      ARG  30   1.770   6.140   7.685
  195    HD3  ARG  30           1HD      ARG  30   2.035   6.378   9.407
  196    HE   ARG  30           HE       ARG  30   0.399   8.204   7.798
  197   HH11  ARG  30          1HH1      ARG  30   0.922   6.293  10.744
  198   HH12  ARG  30          2HH1      ARG  30  -0.629   6.562  11.387
  199   HH21  ARG  30          1HH2      ARG  30  -1.730   8.614   8.700
  200   HH22  ARG  30          2HH2      ARG  30  -2.176   7.919  10.196
  201    H    GLU  31           H        GLU  31   6.351   5.657   6.608
  202    HA   GLU  31           HA       GLU  31   8.241   4.706   8.636
  203    HB2  GLU  31           2HB      GLU  31   6.754   3.298   6.426
  204    HB3  GLU  31           1HB      GLU  31   7.842   2.500   7.565
  205    HG2  GLU  31           2HG      GLU  31   5.243   3.882   8.248
  206    HG3  GLU  31           1HG      GLU  31   5.443   2.147   8.048
  207    H    HIS  32           H        HIS  32   9.656   2.975   6.833
  208    HA   HIS  32           HA       HIS  32  10.760   5.023   5.104
  209    HB2  HIS  32           2HB      HIS  32  13.017   3.919   5.281
  210    HB3  HIS  32           1HB      HIS  32  12.420   4.610   6.776
  211    HD1  HIS  32           1HD      HIS  32  13.800   1.539   5.369
  212    HD2  HIS  32           2HD      HIS  32  11.439   2.649   8.570
  213    HE1  HIS  32           1HE      HIS  32  13.847  -0.430   6.947
  214    H    PHE  33           H        PHE  33   8.707   3.473   4.234
  215    HA   PHE  33           HA       PHE  33   9.708   1.435   2.434
  216    HB2  PHE  33           2HB      PHE  33   7.020   2.838   2.605
  217    HB3  PHE  33           1HB      PHE  33   7.393   1.642   1.383
  218    HD1  PHE  33           1HD      PHE  33   7.270   2.073   5.068
  219    HD2  PHE  33           2HD      PHE  33   6.855  -0.567   1.782
  220    HE1  PHE  33           1HE      PHE  33   6.411   0.326   6.586
  221    HE2  PHE  33           2HE      PHE  33   6.007  -2.314   3.280
  222    HZ   PHE  33           HZ       PHE  33   5.785  -1.872   5.685
  223    H    ALA  34           H        ALA  34  11.097   2.207   0.922
  224    HA   ALA  34           HA       ALA  34  11.109   4.843  -0.056
  225    HB1  ALA  34           1HB      ALA  34  12.362   2.400  -1.301
  226    HB2  ALA  34           2HB      ALA  34  13.088   3.396  -0.040
  227    HB3  ALA  34           3HB      ALA  34  12.787   4.078  -1.638
  228    H    TYR  35           H        TYR  35   9.553   1.971  -1.195
  229    HA   TYR  35           HA       TYR  35   8.725   3.234  -3.680
  230    HB2  TYR  35           2HB      TYR  35   8.057   0.496  -2.563
  231    HB3  TYR  35           1HB      TYR  35   7.631   1.069  -4.172
  232    HD1  TYR  35           1HD      TYR  35   9.379   1.394  -5.874
  233    HD2  TYR  35           2HD      TYR  35  10.272  -0.208  -2.054
  234    HE1  TYR  35           1HE      TYR  35  11.548   0.645  -6.720
  235    HE2  TYR  35           2HE      TYR  35  12.466  -0.969  -2.874
  236    HH   TYR  35           HH       TYR  35  13.515  -1.550  -5.105
  237    H    GLY  36           H        GLY  36   7.742   3.214  -0.527
  238    HA2  GLY  36           2HA      GLY  36   5.904   3.976   0.524
  239    HA3  GLY  36           1HA      GLY  36   5.302   4.495  -1.044
  240    H    GLY  37           H        GLY  37   4.048   3.064  -2.280
  241    HA2  GLY  37           2HA      GLY  37   3.281   0.524  -1.642
  242    HA3  GLY  37           1HA      GLY  37   2.238   1.613  -0.717
  243    H    ALA  38           H        ALA  38   0.965   0.138  -2.429
  244    HA   ALA  38           HA       ALA  38   0.115   2.069  -4.412
  245    HB1  ALA  38           1HB      ALA  38   0.774  -0.776  -5.162
  246    HB2  ALA  38           2HB      ALA  38   1.756   0.627  -5.583
  247    HB3  ALA  38           3HB      ALA  38   0.122   0.470  -6.227
  248    H    CYS  39           H        CYS  39  -1.992   1.431  -5.316
  249    HA   CYS  39           HA       CYS  39  -3.616   0.280  -3.250
  250    HB2  CYS  39           2HB      CYS  39  -4.376   1.346  -5.983
  251    HB3  CYS  39           1HB      CYS  39  -5.484   1.000  -4.672
  252    H    HIS  40           H        HIS  40  -3.814  -1.843  -3.159
  253    HA   HIS  40           HA       HIS  40  -3.587  -3.473  -5.605
  254    HB2  HIS  40           2HB      HIS  40  -1.740  -3.656  -3.855
  255    HB3  HIS  40           1HB      HIS  40  -2.949  -4.224  -2.728
  256    HD1  HIS  40           1HD      HIS  40  -0.265  -5.658  -4.070
  257    HD2  HIS  40           2HD      HIS  40  -4.289  -6.604  -4.528
  258    HE1  HIS  40           1HE      HIS  40  -0.339  -8.088  -4.749
  259    H    TYR  41           H        TYR  41  -5.209  -5.107  -5.823
  260    HA   TYR  41           HA       TYR  41  -7.647  -4.513  -4.480
  261    HB2  TYR  41           2HB      TYR  41  -7.601  -5.253  -6.841
  262    HB3  TYR  41           1HB      TYR  41  -7.078  -6.851  -6.310
  263    HD1  TYR  41           1HD      TYR  41  -9.863  -4.422  -6.222
  264    HD2  TYR  41           2HD      TYR  41  -8.699  -8.441  -5.452
  265    HE1  TYR  41           1HE      TYR  41 -12.203  -5.034  -5.965
  266    HE2  TYR  41           2HE      TYR  41 -11.044  -9.075  -5.197
  267    HH   TYR  41           HH       TYR  41 -13.186  -8.157  -4.798
  268    H    GLN  42           H        GLN  42  -8.664  -5.529  -2.942
  269    HA   GLN  42           HA       GLN  42  -7.675  -8.022  -1.855
  270    HB2  GLN  42           2HB      GLN  42  -6.683  -6.158  -0.530
  271    HB3  GLN  42           1HB      GLN  42  -8.288  -5.481  -0.307
  272    HG2  GLN  42           2HG      GLN  42  -8.950  -7.454   0.950
  273    HG3  GLN  42           1HG      GLN  42  -7.354  -8.150   0.718
  274   HE21  GLN  42          1HE2      GLN  42  -8.712  -7.534   3.178
  275   HE22  GLN  42          2HE2      GLN  42  -7.740  -6.404   4.031
  276    H    PHE  43           H        PHE  43  -9.540  -8.991  -0.642
  277    HA   PHE  43           HA       PHE  43 -11.936  -8.193  -1.922
  278    HB2  PHE  43           2HB      PHE  43 -11.489 -10.602  -1.493
  279    HB3  PHE  43           1HB      PHE  43 -11.582 -10.297   0.238
  280    HD1  PHE  43           1HD      PHE  43 -13.500 -10.546  -2.879
  281    HD2  PHE  43           2HD      PHE  43 -13.719 -10.007   1.341
  282    HE1  PHE  43           1HE      PHE  43 -15.923 -10.930  -2.958
  283    HE2  PHE  43           2HE      PHE  43 -16.149 -10.393   1.265
  284    HZ   PHE  43           HZ       PHE  43 -17.252 -10.854  -0.889
  285    HA   PRO  44           HA       PRO  44 -13.662  -7.504  -2.049
  286    HB2  PRO  44           2HB      PRO  44 -15.905  -6.159  -1.669
  287    HB3  PRO  44           1HB      PRO  44 -15.674  -7.732  -0.898
  288    HG2  PRO  44           2HG      PRO  44 -15.681  -5.035   0.312
  289    HG3  PRO  44           1HG      PRO  44 -16.023  -6.604   1.057
  290    HD2  PRO  44           2HD      PRO  44 -13.536  -5.106   1.076
  291    HD3  PRO  44           1HD      PRO  44 -13.906  -6.628   1.908
  292    H    SER  45           H        SER  45 -11.981  -5.067  -0.796
  293    HA   SER  45           HA       SER  45 -12.610  -3.276  -3.000
  294    HB2  SER  45           2HB      SER  45 -12.255  -2.368  -0.139
  295    HB3  SER  45           1HB      SER  45 -12.551  -1.327  -1.534
  296    HG   SER  45           HG       SER  45 -14.490  -2.728  -1.807
  297    H    VAL  46           H        VAL  46 -10.893  -2.096  -3.744
  298    HA   VAL  46           HA       VAL  46  -8.258  -3.028  -3.467
  299    HB   VAL  46           HB       VAL  46  -9.259  -0.333  -4.457
  300   HG11  VAL  46          1HG1      VAL  46  -6.643  -1.725  -4.988
  301   HG12  VAL  46          2HG1      VAL  46  -6.882  -0.323  -3.951
  302   HG13  VAL  46          3HG1      VAL  46  -7.170  -0.192  -5.691
  303   HG21  VAL  46          3HG2      VAL  46  -8.607  -2.815  -6.010
  304   HG22  VAL  46          1HG2      VAL  46  -9.140  -1.281  -6.687
  305   HG23  VAL  46          2HG2      VAL  46 -10.241  -2.228  -5.675
  306    H    LYS  47           H        LYS  47  -6.764  -2.590  -1.940
  307    HA   LYS  47           HA       LYS  47  -7.291  -0.349  -0.115
  308    HB2  LYS  47           2HB      LYS  47  -7.865  -2.622   0.848
  309    HB3  LYS  47           1HB      LYS  47  -6.182  -3.066   0.664
  310    HG2  LYS  47           2HG      LYS  47  -5.542  -1.313   2.256
  311    HG3  LYS  47           1HG      LYS  47  -7.239  -0.861   2.434
  312    HD2  LYS  47           2HD      LYS  47  -7.729  -3.154   3.225
  313    HD3  LYS  47           1HD      LYS  47  -6.012  -3.529   3.114
  314    HE2  LYS  47           2HE      LYS  47  -5.528  -1.790   4.770
  315    HE3  LYS  47           1HE      LYS  47  -7.246  -1.415   4.877
  316    HZ1  LYS  47           3HZ      LYS  47  -6.609  -2.852   6.695
  317    HZ2  LYS  47           1HZ      LYS  47  -5.969  -3.999   5.646
  318    HZ3  LYS  47           2HZ      LYS  47  -7.608  -3.714   5.656
  319    H    CYS  48           H        CYS  48  -5.228   0.268   1.047
  320    HA   CYS  48           HA       CYS  48  -3.127   0.555  -0.900
  321    HB2  CYS  48           2HB      CYS  48  -3.774   2.480   0.433
  322    HB3  CYS  48           1HB      CYS  48  -3.472   1.598   1.917
  323    H    PHE  49           H        PHE  49  -1.416  -0.710  -1.030
  324    HA   PHE  49           HA       PHE  49  -0.617  -2.214   1.334
  325    HB2  PHE  49           2HB      PHE  49  -0.641  -3.124  -1.546
  326    HB3  PHE  49           1HB      PHE  49   0.348  -3.874  -0.311
  327    HD1  PHE  49           2HD      PHE  49  -3.221  -3.013  -1.006
  328    HD2  PHE  49           1HD      PHE  49  -0.483  -5.644   0.905
  329    HE1  PHE  49           2HE      PHE  49  -5.077  -4.493  -0.375
  330    HE2  PHE  49           1HE      PHE  49  -2.332  -7.114   1.541
  331    HZ   PHE  49           HZ       PHE  49  -4.634  -6.539   0.904
  332    H    CYS  50           H        CYS  50   1.176  -1.572   2.030
  333    HA   CYS  50           HA       CYS  50   2.873   0.129   0.472
  334    HB2  CYS  50           2HB      CYS  50   3.142  -0.849   3.324
  335    HB3  CYS  50           1HB      CYS  50   4.028   0.490   2.590
  336    H    LYS  51           H        LYS  51   4.423  -0.613  -0.722
  337    HA   LYS  51           HA       LYS  51   5.094  -3.426  -0.638
  338    HB2  LYS  51           2HB      LYS  51   5.889  -1.256  -2.582
  339    HB3  LYS  51           1HB      LYS  51   6.300  -2.941  -2.742
  340    HG2  LYS  51           2HG      LYS  51   3.935  -3.553  -2.909
  341    HG3  LYS  51           1HG      LYS  51   3.486  -1.855  -2.743
  342    HD2  LYS  51           2HD      LYS  51   4.717  -1.327  -4.795
  343    HD3  LYS  51           1HD      LYS  51   5.181  -3.018  -4.954
  344    HE2  LYS  51           2HE      LYS  51   2.335  -2.020  -4.953
  345    HE3  LYS  51           1HE      LYS  51   3.263  -2.333  -6.413
  346    HZ1  LYS  51           3HZ      LYS  51   3.449  -4.698  -5.600
  347    HZ2  LYS  51           1HZ      LYS  51   1.887  -4.189  -5.965
  348    HZ3  LYS  51           2HZ      LYS  51   2.344  -4.314  -4.384
  349    H    ARG  52           H        ARG  52   6.581  -4.035   0.716
  350    HA   ARG  52           HA       ARG  52   8.909  -2.304   1.173
  351    HB2  ARG  52           2HB      ARG  52   9.543  -3.802   3.005
  352    HB3  ARG  52           1HB      ARG  52   7.910  -3.199   3.231
  353    HG2  ARG  52           2HG      ARG  52   6.958  -5.264   2.786
  354    HG3  ARG  52           1HG      ARG  52   8.379  -5.836   1.913
  355    HD2  ARG  52           2HD      ARG  52   8.370  -5.253   4.866
  356    HD3  ARG  52           1HD      ARG  52   8.035  -6.848   4.189
  357    HE   ARG  52           HE       ARG  52  10.452  -5.958   3.110
  358   HH11  ARG  52          1HH1      ARG  52   9.221  -6.816   6.308
  359   HH12  ARG  52          2HH1      ARG  52  10.681  -7.463   6.866
  360   HH21  ARG  52          1HH2      ARG  52  12.465  -6.875   3.841
  361   HH22  ARG  52          2HH2      ARG  52  12.582  -7.511   5.414
  362    H    GLN  53           H        GLN  53  11.018  -3.161   1.038
  363    HA   GLN  53           HA       GLN  53  11.407  -4.981  -1.116
  364    HB2  GLN  53           2HB      GLN  53  13.383  -3.751   0.806
  365    HB3  GLN  53           1HB      GLN  53  13.757  -4.563  -0.705
  366    HG2  GLN  53           2HG      GLN  53  12.522  -2.826  -1.915
  367    HG3  GLN  53           1HG      GLN  53  12.247  -1.987  -0.392
  368   HE21  GLN  53          1HE2      GLN  53  13.366  -0.165  -0.962
  369   HE22  GLN  53          2HE2      GLN  53  15.065  -0.111  -1.192
  370    H    CYS  54           H        CYS  54  11.462  -7.085  -0.886
  371    HA   CYS  54           HA       CYS  54  12.178  -8.164   1.721
  372    HB2  CYS  54           2HB      CYS  54  10.534  -9.354  -0.517
  373    HB3  CYS  54           1HB      CYS  54  10.997 -10.216   0.948
  Start of MODEL    5
    1    H1   ASP   1           1HT      ASP   1  13.774  -9.239 -12.608
    2    H2   ASP   1           2HT      ASP   1  12.410  -8.346 -13.079
    3    H3   ASP   1           3HT      ASP   1  12.565  -8.934 -11.489
    4    HA   ASP   1           HA       ASP   1  14.381  -6.977 -12.702
    5    HB2  ASP   1           2HB      ASP   1  12.061  -6.096 -12.263
    6    HB3  ASP   1           1HB      ASP   1  12.255  -6.570 -10.579
    7    H    GLY   2           H        GLY   2  15.838  -6.060 -10.988
    8    HA2  GLY   2           2HA      GLY   2  16.994  -8.136  -9.513
    9    HA3  GLY   2           1HA      GLY   2  17.410  -6.432  -9.402
   10    H    VAL   3           H        VAL   3  14.769  -5.552  -8.667
   11    HA   VAL   3           HA       VAL   3  14.905  -6.398  -5.881
   12    HB   VAL   3           HB       VAL   3  13.674  -3.893  -7.069
   13   HG11  VAL   3          1HG1      VAL   3  14.061  -4.711  -4.195
   14   HG12  VAL   3          2HG1      VAL   3  12.516  -4.581  -5.036
   15   HG13  VAL   3          3HG1      VAL   3  13.483  -3.135  -4.734
   16   HG21  VAL   3          3HG2      VAL   3  16.130  -3.948  -7.167
   17   HG22  VAL   3          1HG2      VAL   3  16.160  -4.250  -5.431
   18   HG23  VAL   3          2HG2      VAL   3  15.529  -2.719  -6.047
   19    H    LYS   4           H        LYS   4  13.263  -7.423  -4.982
   20    HA   LYS   4           HA       LYS   4  10.783  -7.692  -6.521
   21    HB2  LYS   4           2HB      LYS   4  11.873  -9.531  -4.360
   22    HB3  LYS   4           1HB      LYS   4  10.380  -9.772  -5.243
   23    HG2  LYS   4           2HG      LYS   4  11.911 -11.273  -6.194
   24    HG3  LYS   4           1HG      LYS   4  11.826  -9.937  -7.340
   25    HD2  LYS   4           2HD      LYS   4  13.896  -9.007  -6.360
   26    HD3  LYS   4           1HD      LYS   4  13.985 -10.389  -5.272
   27    HE2  LYS   4           2HE      LYS   4  14.157 -11.879  -7.226
   28    HE3  LYS   4           1HE      LYS   4  14.102 -10.469  -8.283
   29    HZ1  LYS   4           3HZ      LYS   4  16.138  -9.662  -7.181
   30    HZ2  LYS   4           1HZ      LYS   4  16.373 -11.153  -7.945
   31    HZ3  LYS   4           2HZ      LYS   4  16.190 -11.078  -6.274
   32    H    LEU   5           H        LEU   5   8.825  -7.358  -5.355
   33    HA   LEU   5           HA       LEU   5   9.254  -6.091  -2.754
   34    HB2  LEU   5           2HB      LEU   5   7.215  -5.163  -4.791
   35    HB3  LEU   5           1HB      LEU   5   7.611  -4.452  -3.237
   36    HG   LEU   5           HG       LEU   5   9.533  -4.537  -5.550
   37   HD11  LEU   5          1HD1      LEU   5   7.586  -3.140  -6.084
   38   HD12  LEU   5          2HD1      LEU   5   9.047  -2.184  -5.863
   39   HD13  LEU   5          3HD1      LEU   5   7.833  -2.231  -4.592
   40   HD21  LEU   5          3HD2      LEU   5   9.570  -3.065  -2.920
   41   HD22  LEU   5          1HD2      LEU   5  10.740  -2.854  -4.226
   42   HD23  LEU   5          2HD2      LEU   5  10.613  -4.406  -3.404
   43    H    CYS   6           H        CYS   6   7.600  -6.325  -1.327
   44    HA   CYS   6           HA       CYS   6   5.609  -8.385  -2.027
   45    HB2  CYS   6           2HB      CYS   6   6.755  -7.826   0.718
   46    HB3  CYS   6           1HB      CYS   6   5.675  -9.143   0.279
   47    H    ASP   7           H        ASP   7   3.504  -8.047  -1.342
   48    HA   ASP   7           HA       ASP   7   2.786  -5.271  -0.940
   49    HB2  ASP   7           2HB      ASP   7   1.156  -7.741  -1.529
   50    HB3  ASP   7           1HB      ASP   7   0.407  -6.204  -1.131
   51    H    VAL   8           H        VAL   8   2.798  -4.530   1.023
   52    HA   VAL   8           HA       VAL   8   1.906  -6.257   3.219
   53    HB   VAL   8           HB       VAL   8   3.433  -3.632   3.322
   54   HG11  VAL   8          1HG1      VAL   8   2.812  -5.601   5.517
   55   HG12  VAL   8          2HG1      VAL   8   2.110  -3.992   5.328
   56   HG13  VAL   8          3HG1      VAL   8   3.834  -4.171   5.667
   57   HG21  VAL   8          3HG2      VAL   8   5.376  -4.984   3.965
   58   HG22  VAL   8          1HG2      VAL   8   4.792  -5.395   2.351
   59   HG23  VAL   8          2HG2      VAL   8   4.428  -6.451   3.717
   60    HA   PRO   9           HA       PRO   9  -1.837  -3.781   2.843
   61    HB2  PRO   9           2HB      PRO   9  -3.077  -4.785   5.097
   62    HB3  PRO   9           1HB      PRO   9  -3.122  -5.558   3.514
   63    HG2  PRO   9           2HG      PRO   9  -1.403  -6.185   5.870
   64    HG3  PRO   9           1HG      PRO   9  -2.163  -7.288   4.712
   65    HD2  PRO   9           2HD      PRO   9   0.459  -6.650   4.621
   66    HD3  PRO   9           1HD      PRO   9  -0.480  -7.010   3.158
   67    H    SER  10           H        SER  10  -1.584  -1.717   3.325
   68    HA   SER  10           HA       SER  10  -0.270  -0.807   5.663
   69    HB2  SER  10           2HB      SER  10  -0.174   0.403   3.503
   70    HB3  SER  10           1HB      SER  10  -1.904   0.718   3.613
   71    HG   SER  10           HG       SER  10   0.224   1.815   5.032
   72    H    GLY  11           H        GLY  11  -1.150  -0.811   7.585
   73    HA2  GLY  11           2HA      GLY  11  -3.974  -1.123   7.978
   74    HA3  GLY  11           1HA      GLY  11  -2.744  -0.993   9.233
   75    H    THR  12           H        THR  12  -1.803   1.489   7.805
   76    HA   THR  12           HA       THR  12  -3.395   3.284   9.344
   77    HB   THR  12           HB       THR  12  -0.896   3.507   9.031
   78    HG1  THR  12           1HG      THR  12  -1.738   5.220   9.839
   79   HG21  THR  12          3HG2      THR  12  -1.700   4.606   6.343
   80   HG22  THR  12          1HG2      THR  12  -0.782   3.128   6.611
   81   HG23  THR  12          2HG2      THR  12  -0.078   4.689   7.037
   82    H    TRP  13           H        TRP  13  -3.695   1.979   6.280
   83    HA   TRP  13           HA       TRP  13  -5.275   4.262   5.381
   84    HB2  TRP  13           2HB      TRP  13  -3.458   3.393   3.849
   85    HB3  TRP  13           1HB      TRP  13  -4.392   1.905   3.721
   86    HD1  TRP  13           HD       TRP  13  -7.015   2.292   2.674
   87    HE1  TRP  13           1HE      TRP  13  -7.733   3.883   0.775
   88    HE3  TRP  13           3HE      TRP  13  -2.992   5.454   2.650
   89    HZ2  TRP  13           2HZ      TRP  13  -6.730   6.122  -0.564
   90    HZ3  TRP  13           3HZ      TRP  13  -2.953   7.285   1.022
   91    HH2  TRP  13           HH       TRP  13  -4.789   7.610  -0.555
   92    H    SER  14           H        SER  14  -7.255   4.002   6.103
   93    HA   SER  14           HA       SER  14  -8.487   1.376   5.812
   94    HB2  SER  14           2HB      SER  14  -8.336   2.381   8.166
   95    HB3  SER  14           1HB      SER  14  -9.417   3.649   7.594
   96    HG   SER  14           HG       SER  14 -11.037   2.308   7.609
   97    H    GLY  15           H        GLY  15 -10.350   1.317   4.603
   98    HA2  GLY  15           2HA      GLY  15 -12.162   2.402   3.449
   99    HA3  GLY  15           1HA      GLY  15 -11.168   3.854   3.372
  100    H    HIS  16           H        HIS  16 -11.827   3.672   1.115
  101    HA   HIS  16           HA       HIS  16 -10.684   1.571  -0.473
  102    HB2  HIS  16           2HB      HIS  16 -12.849   2.558  -1.057
  103    HB3  HIS  16           1HB      HIS  16 -12.111   4.143  -1.204
  104    HD1  HIS  16           1HD      HIS  16 -12.635   0.944  -3.078
  105    HD2  HIS  16           2HD      HIS  16 -10.671   4.568  -3.551
  106    HE1  HIS  16           1HE      HIS  16 -11.920   1.068  -5.502
  107    H    CYS  17           H        CYS  17  -8.873   1.707  -1.721
  108    HA   CYS  17           HA       CYS  17  -7.206   4.111  -1.484
  109    HB2  CYS  17           2HB      CYS  17  -6.259   1.838  -0.872
  110    HB3  CYS  17           1HB      CYS  17  -6.447   1.381  -2.556
  111    H    GLY  18           H        GLY  18  -7.893   5.467  -3.086
  112    HA2  GLY  18           2HA      GLY  18  -8.069   4.296  -5.777
  113    HA3  GLY  18           1HA      GLY  18  -8.994   5.693  -5.253
  114    H    SER  19           H        SER  19  -6.044   6.052  -3.887
  115    HA   SER  19           HA       SER  19  -4.958   7.405  -6.242
  116    HB2  SER  19           2HB      SER  19  -4.911   8.485  -3.417
  117    HB3  SER  19           1HB      SER  19  -4.287   9.287  -4.857
  118    HG   SER  19           HG       SER  19  -6.872   8.910  -3.970
  119    H    SER  20           H        SER  20  -3.258   6.164  -6.740
  120    HA   SER  20           HA       SER  20  -1.826   4.574  -4.951
  121    HB2  SER  20           2HB      SER  20  -0.242   4.416  -6.956
  122    HB3  SER  20           1HB      SER  20  -1.922   3.932  -7.214
  123    HG   SER  20           HG       SER  20  -1.771   5.257  -8.804
  124    H    SER  21           H        SER  21  -1.298   7.807  -6.177
  125    HA   SER  21           HA       SER  21   1.331   8.173  -5.272
  126    HB2  SER  21           2HB      SER  21  -0.779  10.303  -5.571
  127    HB3  SER  21           1HB      SER  21   0.968  10.472  -5.775
  128    HG   SER  21           HG       SER  21   0.861   9.170  -7.592
  129    H    LYS  22           H        LYS  22  -1.806   8.622  -3.701
  130    HA   LYS  22           HA       LYS  22  -0.569   9.802  -1.390
  131    HB2  LYS  22           2HB      LYS  22  -3.427   9.018  -1.917
  132    HB3  LYS  22           1HB      LYS  22  -2.889   9.628  -0.358
  133    HG2  LYS  22           2HG      LYS  22  -2.106  11.682  -1.437
  134    HG3  LYS  22           1HG      LYS  22  -2.670  11.053  -2.986
  135    HD2  LYS  22           2HD      LYS  22  -4.948  11.068  -2.211
  136    HD3  LYS  22           1HD      LYS  22  -4.430  11.553  -0.594
  137    HE2  LYS  22           2HE      LYS  22  -3.598  13.650  -1.435
  138    HE3  LYS  22           1HE      LYS  22  -3.950  13.181  -3.092
  139    HZ1  LYS  22           3HZ      LYS  22  -5.621  14.668  -2.192
  140    HZ2  LYS  22           1HZ      LYS  22  -5.968  13.594  -0.945
  141    HZ3  LYS  22           2HZ      LYS  22  -6.299  13.178  -2.552
  142    H    CYS  23           H        CYS  23  -1.754   6.670  -2.305
  143    HA   CYS  23           HA       CYS  23  -1.571   5.327   0.127
  144    HB2  CYS  23           2HB      CYS  23  -2.516   4.241  -1.813
  145    HB3  CYS  23           1HB      CYS  23  -1.016   4.419  -2.706
  146    H    SER  24           H        SER  24   0.917   5.822  -2.373
  147    HA   SER  24           HA       SER  24   2.971   4.656  -0.877
  148    HB2  SER  24           2HB      SER  24   4.428   5.923  -2.565
  149    HB3  SER  24           1HB      SER  24   3.283   4.747  -3.213
  150    HG   SER  24           HG       SER  24   2.199   6.286  -4.124
  151    H    GLN  25           H        GLN  25   1.946   8.025  -1.314
  152    HA   GLN  25           HA       GLN  25   3.938   9.335   0.069
  153    HB2  GLN  25           2HB      GLN  25   2.201  10.484  -1.229
  154    HB3  GLN  25           1HB      GLN  25   1.005  10.017  -0.033
  155    HG2  GLN  25           2HG      GLN  25   1.656  12.337   0.236
  156    HG3  GLN  25           1HG      GLN  25   2.101  11.377   1.644
  157   HE21  GLN  25          1HE2      GLN  25   3.890  11.337  -1.362
  158   HE22  GLN  25          2HE2      GLN  25   5.287  12.131  -0.779
  159    H    GLN  26           H        GLN  26   0.825   8.262   1.404
  160    HA   GLN  26           HA       GLN  26   1.346   9.077   4.037
  161    HB2  GLN  26           2HB      GLN  26  -0.892   8.622   3.122
  162    HB3  GLN  26           1HB      GLN  26  -0.504   6.917   3.036
  163    HG2  GLN  26           2HG      GLN  26  -0.360   6.773   5.433
  164    HG3  GLN  26           1HG      GLN  26  -0.598   8.513   5.582
  165   HE21  GLN  26          1HE2      GLN  26  -2.106   5.488   4.844
  166   HE22  GLN  26          2HE2      GLN  26  -3.734   6.055   4.968
  167    H    CYS  27           H        CYS  27   1.888   6.017   2.402
  168    HA   CYS  27           HA       CYS  27   2.644   4.619   4.725
  169    HB2  CYS  27           2HB      CYS  27   1.929   3.491   2.646
  170    HB3  CYS  27           1HB      CYS  27   3.406   4.033   1.858
  171    H    LYS  28           H        LYS  28   4.530   6.455   2.332
  172    HA   LYS  28           HA       LYS  28   7.106   5.865   3.475
  173    HB2  LYS  28           2HB      LYS  28   6.217   8.086   1.645
  174    HB3  LYS  28           1HB      LYS  28   7.886   7.778   2.083
  175    HG2  LYS  28           2HG      LYS  28   7.778   5.607   0.996
  176    HG3  LYS  28           1HG      LYS  28   6.082   5.894   0.603
  177    HD2  LYS  28           2HD      LYS  28   8.379   7.603  -0.341
  178    HD3  LYS  28           1HD      LYS  28   7.626   6.325  -1.289
  179    HE2  LYS  28           2HE      LYS  28   5.452   7.547  -1.101
  180    HE3  LYS  28           1HE      LYS  28   6.293   8.850  -0.272
  181    HZ1  LYS  28           3HZ      LYS  28   5.963   9.299  -2.639
  182    HZ2  LYS  28           1HZ      LYS  28   6.867   7.945  -3.039
  183    HZ3  LYS  28           2HZ      LYS  28   7.574   9.277  -2.254
  184    H    ASP  29           H        ASP  29   4.625   8.126   4.061
  185    HA   ASP  29           HA       ASP  29   6.223  10.060   5.415
  186    HB2  ASP  29           2HB      ASP  29   4.072  10.643   4.372
  187    HB3  ASP  29           1HB      ASP  29   3.240   9.610   5.528
  188    H    ARG  30           H        ARG  30   4.074   7.473   6.425
  189    HA   ARG  30           HA       ARG  30   4.712   8.031   9.179
  190    HB2  ARG  30           2HB      ARG  30   3.010   5.847   8.014
  191    HB3  ARG  30           1HB      ARG  30   3.165   6.224   9.726
  192    HG2  ARG  30           2HG      ARG  30   2.324   8.509   9.218
  193    HG3  ARG  30           1HG      ARG  30   1.991   7.958   7.576
  194    HD2  ARG  30           2HD      ARG  30  -0.014   7.822   8.900
  195    HD3  ARG  30           1HD      ARG  30   0.545   6.201   8.501
  196    HE   ARG  30           HE       ARG  30   1.624   6.301  10.807
  197   HH11  ARG  30          1HH1      ARG  30  -1.475   7.808  10.032
  198   HH12  ARG  30          2HH1      ARG  30  -2.071   7.682  11.626
  199   HH21  ARG  30          1HH2      ARG  30   0.826   6.182  12.954
  200   HH22  ARG  30          2HH2      ARG  30  -0.718   6.764  13.342
  201    H    GLU  31           H        GLU  31   5.181   5.221   7.021
  202    HA   GLU  31           HA       GLU  31   7.148   4.295   8.954
  203    HB2  GLU  31           2HB      GLU  31   5.458   2.778   6.984
  204    HB3  GLU  31           1HB      GLU  31   6.918   2.084   7.658
  205    HG2  GLU  31           2HG      GLU  31   5.093   1.243   8.895
  206    HG3  GLU  31           1HG      GLU  31   5.923   2.399   9.924
  207    H    HIS  32           H        HIS  32   8.743   2.742   7.619
  208    HA   HIS  32           HA       HIS  32   9.840   4.582   5.664
  209    HB2  HIS  32           2HB      HIS  32  11.295   2.603   7.414
  210    HB3  HIS  32           1HB      HIS  32  12.057   3.662   6.228
  211    HD1  HIS  32           1HD      HIS  32  10.570   3.663   9.659
  212    HD2  HIS  32           2HD      HIS  32  12.111   6.379   6.927
  213    HE1  HIS  32           1HE      HIS  32  10.878   5.801  10.927
  214    H    PHE  33           H        PHE  33   8.567   3.720   4.068
  215    HA   PHE  33           HA       PHE  33   9.625   1.221   2.958
  216    HB2  PHE  33           2HB      PHE  33   6.884   2.466   2.652
  217    HB3  PHE  33           1HB      PHE  33   7.477   1.217   1.572
  218    HD1  PHE  33           1HD      PHE  33   6.609   1.939   5.099
  219    HD2  PHE  33           2HD      PHE  33   7.338  -1.042   2.163
  220    HE1  PHE  33           1HE      PHE  33   5.744   0.220   6.635
  221    HE2  PHE  33           2HE      PHE  33   6.467  -2.765   3.701
  222    HZ   PHE  33           HZ       PHE  33   5.675  -2.130   5.933
  223    H    ALA  34           H        ALA  34  11.081   1.733   1.557
  224    HA   ALA  34           HA       ALA  34  11.429   4.279   0.419
  225    HB1  ALA  34           1HB      ALA  34  12.674   1.662  -0.389
  226    HB2  ALA  34           2HB      ALA  34  13.259   2.730   0.885
  227    HB3  ALA  34           3HB      ALA  34  13.265   3.273  -0.793
  228    H    TYR  35           H        TYR  35   9.759   1.472  -0.677
  229    HA   TYR  35           HA       TYR  35   9.447   2.628  -3.335
  230    HB2  TYR  35           2HB      TYR  35   8.803  -0.123  -2.276
  231    HB3  TYR  35           1HB      TYR  35   8.334   0.420  -3.886
  232    HD1  TYR  35           2HD      TYR  35  11.182  -0.421  -1.722
  233    HD2  TYR  35           1HD      TYR  35   9.931   0.637  -5.626
  234    HE1  TYR  35           2HE      TYR  35  13.410  -1.012  -2.578
  235    HE2  TYR  35           1HE      TYR  35  12.140   0.058  -6.515
  236    HH   TYR  35           HH       TYR  35  14.493  -0.091  -5.610
  237    H    GLY  36           H        GLY  36   7.989   2.933  -0.485
  238    HA2  GLY  36           2HA      GLY  36   6.007   3.814   0.156
  239    HA3  GLY  36           1HA      GLY  36   5.693   4.159  -1.539
  240    H    GLY  37           H        GLY  37   3.974   3.197  -2.352
  241    HA2  GLY  37           2HA      GLY  37   3.255   0.545  -1.814
  242    HA3  GLY  37           1HA      GLY  37   2.259   1.669  -0.888
  243    H    ALA  38           H        ALA  38   0.913   0.245  -2.564
  244    HA   ALA  38           HA       ALA  38   0.020   2.129  -4.544
  245    HB1  ALA  38           1HB      ALA  38   0.077   0.441  -6.369
  246    HB2  ALA  38           2HB      ALA  38   0.981  -0.637  -5.299
  247    HB3  ALA  38           3HB      ALA  38   1.694   0.883  -5.818
  248    H    CYS  39           H        CYS  39  -2.089   1.313  -5.429
  249    HA   CYS  39           HA       CYS  39  -3.555   0.189  -3.219
  250    HB2  CYS  39           2HB      CYS  39  -4.519   1.180  -5.913
  251    HB3  CYS  39           1HB      CYS  39  -5.533   0.817  -4.525
  252    H    HIS  40           H        HIS  40  -4.262  -1.868  -3.116
  253    HA   HIS  40           HA       HIS  40  -4.300  -3.491  -5.541
  254    HB2  HIS  40           2HB      HIS  40  -2.098  -3.909  -4.501
  255    HB3  HIS  40           1HB      HIS  40  -2.865  -4.239  -2.960
  256    HD1  HIS  40           1HD      HIS  40  -1.873  -5.861  -6.153
  257    HD2  HIS  40           2HD      HIS  40  -4.189  -6.732  -2.824
  258    HE1  HIS  40           1HE      HIS  40  -2.261  -8.336  -6.218
  259    H    TYR  41           H        TYR  41  -5.787  -5.261  -5.395
  260    HA   TYR  41           HA       TYR  41  -8.013  -4.575  -3.778
  261    HB2  TYR  41           2HB      TYR  41  -8.464  -5.291  -6.026
  262    HB3  TYR  41           1HB      TYR  41  -7.659  -6.830  -5.746
  263    HD1  TYR  41           2HD      TYR  41 -10.522  -4.790  -4.467
  264    HD2  TYR  41           1HD      TYR  41  -8.934  -8.690  -5.102
  265    HE1  TYR  41           2HE      TYR  41 -12.624  -5.765  -3.704
  266    HE2  TYR  41           1HE      TYR  41 -11.028  -9.673  -4.347
  267    HH   TYR  41           HH       TYR  41 -13.868  -7.855  -3.974
  268    H    GLN  42           H        GLN  42  -8.786  -5.381  -2.069
  269    HA   GLN  42           HA       GLN  42  -8.205  -8.025  -1.170
  270    HB2  GLN  42           2HB      GLN  42  -6.538  -6.694   0.034
  271    HB3  GLN  42           1HB      GLN  42  -7.749  -5.492   0.455
  272    HG2  GLN  42           2HG      GLN  42  -8.898  -7.120   1.851
  273    HG3  GLN  42           1HG      GLN  42  -7.729  -8.351   1.396
  274   HE21  GLN  42          1HE2      GLN  42  -8.462  -7.222   3.977
  275   HE22  GLN  42          2HE2      GLN  42  -6.992  -6.636   4.670
  276    H    PHE  43           H        PHE  43 -10.064  -8.742  -0.074
  277    HA   PHE  43           HA       PHE  43 -12.432  -7.307  -0.644
  278    HB2  PHE  43           2HB      PHE  43 -12.307  -9.812  -0.443
  279    HB3  PHE  43           1HB      PHE  43 -12.069  -9.631   1.288
  280    HD1  PHE  43           1HD      PHE  43 -14.459  -9.204  -1.477
  281    HD2  PHE  43           2HD      PHE  43 -13.926  -9.212   2.747
  282    HE1  PHE  43           1HE      PHE  43 -16.895  -9.207  -1.174
  283    HE2  PHE  43           2HE      PHE  43 -16.359  -9.216   3.058
  284    HZ   PHE  43           HZ       PHE  43 -17.853  -9.212   1.090
  285    HA   PRO  44           HA       PRO  44 -14.238  -6.709  -0.091
  286    HB2  PRO  44           2HB      PRO  44 -15.963  -4.863   0.774
  287    HB3  PRO  44           1HB      PRO  44 -15.842  -6.458   1.521
  288    HG2  PRO  44           2HG      PRO  44 -15.013  -3.838   2.579
  289    HG3  PRO  44           1HG      PRO  44 -15.330  -5.346   3.446
  290    HD2  PRO  44           2HD      PRO  44 -12.785  -4.230   2.617
  291    HD3  PRO  44           1HD      PRO  44 -13.094  -5.665   3.613
  292    H    SER  45           H        SER  45 -12.065  -4.230   0.499
  293    HA   SER  45           HA       SER  45 -12.839  -2.837  -1.916
  294    HB2  SER  45           2HB      SER  45 -12.510  -0.637  -0.699
  295    HB3  SER  45           1HB      SER  45 -13.982  -1.521  -0.296
  296    HG   SER  45           HG       SER  45 -11.620  -1.843   1.249
  297    H    VAL  46           H        VAL  46 -11.119  -2.111  -3.053
  298    HA   VAL  46           HA       VAL  46  -8.548  -2.986  -2.752
  299    HB   VAL  46           HB       VAL  46  -9.420  -0.363  -4.020
  300   HG11  VAL  46          1HG1      VAL  46  -7.016  -0.408  -3.628
  301   HG12  VAL  46          2HG1      VAL  46  -7.380  -0.516  -5.352
  302   HG13  VAL  46          3HG1      VAL  46  -6.900  -1.958  -4.459
  303   HG21  VAL  46          3HG2      VAL  46 -10.573  -2.261  -4.976
  304   HG22  VAL  46          1HG2      VAL  46  -9.043  -3.105  -5.211
  305   HG23  VAL  46          2HG2      VAL  46  -9.386  -1.637  -6.119
  306    H    LYS  47           H        LYS  47  -6.897  -2.547  -1.494
  307    HA   LYS  47           HA       LYS  47  -7.160  -0.312   0.397
  308    HB2  LYS  47           2HB      LYS  47  -7.507  -2.667   1.273
  309    HB3  LYS  47           1HB      LYS  47  -5.839  -2.991   0.856
  310    HG2  LYS  47           2HG      LYS  47  -5.112  -1.276   2.432
  311    HG3  LYS  47           1HG      LYS  47  -6.789  -0.962   2.875
  312    HD2  LYS  47           2HD      LYS  47  -6.951  -3.415   3.457
  313    HD3  LYS  47           1HD      LYS  47  -5.201  -3.486   3.266
  314    HE2  LYS  47           2HE      LYS  47  -5.686  -3.199   5.581
  315    HE3  LYS  47           1HE      LYS  47  -4.998  -1.700   4.974
  316    HZ1  LYS  47           3HZ      LYS  47  -7.162  -0.678   4.949
  317    HZ2  LYS  47           1HZ      LYS  47  -6.968  -1.414   6.447
  318    HZ3  LYS  47           2HZ      LYS  47  -7.931  -2.137   5.290
  319    H    CYS  48           H        CYS  48  -4.942   0.238   1.316
  320    HA   CYS  48           HA       CYS  48  -3.102   0.649  -0.877
  321    HB2  CYS  48           2HB      CYS  48  -3.633   2.533   0.580
  322    HB3  CYS  48           1HB      CYS  48  -3.137   1.616   1.988
  323    H    PHE  49           H        PHE  49  -1.404  -0.606  -1.190
  324    HA   PHE  49           HA       PHE  49  -0.504  -2.267   1.032
  325    HB2  PHE  49           2HB      PHE  49  -0.764  -2.983  -1.875
  326    HB3  PHE  49           1HB      PHE  49   0.297  -3.863  -0.791
  327    HD1  PHE  49           2HD      PHE  49  -3.240  -2.898  -1.326
  328    HD2  PHE  49           1HD      PHE  49  -0.518  -5.497   0.634
  329    HE1  PHE  49           2HE      PHE  49  -5.110  -4.290  -0.581
  330    HE2  PHE  49           1HE      PHE  49  -2.376  -6.881   1.390
  331    HZ   PHE  49           HZ       PHE  49  -4.682  -6.278   0.792
  332    H    CYS  50           H        CYS  50   1.236  -1.557   1.748
  333    HA   CYS  50           HA       CYS  50   3.064   0.073   0.358
  334    HB2  CYS  50           2HB      CYS  50   3.292  -1.446   2.959
  335    HB3  CYS  50           1HB      CYS  50   4.457  -0.258   2.385
  336    H    LYS  51           H        LYS  51   4.996  -0.467  -0.485
  337    HA   LYS  51           HA       LYS  51   5.274  -3.302  -1.178
  338    HB2  LYS  51           2HB      LYS  51   6.451  -0.848  -2.501
  339    HB3  LYS  51           1HB      LYS  51   6.677  -2.510  -2.991
  340    HG2  LYS  51           2HG      LYS  51   3.956  -1.239  -2.904
  341    HG3  LYS  51           1HG      LYS  51   5.030  -1.210  -4.308
  342    HD2  LYS  51           2HD      LYS  51   5.054  -3.659  -4.347
  343    HD3  LYS  51           1HD      LYS  51   3.984  -3.694  -2.944
  344    HE2  LYS  51           2HE      LYS  51   3.244  -2.315  -5.518
  345    HE3  LYS  51           1HE      LYS  51   2.901  -4.015  -5.226
  346    HZ1  LYS  51           3HZ      LYS  51   1.933  -1.906  -3.351
  347    HZ2  LYS  51           1HZ      LYS  51   1.491  -3.526  -3.511
  348    HZ3  LYS  51           2HZ      LYS  51   1.041  -2.440  -4.710
  349    H    ARG  52           H        ARG  52   6.654  -4.264   0.061
  350    HA   ARG  52           HA       ARG  52   8.942  -2.682   0.979
  351    HB2  ARG  52           2HB      ARG  52   9.486  -4.398   2.623
  352    HB3  ARG  52           1HB      ARG  52   7.840  -3.840   2.831
  353    HG2  ARG  52           2HG      ARG  52   6.961  -5.839   1.928
  354    HG3  ARG  52           1HG      ARG  52   8.545  -6.352   1.347
  355    HD2  ARG  52           2HD      ARG  52   7.851  -5.961   4.260
  356    HD3  ARG  52           1HD      ARG  52   7.822  -7.517   3.432
  357    HE   ARG  52           HE       ARG  52  10.205  -7.261   3.040
  358   HH11  ARG  52          1HH1      ARG  52   8.843  -5.230   5.633
  359   HH12  ARG  52          2HH1      ARG  52  10.346  -5.066   6.430
  360   HH21  ARG  52          1HH2      ARG  52  12.243  -6.992   4.221
  361   HH22  ARG  52          2HH2      ARG  52  12.239  -6.028   5.630
  362    H    GLN  53           H        GLN  53  10.990  -3.310   0.761
  363    HA   GLN  53           HA       GLN  53  11.661  -4.660  -1.648
  364    HB2  GLN  53           2HB      GLN  53  12.889  -2.722  -0.624
  365    HB3  GLN  53           1HB      GLN  53  13.402  -3.796   0.665
  366    HG2  GLN  53           2HG      GLN  53  14.553  -5.190  -1.019
  367    HG3  GLN  53           1HG      GLN  53  14.100  -4.006  -2.246
  368   HE21  GLN  53          1HE2      GLN  53  16.111  -4.658   0.479
  369   HE22  GLN  53          2HE2      GLN  53  17.123  -3.265   0.300
  370    H    CYS  54           H        CYS  54  11.935  -6.803  -1.816
  371    HA   CYS  54           HA       CYS  54  12.406  -8.282   0.644
  372    HB2  CYS  54           2HB      CYS  54  10.688  -9.048  -1.713
  373    HB3  CYS  54           1HB      CYS  54  11.094 -10.136  -0.386
  Start of MODEL    6
    1    H1   ASP   1           1HT      ASP   1   9.710  -6.625 -13.071
    2    H2   ASP   1           2HT      ASP   1   8.155  -6.905 -12.439
    3    H3   ASP   1           3HT      ASP   1   9.280  -8.147 -12.499
    4    HA   ASP   1           HA       ASP   1   9.606  -5.682 -10.931
    5    HB2  ASP   1           2HB      ASP   1   8.765  -8.455 -10.075
    6    HB3  ASP   1           1HB      ASP   1   9.262  -7.189  -8.958
    7    H    GLY   2           H        GLY   2  11.657  -5.301 -10.531
    8    HA2  GLY   2           2HA      GLY   2  13.633  -7.382 -10.993
    9    HA3  GLY   2           1HA      GLY   2  13.954  -5.679 -10.679
   10    H    VAL   3           H        VAL   3  12.196  -5.599  -8.375
   11    HA   VAL   3           HA       VAL   3  13.789  -7.189  -6.511
   12    HB   VAL   3           HB       VAL   3  14.372  -4.793  -6.346
   13   HG11  VAL   3          1HG1      VAL   3  11.462  -4.330  -5.769
   14   HG12  VAL   3          2HG1      VAL   3  12.394  -3.734  -7.148
   15   HG13  VAL   3          3HG1      VAL   3  12.737  -3.138  -5.526
   16   HG21  VAL   3          3HG2      VAL   3  14.500  -6.089  -4.299
   17   HG22  VAL   3          1HG2      VAL   3  12.799  -5.767  -3.959
   18   HG23  VAL   3          2HG2      VAL   3  13.968  -4.447  -3.933
   19    H    LYS   4           H        LYS   4  12.619  -8.121  -4.782
   20    HA   LYS   4           HA       LYS   4   9.808  -8.371  -5.442
   21    HB2  LYS   4           2HB      LYS   4  11.472  -9.979  -3.502
   22    HB3  LYS   4           1HB      LYS   4   9.808 -10.319  -3.945
   23    HG2  LYS   4           2HG      LYS   4  12.246 -10.496  -5.710
   24    HG3  LYS   4           1HG      LYS   4  11.224 -11.821  -5.148
   25    HD2  LYS   4           2HD      LYS   4  10.369  -9.593  -7.014
   26    HD3  LYS   4           1HD      LYS   4  10.812 -11.219  -7.512
   27    HE2  LYS   4           2HE      LYS   4   8.550 -10.603  -5.621
   28    HE3  LYS   4           1HE      LYS   4   8.341 -10.779  -7.357
   29    HZ1  LYS   4           3HZ      LYS   4   9.159 -13.056  -7.166
   30    HZ2  LYS   4           1HZ      LYS   4   7.813 -12.807  -6.191
   31    HZ3  LYS   4           2HZ      LYS   4   9.340 -12.873  -5.495
   32    H    LEU   5           H        LEU   5   8.518  -7.053  -4.558
   33    HA   LEU   5           HA       LEU   5   9.222  -5.891  -1.988
   34    HB2  LEU   5           2HB      LEU   5   7.038  -5.044  -3.878
   35    HB3  LEU   5           1HB      LEU   5   7.654  -4.222  -2.452
   36    HG   LEU   5           HG       LEU   5   9.251  -4.698  -4.934
   37   HD11  LEU   5          1HD1      LEU   5   8.978  -2.279  -5.328
   38   HD12  LEU   5          2HD1      LEU   5   7.870  -2.205  -3.953
   39   HD13  LEU   5          3HD1      LEU   5   7.440  -3.142  -5.384
   40   HD21  LEU   5          3HD2      LEU   5  10.767  -3.031  -3.915
   41   HD22  LEU   5          1HD2      LEU   5  10.636  -4.537  -3.008
   42   HD23  LEU   5          2HD2      LEU   5   9.784  -3.096  -2.451
   43    H    CYS   6           H        CYS   6   8.093  -6.281  -0.326
   44    HA   CYS   6           HA       CYS   6   5.941  -8.219  -0.540
   45    HB2  CYS   6           2HB      CYS   6   7.393  -7.167   1.887
   46    HB3  CYS   6           1HB      CYS   6   6.189  -8.455   1.893
   47    H    ASP   7           H        ASP   7   3.930  -7.731  -0.276
   48    HA   ASP   7           HA       ASP   7   3.206  -4.954   0.125
   49    HB2  ASP   7           2HB      ASP   7   1.631  -7.362  -0.776
   50    HB3  ASP   7           1HB      ASP   7   0.896  -5.796  -0.467
   51    H    VAL   8           H        VAL   8   2.455  -4.240   1.923
   52    HA   VAL   8           HA       VAL   8   1.389  -6.190   3.815
   53    HB   VAL   8           HB       VAL   8   2.184  -4.818   5.683
   54   HG11  VAL   8          1HG1      VAL   8   3.644  -6.579   4.931
   55   HG12  VAL   8          2HG1      VAL   8   4.601  -5.202   5.479
   56   HG13  VAL   8          3HG1      VAL   8   4.388  -5.498   3.755
   57   HG21  VAL   8          3HG2      VAL   8   3.759  -2.971   5.336
   58   HG22  VAL   8          1HG2      VAL   8   2.166  -2.624   4.655
   59   HG23  VAL   8          2HG2      VAL   8   3.497  -3.097   3.595
   60    HA   PRO   9           HA       PRO   9  -2.357  -3.783   3.592
   61    HB2  PRO   9           2HB      PRO   9  -2.604  -4.488   6.473
   62    HB3  PRO   9           1HB      PRO   9  -3.755  -4.748   5.159
   63    HG2  PRO   9           2HG      PRO   9  -2.383  -6.780   6.166
   64    HG3  PRO   9           1HG      PRO   9  -2.673  -6.670   4.419
   65    HD2  PRO   9           2HD      PRO   9  -0.201  -6.050   5.983
   66    HD3  PRO   9           1HD      PRO   9  -0.381  -6.851   4.406
   67    H    SER  10           H        SER  10  -2.311  -1.611   3.703
   68    HA   SER  10           HA       SER  10  -0.506  -0.243   5.323
   69    HB2  SER  10           2HB      SER  10  -1.376   0.600   3.167
   70    HB3  SER  10           1HB      SER  10  -2.946   0.846   3.924
   71    HG   SER  10           HG       SER  10  -0.735   2.356   3.964
   72    H    GLY  11           H        GLY  11  -0.627  -0.093   7.430
   73    HA2  GLY  11           2HA      GLY  11  -3.095  -0.375   8.875
   74    HA3  GLY  11           1HA      GLY  11  -1.496  -0.116   9.557
   75    H    THR  12           H        THR  12  -1.757   2.135   7.298
   76    HA   THR  12           HA       THR  12  -2.755   4.115   9.192
   77    HB   THR  12           HB       THR  12  -0.429   4.485   8.686
   78    HG1  THR  12           1HG      THR  12  -1.765   6.346   8.757
   79   HG21  THR  12          3HG2      THR  12   0.400   4.894   6.400
   80   HG22  THR  12          1HG2      THR  12  -1.205   4.509   5.773
   81   HG23  THR  12          2HG2      THR  12  -0.258   3.266   6.587
   82    H    TRP  13           H        TRP  13  -3.431   2.611   6.186
   83    HA   TRP  13           HA       TRP  13  -4.875   4.901   5.142
   84    HB2  TRP  13           2HB      TRP  13  -3.491   3.342   3.685
   85    HB3  TRP  13           1HB      TRP  13  -4.737   2.131   3.961
   86    HD1  TRP  13           HD       TRP  13  -7.099   2.490   2.709
   87    HE1  TRP  13           1HE      TRP  13  -7.784   4.006   0.742
   88    HE3  TRP  13           3HE      TRP  13  -3.037   5.578   2.604
   89    HZ2  TRP  13           2HZ      TRP  13  -6.730   6.194  -0.672
   90    HZ3  TRP  13           3HZ      TRP  13  -2.949   7.347   0.919
   91    HH2  TRP  13           HH       TRP  13  -4.754   7.653  -0.685
   92    H    SER  14           H        SER  14  -7.062   5.008   4.976
   93    HA   SER  14           HA       SER  14  -8.538   2.967   6.437
   94    HB2  SER  14           2HB      SER  14  -8.359   5.216   7.535
   95    HB3  SER  14           1HB      SER  14  -9.178   5.911   6.144
   96    HG   SER  14           HG       SER  14 -10.170   4.659   8.286
   97    H    GLY  15           H        GLY  15  -9.383   1.714   4.839
   98    HA2  GLY  15           2HA      GLY  15 -11.274   1.253   3.569
   99    HA3  GLY  15           1HA      GLY  15 -11.475   2.966   3.272
  100    H    HIS  16           H        HIS  16 -11.775   2.892   1.203
  101    HA   HIS  16           HA       HIS  16 -10.489   1.252  -0.688
  102    HB2  HIS  16           2HB      HIS  16 -12.728   2.075  -1.055
  103    HB3  HIS  16           1HB      HIS  16 -12.194   3.735  -0.917
  104    HD1  HIS  16           1HD      HIS  16 -12.175   0.821  -3.365
  105    HD2  HIS  16           2HD      HIS  16 -11.286   4.880  -3.218
  106    HE1  HIS  16           1HE      HIS  16 -11.900   1.555  -5.748
  107    H    CYS  17           H        CYS  17  -8.783   1.591  -1.939
  108    HA   CYS  17           HA       CYS  17  -7.253   4.049  -1.524
  109    HB2  CYS  17           2HB      CYS  17  -6.172   1.771  -1.205
  110    HB3  CYS  17           1HB      CYS  17  -6.355   1.533  -2.936
  111    H    GLY  18           H        GLY  18  -8.134   5.509  -2.890
  112    HA2  GLY  18           2HA      GLY  18  -8.264   4.727  -5.721
  113    HA3  GLY  18           1HA      GLY  18  -9.271   5.972  -4.980
  114    H    SER  19           H        SER  19  -6.139   5.840  -3.810
  115    HA   SER  19           HA       SER  19  -5.200   7.934  -5.594
  116    HB2  SER  19           2HB      SER  19  -5.151   8.078  -2.582
  117    HB3  SER  19           1HB      SER  19  -4.539   9.305  -3.693
  118    HG   SER  19           HG       SER  19  -6.882   9.109  -4.507
  119    H    SER  20           H        SER  20  -3.669   6.611  -6.452
  120    HA   SER  20           HA       SER  20  -2.162   4.707  -5.080
  121    HB2  SER  20           2HB      SER  20  -1.611   6.082  -7.708
  122    HB3  SER  20           1HB      SER  20  -0.893   4.566  -7.157
  123    HG   SER  20           HG       SER  20  -3.145   4.898  -8.460
  124    H    SER  21           H        SER  21  -1.305   7.993  -6.177
  125    HA   SER  21           HA       SER  21   1.371   7.879  -5.302
  126    HB2  SER  21           2HB      SER  21  -0.341  10.338  -5.732
  127    HB3  SER  21           1HB      SER  21   1.419  10.235  -5.811
  128    HG   SER  21           HG       SER  21   0.876   8.513  -7.471
  129    H    LYS  22           H        LYS  22  -1.614   8.890  -3.811
  130    HA   LYS  22           HA       LYS  22  -0.482  10.053  -1.487
  131    HB2  LYS  22           2HB      LYS  22  -3.191   8.830  -1.963
  132    HB3  LYS  22           1HB      LYS  22  -2.746   9.657  -0.479
  133    HG2  LYS  22           2HG      LYS  22  -2.716  10.919  -3.208
  134    HG3  LYS  22           1HG      LYS  22  -4.048  11.051  -2.062
  135    HD2  LYS  22           2HD      LYS  22  -2.517  12.101  -0.438
  136    HD3  LYS  22           1HD      LYS  22  -1.212  12.009  -1.623
  137    HE2  LYS  22           2HE      LYS  22  -2.213  14.231  -1.566
  138    HE3  LYS  22           1HE      LYS  22  -2.458  13.454  -3.126
  139    HZ1  LYS  22           3HZ      LYS  22  -4.453  14.568  -2.358
  140    HZ2  LYS  22           1HZ      LYS  22  -4.480  13.634  -0.954
  141    HZ3  LYS  22           2HZ      LYS  22  -4.718  12.917  -2.471
  142    H    CYS  23           H        CYS  23  -1.672   6.793  -2.204
  143    HA   CYS  23           HA       CYS  23  -1.206   5.588   0.249
  144    HB2  CYS  23           2HB      CYS  23  -2.463   4.469  -1.489
  145    HB3  CYS  23           1HB      CYS  23  -1.093   4.518  -2.582
  146    H    SER  24           H        SER  24   0.981   6.023  -2.536
  147    HA   SER  24           HA       SER  24   3.199   4.721  -1.503
  148    HB2  SER  24           2HB      SER  24   3.195   7.142  -3.325
  149    HB3  SER  24           1HB      SER  24   4.452   5.905  -3.193
  150    HG   SER  24           HG       SER  24   2.495   4.462  -3.720
  151    H    GLN  25           H        GLN  25   2.414   8.206  -1.413
  152    HA   GLN  25           HA       GLN  25   4.673   8.974   0.048
  153    HB2  GLN  25           2HB      GLN  25   1.992  10.342  -0.177
  154    HB3  GLN  25           1HB      GLN  25   3.423  11.071   0.534
  155    HG2  GLN  25           2HG      GLN  25   4.572  10.839  -1.640
  156    HG3  GLN  25           1HG      GLN  25   3.080  10.203  -2.327
  157   HE21  GLN  25          1HE2      GLN  25   4.678  12.993  -1.071
  158   HE22  GLN  25          2HE2      GLN  25   3.564  14.178  -1.645
  159    H    GLN  26           H        GLN  26   1.446   8.034   1.153
  160    HA   GLN  26           HA       GLN  26   1.848   8.836   3.850
  161    HB2  GLN  26           2HB      GLN  26  -0.371   8.564   2.737
  162    HB3  GLN  26           1HB      GLN  26  -0.128   6.829   2.768
  163    HG2  GLN  26           2HG      GLN  26  -0.147   6.827   5.179
  164    HG3  GLN  26           1HG      GLN  26  -0.238   8.588   5.199
  165   HE21  GLN  26          1HE2      GLN  26  -2.067   6.669   6.320
  166   HE22  GLN  26          2HE2      GLN  26  -3.596   6.972   5.576
  167    H    CYS  27           H        CYS  27   2.118   5.652   2.260
  168    HA   CYS  27           HA       CYS  27   2.833   4.324   4.645
  169    HB2  CYS  27           2HB      CYS  27   3.456   3.603   1.773
  170    HB3  CYS  27           1HB      CYS  27   3.797   2.562   3.149
  171    H    LYS  28           H        LYS  28   4.747   5.975   2.174
  172    HA   LYS  28           HA       LYS  28   7.282   5.256   3.250
  173    HB2  LYS  28           2HB      LYS  28   6.908   5.942   0.894
  174    HB3  LYS  28           1HB      LYS  28   6.508   7.555   1.449
  175    HG2  LYS  28           2HG      LYS  28   8.762   7.929   2.176
  176    HG3  LYS  28           1HG      LYS  28   9.189   6.247   1.862
  177    HD2  LYS  28           2HD      LYS  28  10.012   7.621   0.041
  178    HD3  LYS  28           1HD      LYS  28   8.691   6.604  -0.531
  179    HE2  LYS  28           2HE      LYS  28   8.446   8.805  -1.459
  180    HE3  LYS  28           1HE      LYS  28   7.155   8.533  -0.300
  181    HZ1  LYS  28           3HZ      LYS  28   8.383   9.874   1.306
  182    HZ2  LYS  28           1HZ      LYS  28   8.118  10.723  -0.119
  183    HZ3  LYS  28           2HZ      LYS  28   9.638  10.076   0.205
  184    H    ASP  29           H        ASP  29   4.973   7.691   3.968
  185    HA   ASP  29           HA       ASP  29   6.685   9.379   5.495
  186    HB2  ASP  29           2HB      ASP  29   4.603  10.242   4.572
  187    HB3  ASP  29           1HB      ASP  29   3.678   9.068   5.498
  188    H    ARG  30           H        ARG  30   4.311   6.903   6.322
  189    HA   ARG  30           HA       ARG  30   4.722   7.064   9.126
  190    HB2  ARG  30           2HB      ARG  30   3.504   4.834   7.503
  191    HB3  ARG  30           1HB      ARG  30   3.438   4.955   9.253
  192    HG2  ARG  30           2HG      ARG  30   2.283   6.972   7.338
  193    HG3  ARG  30           1HG      ARG  30   1.370   5.704   8.151
  194    HD2  ARG  30           2HD      ARG  30   1.886   6.669  10.313
  195    HD3  ARG  30           1HD      ARG  30   2.911   7.889   9.558
  196    HE   ARG  30           HE       ARG  30   0.718   8.437   8.327
  197   HH11  ARG  30          1HH1      ARG  30   0.975   7.554  11.738
  198   HH12  ARG  30          2HH1      ARG  30  -0.355   8.455  12.247
  199   HH21  ARG  30          1HH2      ARG  30  -1.119   9.713   8.989
  200   HH22  ARG  30          2HH2      ARG  30  -1.576   9.740  10.631
  201    H    GLU  31           H        GLU  31   5.806   4.518   6.858
  202    HA   GLU  31           HA       GLU  31   7.885   3.863   8.829
  203    HB2  GLU  31           2HB      GLU  31   6.366   1.958   7.032
  204    HB3  GLU  31           1HB      GLU  31   7.768   1.505   7.976
  205    HG2  GLU  31           2HG      GLU  31   6.575   1.931  10.037
  206    HG3  GLU  31           1HG      GLU  31   5.182   2.528   9.139
  207    H    HIS  32           H        HIS  32   9.661   2.478   7.536
  208    HA   HIS  32           HA       HIS  32  10.383   4.249   5.385
  209    HB2  HIS  32           2HB      HIS  32  12.096   3.753   7.103
  210    HB3  HIS  32           1HB      HIS  32  12.053   2.053   6.648
  211    HD1  HIS  32           1HD      HIS  32  13.683   1.375   4.838
  212    HD2  HIS  32           2HD      HIS  32  13.068   5.477   4.968
  213    HE1  HIS  32           1HE      HIS  32  15.301   2.366   3.183
  214    H    PHE  33           H        PHE  33   8.727   3.519   4.104
  215    HA   PHE  33           HA       PHE  33   9.288   1.028   2.687
  216    HB2  PHE  33           2HB      PHE  33   6.952   2.937   2.538
  217    HB3  PHE  33           1HB      PHE  33   7.165   1.589   1.432
  218    HD1  PHE  33           1HD      PHE  33   7.284  -0.710   2.402
  219    HD2  PHE  33           2HD      PHE  33   5.900   2.637   4.599
  220    HE1  PHE  33           1HE      PHE  33   6.144  -2.215   3.951
  221    HE2  PHE  33           2HE      PHE  33   4.743   1.132   6.167
  222    HZ   PHE  33           HZ       PHE  33   4.867  -1.284   5.855
  223    H    ALA  34           H        ALA  34  10.851   1.292   1.294
  224    HA   ALA  34           HA       ALA  34  11.684   3.724   0.198
  225    HB1  ALA  34           1HB      ALA  34  13.118   1.740   0.411
  226    HB2  ALA  34           2HB      ALA  34  13.146   2.424  -1.212
  227    HB3  ALA  34           3HB      ALA  34  12.212   0.962  -0.890
  228    H    TYR  35           H        TYR  35   9.270   1.510  -0.880
  229    HA   TYR  35           HA       TYR  35   8.940   3.100  -3.329
  230    HB2  TYR  35           2HB      TYR  35   8.180   0.227  -2.797
  231    HB3  TYR  35           1HB      TYR  35   7.713   1.112  -4.243
  232    HD1  TYR  35           1HD      TYR  35   9.399   1.767  -5.888
  233    HD2  TYR  35           2HD      TYR  35  10.413  -0.545  -2.489
  234    HE1  TYR  35           1HE      TYR  35  11.528   1.190  -6.939
  235    HE2  TYR  35           2HE      TYR  35  12.556  -1.142  -3.513
  236    HH   TYR  35           HH       TYR  35  13.555  -1.278  -5.802
  237    H    GLY  36           H        GLY  36   7.858   3.202  -0.421
  238    HA2  GLY  36           2HA      GLY  36   5.958   3.954   0.574
  239    HA3  GLY  36           1HA      GLY  36   5.419   4.424  -1.029
  240    H    GLY  37           H        GLY  37   3.916   3.187  -2.070
  241    HA2  GLY  37           2HA      GLY  37   3.132   0.619  -1.364
  242    HA3  GLY  37           1HA      GLY  37   2.122   1.799  -0.517
  243    H    ALA  38           H        ALA  38   0.941   0.186  -2.314
  244    HA   ALA  38           HA       ALA  38   0.206   2.107  -4.382
  245    HB1  ALA  38           1HB      ALA  38   0.865  -0.780  -4.973
  246    HB2  ALA  38           2HB      ALA  38   1.865   0.604  -5.399
  247    HB3  ALA  38           3HB      ALA  38   0.271   0.414  -6.131
  248    H    CYS  39           H        CYS  39  -1.897   1.672  -5.271
  249    HA   CYS  39           HA       CYS  39  -3.702   0.540  -3.349
  250    HB2  CYS  39           2HB      CYS  39  -4.202   1.614  -6.140
  251    HB3  CYS  39           1HB      CYS  39  -5.451   1.190  -4.982
  252    H    HIS  40           H        HIS  40  -4.213  -1.556  -3.298
  253    HA   HIS  40           HA       HIS  40  -4.015  -3.035  -5.792
  254    HB2  HIS  40           2HB      HIS  40  -1.951  -3.474  -4.601
  255    HB3  HIS  40           1HB      HIS  40  -2.827  -3.839  -3.126
  256    HD1  HIS  40           1HD      HIS  40  -3.033  -6.273  -2.689
  257    HD2  HIS  40           2HD      HIS  40  -2.678  -5.438  -6.741
  258    HE1  HIS  40           1HE      HIS  40  -2.976  -8.505  -3.854
  259    H    TYR  41           H        TYR  41  -5.706  -4.159  -6.234
  260    HA   TYR  41           HA       TYR  41  -7.854  -4.447  -4.314
  261    HB2  TYR  41           2HB      TYR  41  -8.147  -3.876  -6.820
  262    HB3  TYR  41           1HB      TYR  41  -7.755  -5.565  -7.109
  263    HD1  TYR  41           1HD      TYR  41  -9.201  -7.269  -5.494
  264    HD2  TYR  41           2HD      TYR  41 -10.400  -3.364  -6.728
  265    HE1  TYR  41           1HE      TYR  41 -11.499  -7.864  -5.094
  266    HE2  TYR  41           2HE      TYR  41 -12.729  -3.959  -6.319
  267    HH   TYR  41           HH       TYR  41 -14.069  -6.151  -6.266
  268    H    GLN  42           H        GLN  42  -7.711  -6.104  -2.982
  269    HA   GLN  42           HA       GLN  42  -6.957  -8.650  -4.168
  270    HB2  GLN  42           2HB      GLN  42  -5.003  -7.926  -2.899
  271    HB3  GLN  42           1HB      GLN  42  -6.002  -7.707  -1.469
  272    HG2  GLN  42           2HG      GLN  42  -6.351 -10.007  -1.224
  273    HG3  GLN  42           1HG      GLN  42  -5.756 -10.365  -2.841
  274   HE21  GLN  42          1HE2      GLN  42  -4.902  -9.548   0.411
  275   HE22  GLN  42          2HE2      GLN  42  -3.216  -9.883   0.268
  276    H    PHE  43           H        PHE  43  -8.009  -7.524  -1.173
  277    HA   PHE  43           HA       PHE  43 -10.567  -8.709  -1.493
  278    HB2  PHE  43           2HB      PHE  43  -9.215 -10.677  -1.068
  279    HB3  PHE  43           1HB      PHE  43  -8.653 -10.007   0.459
  280    HD1  PHE  43           1HD      PHE  43 -11.551 -11.390  -1.331
  281    HD2  PHE  43           2HD      PHE  43  -9.998 -10.165   2.436
  282    HE1  PHE  43           1HE      PHE  43 -13.440 -12.470  -0.205
  283    HE2  PHE  43           2HE      PHE  43 -11.893 -11.245   3.570
  284    HZ   PHE  43           HZ       PHE  43 -13.614 -12.402   2.250
  285    HA   PRO  44           HA       PRO  44 -12.318  -8.460  -0.922
  286    HB2  PRO  44           2HB      PRO  44 -14.485  -7.148   0.115
  287    HB3  PRO  44           1HB      PRO  44 -13.841  -8.643   0.794
  288    HG2  PRO  44           2HG      PRO  44 -13.837  -5.995   1.964
  289    HG3  PRO  44           1HG      PRO  44 -13.297  -7.514   2.683
  290    HD2  PRO  44           2HD      PRO  44 -11.719  -5.373   1.422
  291    HD3  PRO  44           1HD      PRO  44 -11.195  -6.650   2.537
  292    H    SER  45           H        SER  45 -10.951  -5.559  -0.745
  293    HA   SER  45           HA       SER  45 -12.255  -4.451  -3.068
  294    HB2  SER  45           2HB      SER  45 -12.040  -2.993  -0.411
  295    HB3  SER  45           1HB      SER  45 -12.564  -2.245  -1.914
  296    HG   SER  45           HG       SER  45 -13.991  -4.419  -1.594
  297    H    VAL  46           H        VAL  46 -10.918  -2.222  -3.453
  298    HA   VAL  46           HA       VAL  46  -8.132  -3.016  -3.265
  299    HB   VAL  46           HB       VAL  46  -8.709  -2.307  -5.507
  300   HG11  VAL  46          1HG1      VAL  46 -10.644  -1.098  -5.082
  301   HG12  VAL  46          2HG1      VAL  46  -9.508  -0.088  -6.005
  302   HG13  VAL  46          3HG1      VAL  46  -9.740   0.186  -4.266
  303   HG21  VAL  46          3HG2      VAL  46  -6.498  -1.593  -4.801
  304   HG22  VAL  46          1HG2      VAL  46  -7.176  -0.091  -4.172
  305   HG23  VAL  46          2HG2      VAL  46  -7.211  -0.415  -5.905
  306    H    LYS  47           H        LYS  47  -6.881  -2.507  -1.858
  307    HA   LYS  47           HA       LYS  47  -7.414  -0.112  -0.255
  308    HB2  LYS  47           2HB      LYS  47  -8.059  -2.266   0.857
  309    HB3  LYS  47           1HB      LYS  47  -6.390  -2.786   0.733
  310    HG2  LYS  47           2HG      LYS  47  -5.689  -0.977   2.198
  311    HG3  LYS  47           1HG      LYS  47  -7.343  -0.372   2.268
  312    HD2  LYS  47           2HD      LYS  47  -6.454  -3.090   3.208
  313    HD3  LYS  47           1HD      LYS  47  -6.688  -1.685   4.255
  314    HE2  LYS  47           2HE      LYS  47  -9.073  -1.617   3.553
  315    HE3  LYS  47           1HE      LYS  47  -8.802  -3.057   2.576
  316    HZ1  LYS  47           3HZ      LYS  47  -8.581  -2.900   5.540
  317    HZ2  LYS  47           1HZ      LYS  47  -8.281  -4.280   4.622
  318    HZ3  LYS  47           2HZ      LYS  47  -9.818  -3.612   4.682
  319    H    CYS  48           H        CYS  48  -5.389   0.581   0.861
  320    HA   CYS  48           HA       CYS  48  -3.228   0.697  -1.012
  321    HB2  CYS  48           2HB      CYS  48  -3.836   2.691   0.189
  322    HB3  CYS  48           1HB      CYS  48  -3.701   1.867   1.729
  323    H    PHE  49           H        PHE  49  -1.569  -0.631  -1.044
  324    HA   PHE  49           HA       PHE  49  -0.901  -2.097   1.390
  325    HB2  PHE  49           2HB      PHE  49  -0.784  -3.044  -1.484
  326    HB3  PHE  49           1HB      PHE  49   0.086  -3.835  -0.184
  327    HD1  PHE  49           1HD      PHE  49  -3.331  -2.957  -1.347
  328    HD2  PHE  49           2HD      PHE  49  -0.961  -5.388   1.210
  329    HE1  PHE  49           1HE      PHE  49  -5.296  -4.334  -0.848
  330    HE2  PHE  49           2HE      PHE  49  -2.924  -6.767   1.727
  331    HZ   PHE  49           HZ       PHE  49  -5.099  -6.246   0.705
  332    H    CYS  50           H        CYS  50   0.877  -1.433   2.172
  333    HA   CYS  50           HA       CYS  50   2.647   0.291   0.725
  334    HB2  CYS  50           2HB      CYS  50   3.102  -0.980   3.424
  335    HB3  CYS  50           1HB      CYS  50   3.806   0.504   2.807
  336    H    LYS  51           H        LYS  51   4.760  -0.249   0.041
  337    HA   LYS  51           HA       LYS  51   5.193  -3.163  -0.164
  338    HB2  LYS  51           2HB      LYS  51   6.002  -1.117  -2.239
  339    HB3  LYS  51           1HB      LYS  51   6.068  -2.860  -2.372
  340    HG2  LYS  51           2HG      LYS  51   3.613  -2.981  -2.296
  341    HG3  LYS  51           1HG      LYS  51   3.533  -1.226  -2.189
  342    HD2  LYS  51           2HD      LYS  51   3.142  -1.747  -4.465
  343    HD3  LYS  51           1HD      LYS  51   4.810  -1.184  -4.393
  344    HE2  LYS  51           2HE      LYS  51   4.762  -3.116  -5.794
  345    HE3  LYS  51           1HE      LYS  51   5.523  -3.589  -4.278
  346    HZ1  LYS  51           3HZ      LYS  51   3.252  -4.491  -3.619
  347    HZ2  LYS  51           1HZ      LYS  51   3.980  -5.275  -4.931
  348    HZ3  LYS  51           2HZ      LYS  51   2.761  -4.150  -5.167
  349    H    ARG  52           H        ARG  52   6.879  -3.741   0.989
  350    HA   ARG  52           HA       ARG  52   9.191  -1.927   1.057
  351    HB2  ARG  52           2HB      ARG  52   9.970  -3.175   3.092
  352    HB3  ARG  52           1HB      ARG  52   8.505  -2.239   3.333
  353    HG2  ARG  52           2HG      ARG  52   7.198  -4.250   3.173
  354    HG3  ARG  52           1HG      ARG  52   8.639  -5.202   2.851
  355    HD2  ARG  52           2HD      ARG  52   7.864  -5.312   5.244
  356    HD3  ARG  52           1HD      ARG  52   9.532  -4.787   5.036
  357    HE   ARG  52           HE       ARG  52   8.626  -2.467   5.320
  358   HH11  ARG  52          1HH1      ARG  52   7.009  -5.225   6.914
  359   HH12  ARG  52          2HH1      ARG  52   6.355  -4.269   8.150
  360   HH21  ARG  52          1HH2      ARG  52   7.767  -1.231   7.006
  361   HH22  ARG  52          2HH2      ARG  52   6.794  -1.855   8.232
  362    H    GLN  53           H        GLN  53  11.258  -2.775   0.745
  363    HA   GLN  53           HA       GLN  53  11.400  -4.846  -1.177
  364    HB2  GLN  53           2HB      GLN  53  13.625  -3.498   0.357
  365    HB3  GLN  53           1HB      GLN  53  13.789  -4.477  -1.086
  366    HG2  GLN  53           2HG      GLN  53  12.456  -2.832  -2.320
  367    HG3  GLN  53           1HG      GLN  53  12.411  -1.819  -0.880
  368   HE21  GLN  53          1HE2      GLN  53  14.346  -0.820  -0.186
  369   HE22  GLN  53          2HE2      GLN  53  15.675  -0.615  -1.257
  370    H    CYS  54           H        CYS  54  11.748  -6.977  -0.899
  371    HA   CYS  54           HA       CYS  54  12.812  -7.812   1.685
  372    HB2  CYS  54           2HB      CYS  54  10.906  -9.293  -0.141
  373    HB3  CYS  54           1HB      CYS  54  11.621  -9.968   1.320
  Start of MODEL    7
    1    H1   ASP   1           1HT      ASP   1  11.745  -8.795 -13.157
    2    H2   ASP   1           2HT      ASP   1  11.003  -7.671 -14.152
    3    H3   ASP   1           3HT      ASP   1  10.274  -9.155 -13.900
    4    HA   ASP   1           HA       ASP   1   9.163  -7.452 -12.658
    5    HB2  ASP   1           2HB      ASP   1   9.320  -8.417 -10.381
    6    HB3  ASP   1           1HB      ASP   1   9.239  -9.671 -11.610
    7    H    GLY   2           H        GLY   2  12.644  -7.581 -11.887
    8    HA2  GLY   2           2HA      GLY   2  13.802  -5.485 -11.791
    9    HA3  GLY   2           1HA      GLY   2  12.373  -4.795 -11.022
   10    H    VAL   3           H        VAL   3  12.065  -5.040  -8.869
   11    HA   VAL   3           HA       VAL   3  14.068  -6.610  -7.448
   12    HB   VAL   3           HB       VAL   3  14.486  -4.165  -7.190
   13   HG11  VAL   3          1HG1      VAL   3  12.254  -3.290  -7.412
   14   HG12  VAL   3          2HG1      VAL   3  12.983  -2.762  -5.887
   15   HG13  VAL   3          3HG1      VAL   3  11.793  -4.057  -5.889
   16   HG21  VAL   3          3HG2      VAL   3  15.188  -5.607  -5.392
   17   HG22  VAL   3          1HG2      VAL   3  13.583  -5.530  -4.662
   18   HG23  VAL   3          2HG2      VAL   3  14.594  -4.086  -4.729
   19    H    LYS   4           H        LYS   4  13.279  -7.959  -5.881
   20    HA   LYS   4           HA       LYS   4  10.539  -8.600  -5.931
   21    HB2  LYS   4           2HB      LYS   4  12.722  -9.462  -4.040
   22    HB3  LYS   4           1HB      LYS   4  11.117 -10.160  -4.073
   23    HG2  LYS   4           2HG      LYS   4  13.109 -10.206  -6.335
   24    HG3  LYS   4           1HG      LYS   4  12.750 -11.545  -5.248
   25    HD2  LYS   4           2HD      LYS   4  10.793 -10.220  -7.111
   26    HD3  LYS   4           1HD      LYS   4  11.594 -11.759  -7.419
   27    HE2  LYS   4           2HE      LYS   4  10.548 -12.697  -5.381
   28    HE3  LYS   4           1HE      LYS   4   9.722 -11.168  -5.121
   29    HZ1  LYS   4           3HZ      LYS   4   8.299 -12.799  -6.154
   30    HZ2  LYS   4           1HZ      LYS   4   9.336 -12.939  -7.465
   31    HZ3  LYS   4           2HZ      LYS   4   8.511 -11.485  -7.173
   32    H    LEU   5           H        LEU   5   8.957  -7.516  -4.997
   33    HA   LEU   5           HA       LEU   5   9.453  -6.313  -2.356
   34    HB2  LEU   5           2HB      LEU   5   7.591  -5.131  -4.432
   35    HB3  LEU   5           1HB      LEU   5   7.985  -4.493  -2.853
   36    HG   LEU   5           HG       LEU   5   9.904  -4.720  -5.137
   37   HD11  LEU   5          1HD1      LEU   5   8.501  -2.311  -3.982
   38   HD12  LEU   5          2HD1      LEU   5   8.190  -3.038  -5.557
   39   HD13  LEU   5          3HD1      LEU   5   9.743  -2.267  -5.232
   40   HD21  LEU   5          3HD2      LEU   5  10.191  -3.503  -2.397
   41   HD22  LEU   5          1HD2      LEU   5  11.326  -3.249  -3.730
   42   HD23  LEU   5          2HD2      LEU   5  11.081  -4.867  -3.094
   43    H    CYS   6           H        CYS   6   7.864  -6.522  -0.931
   44    HA   CYS   6           HA       CYS   6   5.636  -8.306  -1.685
   45    HB2  CYS   6           2HB      CYS   6   6.804  -7.862   1.073
   46    HB3  CYS   6           1HB      CYS   6   5.592  -9.057   0.624
   47    H    ASP   7           H        ASP   7   3.603  -7.531  -1.446
   48    HA   ASP   7           HA       ASP   7   3.347  -4.758  -0.621
   49    HB2  ASP   7           2HB      ASP   7   1.305  -6.646  -1.848
   50    HB3  ASP   7           1HB      ASP   7   1.065  -4.928  -1.589
   51    H    VAL   8           H        VAL   8   3.078  -4.467   1.468
   52    HA   VAL   8           HA       VAL   8   1.602  -6.470   2.997
   53    HB   VAL   8           HB       VAL   8   2.662  -5.567   5.020
   54   HG11  VAL   8          1HG1      VAL   8   3.813  -7.351   3.834
   55   HG12  VAL   8          2HG1      VAL   8   4.975  -6.240   4.566
   56   HG13  VAL   8          3HG1      VAL   8   4.652  -6.154   2.841
   57   HG21  VAL   8          3HG2      VAL   8   4.127  -3.676   3.168
   58   HG22  VAL   8          1HG2      VAL   8   4.474  -3.891   4.885
   59   HG23  VAL   8          2HG2      VAL   8   2.923  -3.224   4.376
   60    HA   PRO   9           HA       PRO   9  -1.864  -3.709   3.237
   61    HB2  PRO   9           2HB      PRO   9  -2.491  -4.895   5.857
   62    HB3  PRO   9           1HB      PRO   9  -3.444  -4.903   4.373
   63    HG2  PRO   9           2HG      PRO   9  -2.213  -7.107   5.309
   64    HG3  PRO   9           1HG      PRO   9  -2.441  -6.804   3.580
   65    HD2  PRO   9           2HD      PRO   9   0.021  -6.541   5.241
   66    HD3  PRO   9           1HD      PRO   9  -0.174  -7.050   3.550
   67    H    SER  10           H        SER  10  -1.596  -1.615   3.737
   68    HA   SER  10           HA       SER  10  -0.141  -0.784   6.025
   69    HB2  SER  10           2HB      SER  10  -1.813   0.838   4.104
   70    HB3  SER  10           1HB      SER  10  -0.486   1.412   5.118
   71    HG   SER  10           HG       SER  10   0.854   0.795   3.618
   72    H    GLY  11           H        GLY  11  -1.060  -0.808   8.000
   73    HA2  GLY  11           2HA      GLY  11  -3.893  -0.884   8.420
   74    HA3  GLY  11           1HA      GLY  11  -2.657  -0.785   9.668
   75    H    THR  12           H        THR  12  -1.617   1.596   8.068
   76    HA   THR  12           HA       THR  12  -2.822   3.665   9.568
   77    HB   THR  12           HB       THR  12  -1.361   5.021   7.929
   78    HG1  THR  12           1HG      THR  12   0.132   2.820   7.374
   79   HG21  THR  12          3HG2      THR  12  -0.124   2.861   9.658
   80   HG22  THR  12          1HG2      THR  12  -0.659   4.443  10.223
   81   HG23  THR  12          2HG2      THR  12   0.699   4.318   9.103
   82    H    TRP  13           H        TRP  13  -3.435   2.212   6.527
   83    HA   TRP  13           HA       TRP  13  -4.938   4.505   5.527
   84    HB2  TRP  13           2HB      TRP  13  -3.281   3.366   4.041
   85    HB3  TRP  13           1HB      TRP  13  -4.235   1.896   4.171
   86    HD1  TRP  13           HD       TRP  13  -6.685   1.930   2.933
   87    HE1  TRP  13           1HE      TRP  13  -7.497   3.267   0.909
   88    HE3  TRP  13           3HE      TRP  13  -3.062   5.547   2.839
   89    HZ2  TRP  13           2HZ      TRP  13  -6.696   5.562  -0.555
   90    HZ3  TRP  13           3HZ      TRP  13  -3.158   7.259   1.091
   91    HH2  TRP  13           HH       TRP  13  -4.934   7.261  -0.572
   92    H    SER  14           H        SER  14  -7.112   4.432   5.443
   93    HA   SER  14           HA       SER  14  -8.421   1.879   5.875
   94    HB2  SER  14           2HB      SER  14  -8.394   3.163   8.025
   95    HB3  SER  14           1HB      SER  14  -9.191   4.499   7.200
   96    HG   SER  14           HG       SER  14 -10.888   3.516   7.901
   97    H    GLY  15           H        GLY  15  -9.734   1.524   4.225
   98    HA2  GLY  15           2HA      GLY  15 -11.713   2.291   3.064
   99    HA3  GLY  15           1HA      GLY  15 -10.920   3.855   2.922
  100    H    HIS  16           H        HIS  16 -11.581   3.425   0.717
  101    HA   HIS  16           HA       HIS  16 -10.267   1.461  -0.862
  102    HB2  HIS  16           2HB      HIS  16 -12.407   2.243  -1.584
  103    HB3  HIS  16           1HB      HIS  16 -11.893   3.917  -1.504
  104    HD1  HIS  16           1HD      HIS  16 -11.535   0.827  -3.713
  105    HD2  HIS  16           2HD      HIS  16 -10.784   4.918  -3.771
  106    HE1  HIS  16           1HE      HIS  16 -10.874   1.384  -6.064
  107    H    CYS  17           H        CYS  17  -8.438   1.578  -1.967
  108    HA   CYS  17           HA       CYS  17  -6.775   3.933  -1.656
  109    HB2  CYS  17           2HB      CYS  17  -5.875   1.591  -1.328
  110    HB3  CYS  17           1HB      CYS  17  -6.126   1.331  -3.049
  111    H    GLY  18           H        GLY  18  -7.487   5.456  -3.006
  112    HA2  GLY  18           2HA      GLY  18  -8.185   4.678  -5.724
  113    HA3  GLY  18           1HA      GLY  18  -8.570   6.215  -4.954
  114    H    SER  19           H        SER  19  -6.027   6.739  -3.923
  115    HA   SER  19           HA       SER  19  -4.634   7.337  -6.409
  116    HB2  SER  19           2HB      SER  19  -5.353   9.293  -5.178
  117    HB3  SER  19           1HB      SER  19  -4.555   8.714  -3.719
  118    HG   SER  19           HG       SER  19  -3.414   9.642  -6.133
  119    H    SER  20           H        SER  20  -3.103   5.874  -6.778
  120    HA   SER  20           HA       SER  20  -1.808   4.347  -4.835
  121    HB2  SER  20           2HB      SER  20  -0.862   5.039  -7.626
  122    HB3  SER  20           1HB      SER  20  -0.357   3.657  -6.657
  123    HG   SER  20           HG       SER  20  -2.043   3.288  -8.287
  124    H    SER  21           H        SER  21  -1.159   7.471  -6.256
  125    HA   SER  21           HA       SER  21   1.498   7.768  -5.385
  126    HB2  SER  21           2HB      SER  21   0.637   9.138  -7.186
  127    HB3  SER  21           1HB      SER  21  -0.620   9.793  -6.142
  128    HG   SER  21           HG       SER  21   2.187  10.184  -5.873
  129    H    LYS  22           H        LYS  22  -1.633   8.644  -3.936
  130    HA   LYS  22           HA       LYS  22  -0.382   9.824  -1.675
  131    HB2  LYS  22           2HB      LYS  22  -3.226   8.876  -2.024
  132    HB3  LYS  22           1HB      LYS  22  -2.630   9.755  -0.623
  133    HG2  LYS  22           2HG      LYS  22  -2.034  11.642  -2.056
  134    HG3  LYS  22           1HG      LYS  22  -2.656  10.760  -3.450
  135    HD2  LYS  22           2HD      LYS  22  -4.873  10.698  -2.372
  136    HD3  LYS  22           1HD      LYS  22  -4.227  11.668  -1.047
  137    HE2  LYS  22           2HE      LYS  22  -5.395  13.078  -2.641
  138    HE3  LYS  22           1HE      LYS  22  -3.674  13.457  -2.621
  139    HZ1  LYS  22           3HZ      LYS  22  -3.434  12.093  -4.664
  140    HZ2  LYS  22           1HZ      LYS  22  -4.508  13.379  -4.864
  141    HZ3  LYS  22           2HZ      LYS  22  -5.104  11.834  -4.661
  142    H    CYS  23           H        CYS  23  -1.528   6.632  -2.457
  143    HA   CYS  23           HA       CYS  23  -1.242   5.445   0.050
  144    HB2  CYS  23           2HB      CYS  23  -2.284   4.241  -1.769
  145    HB3  CYS  23           1HB      CYS  23  -0.818   4.336  -2.731
  146    H    SER  24           H        SER  24   1.176   5.873  -2.566
  147    HA   SER  24           HA       SER  24   3.342   4.709  -1.251
  148    HB2  SER  24           2HB      SER  24   3.470   7.039  -3.176
  149    HB3  SER  24           1HB      SER  24   4.699   5.803  -2.875
  150    HG   SER  24           HG       SER  24   2.798   4.354  -3.586
  151    H    GLN  25           H        GLN  25   2.259   8.090  -1.396
  152    HA   GLN  25           HA       GLN  25   4.360   9.133   0.146
  153    HB2  GLN  25           2HB      GLN  25   1.663  10.226  -0.580
  154    HB3  GLN  25           1HB      GLN  25   2.835  11.144   0.352
  155    HG2  GLN  25           2HG      GLN  25   4.423  11.014  -1.464
  156    HG3  GLN  25           1HG      GLN  25   3.306  10.017  -2.394
  157   HE21  GLN  25          1HE2      GLN  25   1.575  10.960  -3.347
  158   HE22  GLN  25          2HE2      GLN  25   1.394  12.662  -3.534
  159    H    GLN  26           H        GLN  26   1.067   8.179   1.058
  160    HA   GLN  26           HA       GLN  26   1.099   8.981   3.727
  161    HB2  GLN  26           2HB      GLN  26  -0.892   8.176   2.405
  162    HB3  GLN  26           1HB      GLN  26  -0.259   6.553   2.498
  163    HG2  GLN  26           2HG      GLN  26  -1.017   8.131   4.949
  164    HG3  GLN  26           1HG      GLN  26  -2.184   7.188   4.040
  165   HE21  GLN  26          1HE2      GLN  26  -2.035   4.912   4.133
  166   HE22  GLN  26          2HE2      GLN  26  -1.105   4.150   5.390
  167    H    CYS  27           H        CYS  27   2.018   5.932   2.227
  168    HA   CYS  27           HA       CYS  27   2.786   4.603   4.536
  169    HB2  CYS  27           2HB      CYS  27   2.355   3.494   2.399
  170    HB3  CYS  27           1HB      CYS  27   3.795   4.242   1.718
  171    H    LYS  28           H        LYS  28   4.733   6.615   2.312
  172    HA   LYS  28           HA       LYS  28   7.206   6.158   3.682
  173    HB2  LYS  28           2HB      LYS  28   6.418   8.375   1.789
  174    HB3  LYS  28           1HB      LYS  28   8.051   8.073   2.353
  175    HG2  LYS  28           2HG      LYS  28   8.029   5.897   1.241
  176    HG3  LYS  28           1HG      LYS  28   6.379   6.204   0.691
  177    HD2  LYS  28           2HD      LYS  28   7.159   8.175  -0.537
  178    HD3  LYS  28           1HD      LYS  28   8.803   7.861   0.013
  179    HE2  LYS  28           2HE      LYS  28   8.768   5.701  -1.156
  180    HE3  LYS  28           1HE      LYS  28   7.126   6.040  -1.703
  181    HZ1  LYS  28           3HZ      LYS  28   7.996   7.990  -2.885
  182    HZ2  LYS  28           1HZ      LYS  28   8.732   6.580  -3.441
  183    HZ3  LYS  28           2HZ      LYS  28   9.543   7.618  -2.398
  184    H    ASP  29           H        ASP  29   4.565   8.306   4.172
  185    HA   ASP  29           HA       ASP  29   6.063  10.182   5.775
  186    HB2  ASP  29           2HB      ASP  29   4.256  11.047   4.422
  187    HB3  ASP  29           1HB      ASP  29   3.110   9.962   5.193
  188    H    ARG  30           H        ARG  30   3.519   7.788   6.368
  189    HA   ARG  30           HA       ARG  30   3.648   8.222   9.204
  190    HB2  ARG  30           2HB      ARG  30   2.165   6.214   7.534
  191    HB3  ARG  30           1HB      ARG  30   2.208   6.094   9.277
  192    HG2  ARG  30           2HG      ARG  30   0.141   7.123   8.485
  193    HG3  ARG  30           1HG      ARG  30   1.072   8.238   9.475
  194    HD2  ARG  30           2HD      ARG  30   1.637   9.564   7.656
  195    HD3  ARG  30           1HD      ARG  30   1.336   8.270   6.497
  196    HE   ARG  30           HE       ARG  30  -1.061   8.646   7.570
  197   HH11  ARG  30          1HH1      ARG  30   1.196  11.104   6.422
  198   HH12  ARG  30          2HH1      ARG  30   0.035  12.005   5.571
  199   HH21  ARG  30          1HH2      ARG  30  -2.688   9.862   6.429
  200   HH22  ARG  30          2HH2      ARG  30  -2.262  11.274   5.597
  201    H    GLU  31           H        GLU  31   4.654   5.630   7.006
  202    HA   GLU  31           HA       GLU  31   6.077   4.353   9.219
  203    HB2  GLU  31           2HB      GLU  31   5.115   3.302   6.553
  204    HB3  GLU  31           1HB      GLU  31   6.060   2.375   7.704
  205    HG2  GLU  31           2HG      GLU  31   3.313   3.493   8.215
  206    HG3  GLU  31           1HG      GLU  31   3.666   1.832   7.747
  207    H    HIS  32           H        HIS  32   7.848   2.895   7.691
  208    HA   HIS  32           HA       HIS  32   9.302   4.877   6.127
  209    HB2  HIS  32           2HB      HIS  32  10.487   2.963   8.157
  210    HB3  HIS  32           1HB      HIS  32  11.427   3.911   7.016
  211    HD1  HIS  32           1HD      HIS  32  11.866   6.355   7.627
  212    HD2  HIS  32           2HD      HIS  32   9.299   4.434  10.258
  213    HE1  HIS  32           1HE      HIS  32  11.605   7.910   9.585
  214    H    PHE  33           H        PHE  33   8.566   3.996   4.259
  215    HA   PHE  33           HA       PHE  33   9.874   1.518   3.513
  216    HB2  PHE  33           2HB      PHE  33   6.972   2.174   2.887
  217    HB3  PHE  33           1HB      PHE  33   7.882   0.918   2.065
  218    HD1  PHE  33           2HD      PHE  33   8.402  -1.195   3.209
  219    HD2  PHE  33           1HD      PHE  33   6.204   1.888   5.156
  220    HE1  PHE  33           2HE      PHE  33   7.716  -2.774   4.952
  221    HE2  PHE  33           1HE      PHE  33   5.514   0.290   6.893
  222    HZ   PHE  33           HZ       PHE  33   6.270  -2.040   6.782
  223    H    ALA  34           H        ALA  34  11.270   2.119   2.089
  224    HA   ALA  34           HA       ALA  34  11.192   4.609   0.765
  225    HB1  ALA  34           1HB      ALA  34  13.282   3.487   1.388
  226    HB2  ALA  34           2HB      ALA  34  13.235   3.885  -0.330
  227    HB3  ALA  34           3HB      ALA  34  12.948   2.227   0.198
  228    H    TYR  35           H        TYR  35  10.099   1.463  -0.100
  229    HA   TYR  35           HA       TYR  35   9.773   2.239  -2.869
  230    HB2  TYR  35           2HB      TYR  35   9.111  -0.348  -1.462
  231    HB3  TYR  35           1HB      TYR  35   8.834  -0.056  -3.176
  232    HD1  TYR  35           1HD      TYR  35  11.345  -0.608  -0.605
  233    HD2  TYR  35           2HD      TYR  35  10.664   0.079  -4.714
  234    HE1  TYR  35           1HE      TYR  35  13.670  -1.260  -1.073
  235    HE2  TYR  35           2HE      TYR  35  12.984  -0.575  -5.230
  236    HH   TYR  35           HH       TYR  35  15.006  -2.057  -2.848
  237    H    GLY  36           H        GLY  36   8.175   2.943  -0.181
  238    HA2  GLY  36           2HA      GLY  36   6.177   3.931   0.185
  239    HA3  GLY  36           1HA      GLY  36   5.973   3.998  -1.558
  240    H    GLY  37           H        GLY  37   4.155   3.121  -2.148
  241    HA2  GLY  37           2HA      GLY  37   3.393   0.536  -1.372
  242    HA3  GLY  37           1HA      GLY  37   2.433   1.771  -0.556
  243    H    ALA  38           H        ALA  38   1.290   0.036  -2.293
  244    HA   ALA  38           HA       ALA  38   0.404   1.894  -4.322
  245    HB1  ALA  38           1HB      ALA  38   1.296  -0.917  -4.955
  246    HB2  ALA  38           2HB      ALA  38   2.126   0.576  -5.405
  247    HB3  ALA  38           3HB      ALA  38   0.536   0.216  -6.084
  248    H    CYS  39           H        CYS  39  -1.622   1.151  -5.272
  249    HA   CYS  39           HA       CYS  39  -3.331   0.131  -3.231
  250    HB2  CYS  39           2HB      CYS  39  -3.895   0.819  -6.118
  251    HB3  CYS  39           1HB      CYS  39  -5.107   0.557  -4.871
  252    H    HIS  40           H        HIS  40  -3.558  -1.964  -2.873
  253    HA   HIS  40           HA       HIS  40  -3.321  -3.804  -5.138
  254    HB2  HIS  40           2HB      HIS  40  -1.367  -3.926  -3.554
  255    HB3  HIS  40           1HB      HIS  40  -2.483  -4.287  -2.256
  256    HD1  HIS  40           1HD      HIS  40  -0.470  -5.876  -4.879
  257    HD2  HIS  40           2HD      HIS  40  -3.705  -6.898  -2.484
  258    HE1  HIS  40           1HE      HIS  40  -0.640  -8.395  -4.977
  259    H    TYR  41           H        TYR  41  -5.004  -5.152  -5.388
  260    HA   TYR  41           HA       TYR  41  -7.342  -4.561  -3.982
  261    HB2  TYR  41           2HB      TYR  41  -7.360  -5.336  -6.339
  262    HB3  TYR  41           1HB      TYR  41  -6.903  -6.946  -5.786
  263    HD1  TYR  41           1HD      TYR  41  -9.591  -4.431  -5.794
  264    HD2  TYR  41           2HD      TYR  41  -8.526  -8.409  -4.746
  265    HE1  TYR  41           1HE      TYR  41 -11.946  -4.942  -5.390
  266    HE2  TYR  41           2HE      TYR  41 -10.890  -8.941  -4.350
  267    HH   TYR  41           HH       TYR  41 -13.392  -7.089  -5.405
  268    H    GLN  42           H        GLN  42  -8.324  -5.429  -2.346
  269    HA   GLN  42           HA       GLN  42  -7.468  -7.973  -1.253
  270    HB2  GLN  42           2HB      GLN  42  -6.367  -6.172   0.052
  271    HB3  GLN  42           1HB      GLN  42  -7.916  -5.375   0.258
  272    HG2  GLN  42           2HG      GLN  42  -8.728  -7.279   1.549
  273    HG3  GLN  42           1HG      GLN  42  -7.174  -8.079   1.357
  274   HE21  GLN  42          1HE2      GLN  42  -8.897  -5.500   2.848
  275   HE22  GLN  42          2HE2      GLN  42  -7.727  -5.120   4.050
  276    H    PHE  43           H        PHE  43  -9.337  -8.810   0.051
  277    HA   PHE  43           HA       PHE  43 -11.708  -8.082  -1.305
  278    HB2  PHE  43           2HB      PHE  43 -11.305 -10.454  -0.843
  279    HB3  PHE  43           1HB      PHE  43 -11.279 -10.133   0.888
  280    HD1  PHE  43           1HD      PHE  43 -13.446 -10.088  -2.111
  281    HD2  PHE  43           2HD      PHE  43 -13.277 -10.131   2.142
  282    HE1  PHE  43           1HE      PHE  43 -15.867 -10.456  -2.013
  283    HE2  PHE  43           2HE      PHE  43 -15.693 -10.499   2.241
  284    HZ   PHE  43           HZ       PHE  43 -16.995 -10.661   0.161
  285    HA   PRO  44           HA       PRO  44 -13.463  -7.516  -1.473
  286    HB2  PRO  44           2HB      PRO  44 -15.683  -6.016  -1.156
  287    HB3  PRO  44           1HB      PRO  44 -15.524  -7.643  -0.490
  288    HG2  PRO  44           2HG      PRO  44 -15.690  -5.119   0.930
  289    HG3  PRO  44           1HG      PRO  44 -15.703  -6.760   1.587
  290    HD2  PRO  44           2HD      PRO  44 -13.454  -4.855   1.348
  291    HD3  PRO  44           1HD      PRO  44 -13.625  -6.268   2.411
  292    H    SER  45           H        SER  45 -11.733  -5.038  -0.502
  293    HA   SER  45           HA       SER  45 -12.325  -3.402  -2.810
  294    HB2  SER  45           2HB      SER  45 -12.203  -1.329  -1.282
  295    HB3  SER  45           1HB      SER  45 -13.704  -2.260  -1.290
  296    HG   SER  45           HG       SER  45 -11.924  -3.208   0.533
  297    H    VAL  46           H        VAL  46 -10.585  -2.271  -3.601
  298    HA   VAL  46           HA       VAL  46  -8.058  -3.284  -2.830
  299    HB   VAL  46           HB       VAL  46  -8.339  -2.839  -5.198
  300   HG11  VAL  46          1HG1      VAL  46  -8.832   0.005  -4.465
  301   HG12  VAL  46          2HG1      VAL  46  -9.988  -1.155  -5.182
  302   HG13  VAL  46          3HG1      VAL  46  -8.557  -0.629  -6.088
  303   HG21  VAL  46          3HG2      VAL  46  -6.087  -2.491  -4.431
  304   HG22  VAL  46          1HG2      VAL  46  -6.461  -0.812  -4.051
  305   HG23  VAL  46          2HG2      VAL  46  -6.474  -1.359  -5.729
  306    H    LYS  47           H        LYS  47  -6.528  -2.573  -1.606
  307    HA   LYS  47           HA       LYS  47  -7.038  -0.061  -0.194
  308    HB2  LYS  47           2HB      LYS  47  -7.791  -2.069   1.072
  309    HB3  LYS  47           1HB      LYS  47  -6.167  -2.712   0.985
  310    HG2  LYS  47           2HG      LYS  47  -5.348  -0.912   2.377
  311    HG3  LYS  47           1HG      LYS  47  -6.949  -0.166   2.382
  312    HD2  LYS  47           2HD      LYS  47  -7.872  -2.140   3.480
  313    HD3  LYS  47           1HD      LYS  47  -6.280  -2.897   3.467
  314    HE2  LYS  47           2HE      LYS  47  -5.409  -1.186   4.916
  315    HE3  LYS  47           1HE      LYS  47  -6.929  -0.298   4.839
  316    HZ1  LYS  47           3HZ      LYS  47  -8.025  -2.113   5.913
  317    HZ2  LYS  47           1HZ      LYS  47  -6.745  -1.595   6.874
  318    HZ3  LYS  47           2HZ      LYS  47  -6.626  -3.024   5.962
  319    H    CYS  48           H        CYS  48  -5.015   0.638   0.979
  320    HA   CYS  48           HA       CYS  48  -2.823   0.686  -0.853
  321    HB2  CYS  48           2HB      CYS  48  -3.512   2.671   0.401
  322    HB3  CYS  48           1HB      CYS  48  -3.186   1.846   1.913
  323    H    PHE  49           H        PHE  49  -1.131  -0.614  -0.848
  324    HA   PHE  49           HA       PHE  49  -0.439  -2.088   1.580
  325    HB2  PHE  49           2HB      PHE  49  -0.508  -3.040  -1.289
  326    HB3  PHE  49           1HB      PHE  49   0.479  -3.808  -0.058
  327    HD1  PHE  49           2HD      PHE  49  -3.106  -2.721  -0.392
  328    HD2  PHE  49           1HD      PHE  49  -0.361  -5.747   0.764
  329    HE1  PHE  49           2HE      PHE  49  -4.978  -4.202   0.193
  330    HE2  PHE  49           1HE      PHE  49  -2.221  -7.227   1.343
  331    HZ   PHE  49           HZ       PHE  49  -4.538  -6.456   1.063
  332    H    CYS  50           H        CYS  50   1.493  -1.530   2.230
  333    HA   CYS  50           HA       CYS  50   3.268   0.069   0.670
  334    HB2  CYS  50           2HB      CYS  50   3.656  -1.300   3.334
  335    HB3  CYS  50           1HB      CYS  50   4.841  -0.236   2.592
  336    H    LYS  51           H        LYS  51   5.101  -0.509  -0.367
  337    HA   LYS  51           HA       LYS  51   5.373  -3.385  -0.855
  338    HB2  LYS  51           2HB      LYS  51   6.679  -1.144  -2.435
  339    HB3  LYS  51           1HB      LYS  51   6.518  -2.828  -2.879
  340    HG2  LYS  51           2HG      LYS  51   4.072  -2.589  -3.035
  341    HG3  LYS  51           1HG      LYS  51   4.220  -0.883  -2.632
  342    HD2  LYS  51           2HD      LYS  51   4.003  -0.980  -4.984
  343    HD3  LYS  51           1HD      LYS  51   5.710  -0.670  -4.678
  344    HE2  LYS  51           2HE      LYS  51   5.591  -2.317  -6.391
  345    HE3  LYS  51           1HE      LYS  51   6.093  -3.148  -4.922
  346    HZ1  LYS  51           3HZ      LYS  51   3.411  -3.193  -6.197
  347    HZ2  LYS  51           1HZ      LYS  51   3.678  -3.812  -4.644
  348    HZ3  LYS  51           2HZ      LYS  51   4.473  -4.468  -5.964
  349    H    ARG  52           H        ARG  52   6.669  -4.218   0.634
  350    HA   ARG  52           HA       ARG  52   9.038  -2.689   1.394
  351    HB2  ARG  52           2HB      ARG  52   9.323  -4.142   3.278
  352    HB3  ARG  52           1HB      ARG  52   7.610  -3.782   3.182
  353    HG2  ARG  52           2HG      ARG  52   7.175  -5.965   2.217
  354    HG3  ARG  52           1HG      ARG  52   8.902  -6.331   2.221
  355    HD2  ARG  52           2HD      ARG  52   8.864  -5.978   4.717
  356    HD3  ARG  52           1HD      ARG  52   7.109  -5.886   4.607
  357    HE   ARG  52           HE       ARG  52   8.400  -8.247   3.508
  358   HH11  ARG  52          1HH1      ARG  52   6.570  -6.865   6.217
  359   HH12  ARG  52          2HH1      ARG  52   6.173  -8.352   6.919
  360   HH21  ARG  52          1HH2      ARG  52   7.903 -10.316   4.506
  361   HH22  ARG  52          2HH2      ARG  52   6.962 -10.386   5.917
  362    H    GLN  53           H        GLN  53  11.123  -3.584   1.239
  363    HA   GLN  53           HA       GLN  53  11.349  -5.177  -1.154
  364    HB2  GLN  53           2HB      GLN  53  12.832  -3.195  -0.677
  365    HB3  GLN  53           1HB      GLN  53  13.596  -4.159   0.584
  366    HG2  GLN  53           2HG      GLN  53  14.141  -5.862  -1.157
  367    HG3  GLN  53           1HG      GLN  53  13.521  -4.742  -2.355
  368   HE21  GLN  53          1HE2      GLN  53  16.147  -5.875  -2.025
  369   HE22  GLN  53          2HE2      GLN  53  17.246  -4.555  -1.922
  370    H    CYS  54           H        CYS  54  11.533  -7.288  -1.159
  371    HA   CYS  54           HA       CYS  54  12.234  -8.563   1.356
  372    HB2  CYS  54           2HB      CYS  54  10.613  -9.605  -0.972
  373    HB3  CYS  54           1HB      CYS  54  11.046 -10.564   0.444
  Start of MODEL    8
    1    H1   ASP   1           1HT      ASP   1  10.258  -5.081  -9.837
    2    H2   ASP   1           2HT      ASP   1  10.075  -6.552  -9.044
    3    H3   ASP   1           3HT      ASP   1   9.044  -6.146 -10.320
    4    HA   ASP   1           HA       ASP   1  10.759  -7.745 -10.982
    5    HB2  ASP   1           2HB      ASP   1  11.078  -4.983 -12.201
    6    HB3  ASP   1           1HB      ASP   1  11.620  -6.486 -12.944
    7    H    GLY   2           H        GLY   2  12.900  -8.306 -11.041
    8    HA2  GLY   2           2HA      GLY   2  15.133  -8.205 -10.453
    9    HA3  GLY   2           1HA      GLY   2  14.910  -6.513  -9.991
   10    H    VAL   3           H        VAL   3  13.580  -6.148  -8.108
   11    HA   VAL   3           HA       VAL   3  14.139  -8.066  -6.010
   12    HB   VAL   3           HB       VAL   3  13.362  -6.199  -4.484
   13   HG11  VAL   3          1HG1      VAL   3  15.738  -6.592  -4.881
   14   HG12  VAL   3          2HG1      VAL   3  15.405  -4.871  -4.693
   15   HG13  VAL   3          3HG1      VAL   3  15.674  -5.544  -6.300
   16   HG21  VAL   3          3HG2      VAL   3  13.267  -3.916  -5.385
   17   HG22  VAL   3          1HG2      VAL   3  12.015  -4.938  -6.092
   18   HG23  VAL   3          2HG2      VAL   3  13.465  -4.550  -7.017
   19    H    LYS   4           H        LYS   4  12.517  -9.051  -4.916
   20    HA   LYS   4           HA       LYS   4   9.862  -8.864  -6.034
   21    HB2  LYS   4           2HB      LYS   4  10.981 -10.665  -3.874
   22    HB3  LYS   4           1HB      LYS   4   9.358 -10.759  -4.537
   23    HG2  LYS   4           2HG      LYS   4  11.941 -11.320  -5.974
   24    HG3  LYS   4           1HG      LYS   4  10.697 -12.484  -5.514
   25    HD2  LYS   4           2HD      LYS   4   9.103 -11.238  -6.989
   26    HD3  LYS   4           1HD      LYS   4  10.475 -10.255  -7.513
   27    HE2  LYS   4           2HE      LYS   4  10.088 -11.980  -9.136
   28    HE3  LYS   4           1HE      LYS   4  11.599 -12.316  -8.294
   29    HZ1  LYS   4           3HZ      LYS   4  10.418 -13.958  -6.945
   30    HZ2  LYS   4           1HZ      LYS   4  10.238 -14.296  -8.591
   31    HZ3  LYS   4           2HZ      LYS   4   8.977 -13.583  -7.741
   32    H    LEU   5           H        LEU   5   8.561  -7.397  -5.252
   33    HA   LEU   5           HA       LEU   5   9.015  -6.504  -2.521
   34    HB2  LEU   5           2HB      LEU   5   7.386  -5.136  -4.666
   35    HB3  LEU   5           1HB      LEU   5   7.850  -4.525  -3.078
   36    HG   LEU   5           HG       LEU   5   9.795  -5.148  -5.272
   37   HD11  LEU   5          1HD1      LEU   5   8.361  -3.267  -5.891
   38   HD12  LEU   5          2HD1      LEU   5  10.006  -2.731  -5.551
   39   HD13  LEU   5          3HD1      LEU   5   8.734  -2.476  -4.358
   40   HD21  LEU   5          3HD2      LEU   5  10.121  -3.768  -2.612
   41   HD22  LEU   5          1HD2      LEU   5  11.362  -3.856  -3.865
   42   HD23  LEU   5          2HD2      LEU   5  10.786  -5.330  -3.095
   43    H    CYS   6           H        CYS   6   7.515  -6.684  -1.096
   44    HA   CYS   6           HA       CYS   6   5.155  -8.232  -1.870
   45    HB2  CYS   6           2HB      CYS   6   6.282  -7.801   0.900
   46    HB3  CYS   6           1HB      CYS   6   4.952  -8.875   0.476
   47    H    ASP   7           H        ASP   7   3.196  -7.410  -1.763
   48    HA   ASP   7           HA       ASP   7   2.875  -4.618  -1.137
   49    HB2  ASP   7           2HB      ASP   7   0.916  -6.715  -2.143
   50    HB3  ASP   7           1HB      ASP   7   0.480  -5.036  -1.903
   51    H    VAL   8           H        VAL   8   2.768  -4.122   0.902
   52    HA   VAL   8           HA       VAL   8   1.427  -5.892   2.844
   53    HB   VAL   8           HB       VAL   8   3.373  -3.614   3.320
   54   HG11  VAL   8          1HG1      VAL   8   3.544  -4.467   5.604
   55   HG12  VAL   8          2HG1      VAL   8   2.303  -5.671   5.249
   56   HG13  VAL   8          3HG1      VAL   8   1.901  -3.954   5.218
   57   HG21  VAL   8          3HG2      VAL   8   3.852  -6.588   3.427
   58   HG22  VAL   8          1HG2      VAL   8   5.018  -5.332   3.843
   59   HG23  VAL   8          2HG2      VAL   8   4.439  -5.482   2.184
   60    HA   PRO   9           HA       PRO   9  -1.894  -2.804   2.811
   61    HB2  PRO   9           2HB      PRO   9  -2.580  -4.102   5.394
   62    HB3  PRO   9           1HB      PRO   9  -3.597  -3.853   3.971
   63    HG2  PRO   9           2HG      PRO   9  -2.662  -6.267   4.602
   64    HG3  PRO   9           1HG      PRO   9  -2.787  -5.742   2.913
   65    HD2  PRO   9           2HD      PRO   9  -0.371  -5.936   4.661
   66    HD3  PRO   9           1HD      PRO   9  -0.559  -6.294   2.931
   67    H    SER  10           H        SER  10  -1.268  -0.806   3.339
   68    HA   SER  10           HA       SER  10   0.475  -0.043   5.366
   69    HB2  SER  10           2HB      SER  10  -1.629   1.687   4.110
   70    HB3  SER  10           1HB      SER  10  -0.001   2.135   4.630
   71    HG   SER  10           HG       SER  10   0.850   1.168   2.917
   72    H    GLY  11           H        GLY  11   0.153   0.547   7.473
   73    HA2  GLY  11           2HA      GLY  11  -2.368  -0.071   8.697
   74    HA3  GLY  11           1HA      GLY  11  -0.919   0.527   9.501
   75    H    THR  12           H        THR  12  -0.602   2.744   7.757
   76    HA   THR  12           HA       THR  12  -2.125   4.662   9.091
   77    HB   THR  12           HB       THR  12   0.041   5.228   8.227
   78    HG1  THR  12           1HG      THR  12  -1.822   6.807   8.207
   79   HG21  THR  12          3HG2      THR  12   0.466   5.496   5.809
   80   HG22  THR  12          1HG2      THR  12  -1.136   4.838   5.469
   81   HG23  THR  12          2HG2      THR  12   0.091   3.823   6.229
   82    H    TRP  13           H        TRP  13  -2.829   2.935   6.132
   83    HA   TRP  13           HA       TRP  13  -4.881   4.946   5.530
   84    HB2  TRP  13           2HB      TRP  13  -3.127   4.498   3.784
   85    HB3  TRP  13           1HB      TRP  13  -3.792   2.872   3.667
   86    HD1  TRP  13           HD       TRP  13  -6.649   2.941   3.002
   87    HE1  TRP  13           1HE      TRP  13  -7.728   4.382   1.148
   88    HE3  TRP  13           3HE      TRP  13  -2.977   6.449   2.425
   89    HZ2  TRP  13           2HZ      TRP  13  -7.100   6.656  -0.358
   90    HZ3  TRP  13           3HZ      TRP  13  -3.288   8.214   0.749
   91    HH2  TRP  13           HH       TRP  13  -5.312   8.315  -0.615
   92    H    SER  14           H        SER  14  -6.727   4.360   6.322
   93    HA   SER  14           HA       SER  14  -7.581   1.581   6.164
   94    HB2  SER  14           2HB      SER  14  -8.657   3.868   7.834
   95    HB3  SER  14           1HB      SER  14  -9.050   2.158   8.004
   96    HG   SER  14           HG       SER  14  -7.201   3.468   9.225
   97    H    GLY  15           H        GLY  15  -9.280   1.189   4.752
   98    HA2  GLY  15           2HA      GLY  15 -11.412   1.822   3.902
   99    HA3  GLY  15           1HA      GLY  15 -10.868   3.490   3.889
  100    H    HIS  16           H        HIS  16 -11.748   3.314   1.713
  101    HA   HIS  16           HA       HIS  16 -10.608   1.686  -0.290
  102    HB2  HIS  16           2HB      HIS  16 -12.862   2.696  -0.479
  103    HB3  HIS  16           1HB      HIS  16 -12.130   4.288  -0.569
  104    HD1  HIS  16           1HD      HIS  16 -12.591   1.150  -2.594
  105    HD2  HIS  16           2HD      HIS  16 -11.173   5.025  -3.053
  106    HE1  HIS  16           1HE      HIS  16 -12.216   1.460  -5.076
  107    H    CYS  17           H        CYS  17  -8.971   1.979  -1.635
  108    HA   CYS  17           HA       CYS  17  -7.449   4.476  -1.410
  109    HB2  CYS  17           2HB      CYS  17  -6.327   2.384  -0.559
  110    HB3  CYS  17           1HB      CYS  17  -6.414   1.743  -2.190
  111    H    GLY  18           H        GLY  18  -7.943   5.646  -3.153
  112    HA2  GLY  18           2HA      GLY  18  -7.796   4.290  -5.762
  113    HA3  GLY  18           1HA      GLY  18  -9.035   5.498  -5.422
  114    H    SER  19           H        SER  19  -5.773   5.649  -4.251
  115    HA   SER  19           HA       SER  19  -4.987   7.633  -6.200
  116    HB2  SER  19           2HB      SER  19  -5.143   8.271  -3.236
  117    HB3  SER  19           1HB      SER  19  -4.515   9.345  -4.485
  118    HG   SER  19           HG       SER  19  -6.741   8.960  -5.433
  119    H    SER  20           H        SER  20  -3.293   6.346  -6.774
  120    HA   SER  20           HA       SER  20  -1.805   4.671  -5.144
  121    HB2  SER  20           2HB      SER  20  -2.007   4.488  -7.604
  122    HB3  SER  20           1HB      SER  20  -0.969   5.897  -7.777
  123    HG   SER  20           HG       SER  20  -0.194   3.485  -7.722
  124    H    SER  21           H        SER  21  -0.865   7.937  -6.325
  125    HA   SER  21           HA       SER  21   1.634   7.843  -5.016
  126    HB2  SER  21           2HB      SER  21   0.128  10.244  -6.068
  127    HB3  SER  21           1HB      SER  21   1.855  10.149  -5.717
  128    HG   SER  21           HG       SER  21   1.992   8.475  -7.249
  129    H    LYS  22           H        LYS  22  -1.547   9.001  -4.092
  130    HA   LYS  22           HA       LYS  22  -0.670  10.333  -1.721
  131    HB2  LYS  22           2HB      LYS  22  -3.381   9.175  -2.401
  132    HB3  LYS  22           1HB      LYS  22  -3.054  10.104  -0.949
  133    HG2  LYS  22           2HG      LYS  22  -2.848  11.098  -3.789
  134    HG3  LYS  22           1HG      LYS  22  -4.113  11.495  -2.623
  135    HD2  LYS  22           2HD      LYS  22  -2.372  12.481  -1.153
  136    HD3  LYS  22           1HD      LYS  22  -1.183  12.181  -2.418
  137    HE2  LYS  22           2HE      LYS  22  -1.892  14.475  -2.529
  138    HE3  LYS  22           1HE      LYS  22  -2.485  13.609  -3.943
  139    HZ1  LYS  22           3HZ      LYS  22  -4.161  15.067  -2.986
  140    HZ2  LYS  22           1HZ      LYS  22  -4.063  14.253  -1.519
  141    HZ3  LYS  22           2HZ      LYS  22  -4.666  13.469  -2.892
  142    H    CYS  23           H        CYS  23  -1.854   7.102  -2.399
  143    HA   CYS  23           HA       CYS  23  -1.693   5.954   0.112
  144    HB2  CYS  23           2HB      CYS  23  -2.673   4.743  -1.713
  145    HB3  CYS  23           1HB      CYS  23  -1.208   4.868  -2.665
  146    H    SER  24           H        SER  24   0.787   6.186  -2.418
  147    HA   SER  24           HA       SER  24   2.865   4.962  -1.060
  148    HB2  SER  24           2HB      SER  24   2.743   5.578  -3.521
  149    HB3  SER  24           1HB      SER  24   3.160   7.223  -3.022
  150    HG   SER  24           HG       SER  24   5.120   6.523  -3.233
  151    H    GLN  25           H        GLN  25   2.023   8.433  -1.251
  152    HA   GLN  25           HA       GLN  25   4.217   9.300   0.263
  153    HB2  GLN  25           2HB      GLN  25   2.896  10.767  -1.229
  154    HB3  GLN  25           1HB      GLN  25   1.560  10.688  -0.091
  155    HG2  GLN  25           2HG      GLN  25   2.803  12.762   0.168
  156    HG3  GLN  25           1HG      GLN  25   2.931  11.762   1.613
  157   HE21  GLN  25          1HE2      GLN  25   4.896  10.816   2.126
  158   HE22  GLN  25          2HE2      GLN  25   6.385  11.287   1.396
  159    H    GLN  26           H        GLN  26   0.885   8.530   1.227
  160    HA   GLN  26           HA       GLN  26   1.236   9.337   3.923
  161    HB2  GLN  26           2HB      GLN  26  -0.951   8.827   2.536
  162    HB3  GLN  26           1HB      GLN  26  -0.716   7.197   3.149
  163    HG2  GLN  26           2HG      GLN  26  -0.756   8.074   5.448
  164    HG3  GLN  26           1HG      GLN  26  -1.056   9.690   4.807
  165   HE21  GLN  26          1HE2      GLN  26  -2.387   6.671   5.581
  166   HE22  GLN  26          2HE2      GLN  26  -4.036   7.022   5.182
  167    H    CYS  27           H        CYS  27   1.595   6.282   2.191
  168    HA   CYS  27           HA       CYS  27   2.181   4.598   4.334
  169    HB2  CYS  27           2HB      CYS  27   1.775   3.590   2.214
  170    HB3  CYS  27           1HB      CYS  27   3.024   4.554   1.437
  171    H    LYS  28           H        LYS  28   4.421   6.334   2.166
  172    HA   LYS  28           HA       LYS  28   6.771   5.627   3.520
  173    HB2  LYS  28           2HB      LYS  28   6.169   7.999   1.761
  174    HB3  LYS  28           1HB      LYS  28   7.772   7.580   2.343
  175    HG2  LYS  28           2HG      LYS  28   7.706   5.486   1.129
  176    HG3  LYS  28           1HG      LYS  28   6.044   5.806   0.632
  177    HD2  LYS  28           2HD      LYS  28   7.669   6.308  -1.165
  178    HD3  LYS  28           1HD      LYS  28   6.763   7.733  -0.659
  179    HE2  LYS  28           2HE      LYS  28   8.645   8.456   0.712
  180    HE3  LYS  28           1HE      LYS  28   9.547   7.010   0.258
  181    HZ1  LYS  28           3HZ      LYS  28  10.203   8.983  -0.986
  182    HZ2  LYS  28           1HZ      LYS  28   8.652   9.133  -1.623
  183    HZ3  LYS  28           2HZ      LYS  28   9.617   7.795  -2.002
  184    H    ASP  29           H        ASP  29   4.461   8.165   4.156
  185    HA   ASP  29           HA       ASP  29   6.201   9.674   5.844
  186    HB2  ASP  29           2HB      ASP  29   4.259  10.713   4.757
  187    HB3  ASP  29           1HB      ASP  29   3.183   9.693   5.704
  188    H    ARG  30           H        ARG  30   3.501   7.470   6.518
  189    HA   ARG  30           HA       ARG  30   4.029   7.567   9.355
  190    HB2  ARG  30           2HB      ARG  30   2.031   6.090   7.701
  191    HB3  ARG  30           1HB      ARG  30   2.288   5.662   9.379
  192    HG2  ARG  30           2HG      ARG  30   0.372   7.107   9.152
  193    HG3  ARG  30           1HG      ARG  30   1.641   7.928  10.052
  194    HD2  ARG  30           2HD      ARG  30   2.111   9.339   8.201
  195    HD3  ARG  30           1HD      ARG  30   1.160   8.331   7.106
  196    HE   ARG  30           HE       ARG  30  -0.742   8.976   8.701
  197   HH11  ARG  30          1HH1      ARG  30   1.865  11.223   7.844
  198   HH12  ARG  30          2HH1      ARG  30   0.850  12.589   7.866
  199   HH21  ARG  30          1HH2      ARG  30  -2.076  10.807   8.742
  200   HH22  ARG  30          2HH2      ARG  30  -1.468  12.373   8.397
  201    H    GLU  31           H        GLU  31   4.028   4.914   7.002
  202    HA   GLU  31           HA       GLU  31   5.625   3.281   8.777
  203    HB2  GLU  31           2HB      GLU  31   4.223   2.849   6.141
  204    HB3  GLU  31           1HB      GLU  31   5.487   1.749   6.640
  205    HG2  GLU  31           2HG      GLU  31   3.305   0.820   7.134
  206    HG3  GLU  31           1HG      GLU  31   4.175   1.137   8.620
  207    H    HIS  32           H        HIS  32   7.530   2.124   7.460
  208    HA   HIS  32           HA       HIS  32   8.845   4.202   5.892
  209    HB2  HIS  32           2HB      HIS  32   9.976   3.977   8.103
  210    HB3  HIS  32           1HB      HIS  32  10.235   2.270   7.772
  211    HD1  HIS  32           1HD      HIS  32  11.706   5.642   7.118
  212    HD2  HIS  32           2HD      HIS  32  12.206   1.745   5.753
  213    HE1  HIS  32           1HE      HIS  32  13.916   5.608   5.915
  214    H    PHE  33           H        PHE  33   8.038   3.355   4.059
  215    HA   PHE  33           HA       PHE  33   9.524   1.032   3.195
  216    HB2  PHE  33           2HB      PHE  33   6.630   1.622   2.488
  217    HB3  PHE  33           1HB      PHE  33   7.607   0.393   1.696
  218    HD1  PHE  33           2HD      PHE  33   8.545  -1.494   3.160
  219    HD2  PHE  33           1HD      PHE  33   5.441   1.111   4.442
  220    HE1  PHE  33           2HE      PHE  33   7.899  -3.117   4.895
  221    HE2  PHE  33           1HE      PHE  33   4.796  -0.506   6.173
  222    HZ   PHE  33           HZ       PHE  33   6.021  -2.625   6.399
  223    H    ALA  34           H        ALA  34  11.032   1.965   2.122
  224    HA   ALA  34           HA       ALA  34  10.858   4.433   0.780
  225    HB1  ALA  34           1HB      ALA  34  12.938   2.277   0.490
  226    HB2  ALA  34           2HB      ALA  34  12.940   3.558   1.705
  227    HB3  ALA  34           3HB      ALA  34  13.113   3.959  -0.005
  228    H    TYR  35           H        TYR  35   9.872   1.380  -0.222
  229    HA   TYR  35           HA       TYR  35  10.195   1.963  -3.034
  230    HB2  TYR  35           2HB      TYR  35   8.992  -0.397  -1.594
  231    HB3  TYR  35           1HB      TYR  35   8.983  -0.229  -3.345
  232    HD1  TYR  35           1HD      TYR  35  11.046  -0.378  -4.608
  233    HD2  TYR  35           2HD      TYR  35  11.027  -0.967  -0.400
  234    HE1  TYR  35           1HE      TYR  35  13.256  -1.390  -4.759
  235    HE2  TYR  35           2HE      TYR  35  13.249  -1.981  -0.527
  236    HH   TYR  35           HH       TYR  35  14.677  -3.115  -2.200
  237    H    GLY  36           H        GLY  36   8.074   2.846  -0.666
  238    HA2  GLY  36           2HA      GLY  36   6.266   4.217  -0.891
  239    HA3  GLY  36           1HA      GLY  36   6.281   3.927  -2.623
  240    H    GLY  37           H        GLY  37   4.014   3.789  -2.447
  241    HA2  GLY  37           2HA      GLY  37   3.142   1.086  -1.898
  242    HA3  GLY  37           1HA      GLY  37   2.345   2.368  -0.982
  243    H    ALA  38           H        ALA  38   0.833   0.848  -2.569
  244    HA   ALA  38           HA       ALA  38  -0.161   2.769  -4.450
  245    HB1  ALA  38           1HB      ALA  38  -0.216   1.229  -6.337
  246    HB2  ALA  38           2HB      ALA  38   0.627   0.006  -5.391
  247    HB3  ALA  38           3HB      ALA  38   1.453   1.501  -5.833
  248    H    CYS  39           H        CYS  39  -2.303   2.012  -5.249
  249    HA   CYS  39           HA       CYS  39  -3.676   0.782  -3.040
  250    HB2  CYS  39           2HB      CYS  39  -4.746   1.800  -5.673
  251    HB3  CYS  39           1HB      CYS  39  -5.693   1.414  -4.245
  252    H    HIS  40           H        HIS  40  -4.183  -1.307  -2.975
  253    HA   HIS  40           HA       HIS  40  -4.140  -2.811  -5.494
  254    HB2  HIS  40           2HB      HIS  40  -2.012  -3.208  -4.303
  255    HB3  HIS  40           1HB      HIS  40  -2.894  -3.644  -2.855
  256    HD1  HIS  40           1HD      HIS  40  -3.817  -6.073  -2.727
  257    HD2  HIS  40           2HD      HIS  40  -1.889  -5.157  -6.284
  258    HE1  HIS  40           1HE      HIS  40  -3.501  -8.272  -3.932
  259    H    TYR  41           H        TYR  41  -5.766  -4.138  -5.813
  260    HA   TYR  41           HA       TYR  41  -7.819  -4.260  -3.763
  261    HB2  TYR  41           2HB      TYR  41  -8.301  -3.756  -6.255
  262    HB3  TYR  41           1HB      TYR  41  -7.971  -5.465  -6.518
  263    HD1  TYR  41           2HD      TYR  41  -9.414  -7.184  -5.129
  264    HD2  TYR  41           1HD      TYR  41 -10.435  -3.074  -5.599
  265    HE1  TYR  41           2HE      TYR  41 -11.710  -7.680  -4.485
  266    HE2  TYR  41           1HE      TYR  41 -12.719  -3.562  -4.950
  267    HH   TYR  41           HH       TYR  41 -13.678  -6.458  -3.524
  268    H    GLN  42           H        GLN  42  -7.692  -5.806  -2.425
  269    HA   GLN  42           HA       GLN  42  -6.818  -8.428  -3.369
  270    HB2  GLN  42           2HB      GLN  42  -5.143  -7.301  -1.840
  271    HB3  GLN  42           1HB      GLN  42  -6.397  -7.233  -0.613
  272    HG2  GLN  42           2HG      GLN  42  -6.533  -9.651  -0.623
  273    HG3  GLN  42           1HG      GLN  42  -5.244  -9.758  -1.804
  274   HE21  GLN  42          1HE2      GLN  42  -3.790 -10.842  -0.419
  275   HE22  GLN  42          2HE2      GLN  42  -3.139 -10.081   0.984
  276    H    PHE  43           H        PHE  43  -7.894 -10.044  -1.800
  277    HA   PHE  43           HA       PHE  43 -10.546  -9.396  -1.622
  278    HB2  PHE  43           2HB      PHE  43  -9.896 -11.677  -1.874
  279    HB3  PHE  43           1HB      PHE  43  -8.998 -11.661  -0.359
  280    HD1  PHE  43           2HD      PHE  43 -12.418 -11.395  -1.767
  281    HD2  PHE  43           1HD      PHE  43 -10.031 -12.302   1.635
  282    HE1  PHE  43           2HE      PHE  43 -14.405 -12.212  -0.591
  283    HE2  PHE  43           1HE      PHE  43 -12.017 -13.118   2.815
  284    HZ   PHE  43           HZ       PHE  43 -14.206 -13.077   1.706
  285    HA   PRO  44           HA       PRO  44 -12.194  -8.949  -0.878
  286    HB2  PRO  44           2HB      PRO  44 -14.083  -7.740   0.553
  287    HB3  PRO  44           1HB      PRO  44 -13.551  -9.385   0.909
  288    HG2  PRO  44           2HG      PRO  44 -13.119  -6.927   2.455
  289    HG3  PRO  44           1HG      PRO  44 -12.957  -8.613   2.962
  290    HD2  PRO  44           2HD      PRO  44 -10.881  -6.749   2.079
  291    HD3  PRO  44           1HD      PRO  44 -10.698  -8.338   2.850
  292    H    SER  45           H        SER  45 -10.419  -6.199  -0.045
  293    HA   SER  45           HA       SER  45 -11.919  -4.564  -1.921
  294    HB2  SER  45           2HB      SER  45 -11.778  -2.653  -0.194
  295    HB3  SER  45           1HB      SER  45 -13.030  -3.876   0.009
  296    HG   SER  45           HG       SER  45 -10.499  -3.919   1.320
  297    H    VAL  46           H        VAL  46 -10.772  -2.432  -2.357
  298    HA   VAL  46           HA       VAL  46  -7.912  -2.909  -2.494
  299    HB   VAL  46           HB       VAL  46  -8.842  -2.227  -4.647
  300   HG11  VAL  46          1HG1      VAL  46  -9.836   0.220  -3.269
  301   HG12  VAL  46          2HG1      VAL  46 -10.800  -1.093  -3.997
  302   HG13  VAL  46          3HG1      VAL  46  -9.785  -0.053  -5.011
  303   HG21  VAL  46          3HG2      VAL  46  -6.611  -1.404  -4.199
  304   HG22  VAL  46          1HG2      VAL  46  -7.283   0.047  -3.459
  305   HG23  VAL  46          2HG2      VAL  46  -7.516  -0.250  -5.182
  306    H    LYS  47           H        LYS  47  -6.560  -2.209  -1.267
  307    HA   LYS  47           HA       LYS  47  -7.196   0.079   0.484
  308    HB2  LYS  47           2HB      LYS  47  -7.334  -2.325   1.466
  309    HB3  LYS  47           1HB      LYS  47  -5.593  -2.345   1.304
  310    HG2  LYS  47           2HG      LYS  47  -5.398  -0.510   2.906
  311    HG3  LYS  47           1HG      LYS  47  -7.167  -0.415   3.019
  312    HD2  LYS  47           2HD      LYS  47  -7.100  -2.855   3.663
  313    HD3  LYS  47           1HD      LYS  47  -5.360  -2.671   3.815
  314    HE2  LYS  47           2HE      LYS  47  -7.392  -1.055   5.354
  315    HE3  LYS  47           1HE      LYS  47  -6.610  -2.531   5.901
  316    HZ1  LYS  47           3HZ      LYS  47  -5.288   0.120   5.464
  317    HZ2  LYS  47           1HZ      LYS  47  -4.440  -1.330   5.754
  318    HZ3  LYS  47           2HZ      LYS  47  -5.498  -0.770   6.865
  319    H    CYS  48           H        CYS  48  -4.863   0.571   1.577
  320    HA   CYS  48           HA       CYS  48  -3.129   1.162  -0.688
  321    HB2  CYS  48           2HB      CYS  48  -3.734   2.908   1.010
  322    HB3  CYS  48           1HB      CYS  48  -2.959   1.905   2.223
  323    H    PHE  49           H        PHE  49  -1.378  -0.062  -1.088
  324    HA   PHE  49           HA       PHE  49  -0.437  -1.825   1.043
  325    HB2  PHE  49           2HB      PHE  49  -0.807  -2.441  -1.889
  326    HB3  PHE  49           1HB      PHE  49   0.248  -3.372  -0.841
  327    HD1  PHE  49           1HD      PHE  49  -3.301  -2.171  -0.938
  328    HD2  PHE  49           2HD      PHE  49  -0.605  -5.286   0.099
  329    HE1  PHE  49           1HE      PHE  49  -5.195  -3.613  -0.318
  330    HE2  PHE  49           2HE      PHE  49  -2.493  -6.714   0.726
  331    HZ   PHE  49           HZ       PHE  49  -4.782  -5.884   0.524
  332    H    CYS  50           H        CYS  50   1.486  -1.380   1.591
  333    HA   CYS  50           HA       CYS  50   3.238   0.315   0.058
  334    HB2  CYS  50           2HB      CYS  50   3.637  -1.157   2.659
  335    HB3  CYS  50           1HB      CYS  50   4.740   0.030   1.980
  336    H    LYS  51           H        LYS  51   5.261  -0.335  -0.714
  337    HA   LYS  51           HA       LYS  51   5.444  -3.183  -1.345
  338    HB2  LYS  51           2HB      LYS  51   6.922  -0.786  -2.423
  339    HB3  LYS  51           1HB      LYS  51   7.180  -2.441  -2.939
  340    HG2  LYS  51           2HG      LYS  51   4.939  -2.527  -3.855
  341    HG3  LYS  51           1HG      LYS  51   4.617  -0.895  -3.250
  342    HD2  LYS  51           2HD      LYS  51   6.361   0.012  -4.638
  343    HD3  LYS  51           1HD      LYS  51   6.812  -1.597  -5.192
  344    HE2  LYS  51           2HE      LYS  51   5.505  -0.401  -6.864
  345    HE3  LYS  51           1HE      LYS  51   4.657  -1.829  -6.296
  346    HZ1  LYS  51           3HZ      LYS  51   4.131   0.981  -5.490
  347    HZ2  LYS  51           1HZ      LYS  51   3.320  -0.379  -4.863
  348    HZ3  LYS  51           2HZ      LYS  51   3.185   0.016  -6.492
  349    H    ARG  52           H        ARG  52   6.562  -4.257   0.183
  350    HA   ARG  52           HA       ARG  52   8.941  -2.927   1.260
  351    HB2  ARG  52           2HB      ARG  52   9.079  -4.629   2.966
  352    HB3  ARG  52           1HB      ARG  52   7.445  -3.982   2.944
  353    HG2  ARG  52           2HG      ARG  52   6.568  -5.925   1.997
  354    HG3  ARG  52           1HG      ARG  52   8.158  -6.492   1.480
  355    HD2  ARG  52           2HD      ARG  52   7.326  -6.147   4.340
  356    HD3  ARG  52           1HD      ARG  52   7.253  -7.687   3.477
  357    HE   ARG  52           HE       ARG  52   9.754  -7.228   3.110
  358   HH11  ARG  52          1HH1      ARG  52   8.014  -6.274   6.064
  359   HH12  ARG  52          2HH1      ARG  52   9.375  -6.492   7.068
  360   HH21  ARG  52          1HH2      ARG  52  11.578  -7.562   4.524
  361   HH22  ARG  52          2HH2      ARG  52  11.435  -7.246   6.185
  362    H    GLN  53           H        GLN  53  10.878  -4.246   1.454
  363    HA   GLN  53           HA       GLN  53  11.361  -5.547  -1.079
  364    HB2  GLN  53           2HB      GLN  53  12.833  -3.843   0.394
  365    HB3  GLN  53           1HB      GLN  53  13.391  -5.347   1.095
  366    HG2  GLN  53           2HG      GLN  53  13.569  -4.568  -1.808
  367    HG3  GLN  53           1HG      GLN  53  14.891  -4.558  -0.649
  368   HE21  GLN  53          1HE2      GLN  53  15.718  -6.514   0.033
  369   HE22  GLN  53          2HE2      GLN  53  15.451  -7.969  -0.851
  370    H    CYS  54           H        CYS  54  11.433  -7.737  -1.253
  371    HA   CYS  54           HA       CYS  54  11.690  -9.294   1.194
  372    HB2  CYS  54           2HB      CYS  54   9.909  -9.879  -1.194
  373    HB3  CYS  54           1HB      CYS  54  10.163 -10.975   0.161
  Start of MODEL    9
    1    H1   ASP   1           1HT      ASP   1  11.154  -1.803 -12.049
    2    H2   ASP   1           2HT      ASP   1  10.958  -2.581 -10.542
    3    H3   ASP   1           3HT      ASP   1   9.725  -2.630 -11.684
    4    HA   ASP   1           HA       ASP   1  11.025  -3.929 -13.177
    5    HB2  ASP   1           2HB      ASP   1  13.227  -2.960 -12.026
    6    HB3  ASP   1           1HB      ASP   1  12.998  -4.311 -10.933
    7    H    GLY   2           H        GLY   2  11.680  -6.376 -12.324
    8    HA2  GLY   2           2HA      GLY   2   9.360  -7.093 -10.728
    9    HA3  GLY   2           1HA      GLY   2  10.384  -8.184 -11.656
   10    H    VAL   3           H        VAL   3  11.093  -5.808  -9.174
   11    HA   VAL   3           HA       VAL   3  12.881  -7.652  -7.863
   12    HB   VAL   3           HB       VAL   3  13.431  -5.162  -8.033
   13   HG11  VAL   3          1HG1      VAL   3  11.220  -4.255  -7.746
   14   HG12  VAL   3          2HG1      VAL   3  12.383  -3.558  -6.615
   15   HG13  VAL   3          3HG1      VAL   3  11.243  -4.775  -6.057
   16   HG21  VAL   3          3HG2      VAL   3  13.215  -6.209  -5.211
   17   HG22  VAL   3          1HG2      VAL   3  14.243  -4.876  -5.738
   18   HG23  VAL   3          2HG2      VAL   3  14.546  -6.510  -6.328
   19    H    LYS   4           H        LYS   4  12.531  -8.460  -5.721
   20    HA   LYS   4           HA       LYS   4   9.798  -9.105  -5.291
   21    HB2  LYS   4           2HB      LYS   4  12.186  -9.695  -3.541
   22    HB3  LYS   4           1HB      LYS   4  10.583 -10.380  -3.340
   23    HG2  LYS   4           2HG      LYS   4  12.402 -10.790  -5.702
   24    HG3  LYS   4           1HG      LYS   4  12.075 -11.953  -4.419
   25    HD2  LYS   4           2HD      LYS   4   9.728 -12.036  -5.084
   26    HD3  LYS   4           1HD      LYS   4  10.042 -10.817  -6.322
   27    HE2  LYS   4           2HE      LYS   4  11.563 -12.328  -7.459
   28    HE3  LYS   4           1HE      LYS   4  11.303 -13.552  -6.220
   29    HZ1  LYS   4           3HZ      LYS   4   9.000 -13.672  -6.849
   30    HZ2  LYS   4           1HZ      LYS   4   9.972 -13.950  -8.194
   31    HZ3  LYS   4           2HZ      LYS   4   9.208 -12.457  -8.017
   32    H    LEU   5           H        LEU   5   8.624  -7.403  -4.832
   33    HA   LEU   5           HA       LEU   5   9.192  -6.075  -2.285
   34    HB2  LEU   5           2HB      LEU   5   7.225  -5.172  -4.382
   35    HB3  LEU   5           1HB      LEU   5   7.739  -4.363  -2.922
   36    HG   LEU   5           HG       LEU   5   9.520  -4.916  -5.233
   37   HD11  LEU   5          1HD1      LEU   5   7.753  -3.354  -5.836
   38   HD12  LEU   5          2HD1      LEU   5   9.289  -2.487  -5.682
   39   HD13  LEU   5          3HD1      LEU   5   8.089  -2.409  -4.385
   40   HD21  LEU   5          3HD2      LEU   5   9.881  -3.228  -2.758
   41   HD22  LEU   5          1HD2      LEU   5  11.002  -3.280  -4.120
   42   HD23  LEU   5          2HD2      LEU   5  10.728  -4.726  -3.154
   43    H    CYS   6           H        CYS   6   7.973  -6.596  -0.782
   44    HA   CYS   6           HA       CYS   6   5.629  -8.195  -1.397
   45    HB2  CYS   6           2HB      CYS   6   7.275  -8.046   1.118
   46    HB3  CYS   6           1HB      CYS   6   5.728  -8.887   1.039
   47    H    ASP   7           H        ASP   7   3.698  -7.647  -0.878
   48    HA   ASP   7           HA       ASP   7   3.273  -4.872  -0.286
   49    HB2  ASP   7           2HB      ASP   7   1.394  -7.077  -1.121
   50    HB3  ASP   7           1HB      ASP   7   0.871  -5.428  -0.827
   51    H    VAL   8           H        VAL   8   2.980  -4.151   1.583
   52    HA   VAL   8           HA       VAL   8   1.856  -5.827   3.726
   53    HB   VAL   8           HB       VAL   8   3.587  -3.332   3.947
   54   HG11  VAL   8          1HG1      VAL   8   3.845  -3.928   6.279
   55   HG12  VAL   8          2HG1      VAL   8   2.732  -5.283   6.065
   56   HG13  VAL   8          3HG1      VAL   8   2.154  -3.619   5.872
   57   HG21  VAL   8          3HG2      VAL   8   5.409  -4.805   4.652
   58   HG22  VAL   8          1HG2      VAL   8   4.880  -5.176   3.011
   59   HG23  VAL   8          2HG2      VAL   8   4.393  -6.213   4.353
   60    HA   PRO   9           HA       PRO   9  -1.542  -2.981   2.794
   61    HB2  PRO   9           2HB      PRO   9  -3.289  -3.957   4.645
   62    HB3  PRO   9           1HB      PRO   9  -3.020  -4.693   3.064
   63    HG2  PRO   9           2HG      PRO   9  -1.906  -5.469   5.724
   64    HG3  PRO   9           1HG      PRO   9  -2.502  -6.505   4.416
   65    HD2  PRO   9           2HD      PRO   9   0.127  -6.091   4.866
   66    HD3  PRO   9           1HD      PRO   9  -0.524  -6.354   3.234
   67    H    SER  10           H        SER  10  -1.795  -0.948   3.512
   68    HA   SER  10           HA       SER  10  -0.848  -0.121   6.050
   69    HB2  SER  10           2HB      SER  10  -2.592   1.296   4.029
   70    HB3  SER  10           1HB      SER  10  -1.740   2.057   5.369
   71    HG   SER  10           HG       SER  10   0.127   0.793   4.084
   72    H    GLY  11           H        GLY  11  -1.955  -0.297   7.914
   73    HA2  GLY  11           2HA      GLY  11  -4.769  -0.956   7.918
   74    HA3  GLY  11           1HA      GLY  11  -3.712  -0.833   9.322
   75    H    THR  12           H        THR  12  -2.674   1.694   8.745
   76    HA   THR  12           HA       THR  12  -4.587   3.380   9.879
   77    HB   THR  12           HB       THR  12  -2.313   3.920  10.284
   78    HG1  THR  12           1HG      THR  12  -3.272   5.814  10.250
   79   HG21  THR  12          3HG2      THR  12  -0.695   4.536   8.537
   80   HG22  THR  12          1HG2      THR  12  -1.916   4.197   7.311
   81   HG23  THR  12          2HG2      THR  12  -1.303   2.893   8.322
   82    H    TRP  13           H        TRP  13  -3.670   2.921   6.477
   83    HA   TRP  13           HA       TRP  13  -5.504   4.862   5.480
   84    HB2  TRP  13           2HB      TRP  13  -3.569   3.919   4.144
   85    HB3  TRP  13           1HB      TRP  13  -4.410   2.379   4.111
   86    HD1  TRP  13           HD       TRP  13  -7.002   2.591   2.799
   87    HE1  TRP  13           1HE      TRP  13  -7.493   3.801   0.573
   88    HE3  TRP  13           3HE      TRP  13  -2.937   5.674   2.630
   89    HZ2  TRP  13           2HZ      TRP  13  -6.294   5.779  -1.049
   90    HZ3  TRP  13           3HZ      TRP  13  -2.673   7.187   0.700
   91    HH2  TRP  13           HH       TRP  13  -4.326   7.229  -1.099
   92    H    SER  14           H        SER  14  -7.602   4.624   5.991
   93    HA   SER  14           HA       SER  14  -8.677   1.929   6.054
   94    HB2  SER  14           2HB      SER  14 -10.576   3.087   7.281
   95    HB3  SER  14           1HB      SER  14  -9.026   2.996   8.120
   96    HG   SER  14           HG       SER  14  -9.433   5.218   6.519
   97    H    GLY  15           H        GLY  15  -9.471   1.367   4.126
   98    HA2  GLY  15           2HA      GLY  15 -11.639   1.717   2.979
   99    HA3  GLY  15           1HA      GLY  15 -11.099   3.377   2.768
  100    H    HIS  16           H        HIS  16 -11.614   2.731   0.594
  101    HA   HIS  16           HA       HIS  16 -10.001   0.952  -0.897
  102    HB2  HIS  16           2HB      HIS  16 -12.266   1.502  -1.584
  103    HB3  HIS  16           1HB      HIS  16 -11.854   3.202  -1.726
  104    HD1  HIS  16           1HD      HIS  16 -11.008  -0.118  -3.371
  105    HD2  HIS  16           2HD      HIS  16 -11.072   3.954  -4.189
  106    HE1  HIS  16           1HE      HIS  16 -10.337   0.136  -5.797
  107    H    CYS  17           H        CYS  17  -8.397   1.405  -2.392
  108    HA   CYS  17           HA       CYS  17  -6.927   3.930  -2.045
  109    HB2  CYS  17           2HB      CYS  17  -5.722   1.816  -1.500
  110    HB3  CYS  17           1HB      CYS  17  -5.987   1.280  -3.151
  111    H    GLY  18           H        GLY  18  -7.520   5.290  -3.641
  112    HA2  GLY  18           2HA      GLY  18  -7.419   4.196  -6.360
  113    HA3  GLY  18           1HA      GLY  18  -8.661   5.351  -5.879
  114    H    SER  19           H        SER  19  -5.372   5.384  -4.768
  115    HA   SER  19           HA       SER  19  -4.595   7.513  -6.532
  116    HB2  SER  19           2HB      SER  19  -4.874   7.972  -3.547
  117    HB3  SER  19           1HB      SER  19  -4.141   9.113  -4.671
  118    HG   SER  19           HG       SER  19  -6.536   8.263  -5.515
  119    H    SER  20           H        SER  20  -2.714   6.633  -7.177
  120    HA   SER  20           HA       SER  20  -1.289   4.765  -5.652
  121    HB2  SER  20           2HB      SER  20  -0.384   6.231  -8.127
  122    HB3  SER  20           1HB      SER  20   0.224   4.691  -7.515
  123    HG   SER  20           HG       SER  20  -1.946   5.209  -9.025
  124    H    SER  21           H        SER  21  -0.433   8.149  -6.560
  125    HA   SER  21           HA       SER  21   2.049   8.084  -5.240
  126    HB2  SER  21           2HB      SER  21   0.330  10.461  -5.987
  127    HB3  SER  21           1HB      SER  21   2.003  10.552  -5.443
  128    HG   SER  21           HG       SER  21   1.496   8.808  -7.526
  129    H    LYS  22           H        LYS  22  -1.147   9.084  -4.183
  130    HA   LYS  22           HA       LYS  22  -0.317  10.094  -1.696
  131    HB2  LYS  22           2HB      LYS  22  -2.996   8.976  -2.526
  132    HB3  LYS  22           1HB      LYS  22  -2.698   9.789  -0.997
  133    HG2  LYS  22           2HG      LYS  22  -2.058  11.817  -2.198
  134    HG3  LYS  22           1HG      LYS  22  -2.364  11.011  -3.730
  135    HD2  LYS  22           2HD      LYS  22  -4.715  10.715  -3.088
  136    HD3  LYS  22           1HD      LYS  22  -4.400  11.544  -1.567
  137    HE2  LYS  22           2HE      LYS  22  -4.102  12.717  -4.333
  138    HE3  LYS  22           1HE      LYS  22  -5.404  13.060  -3.203
  139    HZ1  LYS  22           3HZ      LYS  22  -3.664  13.959  -1.668
  140    HZ2  LYS  22           1HZ      LYS  22  -3.826  14.818  -3.112
  141    HZ3  LYS  22           2HZ      LYS  22  -2.544  13.770  -2.923
  142    H    CYS  23           H        CYS  23  -1.176   6.858  -2.767
  143    HA   CYS  23           HA       CYS  23  -1.111   5.679  -0.207
  144    HB2  CYS  23           2HB      CYS  23  -2.137   4.513  -2.075
  145    HB3  CYS  23           1HB      CYS  23  -0.610   4.495  -2.945
  146    H    SER  24           H        SER  24   1.375   6.129  -2.712
  147    HA   SER  24           HA       SER  24   3.485   4.821  -1.451
  148    HB2  SER  24           2HB      SER  24   3.593   7.266  -3.233
  149    HB3  SER  24           1HB      SER  24   4.919   6.138  -2.937
  150    HG   SER  24           HG       SER  24   2.839   4.708  -3.740
  151    H    GLN  25           H        GLN  25   2.606   8.255  -1.433
  152    HA   GLN  25           HA       GLN  25   4.602   9.145   0.326
  153    HB2  GLN  25           2HB      GLN  25   1.905  10.283  -0.390
  154    HB3  GLN  25           1HB      GLN  25   3.118  11.145   0.543
  155    HG2  GLN  25           2HG      GLN  25   4.599  11.242  -1.293
  156    HG3  GLN  25           1HG      GLN  25   3.658  10.063  -2.202
  157   HE21  GLN  25          1HE2      GLN  25   3.528  11.493  -3.916
  158   HE22  GLN  25          2HE2      GLN  25   2.478  12.866  -3.895
  159    H    GLN  26           H        GLN  26   1.286   8.048   0.906
  160    HA   GLN  26           HA       GLN  26   1.129   8.760   3.632
  161    HB2  GLN  26           2HB      GLN  26  -0.843   8.192   2.226
  162    HB3  GLN  26           1HB      GLN  26  -0.290   6.538   2.139
  163    HG2  GLN  26           2HG      GLN  26  -0.865   7.778   4.793
  164    HG3  GLN  26           1HG      GLN  26  -2.191   7.224   3.786
  165   HE21  GLN  26          1HE2      GLN  26  -0.799   4.858   2.740
  166   HE22  GLN  26          2HE2      GLN  26  -0.646   3.773   4.047
  167    H    CYS  27           H        CYS  27   2.067   5.656   2.185
  168    HA   CYS  27           HA       CYS  27   2.493   4.720   4.843
  169    HB2  CYS  27           2HB      CYS  27   1.739   3.224   2.971
  170    HB3  CYS  27           1HB      CYS  27   3.384   3.314   2.336
  171    H    LYS  28           H        LYS  28   4.483   6.152   2.375
  172    HA   LYS  28           HA       LYS  28   6.946   5.370   3.564
  173    HB2  LYS  28           2HB      LYS  28   6.661   6.098   1.161
  174    HB3  LYS  28           1HB      LYS  28   6.456   7.740   1.753
  175    HG2  LYS  28           2HG      LYS  28   8.671   7.729   2.672
  176    HG3  LYS  28           1HG      LYS  28   8.901   6.046   2.197
  177    HD2  LYS  28           2HD      LYS  28  10.019   7.395   0.594
  178    HD3  LYS  28           1HD      LYS  28   8.553   6.788  -0.173
  179    HE2  LYS  28           2HE      LYS  28   7.440   8.907   0.188
  180    HE3  LYS  28           1HE      LYS  28   8.842   9.520   1.066
  181    HZ1  LYS  28           3HZ      LYS  28   8.830   8.712  -1.786
  182    HZ2  LYS  28           1HZ      LYS  28  10.143   9.348  -0.962
  183    HZ3  LYS  28           2HZ      LYS  28   8.776  10.294  -1.249
  184    H    ASP  29           H        ASP  29   4.688   7.967   4.051
  185    HA   ASP  29           HA       ASP  29   6.395   9.515   5.753
  186    HB2  ASP  29           2HB      ASP  29   4.447  10.588   4.701
  187    HB3  ASP  29           1HB      ASP  29   3.372   9.492   5.564
  188    H    ARG  30           H        ARG  30   3.758   7.237   6.272
  189    HA   ARG  30           HA       ARG  30   3.934   7.421   9.086
  190    HB2  ARG  30           2HB      ARG  30   2.710   5.161   7.499
  191    HB3  ARG  30           1HB      ARG  30   2.478   5.450   9.211
  192    HG2  ARG  30           2HG      ARG  30   1.429   7.023   6.880
  193    HG3  ARG  30           1HG      ARG  30   0.535   6.274   8.199
  194    HD2  ARG  30           2HD      ARG  30   2.282   8.731   8.325
  195    HD3  ARG  30           1HD      ARG  30   0.536   8.657   8.499
  196    HE   ARG  30           HE       ARG  30   1.012   7.310  10.549
  197   HH11  ARG  30          1HH1      ARG  30   3.279   9.800   9.340
  198   HH12  ARG  30          2HH1      ARG  30   3.955  10.121  10.857
  199   HH21  ARG  30          1HH2      ARG  30   1.947   7.809  12.675
  200   HH22  ARG  30          2HH2      ARG  30   3.181   8.961  12.810
  201    H    GLU  31           H        GLU  31   5.119   4.834   6.936
  202    HA   GLU  31           HA       GLU  31   6.816   3.967   9.161
  203    HB2  GLU  31           2HB      GLU  31   5.516   2.361   6.967
  204    HB3  GLU  31           1HB      GLU  31   6.745   1.708   8.032
  205    HG2  GLU  31           2HG      GLU  31   4.023   2.716   8.840
  206    HG3  GLU  31           1HG      GLU  31   4.509   1.030   8.697
  207    H    HIS  32           H        HIS  32   8.514   2.347   7.855
  208    HA   HIS  32           HA       HIS  32   9.911   4.169   6.076
  209    HB2  HIS  32           2HB      HIS  32  11.116   3.531   8.166
  210    HB3  HIS  32           1HB      HIS  32  10.986   1.842   7.710
  211    HD1  HIS  32           1HD      HIS  32  13.201   4.740   7.395
  212    HD2  HIS  32           2HD      HIS  32  12.530   1.201   5.317
  213    HE1  HIS  32           1HE      HIS  32  15.229   4.388   5.959
  214    H    PHE  33           H        PHE  33   8.838   3.611   4.312
  215    HA   PHE  33           HA       PHE  33   9.616   1.040   3.134
  216    HB2  PHE  33           2HB      PHE  33   6.957   2.446   2.822
  217    HB3  PHE  33           1HB      PHE  33   7.505   1.206   1.704
  218    HD1  PHE  33           1HD      PHE  33   6.370   1.879   5.117
  219    HD2  PHE  33           2HD      PHE  33   7.514  -1.096   2.326
  220    HE1  PHE  33           1HE      PHE  33   5.430   0.138   6.594
  221    HE2  PHE  33           2HE      PHE  33   6.569  -2.841   3.801
  222    HZ   PHE  33           HZ       PHE  33   5.535  -2.217   5.927
  223    H    ALA  34           H        ALA  34  11.098   1.436   1.715
  224    HA   ALA  34           HA       ALA  34  11.614   4.001   0.631
  225    HB1  ALA  34           1HB      ALA  34  13.387   2.380   1.119
  226    HB2  ALA  34           2HB      ALA  34  13.438   2.931  -0.556
  227    HB3  ALA  34           3HB      ALA  34  12.781   1.342  -0.172
  228    H    TYR  35           H        TYR  35   9.716   1.356  -0.446
  229    HA   TYR  35           HA       TYR  35   9.520   2.584  -3.092
  230    HB2  TYR  35           2HB      TYR  35   8.729  -0.161  -2.120
  231    HB3  TYR  35           1HB      TYR  35   8.224   0.469  -3.681
  232    HD1  TYR  35           1HD      TYR  35  11.264  -0.303  -1.662
  233    HD2  TYR  35           2HD      TYR  35   9.617   0.229  -5.545
  234    HE1  TYR  35           1HE      TYR  35  13.353  -1.117  -2.657
  235    HE2  TYR  35           2HE      TYR  35  11.717  -0.599  -6.551
  236    HH   TYR  35           HH       TYR  35  14.055  -0.760  -5.953
  237    H    GLY  36           H        GLY  36   8.208   3.150  -0.298
  238    HA2  GLY  36           2HA      GLY  36   6.279   4.074   0.427
  239    HA3  GLY  36           1HA      GLY  36   5.908   4.394  -1.263
  240    H    GLY  37           H        GLY  37   4.351   3.262  -2.217
  241    HA2  GLY  37           2HA      GLY  37   3.520   0.707  -1.612
  242    HA3  GLY  37           1HA      GLY  37   2.547   1.828  -0.658
  243    H    ALA  38           H        ALA  38   1.310   0.320  -2.505
  244    HA   ALA  38           HA       ALA  38   0.321   2.365  -4.276
  245    HB1  ALA  38           1HB      ALA  38   1.230  -0.273  -5.425
  246    HB2  ALA  38           2HB      ALA  38   2.111   1.243  -5.590
  247    HB3  ALA  38           3HB      ALA  38   0.504   1.077  -6.298
  248    H    CYS  39           H        CYS  39  -1.587   1.262  -5.594
  249    HA   CYS  39           HA       CYS  39  -3.277   0.218  -3.528
  250    HB2  CYS  39           2HB      CYS  39  -3.865   0.794  -6.443
  251    HB3  CYS  39           1HB      CYS  39  -5.059   0.511  -5.189
  252    H    HIS  40           H        HIS  40  -3.642  -1.901  -3.183
  253    HA   HIS  40           HA       HIS  40  -3.263  -3.825  -5.372
  254    HB2  HIS  40           2HB      HIS  40  -1.214  -3.813  -3.960
  255    HB3  HIS  40           1HB      HIS  40  -2.197  -4.071  -2.533
  256    HD1  HIS  40           1HD      HIS  40  -0.631  -5.882  -5.412
  257    HD2  HIS  40           2HD      HIS  40  -3.083  -6.698  -2.157
  258    HE1  HIS  40           1HE      HIS  40  -0.674  -8.378  -5.187
  259    H    TYR  41           H        TYR  41  -4.640  -5.729  -5.143
  260    HA   TYR  41           HA       TYR  41  -6.981  -5.097  -3.533
  261    HB2  TYR  41           2HB      TYR  41  -7.408  -5.709  -5.900
  262    HB3  TYR  41           1HB      TYR  41  -6.703  -7.291  -5.589
  263    HD1  TYR  41           1HD      TYR  41  -9.583  -5.104  -4.751
  264    HD2  TYR  41           2HD      TYR  41  -7.993  -9.051  -4.486
  265    HE1  TYR  41           1HE      TYR  41 -11.729  -5.925  -3.959
  266    HE2  TYR  41           2HE      TYR  41 -10.147  -9.869  -3.709
  267    HH   TYR  41           HH       TYR  41 -12.977  -8.077  -3.890
  268    H    GLN  42           H        GLN  42  -7.614  -6.028  -1.871
  269    HA   GLN  42           HA       GLN  42  -7.151  -8.780  -1.374
  270    HB2  GLN  42           2HB      GLN  42  -5.312  -7.640  -0.092
  271    HB3  GLN  42           1HB      GLN  42  -6.533  -6.623   0.682
  272    HG2  GLN  42           2HG      GLN  42  -7.543  -8.577   1.682
  273    HG3  GLN  42           1HG      GLN  42  -6.375  -9.622   0.896
  274   HE21  GLN  42          1HE2      GLN  42  -6.966  -9.319   3.695
  275   HE22  GLN  42          2HE2      GLN  42  -5.498  -8.847   4.464
  276    H    PHE  43           H        PHE  43  -8.914  -9.405   0.047
  277    HA   PHE  43           HA       PHE  43 -11.206  -7.940  -0.430
  278    HB2  PHE  43           2HB      PHE  43 -11.229 -10.339   0.073
  279    HB3  PHE  43           1HB      PHE  43 -10.695 -10.031   1.724
  280    HD1  PHE  43           2HD      PHE  43 -13.484  -9.527  -0.657
  281    HD2  PHE  43           1HD      PHE  43 -12.259  -9.517   3.425
  282    HE1  PHE  43           2HE      PHE  43 -15.824  -9.279   0.047
  283    HE2  PHE  43           1HE      PHE  43 -14.594  -9.274   4.126
  284    HZ   PHE  43           HZ       PHE  43 -16.379  -9.144   2.438
  285    HA   PRO  44           HA       PRO  44 -13.088  -7.260   0.449
  286    HB2  PRO  44           2HB      PRO  44 -14.572  -5.174   1.073
  287    HB3  PRO  44           1HB      PRO  44 -14.284  -6.481   2.233
  288    HG2  PRO  44           2HG      PRO  44 -13.135  -3.744   2.137
  289    HG3  PRO  44           1HG      PRO  44 -13.512  -4.756   3.539
  290    HD2  PRO  44           2HD      PRO  44 -10.984  -4.407   2.291
  291    HD3  PRO  44           1HD      PRO  44 -11.388  -5.554   3.580
  292    H    SER  45           H        SER  45 -10.812  -4.734   0.001
  293    HA   SER  45           HA       SER  45 -11.745  -4.212  -2.630
  294    HB2  SER  45           2HB      SER  45 -13.234  -2.718  -1.323
  295    HB3  SER  45           1HB      SER  45 -11.821  -1.944  -0.609
  296    HG   SER  45           HG       SER  45 -13.050  -1.437  -2.911
  297    H    VAL  46           H        VAL  46 -10.282  -2.782  -3.718
  298    HA   VAL  46           HA       VAL  46  -7.556  -3.300  -3.266
  299    HB   VAL  46           HB       VAL  46  -8.793  -1.029  -4.856
  300   HG11  VAL  46          1HG1      VAL  46  -6.058  -2.269  -5.072
  301   HG12  VAL  46          2HG1      VAL  46  -6.436  -0.694  -4.385
  302   HG13  VAL  46          3HG1      VAL  46  -6.708  -0.990  -6.106
  303   HG21  VAL  46          3HG2      VAL  46  -8.500  -2.496  -6.801
  304   HG22  VAL  46          1HG2      VAL  46  -9.628  -3.165  -5.622
  305   HG23  VAL  46          2HG2      VAL  46  -7.980  -3.787  -5.725
  306    H    LYS  47           H        LYS  47  -6.315  -2.524  -1.744
  307    HA   LYS  47           HA       LYS  47  -6.947   0.106  -0.617
  308    HB2  LYS  47           2HB      LYS  47  -7.672  -1.780   0.893
  309    HB3  LYS  47           1HB      LYS  47  -6.003  -2.315   0.960
  310    HG2  LYS  47           2HG      LYS  47  -5.349  -0.290   2.103
  311    HG3  LYS  47           1HG      LYS  47  -6.970   0.378   1.920
  312    HD2  LYS  47           2HD      LYS  47  -6.640  -0.437   4.169
  313    HD3  LYS  47           1HD      LYS  47  -7.837  -1.432   3.344
  314    HE2  LYS  47           2HE      LYS  47  -6.162  -3.159   2.961
  315    HE3  LYS  47           1HE      LYS  47  -4.921  -2.141   3.692
  316    HZ1  LYS  47           3HZ      LYS  47  -7.307  -3.231   5.104
  317    HZ2  LYS  47           1HZ      LYS  47  -6.126  -2.248   5.782
  318    HZ3  LYS  47           2HZ      LYS  47  -5.731  -3.781   5.264
  319    H    CYS  48           H        CYS  48  -4.955   0.872   0.715
  320    HA   CYS  48           HA       CYS  48  -2.734   1.026  -1.058
  321    HB2  CYS  48           2HB      CYS  48  -3.555   2.920   0.299
  322    HB3  CYS  48           1HB      CYS  48  -3.138   2.044   1.760
  323    H    PHE  49           H        PHE  49  -1.113  -0.377  -1.109
  324    HA   PHE  49           HA       PHE  49  -0.429  -1.851   1.321
  325    HB2  PHE  49           2HB      PHE  49  -0.456  -2.792  -1.544
  326    HB3  PHE  49           1HB      PHE  49   0.506  -3.571  -0.300
  327    HD1  PHE  49           2HD      PHE  49  -3.026  -2.442  -0.788
  328    HD2  PHE  49           1HD      PHE  49  -0.397  -5.430   0.688
  329    HE1  PHE  49           2HE      PHE  49  -4.948  -3.827  -0.159
  330    HE2  PHE  49           1HE      PHE  49  -2.312  -6.808   1.309
  331    HZ   PHE  49           HZ       PHE  49  -4.585  -6.012   0.896
  332    H    CYS  50           H        CYS  50   1.452  -1.462   2.027
  333    HA   CYS  50           HA       CYS  50   3.283   0.294   0.737
  334    HB2  CYS  50           2HB      CYS  50   3.696  -1.419   3.165
  335    HB3  CYS  50           1HB      CYS  50   4.472   0.109   2.771
  336    H    LYS  51           H        LYS  51   5.165  -0.324  -0.262
  337    HA   LYS  51           HA       LYS  51   5.481  -3.220  -0.639
  338    HB2  LYS  51           2HB      LYS  51   6.340  -0.963  -2.447
  339    HB3  LYS  51           1HB      LYS  51   6.672  -2.661  -2.726
  340    HG2  LYS  51           2HG      LYS  51   4.263  -3.114  -2.834
  341    HG3  LYS  51           1HG      LYS  51   3.945  -1.396  -2.598
  342    HD2  LYS  51           2HD      LYS  51   5.175  -0.895  -4.658
  343    HD3  LYS  51           1HD      LYS  51   5.474  -2.619  -4.892
  344    HE2  LYS  51           2HE      LYS  51   2.765  -1.320  -4.754
  345    HE3  LYS  51           1HE      LYS  51   3.584  -1.770  -6.249
  346    HZ1  LYS  51           3HZ      LYS  51   3.503  -4.103  -5.469
  347    HZ2  LYS  51           1HZ      LYS  51   1.977  -3.426  -5.626
  348    HZ3  LYS  51           2HZ      LYS  51   2.638  -3.638  -4.107
  349    H    ARG  52           H        ARG  52   6.913  -3.944   0.749
  350    HA   ARG  52           HA       ARG  52   9.411  -2.387   1.010
  351    HB2  ARG  52           2HB      ARG  52  10.012  -3.815   2.902
  352    HB3  ARG  52           1HB      ARG  52   8.490  -2.995   3.186
  353    HG2  ARG  52           2HG      ARG  52   7.267  -4.962   3.020
  354    HG3  ARG  52           1HG      ARG  52   8.528  -5.778   2.090
  355    HD2  ARG  52           2HD      ARG  52   8.809  -4.951   4.973
  356    HD3  ARG  52           1HD      ARG  52   8.355  -6.575   4.449
  357    HE   ARG  52           HE       ARG  52  10.663  -6.033   3.085
  358   HH11  ARG  52          1HH1      ARG  52   9.854  -6.116   6.523
  359   HH12  ARG  52          2HH1      ARG  52  11.425  -6.544   7.011
  360   HH21  ARG  52          1HH2      ARG  52  12.751  -6.653   3.727
  361   HH22  ARG  52          2HH2      ARG  52  13.121  -6.882   5.380
  362    H    GLN  53           H        GLN  53  11.447  -3.542   0.916
  363    HA   GLN  53           HA       GLN  53  11.434  -5.480  -1.170
  364    HB2  GLN  53           2HB      GLN  53  13.631  -4.312   0.531
  365    HB3  GLN  53           1HB      GLN  53  13.890  -5.441  -0.786
  366    HG2  GLN  53           2HG      GLN  53  12.960  -3.848  -2.343
  367    HG3  GLN  53           1HG      GLN  53  12.656  -2.719  -1.027
  368   HE21  GLN  53          1HE2      GLN  53  15.048  -4.194  -3.032
  369   HE22  GLN  53          2HE2      GLN  53  16.321  -3.103  -2.625
  370    H    CYS  54           H        CYS  54  11.213  -7.536  -0.817
  371    HA   CYS  54           HA       CYS  54  11.908  -8.524   1.817
  372    HB2  CYS  54           2HB      CYS  54  10.302 -10.412   1.245
  373    HB3  CYS  54           1HB      CYS  54   9.607  -8.827   1.583
  Start of MODEL   10
    1    H1   ASP   1           1HT      ASP   1  14.998  -0.775  -9.975
    2    H2   ASP   1           2HT      ASP   1  16.490  -1.158 -10.626
    3    H3   ASP   1           3HT      ASP   1  16.352   0.123  -9.545
    4    HA   ASP   1           HA       ASP   1  17.308  -1.847  -8.500
    5    HB2  ASP   1           2HB      ASP   1  14.571  -0.984  -7.583
    6    HB3  ASP   1           1HB      ASP   1  15.610  -2.044  -6.643
    7    H    GLY   2           H        GLY   2  17.416  -3.974  -8.503
    8    HA2  GLY   2           2HA      GLY   2  15.227  -5.448  -9.756
    9    HA3  GLY   2           1HA      GLY   2  16.869  -6.037  -9.497
   10    H    VAL   3           H        VAL   3  14.046  -4.955  -7.712
   11    HA   VAL   3           HA       VAL   3  14.675  -6.983  -5.700
   12    HB   VAL   3           HB       VAL   3  15.062  -4.666  -4.881
   13   HG11  VAL   3          1HG1      VAL   3  12.127  -4.269  -5.336
   14   HG12  VAL   3          2HG1      VAL   3  13.455  -3.436  -6.145
   15   HG13  VAL   3          3HG1      VAL   3  13.169  -3.182  -4.423
   16   HG21  VAL   3          3HG2      VAL   3  12.783  -6.097  -3.524
   17   HG22  VAL   3          1HG2      VAL   3  13.777  -4.837  -2.792
   18   HG23  VAL   3          2HG2      VAL   3  14.505  -6.373  -3.264
   19    H    LYS   4           H        LYS   4  12.889  -8.108  -4.853
   20    HA   LYS   4           HA       LYS   4  10.465  -7.980  -6.475
   21    HB2  LYS   4           2HB      LYS   4  11.172  -9.896  -4.243
   22    HB3  LYS   4           1HB      LYS   4   9.866 -10.058  -5.403
   23    HG2  LYS   4           2HG      LYS   4  12.811 -10.258  -5.976
   24    HG3  LYS   4           1HG      LYS   4  11.630 -11.566  -5.937
   25    HD2  LYS   4           2HD      LYS   4  10.463 -10.568  -7.838
   26    HD3  LYS   4           1HD      LYS   4  11.646  -9.259  -7.868
   27    HE2  LYS   4           2HE      LYS   4  12.195 -10.944  -9.528
   28    HE3  LYS   4           1HE      LYS   4  13.429 -10.864  -8.279
   29    HZ1  LYS   4           3HZ      LYS   4  12.841 -13.133  -8.880
   30    HZ2  LYS   4           1HZ      LYS   4  11.256 -12.889  -8.381
   31    HZ3  LYS   4           2HZ      LYS   4  12.531 -12.849  -7.266
   32    H    LEU   5           H        LEU   5   8.445  -7.575  -5.431
   33    HA   LEU   5           HA       LEU   5   8.843  -6.375  -2.794
   34    HB2  LEU   5           2HB      LEU   5   6.804  -5.422  -4.817
   35    HB3  LEU   5           1HB      LEU   5   7.204  -4.769  -3.235
   36    HG   LEU   5           HG       LEU   5   9.146  -4.790  -5.523
   37   HD11  LEU   5          1HD1      LEU   5   7.398  -2.541  -4.521
   38   HD12  LEU   5          2HD1      LEU   5   7.241  -3.365  -6.073
   39   HD13  LEU   5          3HD1      LEU   5   8.671  -2.393  -5.731
   40   HD21  LEU   5          3HD2      LEU   5  10.345  -3.150  -4.131
   41   HD22  LEU   5          1HD2      LEU   5  10.194  -4.720  -3.343
   42   HD23  LEU   5          2HD2      LEU   5   9.151  -3.384  -2.855
   43    H    CYS   6           H        CYS   6   7.499  -6.824  -1.277
   44    HA   CYS   6           HA       CYS   6   5.358  -8.760  -1.833
   45    HB2  CYS   6           2HB      CYS   6   6.676  -8.119   0.817
   46    HB3  CYS   6           1HB      CYS   6   5.513  -9.403   0.516
   47    H    ASP   7           H        ASP   7   3.322  -8.181  -1.423
   48    HA   ASP   7           HA       ASP   7   2.808  -5.399  -0.753
   49    HB2  ASP   7           2HB      ASP   7   0.921  -7.605  -1.657
   50    HB3  ASP   7           1HB      ASP   7   0.498  -5.911  -1.494
   51    H    VAL   8           H        VAL   8   2.486  -4.911   1.333
   52    HA   VAL   8           HA       VAL   8   1.185  -6.931   3.017
   53    HB   VAL   8           HB       VAL   8   2.363  -6.024   4.982
   54   HG11  VAL   8          1HG1      VAL   8   3.401  -7.866   3.817
   55   HG12  VAL   8          2HG1      VAL   8   4.638  -6.777   4.457
   56   HG13  VAL   8          3HG1      VAL   8   4.228  -6.741   2.741
   57   HG21  VAL   8          3HG2      VAL   8   2.655  -3.704   4.269
   58   HG22  VAL   8          1HG2      VAL   8   3.802  -4.216   3.031
   59   HG23  VAL   8          2HG2      VAL   8   4.205  -4.404   4.737
   60    HA   PRO   9           HA       PRO   9  -2.201  -4.134   3.589
   61    HB2  PRO   9           2HB      PRO   9  -2.170  -4.915   6.460
   62    HB3  PRO   9           1HB      PRO   9  -3.484  -5.029   5.285
   63    HG2  PRO   9           2HG      PRO   9  -2.192  -7.199   6.080
   64    HG3  PRO   9           1HG      PRO   9  -2.691  -7.009   4.388
   65    HD2  PRO   9           2HD      PRO   9   0.013  -6.677   5.619
   66    HD3  PRO   9           1HD      PRO   9  -0.446  -7.406   4.065
   67    H    SER  10           H        SER  10  -2.031  -1.975   3.759
   68    HA   SER  10           HA       SER  10   0.020  -0.811   5.387
   69    HB2  SER  10           2HB      SER  10  -0.514   0.038   3.108
   70    HB3  SER  10           1HB      SER  10  -2.099   0.536   3.695
   71    HG   SER  10           HG       SER  10   0.321   1.694   3.933
   72    H    GLY  11           H        GLY  11  -0.251   0.064   7.348
   73    HA2  GLY  11           2HA      GLY  11  -2.882   0.004   8.535
   74    HA3  GLY  11           1HA      GLY  11  -1.381   0.434   9.351
   75    H    THR  12           H        THR  12  -0.694   2.297   7.165
   76    HA   THR  12           HA       THR  12  -1.815   4.634   8.291
   77    HB   THR  12           HB       THR  12  -0.724   5.828   6.355
   78    HG1  THR  12           1HG      THR  12  -0.482   3.283   5.358
   79   HG21  THR  12          3HG2      THR  12   1.565   5.425   7.113
   80   HG22  THR  12          1HG2      THR  12   1.035   3.976   7.971
   81   HG23  THR  12          2HG2      THR  12   0.453   5.576   8.460
   82    H    TRP  13           H        TRP  13  -2.776   2.668   5.593
   83    HA   TRP  13           HA       TRP  13  -4.595   4.805   4.770
   84    HB2  TRP  13           2HB      TRP  13  -2.885   3.956   3.105
   85    HB3  TRP  13           1HB      TRP  13  -3.784   2.441   3.115
   86    HD1  TRP  13           HD       TRP  13  -6.372   2.572   2.147
   87    HE1  TRP  13           1HE      TRP  13  -7.383   4.174   0.390
   88    HE3  TRP  13           3HE      TRP  13  -2.792   6.210   2.178
   89    HZ2  TRP  13           2HZ      TRP  13  -6.728   6.581  -0.830
   90    HZ3  TRP  13           3HZ      TRP  13  -3.047   8.131   0.686
   91    HH2  TRP  13           HH       TRP  13  -4.945   8.330  -0.785
   92    H    SER  14           H        SER  14  -6.578   4.482   5.449
   93    HA   SER  14           HA       SER  14  -7.597   1.748   5.614
   94    HB2  SER  14           2HB      SER  14  -8.543   4.236   7.053
   95    HB3  SER  14           1HB      SER  14  -9.094   2.583   7.335
   96    HG   SER  14           HG       SER  14  -6.758   2.183   7.837
   97    H    GLY  15           H        GLY  15  -9.737   1.461   4.773
   98    HA2  GLY  15           2HA      GLY  15 -11.626   2.011   3.565
   99    HA3  GLY  15           1HA      GLY  15 -11.030   3.660   3.425
  100    H    HIS  16           H        HIS  16 -11.591   3.680   1.256
  101    HA   HIS  16           HA       HIS  16 -10.573   1.753  -0.601
  102    HB2  HIS  16           2HB      HIS  16 -12.725   2.771  -1.047
  103    HB3  HIS  16           1HB      HIS  16 -12.031   4.381  -0.979
  104    HD1  HIS  16           1HD      HIS  16 -12.471   1.452  -3.295
  105    HD2  HIS  16           2HD      HIS  16 -10.697   5.199  -3.279
  106    HE1  HIS  16           1HE      HIS  16 -11.899   1.967  -5.700
  107    H    CYS  17           H        CYS  17  -8.772   1.821  -1.719
  108    HA   CYS  17           HA       CYS  17  -6.982   4.103  -1.465
  109    HB2  CYS  17           2HB      CYS  17  -6.098   1.852  -1.100
  110    HB3  CYS  17           1HB      CYS  17  -6.543   1.380  -2.741
  111    H    GLY  18           H        GLY  18  -7.667   5.663  -2.802
  112    HA2  GLY  18           2HA      GLY  18  -8.201   4.886  -5.574
  113    HA3  GLY  18           1HA      GLY  18  -8.747   6.382  -4.832
  114    H    SER  19           H        SER  19  -6.551   7.316  -3.658
  115    HA   SER  19           HA       SER  19  -4.985   8.099  -5.925
  116    HB2  SER  19           2HB      SER  19  -4.880   8.994  -3.045
  117    HB3  SER  19           1HB      SER  19  -4.112   9.804  -4.413
  118    HG   SER  19           HG       SER  19  -6.769   9.290  -4.771
  119    H    SER  20           H        SER  20  -3.757   6.369  -6.432
  120    HA   SER  20           HA       SER  20  -2.449   4.628  -4.703
  121    HB2  SER  20           2HB      SER  20  -2.971   4.099  -7.045
  122    HB3  SER  20           1HB      SER  20  -1.799   5.300  -7.583
  123    HG   SER  20           HG       SER  20  -1.477   2.762  -6.671
  124    H    SER  21           H        SER  21  -1.174   7.443  -6.493
  125    HA   SER  21           HA       SER  21   1.483   7.062  -5.596
  126    HB2  SER  21           2HB      SER  21   0.886   8.320  -7.676
  127    HB3  SER  21           1HB      SER  21   0.235   9.610  -6.670
  128    HG   SER  21           HG       SER  21   2.866   8.650  -6.807
  129    H    LYS  22           H        LYS  22  -1.250   8.814  -4.375
  130    HA   LYS  22           HA       LYS  22   0.231  10.208  -2.410
  131    HB2  LYS  22           2HB      LYS  22  -2.720   9.613  -2.562
  132    HB3  LYS  22           1HB      LYS  22  -1.980  10.592  -1.300
  133    HG2  LYS  22           2HG      LYS  22  -1.149  12.146  -3.013
  134    HG3  LYS  22           1HG      LYS  22  -1.950  11.194  -4.257
  135    HD2  LYS  22           2HD      LYS  22  -3.257  13.173  -3.638
  136    HD3  LYS  22           1HD      LYS  22  -4.115  11.687  -3.234
  137    HE2  LYS  22           2HE      LYS  22  -3.515  11.910  -0.913
  138    HE3  LYS  22           1HE      LYS  22  -2.471  13.285  -1.273
  139    HZ1  LYS  22           3HZ      LYS  22  -4.352  14.577  -1.832
  140    HZ2  LYS  22           1HZ      LYS  22  -4.631  13.885  -0.337
  141    HZ3  LYS  22           2HZ      LYS  22  -5.418  13.265  -1.692
  142    H    CYS  23           H        CYS  23  -1.466   7.079  -2.403
  143    HA   CYS  23           HA       CYS  23  -0.978   6.662   0.318
  144    HB2  CYS  23           2HB      CYS  23  -2.590   5.230  -0.917
  145    HB3  CYS  23           1HB      CYS  23  -1.244   4.486  -1.788
  146    H    SER  24           H        SER  24   0.879   6.048  -2.608
  147    HA   SER  24           HA       SER  24   2.972   4.585  -1.516
  148    HB2  SER  24           2HB      SER  24   3.184   6.621  -3.746
  149    HB3  SER  24           1HB      SER  24   4.256   5.246  -3.437
  150    HG   SER  24           HG       SER  24   1.888   4.190  -3.626
  151    H    GLN  25           H        GLN  25   2.658   8.093  -1.964
  152    HA   GLN  25           HA       GLN  25   5.074   8.818  -0.776
  153    HB2  GLN  25           2HB      GLN  25   3.716  10.338  -2.153
  154    HB3  GLN  25           1HB      GLN  25   2.473  10.357  -0.913
  155    HG2  GLN  25           2HG      GLN  25   3.781  12.378  -0.802
  156    HG3  GLN  25           1HG      GLN  25   4.057  11.398   0.638
  157   HE21  GLN  25          1HE2      GLN  25   6.016  12.302   1.093
  158   HE22  GLN  25          2HE2      GLN  25   7.422  12.053   0.146
  159    H    GLN  26           H        GLN  26   1.817   8.608   0.598
  160    HA   GLN  26           HA       GLN  26   2.285   9.401   3.206
  161    HB2  GLN  26           2HB      GLN  26   0.069   9.029   2.275
  162    HB3  GLN  26           1HB      GLN  26   0.384   7.306   2.174
  163    HG2  GLN  26           2HG      GLN  26   0.600   7.262   4.645
  164    HG3  GLN  26           1HG      GLN  26   0.108   8.956   4.670
  165   HE21  GLN  26          1HE2      GLN  26  -0.895   5.696   4.114
  166   HE22  GLN  26          2HE2      GLN  26  -2.591   6.028   4.097
  167    H    CYS  27           H        CYS  27   2.370   6.082   1.907
  168    HA   CYS  27           HA       CYS  27   3.090   4.938   4.397
  169    HB2  CYS  27           2HB      CYS  27   1.896   3.647   2.664
  170    HB3  CYS  27           1HB      CYS  27   3.300   3.753   1.611
  171    H    LYS  28           H        LYS  28   4.947   6.100   1.649
  172    HA   LYS  28           HA       LYS  28   7.450   5.015   2.453
  173    HB2  LYS  28           2HB      LYS  28   6.935   5.759   0.162
  174    HB3  LYS  28           1HB      LYS  28   6.769   7.403   0.751
  175    HG2  LYS  28           2HG      LYS  28   9.157   7.380   1.379
  176    HG3  LYS  28           1HG      LYS  28   9.288   5.762   0.704
  177    HD2  LYS  28           2HD      LYS  28  10.069   7.418  -0.914
  178    HD3  LYS  28           1HD      LYS  28   8.626   6.599  -1.504
  179    HE2  LYS  28           2HE      LYS  28   7.269   8.538  -0.778
  180    HE3  LYS  28           1HE      LYS  28   8.739   9.342  -0.235
  181    HZ1  LYS  28           3HZ      LYS  28   8.016  10.089  -2.406
  182    HZ2  LYS  28           1HZ      LYS  28   8.122   8.530  -3.020
  183    HZ3  LYS  28           2HZ      LYS  28   9.519   9.338  -2.527
  184    H    ASP  29           H        ASP  29   5.646   7.844   3.223
  185    HA   ASP  29           HA       ASP  29   7.785   9.283   4.496
  186    HB2  ASP  29           2HB      ASP  29   6.062  10.517   3.384
  187    HB3  ASP  29           1HB      ASP  29   4.815   9.727   4.332
  188    H    ARG  30           H        ARG  30   4.860   7.646   5.636
  189    HA   ARG  30           HA       ARG  30   5.605   8.160   8.398
  190    HB2  ARG  30           2HB      ARG  30   3.226   6.702   7.271
  191    HB3  ARG  30           1HB      ARG  30   3.452   7.128   8.962
  192    HG2  ARG  30           2HG      ARG  30   3.433   9.499   8.360
  193    HG3  ARG  30           1HG      ARG  30   3.216   9.059   6.666
  194    HD2  ARG  30           2HD      ARG  30   1.080   7.969   7.252
  195    HD3  ARG  30           1HD      ARG  30   1.298   8.482   8.925
  196    HE   ARG  30           HE       ARG  30   1.349  10.497   6.859
  197   HH11  ARG  30          1HH1      ARG  30  -0.563   8.916   9.410
  198   HH12  ARG  30          2HH1      ARG  30  -1.611  10.219   9.654
  199   HH21  ARG  30          1HH2      ARG  30  -0.132  12.337   7.206
  200   HH22  ARG  30          2HH2      ARG  30  -1.359  12.210   8.369
  201    H    GLU  31           H        GLU  31   5.520   5.393   6.226
  202    HA   GLU  31           HA       GLU  31   6.179   3.601   8.442
  203    HB2  GLU  31           2HB      GLU  31   5.222   3.119   5.627
  204    HB3  GLU  31           1HB      GLU  31   5.684   1.839   6.733
  205    HG2  GLU  31           2HG      GLU  31   3.503   3.815   7.312
  206    HG3  GLU  31           1HG      GLU  31   3.228   2.279   6.495
  207    H    HIS  32           H        HIS  32   7.536   1.660   7.224
  208    HA   HIS  32           HA       HIS  32   9.942   2.991   6.220
  209    HB2  HIS  32           2HB      HIS  32   9.627   0.445   7.815
  210    HB3  HIS  32           1HB      HIS  32  11.128   0.890   7.019
  211    HD1  HIS  32           1HD      HIS  32  12.696   2.309   8.388
  212    HD2  HIS  32           2HD      HIS  32   8.786   2.421   9.784
  213    HE1  HIS  32           1HE      HIS  32  12.770   3.593  10.540
  214    H    PHE  33           H        PHE  33   8.324   2.757   4.289
  215    HA   PHE  33           HA       PHE  33   9.262   0.428   2.816
  216    HB2  PHE  33           2HB      PHE  33   6.433   1.531   2.675
  217    HB3  PHE  33           1HB      PHE  33   7.072   0.221   1.694
  218    HD1  PHE  33           2HD      PHE  33   7.870  -1.882   2.948
  219    HD2  PHE  33           1HD      PHE  33   5.402   1.084   4.694
  220    HE1  PHE  33           2HE      PHE  33   7.147  -3.497   4.686
  221    HE2  PHE  33           1HE      PHE  33   4.687  -0.510   6.428
  222    HZ   PHE  33           HZ       PHE  33   5.556  -2.805   6.414
  223    H    ALA  34           H        ALA  34  10.643   1.351   1.521
  224    HA   ALA  34           HA       ALA  34  10.684   4.026   0.730
  225    HB1  ALA  34           1HB      ALA  34  12.665   2.589   0.769
  226    HB2  ALA  34           2HB      ALA  34  12.473   3.399  -0.786
  227    HB3  ALA  34           3HB      ALA  34  12.039   1.699  -0.618
  228    H    TYR  35           H        TYR  35   9.143   1.293  -0.774
  229    HA   TYR  35           HA       TYR  35   8.628   2.851  -3.188
  230    HB2  TYR  35           2HB      TYR  35   7.905  -0.005  -2.506
  231    HB3  TYR  35           1HB      TYR  35   7.481   0.782  -4.024
  232    HD1  TYR  35           1HD      TYR  35   9.219   1.396  -5.625
  233    HD2  TYR  35           2HD      TYR  35  10.138  -0.712  -2.072
  234    HE1  TYR  35           1HE      TYR  35  11.426   0.853  -6.535
  235    HE2  TYR  35           2HE      TYR  35  12.344  -1.265  -2.945
  236    HH   TYR  35           HH       TYR  35  13.473  -1.450  -5.128
  237    H    GLY  36           H        GLY  36   7.301   2.675  -0.242
  238    HA2  GLY  36           2HA      GLY  36   5.339   3.424   0.600
  239    HA3  GLY  36           1HA      GLY  36   4.911   3.949  -1.027
  240    H    GLY  37           H        GLY  37   3.131   3.001  -1.791
  241    HA2  GLY  37           2HA      GLY  37   2.755   0.215  -1.528
  242    HA3  GLY  37           1HA      GLY  37   1.618   1.187  -0.574
  243    H    ALA  38           H        ALA  38   0.558  -0.337  -2.417
  244    HA   ALA  38           HA       ALA  38  -0.323   1.584  -4.418
  245    HB1  ALA  38           1HB      ALA  38  -0.254  -0.138  -6.174
  246    HB2  ALA  38           2HB      ALA  38   0.499  -1.259  -5.036
  247    HB3  ALA  38           3HB      ALA  38   1.356   0.200  -5.534
  248    H    CYS  39           H        CYS  39  -2.372   0.639  -5.489
  249    HA   CYS  39           HA       CYS  39  -4.049  -0.182  -3.278
  250    HB2  CYS  39           2HB      CYS  39  -4.833   0.568  -6.088
  251    HB3  CYS  39           1HB      CYS  39  -5.879   0.507  -4.681
  252    H    HIS  40           H        HIS  40  -4.907  -2.159  -3.105
  253    HA   HIS  40           HA       HIS  40  -4.964  -3.983  -5.364
  254    HB2  HIS  40           2HB      HIS  40  -2.780  -4.405  -4.329
  255    HB3  HIS  40           1HB      HIS  40  -3.517  -4.499  -2.742
  256    HD1  HIS  40           1HD      HIS  40  -4.225  -6.790  -1.976
  257    HD2  HIS  40           2HD      HIS  40  -3.411  -6.635  -6.040
  258    HE1  HIS  40           1HE      HIS  40  -4.266  -9.182  -2.785
  259    H    TYR  41           H        TYR  41  -6.750  -5.266  -5.242
  260    HA   TYR  41           HA       TYR  41  -8.663  -4.597  -3.210
  261    HB2  TYR  41           2HB      TYR  41  -9.394  -4.936  -5.553
  262    HB3  TYR  41           1HB      TYR  41  -8.924  -6.631  -5.440
  263    HD1  TYR  41           1HD      TYR  41 -11.341  -4.106  -4.325
  264    HD2  TYR  41           2HD      TYR  41 -10.300  -8.225  -4.198
  265    HE1  TYR  41           1HE      TYR  41 -13.529  -4.619  -3.376
  266    HE2  TYR  41           2HE      TYR  41 -12.494  -8.759  -3.250
  267    HH   TYR  41           HH       TYR  41 -15.056  -6.641  -3.271
  268    H    GLN  42           H        GLN  42  -9.180  -5.606  -1.499
  269    HA   GLN  42           HA       GLN  42  -8.703  -8.434  -1.203
  270    HB2  GLN  42           2HB      GLN  42  -6.787  -7.357  -0.062
  271    HB3  GLN  42           1HB      GLN  42  -7.900  -6.333   0.841
  272    HG2  GLN  42           2HG      GLN  42  -8.861  -8.273   1.894
  273    HG3  GLN  42           1HG      GLN  42  -7.789  -9.336   1.007
  274   HE21  GLN  42          1HE2      GLN  42  -5.527  -9.276   1.597
  275   HE22  GLN  42          2HE2      GLN  42  -5.057  -8.678   3.144
  276    H    PHE  43           H        PHE  43 -10.447  -9.301  -0.031
  277    HA   PHE  43           HA       PHE  43 -12.744  -7.865  -0.193
  278    HB2  PHE  43           2HB      PHE  43 -12.771 -10.307  -0.054
  279    HB3  PHE  43           1HB      PHE  43 -12.215 -10.244   1.613
  280    HD1  PHE  43           2HD      PHE  43 -15.031  -9.315  -0.604
  281    HD2  PHE  43           1HD      PHE  43 -13.755 -10.095   3.379
  282    HE1  PHE  43           2HE      PHE  43 -17.359  -9.215   0.155
  283    HE2  PHE  43           1HE      PHE  43 -16.092  -9.998   4.147
  284    HZ   PHE  43           HZ       PHE  43 -17.895  -9.556   2.539
  285    HA   PRO  44           HA       PRO  44 -14.389  -7.024   0.251
  286    HB2  PRO  44           2HB      PRO  44 -16.116  -5.344   1.247
  287    HB3  PRO  44           1HB      PRO  44 -15.855  -6.908   2.032
  288    HG2  PRO  44           2HG      PRO  44 -15.035  -4.197   2.928
  289    HG3  PRO  44           1HG      PRO  44 -15.355  -5.646   3.893
  290    HD2  PRO  44           2HD      PRO  44 -12.808  -4.641   2.924
  291    HD3  PRO  44           1HD      PRO  44 -13.105  -6.023   3.998
  292    H    SER  45           H        SER  45 -11.941  -4.938   0.344
  293    HA   SER  45           HA       SER  45 -13.190  -3.001  -1.422
  294    HB2  SER  45           2HB      SER  45 -12.324  -1.073  -0.011
  295    HB3  SER  45           1HB      SER  45 -13.729  -1.935   0.617
  296    HG   SER  45           HG       SER  45 -11.539  -3.158   1.477
  297    H    VAL  46           H        VAL  46 -11.659  -1.522  -2.447
  298    HA   VAL  46           HA       VAL  46  -9.125  -2.719  -3.010
  299    HB   VAL  46           HB       VAL  46 -10.143   0.065  -3.698
  300   HG11  VAL  46          1HG1      VAL  46  -7.716  -0.109  -3.754
  301   HG12  VAL  46          2HG1      VAL  46  -8.369   0.097  -5.384
  302   HG13  VAL  46          3HG1      VAL  46  -7.820  -1.494  -4.839
  303   HG21  VAL  46          3HG2      VAL  46 -11.529  -1.707  -4.667
  304   HG22  VAL  46          1HG2      VAL  46 -10.084  -2.450  -5.357
  305   HG23  VAL  46          2HG2      VAL  46 -10.610  -0.859  -5.915
  306    H    LYS  47           H        LYS  47  -7.643  -2.734  -1.474
  307    HA   LYS  47           HA       LYS  47  -7.561  -0.482   0.384
  308    HB2  LYS  47           2HB      LYS  47  -8.087  -2.839   1.205
  309    HB3  LYS  47           1HB      LYS  47  -6.461  -3.277   0.740
  310    HG2  LYS  47           2HG      LYS  47  -6.640  -2.891   3.142
  311    HG3  LYS  47           1HG      LYS  47  -5.541  -1.741   2.386
  312    HD2  LYS  47           2HD      LYS  47  -7.057  -0.712   4.074
  313    HD3  LYS  47           1HD      LYS  47  -7.209   0.001   2.473
  314    HE2  LYS  47           2HE      LYS  47  -9.397  -0.318   3.506
  315    HE3  LYS  47           1HE      LYS  47  -9.238  -1.314   2.073
  316    HZ1  LYS  47           3HZ      LYS  47  -8.809  -3.229   3.507
  317    HZ2  LYS  47           1HZ      LYS  47 -10.273  -2.517   3.880
  318    HZ3  LYS  47           2HZ      LYS  47  -8.980  -2.269   4.884
  319    H    CYS  48           H        CYS  48  -5.250  -0.035   1.175
  320    HA   CYS  48           HA       CYS  48  -3.511  -0.207  -1.147
  321    HB2  CYS  48           2HB      CYS  48  -3.963   2.059  -0.234
  322    HB3  CYS  48           1HB      CYS  48  -3.251   1.552   1.293
  323    H    PHE  49           H        PHE  49  -1.752  -1.331  -1.101
  324    HA   PHE  49           HA       PHE  49  -0.953  -2.590   1.411
  325    HB2  PHE  49           2HB      PHE  49  -0.996  -3.690  -1.404
  326    HB3  PHE  49           1HB      PHE  49  -0.048  -4.415  -0.113
  327    HD1  PHE  49           1HD      PHE  49  -3.550  -3.449  -0.977
  328    HD2  PHE  49           2HD      PHE  49  -0.995  -6.024   1.236
  329    HE1  PHE  49           1HE      PHE  49  -5.492  -4.794  -0.307
  330    HE2  PHE  49           2HE      PHE  49  -2.926  -7.363   1.923
  331    HZ   PHE  49           HZ       PHE  49  -5.175  -6.758   1.162
  332    H    CYS  50           H        CYS  50   1.020  -2.145   2.006
  333    HA   CYS  50           HA       CYS  50   2.617  -0.448   0.341
  334    HB2  CYS  50           2HB      CYS  50   3.054  -1.491   3.146
  335    HB3  CYS  50           1HB      CYS  50   4.180  -0.422   2.313
  336    H    LYS  51           H        LYS  51   4.456  -0.969  -0.649
  337    HA   LYS  51           HA       LYS  51   4.785  -3.852  -1.049
  338    HB2  LYS  51           2HB      LYS  51   5.766  -1.586  -2.786
  339    HB3  LYS  51           1HB      LYS  51   5.701  -3.285  -3.216
  340    HG2  LYS  51           2HG      LYS  51   3.225  -3.203  -3.098
  341    HG3  LYS  51           1HG      LYS  51   3.318  -1.485  -2.724
  342    HD2  LYS  51           2HD      LYS  51   2.898  -1.516  -5.018
  343    HD3  LYS  51           1HD      LYS  51   4.645  -1.306  -4.927
  344    HE2  LYS  51           2HE      LYS  51   4.279  -2.950  -6.595
  345    HE3  LYS  51           1HE      LYS  51   4.818  -3.825  -5.168
  346    HZ1  LYS  51           3HZ      LYS  51   2.958  -4.932  -6.188
  347    HZ2  LYS  51           1HZ      LYS  51   2.007  -3.560  -6.095
  348    HZ3  LYS  51           2HZ      LYS  51   2.440  -4.379  -4.697
  349    H    ARG  52           H        ARG  52   6.288  -4.605   0.240
  350    HA   ARG  52           HA       ARG  52   8.568  -2.913   0.897
  351    HB2  ARG  52           2HB      ARG  52   9.148  -4.525   2.620
  352    HB3  ARG  52           1HB      ARG  52   7.481  -3.994   2.773
  353    HG2  ARG  52           2HG      ARG  52   6.628  -6.038   2.139
  354    HG3  ARG  52           1HG      ARG  52   8.118  -6.513   1.316
  355    HD2  ARG  52           2HD      ARG  52   7.832  -6.167   4.296
  356    HD3  ARG  52           1HD      ARG  52   7.786  -7.718   3.452
  357    HE   ARG  52           HE       ARG  52  10.114  -6.406   2.675
  358   HH11  ARG  52          1HH1      ARG  52   8.829  -7.796   5.677
  359   HH12  ARG  52          2HH1      ARG  52  10.373  -8.223   6.254
  360   HH21  ARG  52          1HH2      ARG  52  12.188  -6.953   3.513
  361   HH22  ARG  52          2HH2      ARG  52  12.318  -7.744   5.015
  362    H    GLN  53           H        GLN  53  10.680  -3.639   0.798
  363    HA   GLN  53           HA       GLN  53  11.400  -5.022  -1.552
  364    HB2  GLN  53           2HB      GLN  53  13.003  -4.156   0.854
  365    HB3  GLN  53           1HB      GLN  53  13.684  -4.694  -0.672
  366    HG2  GLN  53           2HG      GLN  53  12.718  -2.828  -1.809
  367    HG3  GLN  53           1HG      GLN  53  11.894  -2.298  -0.346
  368   HE21  GLN  53          1HE2      GLN  53  12.860  -0.334  -0.281
  369   HE22  GLN  53          2HE2      GLN  53  14.523  -0.082   0.071
  370    H    CYS  54           H        CYS  54  11.553  -7.165  -1.787
  371    HA   CYS  54           HA       CYS  54  12.249  -8.755   0.553
  372    HB2  CYS  54           2HB      CYS  54  10.348  -9.490  -1.685
  373    HB3  CYS  54           1HB      CYS  54  10.879 -10.591  -0.414
  Start of MODEL   11
    1    H1   ASP   1           1HT      ASP   1  16.571  -1.779 -10.232
    2    H2   ASP   1           2HT      ASP   1  16.911  -3.150  -9.358
    3    H3   ASP   1           3HT      ASP   1  15.308  -2.738  -9.688
    4    HA   ASP   1           HA       ASP   1  15.700  -3.023 -12.059
    5    HB2  ASP   1           2HB      ASP   1  17.762  -4.080 -12.840
    6    HB3  ASP   1           1HB      ASP   1  18.107  -2.552 -12.043
    7    H    GLY   2           H        GLY   2  16.169  -4.971  -9.188
    8    HA2  GLY   2           2HA      GLY   2  14.492  -6.972 -10.357
    9    HA3  GLY   2           1HA      GLY   2  16.156  -7.481 -10.127
   10    H    VAL   3           H        VAL   3  14.819  -5.213  -7.879
   11    HA   VAL   3           HA       VAL   3  15.138  -7.231  -5.862
   12    HB   VAL   3           HB       VAL   3  15.972  -4.943  -5.391
   13   HG11  VAL   3          1HG1      VAL   3  13.097  -4.082  -5.509
   14   HG12  VAL   3          2HG1      VAL   3  14.413  -3.579  -6.576
   15   HG13  VAL   3          3HG1      VAL   3  14.425  -3.108  -4.880
   16   HG21  VAL   3          3HG2      VAL   3  15.017  -4.657  -3.160
   17   HG22  VAL   3          1HG2      VAL   3  15.389  -6.343  -3.516
   18   HG23  VAL   3          2HG2      VAL   3  13.720  -5.778  -3.583
   19    H    LYS   4           H        LYS   4  13.588  -8.308  -4.892
   20    HA   LYS   4           HA       LYS   4  10.992  -8.168  -6.115
   21    HB2  LYS   4           2HB      LYS   4  12.169 -10.081  -4.107
   22    HB3  LYS   4           1HB      LYS   4  10.502 -10.166  -4.633
   23    HG2  LYS   4           2HG      LYS   4  11.724 -11.808  -5.855
   24    HG3  LYS   4           1HG      LYS   4  11.359 -10.503  -6.977
   25    HD2  LYS   4           2HD      LYS   4  13.637  -9.628  -6.668
   26    HD3  LYS   4           1HD      LYS   4  13.988 -10.955  -5.563
   27    HE2  LYS   4           2HE      LYS   4  14.875 -11.411  -7.781
   28    HE3  LYS   4           1HE      LYS   4  13.600 -12.560  -7.379
   29    HZ1  LYS   4           3HZ      LYS   4  12.084 -11.331  -8.758
   30    HZ2  LYS   4           1HZ      LYS   4  13.455 -11.708  -9.653
   31    HZ3  LYS   4           2HZ      LYS   4  13.246 -10.144  -9.069
   32    H    LEU   5           H        LEU   5   9.321  -7.173  -5.329
   33    HA   LEU   5           HA       LEU   5   9.440  -6.319  -2.536
   34    HB2  LEU   5           2HB      LEU   5   7.893  -4.989  -4.761
   35    HB3  LEU   5           1HB      LEU   5   8.148  -4.445  -3.103
   36    HG   LEU   5           HG       LEU   5  10.338  -4.715  -5.127
   37   HD11  LEU   5          1HD1      LEU   5   8.858  -2.248  -4.226
   38   HD12  LEU   5          2HD1      LEU   5   8.790  -2.978  -5.828
   39   HD13  LEU   5          3HD1      LEU   5  10.293  -2.258  -5.249
   40   HD21  LEU   5          3HD2      LEU   5  11.614  -3.340  -3.521
   41   HD22  LEU   5          1HD2      LEU   5  11.133  -4.904  -2.866
   42   HD23  LEU   5          2HD2      LEU   5  10.260  -3.445  -2.396
   43    H    CYS   6           H        CYS   6   7.806  -6.730  -1.311
   44    HA   CYS   6           HA       CYS   6   5.684  -8.466  -2.405
   45    HB2  CYS   6           2HB      CYS   6   6.591  -8.223   0.465
   46    HB3  CYS   6           1HB      CYS   6   5.494  -9.423  -0.197
   47    H    ASP   7           H        ASP   7   3.524  -8.132  -1.685
   48    HA   ASP   7           HA       ASP   7   2.952  -5.341  -1.106
   49    HB2  ASP   7           2HB      ASP   7   1.233  -7.643  -2.024
   50    HB3  ASP   7           1HB      ASP   7   0.553  -6.101  -1.536
   51    H    VAL   8           H        VAL   8   2.564  -4.719   0.860
   52    HA   VAL   8           HA       VAL   8   1.350  -6.654   2.670
   53    HB   VAL   8           HB       VAL   8   2.521  -5.555   4.601
   54   HG11  VAL   8          1HG1      VAL   8   3.351  -7.637   3.720
   55   HG12  VAL   8          2HG1      VAL   8   4.714  -6.611   4.182
   56   HG13  VAL   8          3HG1      VAL   8   4.265  -6.779   2.483
   57   HG21  VAL   8          3HG2      VAL   8   4.529  -4.200   4.150
   58   HG22  VAL   8          1HG2      VAL   8   3.062  -3.402   3.578
   59   HG23  VAL   8          2HG2      VAL   8   4.135  -4.203   2.430
   60    HA   PRO   9           HA       PRO   9  -1.899  -3.682   3.002
   61    HB2  PRO   9           2HB      PRO   9  -2.461  -4.771   5.676
   62    HB3  PRO   9           1HB      PRO   9  -3.480  -4.774   4.236
   63    HG2  PRO   9           2HG      PRO   9  -2.328  -7.017   5.185
   64    HG3  PRO   9           1HG      PRO   9  -2.605  -6.750   3.456
   65    HD2  PRO   9           2HD      PRO   9  -0.081  -6.532   5.032
   66    HD3  PRO   9           1HD      PRO   9  -0.360  -7.136   3.382
   67    H    SER  10           H        SER  10  -1.678  -1.620   3.548
   68    HA   SER  10           HA       SER  10   0.117  -0.739   5.533
   69    HB2  SER  10           2HB      SER  10  -0.941   1.500   4.997
   70    HB3  SER  10           1HB      SER  10  -0.242   0.646   3.617
   71    HG   SER  10           HG       SER  10  -2.183   0.169   2.898
   72    H    GLY  11           H        GLY  11  -0.271   0.016   7.580
   73    HA2  GLY  11           2HA      GLY  11  -2.840  -0.723   8.733
   74    HA3  GLY  11           1HA      GLY  11  -1.380  -0.294   9.621
   75    H    THR  12           H        THR  12  -0.835   2.061   8.149
   76    HA   THR  12           HA       THR  12  -2.515   3.810   9.598
   77    HB   THR  12           HB       THR  12  -1.022   5.532   8.234
   78    HG1  THR  12           1HG      THR  12   0.691   3.316   8.397
   79   HG21  THR  12          3HG2      THR  12  -0.996   5.232  10.658
   80   HG22  THR  12          1HG2      THR  12   0.643   5.317  10.017
   81   HG23  THR  12          2HG2      THR  12  -0.043   3.756  10.474
   82    H    TRP  13           H        TRP  13  -2.563   2.714   6.308
   83    HA   TRP  13           HA       TRP  13  -4.292   4.915   5.537
   84    HB2  TRP  13           2HB      TRP  13  -2.753   3.938   3.809
   85    HB3  TRP  13           1HB      TRP  13  -3.589   2.399   3.967
   86    HD1  TRP  13           HD       TRP  13  -6.330   2.519   3.231
   87    HE1  TRP  13           1HE      TRP  13  -7.417   3.846   1.272
   88    HE3  TRP  13           3HE      TRP  13  -2.582   5.864   2.298
   89    HZ2  TRP  13           2HZ      TRP  13  -6.744   5.971  -0.429
   90    HZ3  TRP  13           3HZ      TRP  13  -2.877   7.489   0.485
   91    HH2  TRP  13           HH       TRP  13  -4.913   7.537  -0.849
   92    H    SER  14           H        SER  14  -6.414   4.829   5.817
   93    HA   SER  14           HA       SER  14  -7.595   2.209   6.289
   94    HB2  SER  14           2HB      SER  14  -7.199   3.512   8.432
   95    HB3  SER  14           1HB      SER  14  -8.310   4.730   7.820
   96    HG   SER  14           HG       SER  14  -8.796   2.043   8.484
   97    H    GLY  15           H        GLY  15  -9.573   1.947   5.356
   98    HA2  GLY  15           2HA      GLY  15 -11.589   2.813   4.404
   99    HA3  GLY  15           1HA      GLY  15 -10.685   4.241   3.915
  100    H    HIS  16           H        HIS  16 -11.276   4.058   1.837
  101    HA   HIS  16           HA       HIS  16 -10.587   1.688   0.289
  102    HB2  HIS  16           2HB      HIS  16 -12.771   2.600  -0.125
  103    HB3  HIS  16           1HB      HIS  16 -12.139   4.228  -0.252
  104    HD1  HIS  16           1HD      HIS  16 -12.403   1.004  -2.228
  105    HD2  HIS  16           2HD      HIS  16 -11.366   4.993  -2.734
  106    HE1  HIS  16           1HE      HIS  16 -12.197   1.384  -4.737
  107    H    CYS  17           H        CYS  17  -8.963   1.738  -1.296
  108    HA   CYS  17           HA       CYS  17  -7.164   4.034  -1.172
  109    HB2  CYS  17           2HB      CYS  17  -6.298   1.645  -0.969
  110    HB3  CYS  17           1HB      CYS  17  -6.749   1.426  -2.652
  111    H    GLY  18           H        GLY  18  -7.989   5.600  -2.455
  112    HA2  GLY  18           2HA      GLY  18  -8.617   4.821  -5.226
  113    HA3  GLY  18           1HA      GLY  18  -9.454   6.110  -4.365
  114    H    SER  19           H        SER  19  -6.091   5.682  -3.896
  115    HA   SER  19           HA       SER  19  -5.391   7.619  -5.878
  116    HB2  SER  19           2HB      SER  19  -6.065   9.013  -3.937
  117    HB3  SER  19           1HB      SER  19  -4.885   8.158  -2.941
  118    HG   SER  19           HG       SER  19  -4.561  10.202  -4.653
  119    H    SER  20           H        SER  20  -3.906   6.514  -6.815
  120    HA   SER  20           HA       SER  20  -2.386   4.501  -5.544
  121    HB2  SER  20           2HB      SER  20  -1.986   5.822  -8.213
  122    HB3  SER  20           1HB      SER  20  -1.440   4.212  -7.726
  123    HG   SER  20           HG       SER  20  -3.482   3.506  -7.661
  124    H    SER  21           H        SER  21  -1.898   7.895  -6.289
  125    HA   SER  21           HA       SER  21   0.940   7.836  -5.953
  126    HB2  SER  21           2HB      SER  21   0.566  10.346  -6.135
  127    HB3  SER  21           1HB      SER  21   0.030   9.369  -7.504
  128    HG   SER  21           HG       SER  21  -1.384  11.030  -6.092
  129    H    LYS  22           H        LYS  22  -1.884   8.892  -4.067
  130    HA   LYS  22           HA       LYS  22  -0.266   9.839  -1.936
  131    HB2  LYS  22           2HB      LYS  22  -3.228   9.324  -2.097
  132    HB3  LYS  22           1HB      LYS  22  -2.440   9.936  -0.650
  133    HG2  LYS  22           2HG      LYS  22  -2.381  11.292  -3.340
  134    HG3  LYS  22           1HG      LYS  22  -3.478  11.715  -2.027
  135    HD2  LYS  22           2HD      LYS  22  -1.497  12.186  -0.595
  136    HD3  LYS  22           1HD      LYS  22  -0.457  11.861  -1.971
  137    HE2  LYS  22           2HE      LYS  22  -0.808  14.261  -1.643
  138    HE3  LYS  22           1HE      LYS  22  -1.428  13.721  -3.196
  139    HZ1  LYS  22           3HZ      LYS  22  -3.653  13.741  -2.291
  140    HZ2  LYS  22           1HZ      LYS  22  -2.943  15.241  -2.085
  141    HZ3  LYS  22           2HZ      LYS  22  -3.103  14.193  -0.770
  142    H    CYS  23           H        CYS  23  -1.686   6.805  -2.750
  143    HA   CYS  23           HA       CYS  23  -1.372   5.507  -0.304
  144    HB2  CYS  23           2HB      CYS  23  -2.538   4.412  -2.134
  145    HB3  CYS  23           1HB      CYS  23  -1.106   4.473  -3.143
  146    H    SER  24           H        SER  24   0.960   5.861  -3.030
  147    HA   SER  24           HA       SER  24   3.126   4.589  -1.828
  148    HB2  SER  24           2HB      SER  24   3.230   6.956  -3.715
  149    HB3  SER  24           1HB      SER  24   4.475   5.731  -3.475
  150    HG   SER  24           HG       SER  24   2.369   4.358  -4.132
  151    H    GLN  25           H        GLN  25   2.260   8.028  -1.922
  152    HA   GLN  25           HA       GLN  25   4.448   9.025  -0.528
  153    HB2  GLN  25           2HB      GLN  25   2.927  10.381  -1.908
  154    HB3  GLN  25           1HB      GLN  25   1.663  10.170  -0.708
  155    HG2  GLN  25           2HG      GLN  25   3.064  11.346   0.938
  156    HG3  GLN  25           1HG      GLN  25   4.274  11.602  -0.318
  157   HE21  GLN  25          1HE2      GLN  25   2.790  13.523   1.214
  158   HE22  GLN  25          2HE2      GLN  25   1.918  14.511   0.109
  159    H    GLN  26           H        GLN  26   1.139   8.361   0.726
  160    HA   GLN  26           HA       GLN  26   1.749   9.142   3.361
  161    HB2  GLN  26           2HB      GLN  26  -0.565   8.994   2.425
  162    HB3  GLN  26           1HB      GLN  26  -0.436   7.244   2.470
  163    HG2  GLN  26           2HG      GLN  26  -0.258   7.277   4.880
  164    HG3  GLN  26           1HG      GLN  26  -0.254   9.038   4.885
  165   HE21  GLN  26          1HE2      GLN  26  -2.181   6.192   4.610
  166   HE22  GLN  26          2HE2      GLN  26  -3.709   6.994   4.640
  167    H    CYS  27           H        CYS  27   1.867   6.073   1.717
  168    HA   CYS  27           HA       CYS  27   2.334   4.325   3.802
  169    HB2  CYS  27           2HB      CYS  27   1.933   3.566   1.554
  170    HB3  CYS  27           1HB      CYS  27   3.354   4.401   0.963
  171    H    LYS  28           H        LYS  28   4.787   5.921   1.756
  172    HA   LYS  28           HA       LYS  28   7.053   5.039   3.177
  173    HB2  LYS  28           2HB      LYS  28   6.777   7.512   1.492
  174    HB3  LYS  28           1HB      LYS  28   8.283   6.723   1.935
  175    HG2  LYS  28           2HG      LYS  28   7.568   4.743   0.637
  176    HG3  LYS  28           1HG      LYS  28   6.123   5.637   0.157
  177    HD2  LYS  28           2HD      LYS  28   8.976   6.428  -0.451
  178    HD3  LYS  28           1HD      LYS  28   7.826   5.715  -1.583
  179    HE2  LYS  28           2HE      LYS  28   6.390   7.659  -1.380
  180    HE3  LYS  28           1HE      LYS  28   7.482   8.373  -0.199
  181    HZ1  LYS  28           3HZ      LYS  28   7.852   9.306  -2.374
  182    HZ2  LYS  28           1HZ      LYS  28   8.152   7.780  -3.029
  183    HZ3  LYS  28           2HZ      LYS  28   9.207   8.429  -1.892
  184    H    ASP  29           H        ASP  29   5.354   8.135   3.156
  185    HA   ASP  29           HA       ASP  29   6.974   9.507   4.932
  186    HB2  ASP  29           2HB      ASP  29   5.431  10.699   3.559
  187    HB3  ASP  29           1HB      ASP  29   4.062   9.842   4.254
  188    H    ARG  30           H        ARG  30   4.054   7.598   5.597
  189    HA   ARG  30           HA       ARG  30   4.113   8.316   8.332
  190    HB2  ARG  30           2HB      ARG  30   2.546   6.168   6.934
  191    HB3  ARG  30           1HB      ARG  30   2.444   6.451   8.662
  192    HG2  ARG  30           2HG      ARG  30   1.723   8.404   6.483
  193    HG3  ARG  30           1HG      ARG  30   0.597   7.506   7.498
  194    HD2  ARG  30           2HD      ARG  30   1.566   8.659   9.486
  195    HD3  ARG  30           1HD      ARG  30   2.555   9.624   8.392
  196    HE   ARG  30           HE       ARG  30  -0.280   9.695   7.875
  197   HH11  ARG  30          1HH1      ARG  30   2.474  11.348   9.413
  198   HH12  ARG  30          2HH1      ARG  30   1.627  12.781   9.689
  199   HH21  ARG  30          1HH2      ARG  30  -1.423  11.665   8.259
  200   HH22  ARG  30          2HH2      ARG  30  -0.643  12.964   9.062
  201    H    GLU  31           H        GLU  31   4.772   5.050   6.883
  202    HA   GLU  31           HA       GLU  31   6.813   4.609   8.840
  203    HB2  GLU  31           2HB      GLU  31   5.599   3.027  10.342
  204    HB3  GLU  31           1HB      GLU  31   5.115   4.710  10.477
  205    HG2  GLU  31           2HG      GLU  31   3.142   4.229   9.093
  206    HG3  GLU  31           1HG      GLU  31   3.610   2.529   9.069
  207    H    HIS  32           H        HIS  32   6.023   3.819   5.997
  208    HA   HIS  32           HA       HIS  32   6.263   0.974   6.519
  209    HB2  HIS  32           2HB      HIS  32   5.199   2.262   4.027
  210    HB3  HIS  32           1HB      HIS  32   5.403   0.533   4.268
  211    HD1  HIS  32           1HD      HIS  32   3.320   3.439   5.382
  212    HD2  HIS  32           2HD      HIS  32   3.422  -0.689   5.689
  213    HE1  HIS  32           1HE      HIS  32   1.087   2.774   6.339
  214    H    PHE  33           H        PHE  33   6.918   1.854   3.291
  215    HA   PHE  33           HA       PHE  33   9.749   1.353   3.769
  216    HB2  PHE  33           2HB      PHE  33   8.030  -0.119   1.753
  217    HB3  PHE  33           1HB      PHE  33   9.757  -0.342   2.004
  218    HD1  PHE  33           1HD      PHE  33  10.568  -1.423   4.071
  219    HD2  PHE  33           2HD      PHE  33   6.417  -1.138   3.189
  220    HE1  PHE  33           1HE      PHE  33  10.086  -3.125   5.782
  221    HE2  PHE  33           2HE      PHE  33   5.932  -2.839   4.901
  222    HZ   PHE  33           HZ       PHE  33   7.768  -3.832   6.199
  223    H    ALA  34           H        ALA  34  11.052   1.956   2.046
  224    HA   ALA  34           HA       ALA  34  10.453   4.466   0.921
  225    HB1  ALA  34           1HB      ALA  34  12.681   2.529   0.384
  226    HB2  ALA  34           2HB      ALA  34  12.699   3.853   1.554
  227    HB3  ALA  34           3HB      ALA  34  12.643   4.192  -0.179
  228    H    TYR  35           H        TYR  35   9.764   1.344  -0.159
  229    HA   TYR  35           HA       TYR  35   9.875   1.983  -2.968
  230    HB2  TYR  35           2HB      TYR  35   8.928  -0.529  -1.566
  231    HB3  TYR  35           1HB      TYR  35   9.134  -0.341  -3.308
  232    HD1  TYR  35           1HD      TYR  35  11.382  -0.093  -4.265
  233    HD2  TYR  35           2HD      TYR  35  10.830  -0.878  -0.130
  234    HE1  TYR  35           1HE      TYR  35  13.754  -0.677  -4.066
  235    HE2  TYR  35           2HE      TYR  35  13.193  -1.448   0.090
  236    HH   TYR  35           HH       TYR  35  15.069  -2.114  -1.215
  237    H    GLY  36           H        GLY  36   7.767   2.646  -0.544
  238    HA2  GLY  36           2HA      GLY  36   5.767   3.740  -0.666
  239    HA3  GLY  36           1HA      GLY  36   5.844   3.606  -2.415
  240    H    GLY  37           H        GLY  37   3.766   3.008  -2.738
  241    HA2  GLY  37           2HA      GLY  37   3.101   0.319  -2.331
  242    HA3  GLY  37           1HA      GLY  37   2.222   1.376  -1.218
  243    H    ALA  38           H        ALA  38   0.764   0.018  -2.954
  244    HA   ALA  38           HA       ALA  38  -0.254   2.110  -4.667
  245    HB1  ALA  38           1HB      ALA  38   0.497  -0.608  -5.740
  246    HB2  ALA  38           2HB      ALA  38   1.303   0.914  -6.126
  247    HB3  ALA  38           3HB      ALA  38  -0.366   0.647  -6.632
  248    H    CYS  39           H        CYS  39  -2.397   1.359  -5.587
  249    HA   CYS  39           HA       CYS  39  -3.874   0.228  -3.408
  250    HB2  CYS  39           2HB      CYS  39  -4.799   1.183  -6.132
  251    HB3  CYS  39           1HB      CYS  39  -5.851   0.757  -4.795
  252    H    HIS  40           H        HIS  40  -4.245  -1.860  -3.187
  253    HA   HIS  40           HA       HIS  40  -4.372  -3.576  -5.567
  254    HB2  HIS  40           2HB      HIS  40  -2.161  -3.794  -4.390
  255    HB3  HIS  40           1HB      HIS  40  -3.015  -4.218  -2.922
  256    HD1  HIS  40           1HD      HIS  40  -3.401  -6.718  -2.554
  257    HD2  HIS  40           2HD      HIS  40  -2.374  -5.762  -6.474
  258    HE1  HIS  40           1HE      HIS  40  -2.957  -8.902  -3.699
  259    H    TYR  41           H        TYR  41  -6.189  -4.849  -5.567
  260    HA   TYR  41           HA       TYR  41  -8.117  -4.274  -3.620
  261    HB2  TYR  41           2HB      TYR  41  -8.724  -4.779  -5.987
  262    HB3  TYR  41           1HB      TYR  41  -8.362  -6.478  -5.681
  263    HD1  TYR  41           1HD      TYR  41 -10.606  -3.688  -4.753
  264    HD2  TYR  41           2HD      TYR  41 -10.006  -7.896  -4.546
  265    HE1  TYR  41           1HE      TYR  41 -12.872  -3.963  -3.888
  266    HE2  TYR  41           2HE      TYR  41 -12.292  -8.172  -3.686
  267    HH   TYR  41           HH       TYR  41 -14.599  -5.680  -3.772
  268    H    GLN  42           H        GLN  42  -9.002  -5.414  -2.033
  269    HA   GLN  42           HA       GLN  42  -8.367  -8.115  -1.445
  270    HB2  GLN  42           2HB      GLN  42  -6.508  -6.932  -0.310
  271    HB3  GLN  42           1HB      GLN  42  -7.648  -5.806   0.407
  272    HG2  GLN  42           2HG      GLN  42  -8.619  -7.582   1.732
  273    HG3  GLN  42           1HG      GLN  42  -7.566  -8.767   0.974
  274   HE21  GLN  42          1HE2      GLN  42  -7.780  -6.142   3.218
  275   HE22  GLN  42          2HE2      GLN  42  -6.257  -6.403   3.978
  276    H    PHE  43           H        PHE  43 -10.082  -8.845  -0.032
  277    HA   PHE  43           HA       PHE  43 -12.476  -7.430  -0.269
  278    HB2  PHE  43           2HB      PHE  43 -12.383  -9.882   0.063
  279    HB3  PHE  43           1HB      PHE  43 -11.708  -9.647   1.666
  280    HD1  PHE  43           2HD      PHE  43 -14.738  -9.371  -0.391
  281    HD2  PHE  43           1HD      PHE  43 -13.117  -9.119   3.537
  282    HE1  PHE  43           2HE      PHE  43 -17.007  -9.390   0.544
  283    HE2  PHE  43           1HE      PHE  43 -15.387  -9.141   4.475
  284    HZ   PHE  43           HZ       PHE  43 -17.334  -9.275   2.982
  285    HA   PRO  44           HA       PRO  44 -14.136  -6.660   0.483
  286    HB2  PRO  44           2HB      PRO  44 -15.729  -4.868   1.578
  287    HB3  PRO  44           1HB      PRO  44 -15.401  -6.402   2.391
  288    HG2  PRO  44           2HG      PRO  44 -14.444  -3.676   3.060
  289    HG3  PRO  44           1HG      PRO  44 -14.662  -5.077   4.116
  290    HD2  PRO  44           2HD      PRO  44 -12.235  -4.143   2.864
  291    HD3  PRO  44           1HD      PRO  44 -12.443  -5.527   3.956
  292    H    SER  45           H        SER  45 -11.813  -4.307   0.539
  293    HA   SER  45           HA       SER  45 -12.775  -3.056  -1.817
  294    HB2  SER  45           2HB      SER  45 -13.902  -1.726   0.082
  295    HB3  SER  45           1HB      SER  45 -12.268  -1.234   0.538
  296    HG   SER  45           HG       SER  45 -13.869  -0.265  -1.337
  297    H    VAL  46           H        VAL  46 -11.128  -1.849  -2.764
  298    HA   VAL  46           HA       VAL  46  -8.617  -3.030  -2.413
  299    HB   VAL  46           HB       VAL  46  -9.162  -2.316  -4.645
  300   HG11  VAL  46          1HG1      VAL  46  -9.349   0.455  -3.562
  301   HG12  VAL  46          2HG1      VAL  46 -10.678  -0.569  -4.166
  302   HG13  VAL  46          3HG1      VAL  46  -9.396  -0.021  -5.264
  303   HG21  VAL  46          3HG2      VAL  46  -7.020  -0.515  -3.586
  304   HG22  VAL  46          1HG2      VAL  46  -7.304  -0.886  -5.289
  305   HG23  VAL  46          2HG2      VAL  46  -6.816  -2.164  -4.175
  306    H    LYS  47           H        LYS  47  -6.867  -2.588  -1.398
  307    HA   LYS  47           HA       LYS  47  -7.038  -0.343   0.487
  308    HB2  LYS  47           2HB      LYS  47  -7.205  -2.867   1.230
  309    HB3  LYS  47           1HB      LYS  47  -5.483  -2.866   0.932
  310    HG2  LYS  47           2HG      LYS  47  -5.867  -2.526   3.275
  311    HG3  LYS  47           1HG      LYS  47  -5.211  -1.044   2.580
  312    HD2  LYS  47           2HD      LYS  47  -7.057  -0.588   4.154
  313    HD3  LYS  47           1HD      LYS  47  -7.451  -0.052   2.524
  314    HE2  LYS  47           2HE      LYS  47  -8.800  -2.070   2.174
  315    HE3  LYS  47           1HE      LYS  47  -8.361  -2.655   3.779
  316    HZ1  LYS  47           3HZ      LYS  47  -9.539  -0.841   4.747
  317    HZ2  LYS  47           1HZ      LYS  47 -10.567  -1.612   3.679
  318    HZ3  LYS  47           2HZ      LYS  47  -9.870  -0.144   3.244
  319    H    CYS  48           H        CYS  48  -4.844   0.381   1.182
  320    HA   CYS  48           HA       CYS  48  -3.091   0.654  -1.077
  321    HB2  CYS  48           2HB      CYS  48  -3.609   2.582   0.377
  322    HB3  CYS  48           1HB      CYS  48  -2.994   1.716   1.768
  323    H    PHE  49           H        PHE  49  -1.665  -0.920  -1.465
  324    HA   PHE  49           HA       PHE  49  -0.608  -2.413   0.810
  325    HB2  PHE  49           2HB      PHE  49  -1.037  -3.251  -2.050
  326    HB3  PHE  49           1HB      PHE  49   0.129  -4.055  -1.019
  327    HD1  PHE  49           1HD      PHE  49  -3.490  -3.123  -1.096
  328    HD2  PHE  49           2HD      PHE  49  -0.510  -5.825   0.282
  329    HE1  PHE  49           1HE      PHE  49  -5.236  -4.614  -0.210
  330    HE2  PHE  49           2HE      PHE  49  -2.238  -7.297   1.167
  331    HZ   PHE  49           HZ       PHE  49  -4.605  -6.702   0.931
  332    H    CYS  50           H        CYS  50   1.308  -2.070   1.327
  333    HA   CYS  50           HA       CYS  50   2.929  -0.360  -0.315
  334    HB2  CYS  50           2HB      CYS  50   3.223  -1.347   2.503
  335    HB3  CYS  50           1HB      CYS  50   4.431  -0.359   1.686
  336    H    LYS  51           H        LYS  51   5.001  -0.790  -0.888
  337    HA   LYS  51           HA       LYS  51   5.453  -3.601  -1.479
  338    HB2  LYS  51           2HB      LYS  51   6.771  -1.104  -2.549
  339    HB3  LYS  51           1HB      LYS  51   7.138  -2.736  -3.038
  340    HG2  LYS  51           2HG      LYS  51   4.432  -1.466  -3.391
  341    HG3  LYS  51           1HG      LYS  51   5.706  -1.565  -4.614
  342    HD2  LYS  51           2HD      LYS  51   5.646  -4.011  -4.490
  343    HD3  LYS  51           1HD      LYS  51   4.367  -3.921  -3.280
  344    HE2  LYS  51           2HE      LYS  51   4.136  -2.763  -6.049
  345    HE3  LYS  51           1HE      LYS  51   3.585  -4.381  -5.625
  346    HZ1  LYS  51           3HZ      LYS  51   2.570  -1.879  -4.352
  347    HZ2  LYS  51           1HZ      LYS  51   2.030  -3.476  -4.121
  348    HZ3  LYS  51           2HZ      LYS  51   1.822  -2.741  -5.616
  349    H    ARG  52           H        ARG  52   6.480  -4.521   0.041
  350    HA   ARG  52           HA       ARG  52   8.623  -3.082   1.424
  351    HB2  ARG  52           2HB      ARG  52   8.756  -4.955   2.984
  352    HB3  ARG  52           1HB      ARG  52   7.123  -4.323   2.907
  353    HG2  ARG  52           2HG      ARG  52   6.309  -6.205   1.857
  354    HG3  ARG  52           1HG      ARG  52   7.895  -6.647   1.217
  355    HD2  ARG  52           2HD      ARG  52   7.168  -6.703   4.137
  356    HD3  ARG  52           1HD      ARG  52   7.126  -8.113   3.073
  357    HE   ARG  52           HE       ARG  52   9.636  -7.063   2.759
  358   HH11  ARG  52          1HH1      ARG  52   7.818  -8.242   5.556
  359   HH12  ARG  52          2HH1      ARG  52   9.205  -8.823   6.359
  360   HH21  ARG  52          1HH2      ARG  52  11.486  -7.830   3.843
  361   HH22  ARG  52          2HH2      ARG  52  11.345  -8.585   5.372
  362    H    GLN  53           H        GLN  53  10.700  -4.098   1.665
  363    HA   GLN  53           HA       GLN  53  11.418  -5.310  -0.837
  364    HB2  GLN  53           2HB      GLN  53  12.749  -3.469   0.231
  365    HB3  GLN  53           1HB      GLN  53  13.191  -4.608   1.497
  366    HG2  GLN  53           2HG      GLN  53  14.184  -6.073  -0.223
  367    HG3  GLN  53           1HG      GLN  53  13.749  -4.836  -1.409
  368   HE21  GLN  53          1HE2      GLN  53  16.364  -5.921  -0.579
  369   HE22  GLN  53          2HE2      GLN  53  17.287  -4.517  -0.164
  370    H    CYS  54           H        CYS  54  11.828  -7.407  -1.080
  371    HA   CYS  54           HA       CYS  54  12.031  -8.987   1.348
  372    HB2  CYS  54           2HB      CYS  54  10.716  -9.691  -1.280
  373    HB3  CYS  54           1HB      CYS  54  10.923 -10.806   0.071
  Start of MODEL   12
    1    H1   ASP   1           1HT      ASP   1  10.621  -9.638 -11.065
    2    H2   ASP   1           2HT      ASP   1  11.054  -9.169 -12.632
    3    H3   ASP   1           3HT      ASP   1   9.556  -8.706 -11.990
    4    HA   ASP   1           HA       ASP   1  11.183  -6.915 -12.004
    5    HB2  ASP   1           2HB      ASP   1  10.291  -7.956  -9.312
    6    HB3  ASP   1           1HB      ASP   1  10.987  -6.359  -9.558
    7    H    GLY   2           H        GLY   2  13.061  -6.040 -10.852
    8    HA2  GLY   2           2HA      GLY   2  15.159  -8.002 -10.712
    9    HA3  GLY   2           1HA      GLY   2  15.316  -6.262 -10.456
   10    H    VAL   3           H        VAL   3  13.838  -5.598  -8.493
   11    HA   VAL   3           HA       VAL   3  14.869  -7.127  -6.247
   12    HB   VAL   3           HB       VAL   3  15.222  -4.651  -6.325
   13   HG11  VAL   3          1HG1      VAL   3  13.392  -3.125  -5.793
   14   HG12  VAL   3          2HG1      VAL   3  12.253  -4.453  -5.998
   15   HG13  VAL   3          3HG1      VAL   3  13.216  -3.896  -7.371
   16   HG21  VAL   3          3HG2      VAL   3  14.596  -4.164  -4.010
   17   HG22  VAL   3          1HG2      VAL   3  15.304  -5.769  -4.182
   18   HG23  VAL   3          2HG2      VAL   3  13.558  -5.591  -3.996
   19    H    LYS   4           H        LYS   4  13.501  -7.977  -4.646
   20    HA   LYS   4           HA       LYS   4  10.887  -8.639  -5.717
   21    HB2  LYS   4           2HB      LYS   4  12.521  -9.944  -3.513
   22    HB3  LYS   4           1HB      LYS   4  10.902 -10.444  -3.952
   23    HG2  LYS   4           2HG      LYS   4  12.458 -11.971  -4.959
   24    HG3  LYS   4           1HG      LYS   4  11.749 -10.998  -6.240
   25    HD2  LYS   4           2HD      LYS   4  13.787  -9.572  -6.225
   26    HD3  LYS   4           1HD      LYS   4  14.490 -10.630  -5.005
   27    HE2  LYS   4           2HE      LYS   4  14.428 -12.498  -6.550
   28    HE3  LYS   4           1HE      LYS   4  13.617 -11.501  -7.758
   29    HZ1  LYS   4           3HZ      LYS   4  16.408 -11.166  -6.761
   30    HZ2  LYS   4           1HZ      LYS   4  15.615 -10.057  -7.761
   31    HZ3  LYS   4           2HZ      LYS   4  15.903 -11.601  -8.311
   32    H    LEU   5           H        LEU   5   9.433  -7.190  -5.155
   33    HA   LEU   5           HA       LEU   5   9.473  -6.187  -2.414
   34    HB2  LEU   5           2HB      LEU   5   7.805  -5.141  -4.687
   35    HB3  LEU   5           1HB      LEU   5   8.115  -4.443  -3.101
   36    HG   LEU   5           HG       LEU   5  10.198  -4.806  -5.208
   37   HD11  LEU   5          1HD1      LEU   5   8.498  -3.194  -5.906
   38   HD12  LEU   5          2HD1      LEU   5  10.028  -2.393  -5.546
   39   HD13  LEU   5          3HD1      LEU   5   8.702  -2.322  -4.386
   40   HD21  LEU   5          3HD2      LEU   5  10.214  -3.363  -2.564
   41   HD22  LEU   5          1HD2      LEU   5  11.483  -3.237  -3.790
   42   HD23  LEU   5          2HD2      LEU   5  11.146  -4.789  -3.039
   43    H    CYS   6           H        CYS   6   7.979  -6.641  -1.107
   44    HA   CYS   6           HA       CYS   6   5.772  -8.413  -1.948
   45    HB2  CYS   6           2HB      CYS   6   6.744  -7.891   0.872
   46    HB3  CYS   6           1HB      CYS   6   5.709  -9.201   0.322
   47    H    ASP   7           H        ASP   7   3.732  -7.621  -1.874
   48    HA   ASP   7           HA       ASP   7   3.268  -4.883  -1.136
   49    HB2  ASP   7           2HB      ASP   7   1.313  -7.034  -2.037
   50    HB3  ASP   7           1HB      ASP   7   0.896  -5.351  -1.808
   51    H    VAL   8           H        VAL   8   2.833  -4.212   0.789
   52    HA   VAL   8           HA       VAL   8   1.822  -6.047   2.881
   53    HB   VAL   8           HB       VAL   8   3.345  -3.448   3.196
   54   HG11  VAL   8          1HG1      VAL   8   3.699  -4.149   5.507
   55   HG12  VAL   8          2HG1      VAL   8   2.694  -5.572   5.226
   56   HG13  VAL   8          3HG1      VAL   8   1.988  -3.958   5.126
   57   HG21  VAL   8          3HG2      VAL   8   5.287  -4.764   3.771
   58   HG22  VAL   8          1HG2      VAL   8   4.750  -5.112   2.132
   59   HG23  VAL   8          2HG2      VAL   8   4.401  -6.257   3.434
   60    HA   PRO   9           HA       PRO   9  -1.807  -3.322   2.695
   61    HB2  PRO   9           2HB      PRO   9  -2.489  -4.542   5.291
   62    HB3  PRO   9           1HB      PRO   9  -3.412  -4.533   3.788
   63    HG2  PRO   9           2HG      PRO   9  -2.219  -6.755   4.702
   64    HG3  PRO   9           1HG      PRO   9  -2.359  -6.403   2.971
   65    HD2  PRO   9           2HD      PRO   9   0.008  -6.133   4.774
   66    HD3  PRO   9           1HD      PRO   9  -0.082  -6.678   3.084
   67    H    SER  10           H        SER  10  -1.714  -1.267   3.303
   68    HA   SER  10           HA       SER  10  -0.274  -0.452   5.654
   69    HB2  SER  10           2HB      SER  10  -0.278   0.850   3.454
   70    HB3  SER  10           1HB      SER  10  -1.967   1.233   3.779
   71    HG   SER  10           HG       SER  10   0.254   1.913   5.408
   72    H    GLY  11           H        GLY  11  -1.243  -0.729   7.537
   73    HA2  GLY  11           2HA      GLY  11  -4.046  -1.154   7.822
   74    HA3  GLY  11           1HA      GLY  11  -2.876  -1.056   9.126
   75    H    THR  12           H        THR  12  -2.183   1.638   7.749
   76    HA   THR  12           HA       THR  12  -3.893   3.194   9.450
   77    HB   THR  12           HB       THR  12  -2.537   5.132   8.550
   78    HG1  THR  12           1HG      THR  12  -0.851   3.130   7.447
   79   HG21  THR  12          3HG2      THR  12  -0.501   4.487   9.764
   80   HG22  THR  12          1HG2      THR  12  -1.031   2.807   9.745
   81   HG23  THR  12          2HG2      THR  12  -1.956   4.008  10.641
   82    H    TRP  13           H        TRP  13  -4.051   2.104   6.276
   83    HA   TRP  13           HA       TRP  13  -5.575   4.407   5.349
   84    HB2  TRP  13           2HB      TRP  13  -3.816   3.281   3.910
   85    HB3  TRP  13           1HB      TRP  13  -4.881   1.884   3.836
   86    HD1  TRP  13           HD       TRP  13  -7.279   2.303   2.543
   87    HE1  TRP  13           1HE      TRP  13  -7.838   3.872   0.567
   88    HE3  TRP  13           3HE      TRP  13  -3.271   5.430   2.850
   89    HZ2  TRP  13           2HZ      TRP  13  -6.696   6.106  -0.695
   90    HZ3  TRP  13           3HZ      TRP  13  -3.072   7.256   1.223
   91    HH2  TRP  13           HH       TRP  13  -4.756   7.584  -0.517
   92    H    SER  14           H        SER  14  -7.764   4.284   4.956
   93    HA   SER  14           HA       SER  14  -9.080   1.751   5.483
   94    HB2  SER  14           2HB      SER  14  -9.817   4.434   6.663
   95    HB3  SER  14           1HB      SER  14 -10.759   2.954   6.838
   96    HG   SER  14           HG       SER  14  -8.497   2.178   7.595
   97    H    GLY  15           H        GLY  15 -10.858   1.414   4.191
   98    HA2  GLY  15           2HA      GLY  15 -12.604   2.033   2.790
   99    HA3  GLY  15           1HA      GLY  15 -11.898   3.640   2.666
  100    H    HIS  16           H        HIS  16 -12.233   3.507   0.466
  101    HA   HIS  16           HA       HIS  16 -10.893   1.503  -1.118
  102    HB2  HIS  16           2HB      HIS  16 -13.091   2.231  -1.833
  103    HB3  HIS  16           1HB      HIS  16 -12.589   3.910  -1.815
  104    HD1  HIS  16           1HD      HIS  16 -12.561   0.844  -3.974
  105    HD2  HIS  16           2HD      HIS  16 -11.077   4.719  -4.040
  106    HE1  HIS  16           1HE      HIS  16 -11.883   1.295  -6.360
  107    H    CYS  17           H        CYS  17  -8.897   1.697  -1.733
  108    HA   CYS  17           HA       CYS  17  -7.492   4.212  -1.559
  109    HB2  CYS  17           2HB      CYS  17  -6.448   1.999  -0.950
  110    HB3  CYS  17           1HB      CYS  17  -6.518   1.557  -2.646
  111    H    GLY  18           H        GLY  18  -8.143   5.602  -3.111
  112    HA2  GLY  18           2HA      GLY  18  -8.131   4.598  -5.869
  113    HA3  GLY  18           1HA      GLY  18  -9.136   5.928  -5.315
  114    H    SER  19           H        SER  19  -6.024   5.793  -3.998
  115    HA   SER  19           HA       SER  19  -4.859   7.498  -6.024
  116    HB2  SER  19           2HB      SER  19  -6.016   9.055  -4.497
  117    HB3  SER  19           1HB      SER  19  -5.162   8.340  -3.135
  118    HG   SER  19           HG       SER  19  -4.196   9.978  -5.195
  119    H    SER  20           H        SER  20  -3.130   6.244  -6.423
  120    HA   SER  20           HA       SER  20  -1.885   4.819  -4.308
  121    HB2  SER  20           2HB      SER  20  -1.091   5.127  -7.203
  122    HB3  SER  20           1HB      SER  20  -0.322   4.018  -6.059
  123    HG   SER  20           HG       SER  20  -3.094   4.052  -6.554
  124    H    SER  21           H        SER  21  -1.451   7.931  -5.776
  125    HA   SER  21           HA       SER  21   1.214   8.330  -4.926
  126    HB2  SER  21           2HB      SER  21   0.545  10.762  -5.268
  127    HB3  SER  21           1HB      SER  21   0.375   9.701  -6.670
  128    HG   SER  21           HG       SER  21  -1.493  10.824  -6.514
  129    H    LYS  22           H        LYS  22  -1.969   9.062  -3.532
  130    HA   LYS  22           HA       LYS  22  -0.870  10.177  -1.165
  131    HB2  LYS  22           2HB      LYS  22  -3.621   9.093  -1.752
  132    HB3  LYS  22           1HB      LYS  22  -3.186   9.825  -0.213
  133    HG2  LYS  22           2HG      LYS  22  -2.704  11.925  -1.310
  134    HG3  LYS  22           1HG      LYS  22  -3.024  11.202  -2.887
  135    HD2  LYS  22           2HD      LYS  22  -5.341  10.805  -2.246
  136    HD3  LYS  22           1HD      LYS  22  -5.023  11.478  -0.646
  137    HE2  LYS  22           2HE      LYS  22  -6.130  13.106  -2.098
  138    HE3  LYS  22           1HE      LYS  22  -4.520  13.640  -1.637
  139    HZ1  LYS  22           3HZ      LYS  22  -5.055  14.018  -3.981
  140    HZ2  LYS  22           1HZ      LYS  22  -5.187  12.376  -4.258
  141    HZ3  LYS  22           2HZ      LYS  22  -3.698  13.047  -3.821
  142    H    CYS  23           H        CYS  23  -1.891   6.971  -2.112
  143    HA   CYS  23           HA       CYS  23  -1.598   5.618   0.292
  144    HB2  CYS  23           2HB      CYS  23  -2.513   4.500  -1.657
  145    HB3  CYS  23           1HB      CYS  23  -1.012   4.755  -2.536
  146    H    SER  24           H        SER  24   0.881   6.099  -2.248
  147    HA   SER  24           HA       SER  24   2.940   4.936  -0.811
  148    HB2  SER  24           2HB      SER  24   4.413   6.279  -2.427
  149    HB3  SER  24           1HB      SER  24   3.290   5.098  -3.103
  150    HG   SER  24           HG       SER  24   1.991   6.659  -3.760
  151    H    GLN  25           H        GLN  25   2.069   8.377  -1.045
  152    HA   GLN  25           HA       GLN  25   4.231   9.249   0.521
  153    HB2  GLN  25           2HB      GLN  25   1.556  10.542   0.041
  154    HB3  GLN  25           1HB      GLN  25   2.911  11.343   0.830
  155    HG2  GLN  25           2HG      GLN  25   4.263  11.095  -1.159
  156    HG3  GLN  25           1HG      GLN  25   2.973  10.194  -1.948
  157   HE21  GLN  25          1HE2      GLN  25   1.200  11.264  -2.655
  158   HE22  GLN  25          2HE2      GLN  25   1.135  12.983  -2.863
  159    H    GLN  26           H        GLN  26   0.935   8.346   1.501
  160    HA   GLN  26           HA       GLN  26   1.258   8.977   4.261
  161    HB2  GLN  26           2HB      GLN  26  -0.962   8.493   3.149
  162    HB3  GLN  26           1HB      GLN  26  -0.490   6.805   3.078
  163    HG2  GLN  26           2HG      GLN  26  -0.336   6.768   5.535
  164    HG3  GLN  26           1HG      GLN  26  -0.883   8.442   5.574
  165   HE21  GLN  26          1HE2      GLN  26  -1.805   5.135   5.143
  166   HE22  GLN  26          2HE2      GLN  26  -3.501   5.418   5.089
  167    H    CYS  27           H        CYS  27   1.662   6.040   2.387
  168    HA   CYS  27           HA       CYS  27   2.397   4.272   4.351
  169    HB2  CYS  27           2HB      CYS  27   1.954   3.521   2.127
  170    HB3  CYS  27           1HB      CYS  27   3.258   4.504   1.476
  171    H    LYS  28           H        LYS  28   4.549   6.339   2.385
  172    HA   LYS  28           HA       LYS  28   6.968   5.549   3.599
  173    HB2  LYS  28           2HB      LYS  28   6.265   8.097   2.136
  174    HB3  LYS  28           1HB      LYS  28   7.889   7.625   2.623
  175    HG2  LYS  28           2HG      LYS  28   7.883   5.800   1.123
  176    HG3  LYS  28           1HG      LYS  28   6.167   6.038   0.762
  177    HD2  LYS  28           2HD      LYS  28   6.610   8.169  -0.250
  178    HD3  LYS  28           1HD      LYS  28   8.301   8.106   0.242
  179    HE2  LYS  28           2HE      LYS  28   6.974   6.174  -1.648
  180    HE3  LYS  28           1HE      LYS  28   7.947   7.558  -2.145
  181    HZ1  LYS  28           3HZ      LYS  28   9.251   5.534  -2.134
  182    HZ2  LYS  28           1HZ      LYS  28   8.943   5.296  -0.482
  183    HZ3  LYS  28           2HZ      LYS  28   9.825   6.637  -1.030
  184    H    ASP  29           H        ASP  29   4.660   8.084   4.386
  185    HA   ASP  29           HA       ASP  29   6.362   9.303   6.331
  186    HB2  ASP  29           2HB      ASP  29   4.559  10.585   5.250
  187    HB3  ASP  29           1HB      ASP  29   3.368   9.533   6.006
  188    H    ARG  30           H        ARG  30   3.864   6.864   6.402
  189    HA   ARG  30           HA       ARG  30   3.781   6.621   9.239
  190    HB2  ARG  30           2HB      ARG  30   3.076   4.569   7.131
  191    HB3  ARG  30           1HB      ARG  30   2.763   4.384   8.842
  192    HG2  ARG  30           2HG      ARG  30   1.533   6.446   7.017
  193    HG3  ARG  30           1HG      ARG  30   0.752   4.986   7.607
  194    HD2  ARG  30           2HD      ARG  30  -0.086   6.694   8.978
  195    HD3  ARG  30           1HD      ARG  30   1.171   5.938   9.950
  196    HE   ARG  30           HE       ARG  30   2.318   8.056   8.566
  197   HH11  ARG  30          1HH1      ARG  30  -0.052   7.558  11.168
  198   HH12  ARG  30          2HH1      ARG  30   0.158   9.109  11.818
  199   HH21  ARG  30          1HH2      ARG  30   2.578  10.187   9.482
  200   HH22  ARG  30          2HH2      ARG  30   1.680  10.623  10.860
  201    H    GLU  31           H        GLU  31   5.419   4.688   6.717
  202    HA   GLU  31           HA       GLU  31   7.472   3.936   8.648
  203    HB2  GLU  31           2HB      GLU  31   5.954   2.022   6.873
  204    HB3  GLU  31           1HB      GLU  31   7.358   1.601   7.843
  205    HG2  GLU  31           2HG      GLU  31   6.152   2.026   9.867
  206    HG3  GLU  31           1HG      GLU  31   4.777   2.644   8.959
  207    H    HIS  32           H        HIS  32   9.440   3.314   7.534
  208    HA   HIS  32           HA       HIS  32   9.548   4.911   5.168
  209    HB2  HIS  32           2HB      HIS  32  11.826   3.821   6.801
  210    HB3  HIS  32           1HB      HIS  32  12.022   4.810   5.353
  211    HD1  HIS  32           1HD      HIS  32  11.143   7.341   5.537
  212    HD2  HIS  32           2HD      HIS  32  11.165   5.150   9.057
  213    HE1  HIS  32           1HE      HIS  32  10.834   9.014   7.390
  214    H    PHE  33           H        PHE  33   8.390   3.468   3.991
  215    HA   PHE  33           HA       PHE  33   9.905   1.282   2.838
  216    HB2  PHE  33           2HB      PHE  33   7.098   2.292   2.271
  217    HB3  PHE  33           1HB      PHE  33   7.840   0.968   1.392
  218    HD1  PHE  33           2HD      PHE  33   8.553  -1.101   2.751
  219    HD2  PHE  33           1HD      PHE  33   5.942   1.896   4.277
  220    HE1  PHE  33           2HE      PHE  33   7.738  -2.672   4.453
  221    HE2  PHE  33           1HE      PHE  33   5.128   0.304   5.973
  222    HZ   PHE  33           HZ       PHE  33   6.023  -1.971   6.054
  223    H    ALA  34           H        ALA  34  11.389   1.826   1.477
  224    HA   ALA  34           HA       ALA  34  11.688   4.334   0.257
  225    HB1  ALA  34           1HB      ALA  34  12.996   1.731  -0.507
  226    HB2  ALA  34           2HB      ALA  34  13.562   2.836   0.744
  227    HB3  ALA  34           3HB      ALA  34  13.554   3.345  -0.944
  228    H    TYR  35           H        TYR  35  10.165   1.430  -0.802
  229    HA   TYR  35           HA       TYR  35   9.909   2.427  -3.516
  230    HB2  TYR  35           2HB      TYR  35   9.138  -0.229  -2.289
  231    HB3  TYR  35           1HB      TYR  35   8.916   0.190  -3.983
  232    HD1  TYR  35           2HD      TYR  35  11.504  -0.304  -1.370
  233    HD2  TYR  35           1HD      TYR  35  10.680  -0.037  -5.507
  234    HE1  TYR  35           2HE      TYR  35  13.771  -1.060  -1.836
  235    HE2  TYR  35           1HE      TYR  35  12.975  -0.801  -6.015
  236    HH   TYR  35           HH       TYR  35  15.052  -2.098  -3.600
  237    H    GLY  36           H        GLY  36   8.310   2.947  -0.714
  238    HA2  GLY  36           2HA      GLY  36   6.311   3.902  -0.256
  239    HA3  GLY  36           1HA      GLY  36   6.116   4.153  -1.981
  240    H    GLY  37           H        GLY  37   4.118   3.492  -2.438
  241    HA2  GLY  37           2HA      GLY  37   3.402   0.785  -2.191
  242    HA3  GLY  37           1HA      GLY  37   2.569   1.789  -1.001
  243    H    ALA  38           H        ALA  38   1.115   0.506  -2.843
  244    HA   ALA  38           HA       ALA  38  -0.032   2.703  -4.315
  245    HB1  ALA  38           1HB      ALA  38   1.500   1.771  -5.962
  246    HB2  ALA  38           2HB      ALA  38  -0.162   1.371  -6.405
  247    HB3  ALA  38           3HB      ALA  38   0.875   0.154  -5.660
  248    H    CYS  39           H        CYS  39  -2.145   1.899  -5.281
  249    HA   CYS  39           HA       CYS  39  -3.555   0.574  -3.175
  250    HB2  CYS  39           2HB      CYS  39  -4.496   1.521  -5.876
  251    HB3  CYS  39           1HB      CYS  39  -5.537   1.087  -4.523
  252    H    HIS  40           H        HIS  40  -4.318  -1.497  -3.126
  253    HA   HIS  40           HA       HIS  40  -4.244  -3.132  -5.531
  254    HB2  HIS  40           2HB      HIS  40  -2.029  -3.412  -4.418
  255    HB3  HIS  40           1HB      HIS  40  -2.840  -3.859  -2.933
  256    HD1  HIS  40           1HD      HIS  40  -1.446  -5.287  -6.026
  257    HD2  HIS  40           2HD      HIS  40  -4.133  -6.422  -3.064
  258    HE1  HIS  40           1HE      HIS  40  -1.702  -7.779  -6.234
  259    H    TYR  41           H        TYR  41  -5.856  -4.714  -5.491
  260    HA   TYR  41           HA       TYR  41  -7.911  -4.424  -3.413
  261    HB2  TYR  41           2HB      TYR  41  -8.340  -4.466  -5.967
  262    HB3  TYR  41           1HB      TYR  41  -8.042  -6.193  -5.849
  263    HD1  TYR  41           1HD      TYR  41  -9.511  -7.362  -3.840
  264    HD2  TYR  41           2HD      TYR  41 -10.528  -3.788  -5.907
  265    HE1  TYR  41           1HE      TYR  41 -11.840  -7.675  -3.222
  266    HE2  TYR  41           2HE      TYR  41 -12.854  -4.080  -5.290
  267    HH   TYR  41           HH       TYR  41 -13.908  -6.176  -2.919
  268    H    GLN  42           H        GLN  42  -7.714  -5.632  -1.665
  269    HA   GLN  42           HA       GLN  42  -7.072  -8.458  -2.131
  270    HB2  GLN  42           2HB      GLN  42  -5.346  -7.491  -0.697
  271    HB3  GLN  42           1HB      GLN  42  -6.573  -6.938   0.441
  272    HG2  GLN  42           2HG      GLN  42  -7.196  -9.228   0.921
  273    HG3  GLN  42           1HG      GLN  42  -6.060  -9.831  -0.268
  274   HE21  GLN  42          1HE2      GLN  42  -6.222 -10.471   2.532
  275   HE22  GLN  42          2HE2      GLN  42  -4.718  -9.991   3.231
  276    H    PHE  43           H        PHE  43  -8.372  -7.127   0.654
  277    HA   PHE  43           HA       PHE  43 -11.002  -7.983   0.002
  278    HB2  PHE  43           2HB      PHE  43 -10.010 -10.120   0.680
  279    HB3  PHE  43           1HB      PHE  43  -9.482  -9.418   2.202
  280    HD1  PHE  43           1HD      PHE  43 -12.467 -10.367   0.237
  281    HD2  PHE  43           2HD      PHE  43 -10.921  -9.371   4.074
  282    HE1  PHE  43           1HE      PHE  43 -14.585 -11.048   1.264
  283    HE2  PHE  43           2HE      PHE  43 -13.043 -10.054   5.103
  284    HZ   PHE  43           HZ       PHE  43 -14.876 -10.894   3.695
  285    HA   PRO  44           HA       PRO  44 -12.776  -7.585   0.441
  286    HB2  PRO  44           2HB      PRO  44 -14.910  -6.112   1.049
  287    HB3  PRO  44           1HB      PRO  44 -14.370  -7.410   2.119
  288    HG2  PRO  44           2HG      PRO  44 -14.147  -4.474   2.454
  289    HG3  PRO  44           1HG      PRO  44 -14.259  -5.745   3.679
  290    HD2  PRO  44           2HD      PRO  44 -11.900  -4.429   2.749
  291    HD3  PRO  44           1HD      PRO  44 -12.003  -5.779   3.895
  292    H    SER  45           H        SER  45 -11.195  -4.687   0.574
  293    HA   SER  45           HA       SER  45 -12.465  -3.652  -1.865
  294    HB2  SER  45           2HB      SER  45 -11.640  -2.041   0.559
  295    HB3  SER  45           1HB      SER  45 -12.380  -1.395  -0.902
  296    HG   SER  45           HG       SER  45 -14.119  -2.969  -0.385
  297    H    VAL  46           H        VAL  46 -10.989  -1.730  -2.670
  298    HA   VAL  46           HA       VAL  46  -8.287  -2.636  -3.035
  299    HB   VAL  46           HB       VAL  46  -9.432   0.106  -3.680
  300   HG11  VAL  46          1HG1      VAL  46  -7.636   0.233  -5.312
  301   HG12  VAL  46          2HG1      VAL  46  -7.117  -1.394  -4.878
  302   HG13  VAL  46          3HG1      VAL  46  -6.992  -0.094  -3.697
  303   HG21  VAL  46          3HG2      VAL  46  -9.877  -0.673  -5.925
  304   HG22  VAL  46          1HG2      VAL  46 -10.778  -1.658  -4.772
  305   HG23  VAL  46          2HG2      VAL  46  -9.291  -2.279  -5.508
  306    H    LYS  47           H        LYS  47  -6.736  -2.311  -1.584
  307    HA   LYS  47           HA       LYS  47  -7.088  -0.091   0.301
  308    HB2  LYS  47           2HB      LYS  47  -7.482  -2.422   1.229
  309    HB3  LYS  47           1HB      LYS  47  -5.808  -2.777   0.880
  310    HG2  LYS  47           2HG      LYS  47  -6.101  -2.284   3.232
  311    HG3  LYS  47           1HG      LYS  47  -5.100  -1.051   2.470
  312    HD2  LYS  47           2HD      LYS  47  -6.682   0.017   3.973
  313    HD3  LYS  47           1HD      LYS  47  -7.075   0.408   2.302
  314    HE2  LYS  47           2HE      LYS  47  -9.101  -0.055   3.583
  315    HE3  LYS  47           1HE      LYS  47  -8.878  -1.267   2.329
  316    HZ1  LYS  47           3HZ      LYS  47  -9.547  -2.229   4.466
  317    HZ2  LYS  47           1HZ      LYS  47  -8.165  -1.623   5.195
  318    HZ3  LYS  47           2HZ      LYS  47  -8.035  -2.789   4.004
  319    H    CYS  48           H        CYS  48  -4.886   0.504   1.285
  320    HA   CYS  48           HA       CYS  48  -3.027   0.992  -0.862
  321    HB2  CYS  48           2HB      CYS  48  -3.595   2.776   0.702
  322    HB3  CYS  48           1HB      CYS  48  -3.089   1.791   2.059
  323    H    PHE  49           H        PHE  49  -1.284  -0.256  -1.265
  324    HA   PHE  49           HA       PHE  49  -0.320  -2.021   0.861
  325    HB2  PHE  49           2HB      PHE  49  -0.757  -2.614  -2.049
  326    HB3  PHE  49           1HB      PHE  49   0.421  -3.498  -1.101
  327    HD1  PHE  49           2HD      PHE  49  -3.196  -2.555  -1.051
  328    HD2  PHE  49           1HD      PHE  49  -0.217  -5.401  -0.009
  329    HE1  PHE  49           2HE      PHE  49  -4.939  -4.121  -0.303
  330    HE2  PHE  49           1HE      PHE  49  -1.943  -6.948   0.732
  331    HZ   PHE  49           HZ       PHE  49  -4.297  -6.324   0.596
  332    H    CYS  50           H        CYS  50   1.581  -1.546   1.432
  333    HA   CYS  50           HA       CYS  50   3.365   0.127  -0.092
  334    HB2  CYS  50           2HB      CYS  50   3.689  -1.294   2.552
  335    HB3  CYS  50           1HB      CYS  50   4.812  -0.114   1.884
  336    H    LYS  51           H        LYS  51   5.311  -0.550  -0.980
  337    HA   LYS  51           HA       LYS  51   5.474  -3.448  -1.346
  338    HB2  LYS  51           2HB      LYS  51   6.829  -1.267  -2.982
  339    HB3  LYS  51           1HB      LYS  51   6.921  -2.980  -3.273
  340    HG2  LYS  51           2HG      LYS  51   4.461  -3.048  -3.610
  341    HG3  LYS  51           1HG      LYS  51   4.453  -1.287  -3.505
  342    HD2  LYS  51           2HD      LYS  51   5.954  -1.151  -5.425
  343    HD3  LYS  51           1HD      LYS  51   6.034  -2.909  -5.503
  344    HE2  LYS  51           2HE      LYS  51   3.579  -2.953  -5.890
  345    HE3  LYS  51           1HE      LYS  51   3.591  -1.191  -5.940
  346    HZ1  LYS  51           3HZ      LYS  51   5.040  -2.999  -7.793
  347    HZ2  LYS  51           1HZ      LYS  51   5.083  -1.316  -7.884
  348    HZ3  LYS  51           2HZ      LYS  51   3.651  -2.169  -8.152
  349    H    ARG  52           H        ARG  52   6.628  -4.264   0.271
  350    HA   ARG  52           HA       ARG  52   8.901  -2.770   1.263
  351    HB2  ARG  52           2HB      ARG  52   9.141  -4.442   3.013
  352    HB3  ARG  52           1HB      ARG  52   7.457  -3.963   2.888
  353    HG2  ARG  52           2HG      ARG  52   6.920  -5.985   1.721
  354    HG3  ARG  52           1HG      ARG  52   8.617  -6.464   1.696
  355    HD2  ARG  52           2HD      ARG  52   6.924  -6.084   4.172
  356    HD3  ARG  52           1HD      ARG  52   7.355  -7.631   3.448
  357    HE   ARG  52           HE       ARG  52   9.702  -6.220   3.976
  358   HH11  ARG  52          1HH1      ARG  52   7.104  -7.854   5.743
  359   HH12  ARG  52          2HH1      ARG  52   8.046  -8.156   7.124
  360   HH21  ARG  52          1HH2      ARG  52  11.004  -6.663   5.852
  361   HH22  ARG  52          2HH2      ARG  52  10.315  -7.482   7.177
  362    H    GLN  53           H        GLN  53  10.989  -3.378   1.193
  363    HA   GLN  53           HA       GLN  53  11.722  -4.861  -1.161
  364    HB2  GLN  53           2HB      GLN  53  12.685  -2.648  -0.420
  365    HB3  GLN  53           1HB      GLN  53  13.436  -3.512   0.905
  366    HG2  GLN  53           2HG      GLN  53  14.727  -4.838  -0.711
  367    HG3  GLN  53           1HG      GLN  53  13.947  -3.953  -2.011
  368   HE21  GLN  53          1HE2      GLN  53  14.839  -2.381   0.971
  369   HE22  GLN  53          2HE2      GLN  53  16.124  -1.443   0.331
  370    H    CYS  54           H        CYS  54  11.429  -7.039  -0.770
  371    HA   CYS  54           HA       CYS  54  12.251  -8.174   1.748
  372    HB2  CYS  54           2HB      CYS  54  10.931  -9.407  -0.686
  373    HB3  CYS  54           1HB      CYS  54  11.276 -10.270   0.810
  Start of MODEL   13
    1    H1   ASP   1           1HT      ASP   1  13.360 -10.212 -11.822
    2    H2   ASP   1           2HT      ASP   1  14.215 -11.036 -13.057
    3    H3   ASP   1           3HT      ASP   1  13.996  -9.345 -13.107
    4    HA   ASP   1           HA       ASP   1  15.486 -10.700 -10.992
    5    HB2  ASP   1           2HB      ASP   1  16.481  -9.196 -13.428
    6    HB3  ASP   1           1HB      ASP   1  17.478  -9.628 -12.049
    7    H    GLY   2           H        GLY   2  16.323  -9.299  -9.514
    8    HA2  GLY   2           2HA      GLY   2  16.890  -6.967  -9.039
    9    HA3  GLY   2           1HA      GLY   2  15.317  -6.552  -9.714
   10    H    VAL   3           H        VAL   3  14.776  -5.560  -7.736
   11    HA   VAL   3           HA       VAL   3  14.564  -7.279  -5.458
   12    HB   VAL   3           HB       VAL   3  13.707  -5.292  -4.268
   13   HG11  VAL   3          1HG1      VAL   3  15.798  -4.000  -4.297
   14   HG12  VAL   3          2HG1      VAL   3  16.274  -4.840  -5.776
   15   HG13  VAL   3          3HG1      VAL   3  16.075  -5.741  -4.273
   16   HG21  VAL   3          3HG2      VAL   3  14.174  -3.836  -6.875
   17   HG22  VAL   3          1HG2      VAL   3  13.803  -3.066  -5.332
   18   HG23  VAL   3          2HG2      VAL   3  12.614  -4.114  -6.104
   19    H    LYS   4           H        LYS   4  12.865  -8.417  -5.003
   20    HA   LYS   4           HA       LYS   4  10.385  -7.863  -6.401
   21    HB2  LYS   4           2HB      LYS   4  11.436 -10.233  -4.895
   22    HB3  LYS   4           1HB      LYS   4   9.700 -10.015  -5.021
   23    HG2  LYS   4           2HG      LYS   4  10.540 -11.525  -6.752
   24    HG3  LYS   4           1HG      LYS   4   9.830 -10.079  -7.451
   25    HD2  LYS   4           2HD      LYS   4  11.816 -10.574  -8.680
   26    HD3  LYS   4           1HD      LYS   4  12.166  -9.172  -7.677
   27    HE2  LYS   4           2HE      LYS   4  14.035 -10.706  -7.618
   28    HE3  LYS   4           1HE      LYS   4  13.259 -10.634  -6.039
   29    HZ1  LYS   4           3HZ      LYS   4  13.827 -12.900  -6.708
   30    HZ2  LYS   4           1HZ      LYS   4  12.835 -12.770  -8.054
   31    HZ3  LYS   4           2HZ      LYS   4  12.169 -12.742  -6.506
   32    H    LEU   5           H        LEU   5   8.571  -7.145  -5.403
   33    HA   LEU   5           HA       LEU   5   9.059  -6.277  -2.651
   34    HB2  LEU   5           2HB      LEU   5   7.151  -4.996  -4.598
   35    HB3  LEU   5           1HB      LEU   5   7.677  -4.414  -3.022
   36    HG   LEU   5           HG       LEU   5   9.434  -4.675  -5.436
   37   HD11  LEU   5          1HD1      LEU   5   9.407  -2.234  -5.492
   38   HD12  LEU   5          2HD1      LEU   5   8.278  -2.211  -4.145
   39   HD13  LEU   5          3HD1      LEU   5   7.785  -2.895  -5.697
   40   HD21  LEU   5          3HD2      LEU   5  11.054  -3.370  -4.100
   41   HD22  LEU   5          1HD2      LEU   5  10.700  -4.955  -3.411
   42   HD23  LEU   5          2HD2      LEU   5   9.973  -3.506  -2.713
   43    H    CYS   6           H        CYS   6   7.574  -6.551  -1.184
   44    HA   CYS   6           HA       CYS   6   5.335  -8.347  -1.876
   45    HB2  CYS   6           2HB      CYS   6   6.574  -7.896   0.850
   46    HB3  CYS   6           1HB      CYS   6   5.385  -9.118   0.420
   47    H    ASP   7           H        ASP   7   3.287  -7.695  -1.479
   48    HA   ASP   7           HA       ASP   7   2.897  -4.908  -0.815
   49    HB2  ASP   7           2HB      ASP   7   0.922  -7.037  -1.668
   50    HB3  ASP   7           1HB      ASP   7   0.498  -5.359  -1.411
   51    H    VAL   8           H        VAL   8   2.778  -4.342   1.171
   52    HA   VAL   8           HA       VAL   8   1.705  -6.134   3.225
   53    HB   VAL   8           HB       VAL   8   3.131  -3.470   3.507
   54   HG11  VAL   8          1HG1      VAL   8   1.730  -3.956   5.426
   55   HG12  VAL   8          2HG1      VAL   8   3.433  -4.099   5.861
   56   HG13  VAL   8          3HG1      VAL   8   2.468  -5.550   5.585
   57   HG21  VAL   8          3HG2      VAL   8   4.222  -6.258   3.832
   58   HG22  VAL   8          1HG2      VAL   8   5.085  -4.764   4.203
   59   HG23  VAL   8          2HG2      VAL   8   4.615  -5.122   2.541
   60    HA   PRO   9           HA       PRO   9  -2.073  -3.686   2.932
   61    HB2  PRO   9           2HB      PRO   9  -2.647  -4.810   5.597
   62    HB3  PRO   9           1HB      PRO   9  -3.587  -4.940   4.110
   63    HG2  PRO   9           2HG      PRO   9  -2.220  -7.017   5.143
   64    HG3  PRO   9           1HG      PRO   9  -2.457  -6.807   3.401
   65    HD2  PRO   9           2HD      PRO   9  -0.040  -6.314   5.070
   66    HD3  PRO   9           1HD      PRO   9  -0.180  -6.889   3.392
   67    H    SER  10           H        SER  10  -1.661  -1.562   3.307
   68    HA   SER  10           HA       SER  10  -0.228  -0.625   5.498
   69    HB2  SER  10           2HB      SER  10  -2.140   0.881   3.720
   70    HB3  SER  10           1HB      SER  10  -0.772   1.545   4.619
   71    HG   SER  10           HG       SER  10   0.506   0.940   3.068
   72    H    GLY  11           H        GLY  11  -0.972  -0.817   7.530
   73    HA2  GLY  11           2HA      GLY  11  -3.736  -0.926   8.233
   74    HA3  GLY  11           1HA      GLY  11  -2.373  -0.789   9.344
   75    H    THR  12           H        THR  12  -1.520   1.536   7.639
   76    HA   THR  12           HA       THR  12  -2.575   3.638   9.161
   77    HB   THR  12           HB       THR  12  -1.353   5.009   7.395
   78    HG1  THR  12           1HG      THR  12   0.030   2.926   6.375
   79   HG21  THR  12          3HG2      THR  12  -0.252   4.253   9.477
   80   HG22  THR  12          1HG2      THR  12   0.877   4.261   8.121
   81   HG23  THR  12          2HG2      THR  12   0.183   2.741   8.688
   82    H    TRP  13           H        TRP  13  -3.199   2.352   5.964
   83    HA   TRP  13           HA       TRP  13  -5.199   4.415   5.437
   84    HB2  TRP  13           2HB      TRP  13  -3.391   3.805   3.759
   85    HB3  TRP  13           1HB      TRP  13  -4.221   2.264   3.585
   86    HD1  TRP  13           HD       TRP  13  -6.906   2.514   2.658
   87    HE1  TRP  13           1HE      TRP  13  -7.797   4.169   0.875
   88    HE3  TRP  13           3HE      TRP  13  -3.113   5.937   2.726
   89    HZ2  TRP  13           2HZ      TRP  13  -6.985   6.562  -0.340
   90    HZ3  TRP  13           3HZ      TRP  13  -3.239   7.864   1.222
   91    HH2  TRP  13           HH       TRP  13  -5.134   8.170  -0.282
   92    H    SER  14           H        SER  14  -6.962   3.769   6.554
   93    HA   SER  14           HA       SER  14  -7.992   1.094   6.006
   94    HB2  SER  14           2HB      SER  14  -7.644   1.887   8.433
   95    HB3  SER  14           1HB      SER  14  -8.943   3.035   8.136
   96    HG   SER  14           HG       SER  14 -10.247   1.177   7.559
   97    H    GLY  15           H        GLY  15  -9.271   1.184   4.271
   98    HA2  GLY  15           2HA      GLY  15 -11.625   2.085   3.840
   99    HA3  GLY  15           1HA      GLY  15 -10.770   3.621   3.751
  100    H    HIS  16           H        HIS  16 -11.755   3.530   1.592
  101    HA   HIS  16           HA       HIS  16 -10.724   1.705  -0.344
  102    HB2  HIS  16           2HB      HIS  16 -12.952   2.703  -0.591
  103    HB3  HIS  16           1HB      HIS  16 -12.247   4.308  -0.654
  104    HD1  HIS  16           1HD      HIS  16 -12.663   1.187  -2.733
  105    HD2  HIS  16           2HD      HIS  16 -11.307   5.090  -3.123
  106    HE1  HIS  16           1HE      HIS  16 -12.366   1.575  -5.209
  107    H    CYS  17           H        CYS  17  -8.926   1.870  -1.469
  108    HA   CYS  17           HA       CYS  17  -7.335   4.306  -1.288
  109    HB2  CYS  17           2HB      CYS  17  -6.311   2.050  -0.807
  110    HB3  CYS  17           1HB      CYS  17  -6.578   1.635  -2.491
  111    H    GLY  18           H        GLY  18  -8.330   5.627  -2.712
  112    HA2  GLY  18           2HA      GLY  18  -8.390   4.723  -5.507
  113    HA3  GLY  18           1HA      GLY  18  -9.310   6.085  -4.866
  114    H    SER  19           H        SER  19  -7.178   7.052  -3.268
  115    HA   SER  19           HA       SER  19  -5.794   8.585  -5.260
  116    HB2  SER  19           2HB      SER  19  -5.667   8.747  -2.247
  117    HB3  SER  19           1HB      SER  19  -5.205  10.006  -3.399
  118    HG   SER  19           HG       SER  19  -7.632   9.408  -4.043
  119    H    SER  20           H        SER  20  -4.251   7.271  -6.154
  120    HA   SER  20           HA       SER  20  -2.740   5.341  -4.816
  121    HB2  SER  20           2HB      SER  20  -2.208   6.674  -7.459
  122    HB3  SER  20           1HB      SER  20  -1.622   5.092  -6.931
  123    HG   SER  20           HG       SER  20  -3.656   4.318  -6.932
  124    H    SER  21           H        SER  21  -1.826   8.635  -5.929
  125    HA   SER  21           HA       SER  21   0.873   8.408  -5.142
  126    HB2  SER  21           2HB      SER  21  -0.788  10.913  -5.517
  127    HB3  SER  21           1HB      SER  21   0.972  10.803  -5.558
  128    HG   SER  21           HG       SER  21   0.191   9.031  -7.262
  129    H    LYS  22           H        LYS  22  -2.033   9.526  -3.577
  130    HA   LYS  22           HA       LYS  22  -0.822  10.587  -1.251
  131    HB2  LYS  22           2HB      LYS  22  -3.597   9.460  -1.671
  132    HB3  LYS  22           1HB      LYS  22  -3.100  10.309  -0.217
  133    HG2  LYS  22           2HG      LYS  22  -3.080  11.508  -2.990
  134    HG3  LYS  22           1HG      LYS  22  -4.376  11.725  -1.813
  135    HD2  LYS  22           2HD      LYS  22  -2.870  12.849  -0.301
  136    HD3  LYS  22           1HD      LYS  22  -1.493  12.513  -1.342
  137    HE2  LYS  22           2HE      LYS  22  -3.867  14.229  -2.082
  138    HE3  LYS  22           1HE      LYS  22  -2.305  14.838  -1.548
  139    HZ1  LYS  22           3HZ      LYS  22  -2.840  13.303  -4.043
  140    HZ2  LYS  22           1HZ      LYS  22  -1.314  13.770  -3.529
  141    HZ3  LYS  22           2HZ      LYS  22  -2.455  14.919  -3.931
  142    H    CYS  23           H        CYS  23  -2.145   7.392  -1.996
  143    HA   CYS  23           HA       CYS  23  -1.578   6.060   0.361
  144    HB2  CYS  23           2HB      CYS  23  -2.868   4.901  -1.230
  145    HB3  CYS  23           1HB      CYS  23  -1.735   5.232  -2.525
  146    H    SER  24           H        SER  24   0.537   6.535  -2.487
  147    HA   SER  24           HA       SER  24   2.743   5.137  -1.565
  148    HB2  SER  24           2HB      SER  24   2.750   7.588  -3.332
  149    HB3  SER  24           1HB      SER  24   3.996   6.340  -3.240
  150    HG   SER  24           HG       SER  24   1.951   4.949  -3.746
  151    H    GLN  25           H        GLN  25   2.060   8.634  -1.297
  152    HA   GLN  25           HA       GLN  25   4.505   9.165   0.021
  153    HB2  GLN  25           2HB      GLN  25   2.029  10.877  -0.129
  154    HB3  GLN  25           1HB      GLN  25   3.610  11.407   0.423
  155    HG2  GLN  25           2HG      GLN  25   2.882  10.498  -2.353
  156    HG3  GLN  25           1HG      GLN  25   3.237  12.144  -1.843
  157   HE21  GLN  25          1HE2      GLN  25   4.493  10.590  -3.881
  158   HE22  GLN  25          2HE2      GLN  25   6.173  10.466  -3.482
  159    H    GLN  26           H        GLN  26   1.169   8.761   1.234
  160    HA   GLN  26           HA       GLN  26   1.739   9.430   3.900
  161    HB2  GLN  26           2HB      GLN  26  -0.570   9.226   3.008
  162    HB3  GLN  26           1HB      GLN  26  -0.356   7.486   2.894
  163    HG2  GLN  26           2HG      GLN  26  -0.031   7.398   5.345
  164    HG3  GLN  26           1HG      GLN  26  -0.346   9.126   5.425
  165   HE21  GLN  26          1HE2      GLN  26  -1.781   6.933   6.673
  166   HE22  GLN  26          2HE2      GLN  26  -3.404   7.047   6.094
  167    H    CYS  27           H        CYS  27   1.772   6.313   2.220
  168    HA   CYS  27           HA       CYS  27   2.457   4.741   4.425
  169    HB2  CYS  27           2HB      CYS  27   1.699   3.612   2.485
  170    HB3  CYS  27           1HB      CYS  27   2.916   4.381   1.471
  171    H    LYS  28           H        LYS  28   4.489   6.400   2.048
  172    HA   LYS  28           HA       LYS  28   6.929   5.367   3.059
  173    HB2  LYS  28           2HB      LYS  28   6.576   6.103   0.733
  174    HB3  LYS  28           1HB      LYS  28   6.422   7.756   1.294
  175    HG2  LYS  28           2HG      LYS  28   8.728   7.782   1.993
  176    HG3  LYS  28           1HG      LYS  28   8.899   6.069   1.606
  177    HD2  LYS  28           2HD      LYS  28   9.852   7.331  -0.205
  178    HD3  LYS  28           1HD      LYS  28   8.334   6.618  -0.751
  179    HE2  LYS  28           2HE      LYS  28   8.497   8.886  -1.554
  180    HE3  LYS  28           1HE      LYS  28   7.204   8.770  -0.371
  181    HZ1  LYS  28           3HZ      LYS  28   8.622   9.761   1.279
  182    HZ2  LYS  28           1HZ      LYS  28   8.613  10.741  -0.084
  183    HZ3  LYS  28           2HZ      LYS  28   9.938   9.752   0.247
  184    H    ASP  29           H        ASP  29   4.967   8.078   3.955
  185    HA   ASP  29           HA       ASP  29   7.161   9.293   5.414
  186    HB2  ASP  29           2HB      ASP  29   5.588  10.817   4.347
  187    HB3  ASP  29           1HB      ASP  29   4.261  10.128   5.275
  188    H    ARG  30           H        ARG  30   4.166   7.607   6.189
  189    HA   ARG  30           HA       ARG  30   4.584   7.925   9.020
  190    HB2  ARG  30           2HB      ARG  30   2.676   6.068   7.583
  191    HB3  ARG  30           1HB      ARG  30   2.641   6.451   9.299
  192    HG2  ARG  30           2HG      ARG  30   2.181   8.397   7.043
  193    HG3  ARG  30           1HG      ARG  30   0.940   7.696   8.076
  194    HD2  ARG  30           2HD      ARG  30   3.209   9.451   9.040
  195    HD3  ARG  30           1HD      ARG  30   1.573  10.002   8.712
  196    HE   ARG  30           HE       ARG  30   1.325   7.916  10.470
  197   HH11  ARG  30          1HH1      ARG  30   2.878  11.098  10.534
  198   HH12  ARG  30          2HH1      ARG  30   2.679  11.306  12.214
  199   HH21  ARG  30          1HH2      ARG  30   1.034   8.226  12.769
  200   HH22  ARG  30          2HH2      ARG  30   1.638   9.626  13.512
  201    H    GLU  31           H        GLU  31   4.924   5.229   6.751
  202    HA   GLU  31           HA       GLU  31   6.507   3.827   8.779
  203    HB2  GLU  31           2HB      GLU  31   5.160   2.845   6.248
  204    HB3  GLU  31           1HB      GLU  31   6.154   1.849   7.293
  205    HG2  GLU  31           2HG      GLU  31   3.521   3.124   8.002
  206    HG3  GLU  31           1HG      GLU  31   3.815   1.415   7.684
  207    H    HIS  32           H        HIS  32   8.313   2.478   7.318
  208    HA   HIS  32           HA       HIS  32   9.143   4.481   5.382
  209    HB2  HIS  32           2HB      HIS  32  10.612   4.555   7.430
  210    HB3  HIS  32           1HB      HIS  32  11.178   2.941   6.997
  211    HD1  HIS  32           1HD      HIS  32  13.117   2.848   5.303
  212    HD2  HIS  32           2HD      HIS  32  11.199   6.541   5.382
  213    HE1  HIS  32           1HE      HIS  32  14.429   4.336   3.784
  214    H    PHE  33           H        PHE  33   8.247   3.485   3.778
  215    HA   PHE  33           HA       PHE  33   9.723   1.164   2.795
  216    HB2  PHE  33           2HB      PHE  33   6.828   1.909   2.236
  217    HB3  PHE  33           1HB      PHE  33   7.697   0.600   1.445
  218    HD1  PHE  33           1HD      PHE  33   8.536  -1.313   2.885
  219    HD2  PHE  33           2HD      PHE  33   5.729   1.560   4.269
  220    HE1  PHE  33           1HE      PHE  33   7.844  -2.854   4.674
  221    HE2  PHE  33           2HE      PHE  33   5.035   0.022   6.058
  222    HZ   PHE  33           HZ       PHE  33   6.090  -2.186   6.260
  223    H    ALA  34           H        ALA  34  10.925   1.690   1.160
  224    HA   ALA  34           HA       ALA  34  11.104   4.371   0.273
  225    HB1  ALA  34           1HB      ALA  34  13.011   2.845   0.432
  226    HB2  ALA  34           2HB      ALA  34  12.862   3.599  -1.155
  227    HB3  ALA  34           3HB      ALA  34  12.361   1.923  -0.927
  228    H    TYR  35           H        TYR  35   9.629   1.532  -1.018
  229    HA   TYR  35           HA       TYR  35   9.089   2.820  -3.553
  230    HB2  TYR  35           2HB      TYR  35   8.341   0.044  -2.598
  231    HB3  TYR  35           1HB      TYR  35   8.262   0.633  -4.259
  232    HD1  TYR  35           2HD      TYR  35  10.477   1.374  -5.357
  233    HD2  TYR  35           1HD      TYR  35  10.328  -0.946  -1.791
  234    HE1  TYR  35           2HE      TYR  35  12.817   0.710  -5.698
  235    HE2  TYR  35           1HE      TYR  35  12.663  -1.600  -2.113
  236    HH   TYR  35           HH       TYR  35  14.270  -1.810  -4.033
  237    H    GLY  36           H        GLY  36   7.886   3.122  -0.644
  238    HA2  GLY  36           2HA      GLY  36   5.971   3.863   0.266
  239    HA3  GLY  36           1HA      GLY  36   5.526   4.367  -1.359
  240    H    GLY  37           H        GLY  37   3.643   3.668  -1.836
  241    HA2  GLY  37           2HA      GLY  37   3.021   0.891  -1.593
  242    HA3  GLY  37           1HA      GLY  37   2.008   1.988  -0.642
  243    H    ALA  38           H        ALA  38   0.811   0.561  -2.504
  244    HA   ALA  38           HA       ALA  38  -0.124   2.634  -4.280
  245    HB1  ALA  38           1HB      ALA  38   1.588   1.544  -5.660
  246    HB2  ALA  38           2HB      ALA  38  -0.023   1.163  -6.270
  247    HB3  ALA  38           3HB      ALA  38   0.870  -0.030  -5.325
  248    H    CYS  39           H        CYS  39  -2.227   1.840  -5.305
  249    HA   CYS  39           HA       CYS  39  -3.657   0.497  -3.216
  250    HB2  CYS  39           2HB      CYS  39  -4.689   1.458  -5.900
  251    HB3  CYS  39           1HB      CYS  39  -5.646   1.048  -4.490
  252    H    HIS  40           H        HIS  40  -4.408  -1.540  -3.275
  253    HA   HIS  40           HA       HIS  40  -4.085  -3.152  -5.689
  254    HB2  HIS  40           2HB      HIS  40  -1.972  -3.312  -4.327
  255    HB3  HIS  40           1HB      HIS  40  -2.927  -3.822  -2.957
  256    HD1  HIS  40           1HD      HIS  40  -0.926  -5.141  -5.641
  257    HD2  HIS  40           2HD      HIS  40  -4.224  -6.435  -3.476
  258    HE1  HIS  40           1HE      HIS  40  -0.990  -7.647  -5.899
  259    H    TYR  41           H        TYR  41  -5.707  -4.745  -5.752
  260    HA   TYR  41           HA       TYR  41  -7.680  -4.486  -3.651
  261    HB2  TYR  41           2HB      TYR  41  -8.536  -4.364  -5.952
  262    HB3  TYR  41           1HB      TYR  41  -7.899  -5.977  -6.277
  263    HD1  TYR  41           1HD      TYR  41 -10.416  -4.098  -4.331
  264    HD2  TYR  41           2HD      TYR  41  -9.092  -7.956  -5.543
  265    HE1  TYR  41           1HE      TYR  41 -12.464  -5.079  -3.437
  266    HE2  TYR  41           2HE      TYR  41 -11.139  -8.942  -4.661
  267    HH   TYR  41           HH       TYR  41 -12.849  -8.463  -3.061
  268    H    GLN  42           H        GLN  42  -7.980  -5.817  -2.168
  269    HA   GLN  42           HA       GLN  42  -7.423  -8.617  -2.515
  270    HB2  GLN  42           2HB      GLN  42  -5.489  -7.798  -1.251
  271    HB3  GLN  42           1HB      GLN  42  -6.547  -6.892  -0.180
  272    HG2  GLN  42           2HG      GLN  42  -7.417  -8.927   0.776
  273    HG3  GLN  42           1HG      GLN  42  -6.521  -9.898  -0.385
  274   HE21  GLN  42          1HE2      GLN  42  -4.085  -8.400  -0.229
  275   HE22  GLN  42          2HE2      GLN  42  -3.406  -8.732   1.320
  276    H    PHE  43           H        PHE  43  -8.999  -9.808  -1.361
  277    HA   PHE  43           HA       PHE  43 -11.475  -8.688  -1.233
  278    HB2  PHE  43           2HB      PHE  43 -11.158 -11.093  -1.308
  279    HB3  PHE  43           1HB      PHE  43 -10.461 -11.098   0.303
  280    HD1  PHE  43           1HD      PHE  43 -13.574 -10.657  -1.628
  281    HD2  PHE  43           2HD      PHE  43 -11.858 -11.111   2.245
  282    HE1  PHE  43           1HE      PHE  43 -15.809 -11.021  -0.678
  283    HE2  PHE  43           2HE      PHE  43 -14.091 -11.476   3.192
  284    HZ   PHE  43           HZ       PHE  43 -16.066 -11.430   1.734
  285    HA   PRO  44           HA       PRO  44 -12.996  -7.767  -0.816
  286    HB2  PRO  44           2HB      PRO  44 -14.953  -6.666   0.526
  287    HB3  PRO  44           1HB      PRO  44 -14.478  -8.329   0.896
  288    HG2  PRO  44           2HG      PRO  44 -14.116  -5.888   2.521
  289    HG3  PRO  44           1HG      PRO  44 -14.090  -7.587   3.024
  290    HD2  PRO  44           2HD      PRO  44 -11.841  -5.833   2.313
  291    HD3  PRO  44           1HD      PRO  44 -11.814  -7.410   3.131
  292    H    SER  45           H        SER  45 -10.814  -5.606  -0.297
  293    HA   SER  45           HA       SER  45 -12.328  -3.374  -1.359
  294    HB2  SER  45           2HB      SER  45 -10.863  -3.187   1.271
  295    HB3  SER  45           1HB      SER  45 -11.438  -1.795   0.360
  296    HG   SER  45           HG       SER  45 -13.379  -3.640   0.650
  297    H    VAL  46           H        VAL  46 -11.056  -1.760  -2.325
  298    HA   VAL  46           HA       VAL  46  -8.400  -2.595  -3.095
  299    HB   VAL  46           HB       VAL  46  -9.841   0.023  -3.692
  300   HG11  VAL  46          1HG1      VAL  46  -7.430   0.161  -3.886
  301   HG12  VAL  46          2HG1      VAL  46  -8.186   0.282  -5.477
  302   HG13  VAL  46          3HG1      VAL  46  -7.410  -1.225  -4.976
  303   HG21  VAL  46          3HG2      VAL  46 -11.059  -1.884  -4.638
  304   HG22  VAL  46          1HG2      VAL  46  -9.572  -2.431  -5.417
  305   HG23  VAL  46          2HG2      VAL  46 -10.309  -0.905  -5.904
  306    H    LYS  47           H        LYS  47  -6.903  -2.316  -1.632
  307    HA   LYS  47           HA       LYS  47  -7.180  -0.066   0.230
  308    HB2  LYS  47           2HB      LYS  47  -7.578  -2.294   1.229
  309    HB3  LYS  47           1HB      LYS  47  -6.008  -2.824   0.683
  310    HG2  LYS  47           2HG      LYS  47  -4.979  -1.136   2.190
  311    HG3  LYS  47           1HG      LYS  47  -6.597  -0.767   2.803
  312    HD2  LYS  47           2HD      LYS  47  -6.885  -3.060   3.518
  313    HD3  LYS  47           1HD      LYS  47  -5.331  -3.502   2.817
  314    HE2  LYS  47           2HE      LYS  47  -5.054  -3.278   5.167
  315    HE3  LYS  47           1HE      LYS  47  -4.241  -1.936   4.389
  316    HZ1  LYS  47           3HZ      LYS  47  -5.552  -1.363   6.388
  317    HZ2  LYS  47           1HZ      LYS  47  -6.960  -1.719   5.584
  318    HZ3  LYS  47           2HZ      LYS  47  -5.969  -0.439   5.074
  319    H    CYS  48           H        CYS  48  -4.993   0.544   1.155
  320    HA   CYS  48           HA       CYS  48  -3.106   0.898  -1.002
  321    HB2  CYS  48           2HB      CYS  48  -3.688   2.813   0.450
  322    HB3  CYS  48           1HB      CYS  48  -3.191   1.901   1.860
  323    H    PHE  49           H        PHE  49  -1.324  -0.299  -1.174
  324    HA   PHE  49           HA       PHE  49  -0.573  -1.953   1.103
  325    HB2  PHE  49           2HB      PHE  49  -0.710  -2.748  -1.799
  326    HB3  PHE  49           1HB      PHE  49   0.262  -3.597  -0.612
  327    HD1  PHE  49           1HD      PHE  49  -3.243  -2.567  -1.314
  328    HD2  PHE  49           2HD      PHE  49  -0.655  -5.266   0.680
  329    HE1  PHE  49           1HE      PHE  49  -5.168  -3.951  -0.703
  330    HE2  PHE  49           2HE      PHE  49  -2.579  -6.648   1.311
  331    HZ   PHE  49           HZ       PHE  49  -4.837  -5.993   0.630
  332    H    CYS  50           H        CYS  50   1.212  -1.374   1.813
  333    HA   CYS  50           HA       CYS  50   3.140   0.177   0.418
  334    HB2  CYS  50           2HB      CYS  50   3.236  -1.277   3.059
  335    HB3  CYS  50           1HB      CYS  50   4.511  -0.222   2.466
  336    H    LYS  51           H        LYS  51   4.922  -0.488  -0.597
  337    HA   LYS  51           HA       LYS  51   5.167  -3.367  -0.949
  338    HB2  LYS  51           2HB      LYS  51   5.980  -1.062  -2.694
  339    HB3  LYS  51           1HB      LYS  51   6.599  -2.681  -2.951
  340    HG2  LYS  51           2HG      LYS  51   4.414  -3.563  -3.340
  341    HG3  LYS  51           1HG      LYS  51   3.661  -2.042  -2.864
  342    HD2  LYS  51           2HD      LYS  51   4.498  -0.933  -4.796
  343    HD3  LYS  51           1HD      LYS  51   5.548  -2.292  -5.195
  344    HE2  LYS  51           2HE      LYS  51   3.482  -2.125  -6.604
  345    HE3  LYS  51           1HE      LYS  51   3.684  -3.664  -5.778
  346    HZ1  LYS  51           3HZ      LYS  51   1.930  -1.488  -4.728
  347    HZ2  LYS  51           1HZ      LYS  51   2.021  -3.101  -4.220
  348    HZ3  LYS  51           2HZ      LYS  51   1.397  -2.749  -5.719
  349    H    ARG  52           H        ARG  52   6.456  -4.229   0.378
  350    HA   ARG  52           HA       ARG  52   8.817  -2.811   1.304
  351    HB2  ARG  52           2HB      ARG  52   9.093  -4.596   2.924
  352    HB3  ARG  52           1HB      ARG  52   7.424  -4.047   2.953
  353    HG2  ARG  52           2HG      ARG  52   6.749  -5.963   1.634
  354    HG3  ARG  52           1HG      ARG  52   8.421  -6.513   1.542
  355    HD2  ARG  52           2HD      ARG  52   6.753  -6.252   4.048
  356    HD3  ARG  52           1HD      ARG  52   7.173  -7.752   3.227
  357    HE   ARG  52           HE       ARG  52   9.438  -6.181   4.022
  358   HH11  ARG  52          1HH1      ARG  52   7.182  -8.705   5.055
  359   HH12  ARG  52          2HH1      ARG  52   8.192  -9.283   6.298
  360   HH21  ARG  52          1HH2      ARG  52  10.797  -6.966   5.669
  361   HH22  ARG  52          2HH2      ARG  52  10.332  -8.247   6.684
  362    H    GLN  53           H        GLN  53  10.879  -3.640   1.115
  363    HA   GLN  53           HA       GLN  53  11.331  -4.957  -1.390
  364    HB2  GLN  53           2HB      GLN  53  12.678  -3.019  -0.571
  365    HB3  GLN  53           1HB      GLN  53  13.319  -4.053   0.692
  366    HG2  GLN  53           2HG      GLN  53  14.245  -5.548  -1.056
  367    HG3  GLN  53           1HG      GLN  53  13.652  -4.403  -2.259
  368   HE21  GLN  53          1HE2      GLN  53  14.338  -2.037  -0.638
  369   HE22  GLN  53          2HE2      GLN  53  16.043  -1.924  -0.736
  370    H    CYS  54           H        CYS  54  11.236  -7.119  -1.512
  371    HA   CYS  54           HA       CYS  54  12.236  -8.675   0.745
  372    HB2  CYS  54           2HB      CYS  54  10.289  -9.458  -1.449
  373    HB3  CYS  54           1HB      CYS  54  10.831 -10.500  -0.142
  Start of MODEL   14
    1    H1   ASP   1           1HT      ASP   1  10.120  -3.704 -11.634
    2    H2   ASP   1           2HT      ASP   1   9.238  -2.560 -10.806
    3    H3   ASP   1           3HT      ASP   1   9.557  -4.086 -10.130
    4    HA   ASP   1           HA       ASP   1  11.654  -2.142 -10.817
    5    HB2  ASP   1           2HB      ASP   1  10.433  -2.839  -8.135
    6    HB3  ASP   1           1HB      ASP   1  12.043  -2.153  -8.271
    7    H    GLY   2           H        GLY   2  13.744  -2.840 -10.366
    8    HA2  GLY   2           2HA      GLY   2  14.227  -5.578 -10.869
    9    HA3  GLY   2           1HA      GLY   2  15.432  -4.379 -10.425
   10    H    VAL   3           H        VAL   3  14.171  -3.680  -7.967
   11    HA   VAL   3           HA       VAL   3  15.111  -5.814  -6.302
   12    HB   VAL   3           HB       VAL   3  13.673  -3.217  -5.620
   13   HG11  VAL   3          1HG1      VAL   3  15.001  -5.174  -3.741
   14   HG12  VAL   3          2HG1      VAL   3  13.257  -4.936  -3.903
   15   HG13  VAL   3          3HG1      VAL   3  14.283  -3.616  -3.327
   16   HG21  VAL   3          3HG2      VAL   3  15.843  -2.538  -4.770
   17   HG22  VAL   3          1HG2      VAL   3  15.925  -2.918  -6.499
   18   HG23  VAL   3          2HG2      VAL   3  16.522  -4.075  -5.296
   19    H    LYS   4           H        LYS   4  13.931  -7.405  -5.411
   20    HA   LYS   4           HA       LYS   4  11.238  -7.764  -6.320
   21    HB2  LYS   4           2HB      LYS   4  12.888  -9.424  -4.402
   22    HB3  LYS   4           1HB      LYS   4  11.349  -9.901  -5.100
   23    HG2  LYS   4           2HG      LYS   4  13.917  -9.434  -6.604
   24    HG3  LYS   4           1HG      LYS   4  13.185 -11.000  -6.247
   25    HD2  LYS   4           2HD      LYS   4  11.218 -10.353  -7.572
   26    HD3  LYS   4           1HD      LYS   4  11.992  -8.813  -7.946
   27    HE2  LYS   4           2HE      LYS   4  13.823 -10.014  -9.058
   28    HE3  LYS   4           1HE      LYS   4  13.024 -11.544  -8.701
   29    HZ1  LYS   4           3HZ      LYS   4  12.614 -10.760 -10.973
   30    HZ2  LYS   4           1HZ      LYS   4  11.868  -9.378 -10.379
   31    HZ3  LYS   4           2HZ      LYS   4  11.173 -10.884 -10.120
   32    H    LEU   5           H        LEU   5   9.489  -7.124  -5.289
   33    HA   LEU   5           HA       LEU   5   9.807  -6.294  -2.491
   34    HB2  LEU   5           2HB      LEU   5   7.913  -5.118  -4.515
   35    HB3  LEU   5           1HB      LEU   5   8.228  -4.583  -2.863
   36    HG   LEU   5           HG       LEU   5  10.264  -4.487  -5.072
   37   HD11  LEU   5          1HD1      LEU   5   8.539  -2.276  -3.960
   38   HD12  LEU   5          2HD1      LEU   5   8.415  -2.981  -5.573
   39   HD13  LEU   5          3HD1      LEU   5   9.857  -2.074  -5.115
   40   HD21  LEU   5          3HD2      LEU   5  10.210  -3.310  -2.299
   41   HD22  LEU   5          1HD2      LEU   5  11.450  -2.999  -3.518
   42   HD23  LEU   5          2HD2      LEU   5  11.234  -4.626  -2.880
   43    H    CYS   6           H        CYS   6   8.090  -6.661  -1.155
   44    HA   CYS   6           HA       CYS   6   6.095  -8.596  -2.157
   45    HB2  CYS   6           2HB      CYS   6   7.120  -8.344   0.677
   46    HB3  CYS   6           1HB      CYS   6   6.070  -9.601   0.035
   47    H    ASP   7           H        ASP   7   3.939  -8.301  -1.446
   48    HA   ASP   7           HA       ASP   7   3.332  -5.510  -0.859
   49    HB2  ASP   7           2HB      ASP   7   1.399  -7.764  -1.444
   50    HB3  ASP   7           1HB      ASP   7   1.055  -6.045  -1.483
   51    H    VAL   8           H        VAL   8   2.686  -4.827   1.078
   52    HA   VAL   8           HA       VAL   8   1.506  -6.764   2.924
   53    HB   VAL   8           HB       VAL   8   2.543  -5.633   4.860
   54   HG11  VAL   8          1HG1      VAL   8   4.855  -6.387   4.572
   55   HG12  VAL   8          2HG1      VAL   8   4.565  -6.538   2.837
   56   HG13  VAL   8          3HG1      VAL   8   3.675  -7.556   3.973
   57   HG21  VAL   8          3HG2      VAL   8   4.397  -4.037   4.571
   58   HG22  VAL   8          1HG2      VAL   8   2.866  -3.403   3.965
   59   HG23  VAL   8          2HG2      VAL   8   4.079  -4.005   2.834
   60    HA   PRO   9           HA       PRO   9  -1.800  -3.753   2.854
   61    HB2  PRO   9           2HB      PRO   9  -2.698  -4.881   5.416
   62    HB3  PRO   9           1HB      PRO   9  -3.529  -4.867   3.861
   63    HG2  PRO   9           2HG      PRO   9  -2.508  -7.124   4.934
   64    HG3  PRO   9           1HG      PRO   9  -2.586  -6.848   3.187
   65    HD2  PRO   9           2HD      PRO   9  -0.243  -6.652   5.033
   66    HD3  PRO   9           1HD      PRO   9  -0.338  -7.242   3.359
   67    H    SER  10           H        SER  10  -1.543  -1.675   3.474
   68    HA   SER  10           HA       SER  10  -0.142  -1.077   5.913
   69    HB2  SER  10           2HB      SER  10   0.161   0.208   3.725
   70    HB3  SER  10           1HB      SER  10  -1.455   0.864   3.990
   71    HG   SER  10           HG       SER  10   0.897   1.241   5.447
   72    H    GLY  11           H        GLY  11  -1.184  -1.025   7.755
   73    HA2  GLY  11           2HA      GLY  11  -4.034  -1.141   7.860
   74    HA3  GLY  11           1HA      GLY  11  -2.939  -1.184   9.230
   75    H    THR  12           H        THR  12  -1.777   1.466   8.050
   76    HA   THR  12           HA       THR  12  -3.712   3.047   9.469
   77    HB   THR  12           HB       THR  12  -1.744   4.760   9.408
   78    HG1  THR  12           1HG      THR  12   0.212   3.086   9.521
   79   HG21  THR  12          3HG2      THR  12  -2.567   3.624  11.419
   80   HG22  THR  12          1HG2      THR  12  -0.805   3.705  11.427
   81   HG23  THR  12          2HG2      THR  12  -1.616   2.196  11.009
   82    H    TRP  13           H        TRP  13  -3.843   2.228   6.606
   83    HA   TRP  13           HA       TRP  13  -4.067   4.814   5.276
   84    HB2  TRP  13           2HB      TRP  13  -3.081   2.959   3.995
   85    HB3  TRP  13           1HB      TRP  13  -4.508   1.974   4.295
   86    HD1  TRP  13           HD       TRP  13  -6.627   2.406   2.789
   87    HE1  TRP  13           1HE      TRP  13  -7.015   3.778   0.657
   88    HE3  TRP  13           3HE      TRP  13  -2.318   5.129   2.784
   89    HZ2  TRP  13           2HZ      TRP  13  -5.655   5.736  -0.842
   90    HZ3  TRP  13           3HZ      TRP  13  -1.946   6.730   0.952
   91    HH2  TRP  13           HH       TRP  13  -3.590   7.015  -0.819
   92    H    SER  14           H        SER  14  -6.094   5.676   4.756
   93    HA   SER  14           HA       SER  14  -8.255   4.607   6.350
   94    HB2  SER  14           2HB      SER  14  -7.626   7.010   6.527
   95    HB3  SER  14           1HB      SER  14  -8.078   7.222   4.845
   96    HG   SER  14           HG       SER  14 -10.136   7.137   5.352
   97    H    GLY  15           H        GLY  15  -9.168   2.956   5.297
   98    HA2  GLY  15           2HA      GLY  15 -10.723   1.949   4.001
   99    HA3  GLY  15           1HA      GLY  15 -11.179   3.542   3.439
  100    H    HIS  16           H        HIS  16 -11.173   3.674   1.392
  101    HA   HIS  16           HA       HIS  16 -10.048   1.677  -0.300
  102    HB2  HIS  16           2HB      HIS  16 -12.262   2.550  -0.741
  103    HB3  HIS  16           1HB      HIS  16 -11.635   4.181  -0.886
  104    HD1  HIS  16           1HD      HIS  16 -11.848   0.913  -2.790
  105    HD2  HIS  16           2HD      HIS  16 -10.665   4.852  -3.375
  106    HE1  HIS  16           1HE      HIS  16 -11.472   1.168  -5.264
  107    H    CYS  17           H        CYS  17  -8.379   1.780  -1.550
  108    HA   CYS  17           HA       CYS  17  -6.691   4.168  -1.579
  109    HB2  CYS  17           2HB      CYS  17  -5.754   1.890  -0.964
  110    HB3  CYS  17           1HB      CYS  17  -6.115   1.374  -2.601
  111    H    GLY  18           H        GLY  18  -7.223   5.512  -3.263
  112    HA2  GLY  18           2HA      GLY  18  -8.160   4.233  -5.747
  113    HA3  GLY  18           1HA      GLY  18  -8.662   5.822  -5.197
  114    H    SER  19           H        SER  19  -5.442   5.438  -4.555
  115    HA   SER  19           HA       SER  19  -4.448   6.163  -7.166
  116    HB2  SER  19           2HB      SER  19  -4.230   8.070  -4.826
  117    HB3  SER  19           1HB      SER  19  -3.520   8.315  -6.415
  118    HG   SER  19           HG       SER  19  -6.114   7.820  -6.696
  119    H    SER  20           H        SER  20  -2.771   4.766  -7.243
  120    HA   SER  20           HA       SER  20  -1.574   3.627  -4.998
  121    HB2  SER  20           2HB      SER  20  -0.602   3.705  -7.855
  122    HB3  SER  20           1HB      SER  20   0.025   2.632  -6.604
  123    HG   SER  20           HG       SER  20  -2.384   2.593  -7.975
  124    H    SER  21           H        SER  21  -0.717   6.491  -6.809
  125    HA   SER  21           HA       SER  21   1.863   6.684  -5.659
  126    HB2  SER  21           2HB      SER  21   0.197   8.792  -7.039
  127    HB3  SER  21           1HB      SER  21   1.935   8.884  -6.726
  128    HG   SER  21           HG       SER  21   0.941   7.973  -8.859
  129    H    LYS  22           H        LYS  22  -1.345   7.786  -4.722
  130    HA   LYS  22           HA       LYS  22  -0.415   9.463  -2.587
  131    HB2  LYS  22           2HB      LYS  22  -3.076   8.042  -2.916
  132    HB3  LYS  22           1HB      LYS  22  -2.715   9.146  -1.609
  133    HG2  LYS  22           2HG      LYS  22  -2.438  10.960  -3.283
  134    HG3  LYS  22           1HG      LYS  22  -2.939   9.823  -4.542
  135    HD2  LYS  22           2HD      LYS  22  -5.061   9.447  -3.331
  136    HD3  LYS  22           1HD      LYS  22  -4.563  10.616  -2.115
  137    HE2  LYS  22           2HE      LYS  22  -6.118  11.645  -3.646
  138    HE3  LYS  22           1HE      LYS  22  -4.525  12.356  -3.873
  139    HZ1  LYS  22           3HZ      LYS  22  -5.740  11.843  -5.933
  140    HZ2  LYS  22           1HZ      LYS  22  -5.649  10.207  -5.603
  141    HZ3  LYS  22           2HZ      LYS  22  -4.238  11.091  -5.876
  142    H    CYS  23           H        CYS  23  -1.329   6.129  -2.985
  143    HA   CYS  23           HA       CYS  23  -1.118   5.177  -0.390
  144    HB2  CYS  23           2HB      CYS  23  -2.059   3.811  -2.139
  145    HB3  CYS  23           1HB      CYS  23  -0.565   3.866  -3.053
  146    H    SER  24           H        SER  24   1.426   5.245  -2.936
  147    HA   SER  24           HA       SER  24   3.418   4.294  -1.273
  148    HB2  SER  24           2HB      SER  24   4.957   5.417  -3.011
  149    HB3  SER  24           1HB      SER  24   3.875   4.136  -3.554
  150    HG   SER  24           HG       SER  24   3.455   5.605  -4.960
  151    H    GLN  25           H        GLN  25   2.552   7.632  -2.047
  152    HA   GLN  25           HA       GLN  25   4.616   8.891  -0.668
  153    HB2  GLN  25           2HB      GLN  25   3.014  10.001  -2.270
  154    HB3  GLN  25           1HB      GLN  25   1.772   9.903  -1.045
  155    HG2  GLN  25           2HG      GLN  25   4.340  11.409  -0.604
  156    HG3  GLN  25           1HG      GLN  25   2.948  12.140  -1.387
  157   HE21  GLN  25          1HE2      GLN  25   0.972  10.885   0.262
  158   HE22  GLN  25          2HE2      GLN  25   1.094  11.565   1.838
  159    H    GLN  26           H        GLN  26   1.359   8.003   0.481
  160    HA   GLN  26           HA       GLN  26   1.782   9.049   3.074
  161    HB2  GLN  26           2HB      GLN  26  -0.457   8.767   2.146
  162    HB3  GLN  26           1HB      GLN  26  -0.246   7.025   2.150
  163    HG2  GLN  26           2HG      GLN  26  -0.163   6.980   4.561
  164    HG3  GLN  26           1HG      GLN  26  -0.215   8.739   4.631
  165   HE21  GLN  26          1HE2      GLN  26  -2.035   6.696   5.762
  166   HE22  GLN  26          2HE2      GLN  26  -3.585   7.071   5.143
  167    H    CYS  27           H        CYS  27   2.027   5.804   1.735
  168    HA   CYS  27           HA       CYS  27   2.506   4.381   4.065
  169    HB2  CYS  27           2HB      CYS  27   2.134   3.299   1.930
  170    HB3  CYS  27           1HB      CYS  27   3.612   3.990   1.280
  171    H    LYS  28           H        LYS  28   4.818   6.069   1.967
  172    HA   LYS  28           HA       LYS  28   7.211   5.462   3.319
  173    HB2  LYS  28           2HB      LYS  28   6.468   7.857   1.628
  174    HB3  LYS  28           1HB      LYS  28   8.093   7.460   2.155
  175    HG2  LYS  28           2HG      LYS  28   8.147   5.518   0.790
  176    HG3  LYS  28           1HG      LYS  28   6.423   5.632   0.466
  177    HD2  LYS  28           2HD      LYS  28   7.548   6.400  -1.496
  178    HD3  LYS  28           1HD      LYS  28   6.854   7.805  -0.711
  179    HE2  LYS  28           2HE      LYS  28   9.768   6.967  -0.568
  180    HE3  LYS  28           1HE      LYS  28   9.100   8.199  -1.631
  181    HZ1  LYS  28           3HZ      LYS  28   9.318   8.334   1.340
  182    HZ2  LYS  28           1HZ      LYS  28   8.460   9.454   0.420
  183    HZ3  LYS  28           2HZ      LYS  28  10.099   9.268   0.215
  184    H    ASP  29           H        ASP  29   5.008   8.226   3.470
  185    HA   ASP  29           HA       ASP  29   6.471   9.711   5.393
  186    HB2  ASP  29           2HB      ASP  29   4.773  10.690   3.848
  187    HB3  ASP  29           1HB      ASP  29   3.514   9.852   4.741
  188    H    ARG  30           H        ARG  30   3.959   7.330   5.595
  189    HA   ARG  30           HA       ARG  30   3.357   7.660   8.317
  190    HB2  ARG  30           2HB      ARG  30   2.651   5.584   6.312
  191    HB3  ARG  30           1HB      ARG  30   2.387   5.256   8.013
  192    HG2  ARG  30           2HG      ARG  30   1.247   7.603   6.509
  193    HG3  ARG  30           1HG      ARG  30   0.385   6.103   6.862
  194    HD2  ARG  30           2HD      ARG  30   1.444   8.116   8.851
  195    HD3  ARG  30           1HD      ARG  30  -0.236   7.730   8.504
  196    HE   ARG  30           HE       ARG  30   1.031   5.374   9.299
  197   HH11  ARG  30          1HH1      ARG  30  -0.150   8.390  10.693
  198   HH12  ARG  30          2HH1      ARG  30  -0.113   7.813  12.284
  199   HH21  ARG  30          1HH2      ARG  30   1.061   4.585  11.456
  200   HH22  ARG  30          2HH2      ARG  30   0.602   5.607  12.745
  201    H    GLU  31           H        GLU  31   4.778   4.632   6.956
  202    HA   GLU  31           HA       GLU  31   6.546   4.415   9.224
  203    HB2  GLU  31           2HB      GLU  31   5.309   2.785  10.535
  204    HB3  GLU  31           1HB      GLU  31   4.470   4.329  10.448
  205    HG2  GLU  31           2HG      GLU  31   3.014   3.361   8.661
  206    HG3  GLU  31           1HG      GLU  31   3.798   1.811   8.932
  207    H    HIS  32           H        HIS  32   6.235   3.565   6.270
  208    HA   HIS  32           HA       HIS  32   6.954   0.833   6.882
  209    HB2  HIS  32           2HB      HIS  32   5.271   1.676   4.570
  210    HB3  HIS  32           1HB      HIS  32   6.160   0.164   4.561
  211    HD1  HIS  32           1HD      HIS  32   5.335  -1.697   6.268
  212    HD2  HIS  32           2HD      HIS  32   2.991   1.734   6.091
  213    HE1  HIS  32           1HE      HIS  32   3.153  -2.316   7.297
  214    H    PHE  33           H        PHE  33   7.246   2.190   3.623
  215    HA   PHE  33           HA       PHE  33  10.136   1.740   3.857
  216    HB2  PHE  33           2HB      PHE  33   8.580   0.440   1.618
  217    HB3  PHE  33           1HB      PHE  33  10.208   0.086   2.171
  218    HD1  PHE  33           1HD      PHE  33  10.439  -1.028   4.484
  219    HD2  PHE  33           2HD      PHE  33   6.785  -0.817   2.336
  220    HE1  PHE  33           1HE      PHE  33   9.518  -2.847   5.873
  221    HE2  PHE  33           2HE      PHE  33   5.855  -2.627   3.718
  222    HZ   PHE  33           HZ       PHE  33   7.225  -3.640   5.493
  223    H    ALA  34           H        ALA  34  11.267   2.626   2.051
  224    HA   ALA  34           HA       ALA  34  10.183   5.034   1.031
  225    HB1  ALA  34           1HB      ALA  34  12.570   4.751   1.514
  226    HB2  ALA  34           2HB      ALA  34  12.299   5.243  -0.160
  227    HB3  ALA  34           3HB      ALA  34  12.673   3.561   0.216
  228    H    TYR  35           H        TYR  35  10.013   1.840  -0.015
  229    HA   TYR  35           HA       TYR  35   9.703   2.334  -2.816
  230    HB2  TYR  35           2HB      TYR  35   8.968  -0.068  -1.126
  231    HB3  TYR  35           1HB      TYR  35   8.802  -0.011  -2.876
  232    HD1  TYR  35           1HD      TYR  35  10.764   0.075  -4.280
  233    HD2  TYR  35           2HD      TYR  35  11.121  -0.358  -0.095
  234    HE1  TYR  35           1HE      TYR  35  13.119  -0.613  -4.566
  235    HE2  TYR  35           2HE      TYR  35  13.454  -1.048  -0.337
  236    HH   TYR  35           HH       TYR  35  14.968  -1.902  -1.933
  237    H    GLY  36           H        GLY  36   7.709   2.685  -0.073
  238    HA2  GLY  36           2HA      GLY  36   5.612   3.540   0.089
  239    HA3  GLY  36           1HA      GLY  36   5.596   3.716  -1.662
  240    H    GLY  37           H        GLY  37   3.794   2.734  -2.408
  241    HA2  GLY  37           2HA      GLY  37   3.385  -0.016  -2.019
  242    HA3  GLY  37           1HA      GLY  37   2.264   0.971  -1.092
  243    H    ALA  38           H        ALA  38   1.013  -0.434  -2.776
  244    HA   ALA  38           HA       ALA  38   0.189   1.456  -4.827
  245    HB1  ALA  38           1HB      ALA  38   1.687  -0.106  -5.956
  246    HB2  ALA  38           2HB      ALA  38   0.023  -0.334  -6.502
  247    HB3  ALA  38           3HB      ALA  38   0.742  -1.467  -5.353
  248    H    CYS  39           H        CYS  39  -2.031   0.904  -5.627
  249    HA   CYS  39           HA       CYS  39  -3.633   0.073  -3.374
  250    HB2  CYS  39           2HB      CYS  39  -4.468   1.018  -6.118
  251    HB3  CYS  39           1HB      CYS  39  -5.535   0.791  -4.742
  252    H    HIS  40           H        HIS  40  -4.085  -1.995  -3.073
  253    HA   HIS  40           HA       HIS  40  -4.525  -3.695  -5.425
  254    HB2  HIS  40           2HB      HIS  40  -2.421  -4.270  -4.235
  255    HB3  HIS  40           1HB      HIS  40  -3.316  -4.445  -2.738
  256    HD1  HIS  40           1HD      HIS  40  -2.623  -6.192  -5.987
  257    HD2  HIS  40           2HD      HIS  40  -4.610  -6.859  -2.405
  258    HE1  HIS  40           1HE      HIS  40  -3.157  -8.654  -5.939
  259    H    TYR  41           H        TYR  41  -6.371  -4.989  -5.346
  260    HA   TYR  41           HA       TYR  41  -8.412  -3.925  -3.665
  261    HB2  TYR  41           2HB      TYR  41  -8.689  -4.717  -6.099
  262    HB3  TYR  41           1HB      TYR  41  -8.804  -6.347  -5.429
  263    HD1  TYR  41           1HD      TYR  41 -10.548  -6.012  -3.069
  264    HD2  TYR  41           2HD      TYR  41 -10.771  -4.054  -6.839
  265    HE1  TYR  41           1HE      TYR  41 -12.900  -5.611  -2.706
  266    HE2  TYR  41           2HE      TYR  41 -13.147  -3.636  -6.476
  267    HH   TYR  41           HH       TYR  41 -14.601  -4.013  -3.435
  268    H    GLN  42           H        GLN  42  -8.700  -4.505  -1.692
  269    HA   GLN  42           HA       GLN  42  -8.217  -7.266  -0.855
  270    HB2  GLN  42           2HB      GLN  42  -6.906  -5.555   0.355
  271    HB3  GLN  42           1HB      GLN  42  -8.381  -4.674   0.716
  272    HG2  GLN  42           2HG      GLN  42  -9.169  -6.564   2.043
  273    HG3  GLN  42           1HG      GLN  42  -7.671  -7.423   1.714
  274   HE21  GLN  42          1HE2      GLN  42  -7.127  -7.505   3.865
  275   HE22  GLN  42          2HE2      GLN  42  -6.620  -6.108   4.757
  276    H    PHE  43           H        PHE  43  -9.985  -8.166   0.404
  277    HA   PHE  43           HA       PHE  43 -12.479  -6.980  -0.368
  278    HB2  PHE  43           2HB      PHE  43 -12.131  -9.442  -0.605
  279    HB3  PHE  43           1HB      PHE  43 -11.973  -9.565   1.141
  280    HD1  PHE  43           1HD      PHE  43 -14.343  -8.406  -1.480
  281    HD2  PHE  43           2HD      PHE  43 -13.832 -10.060   2.392
  282    HE1  PHE  43           1HE      PHE  43 -16.773  -8.725  -1.303
  283    HE2  PHE  43           2HE      PHE  43 -16.261 -10.381   2.581
  284    HZ   PHE  43           HZ       PHE  43 -17.732  -9.710   0.728
  285    HA   PRO  44           HA       PRO  44 -14.309  -6.471   0.085
  286    HB2  PRO  44           2HB      PRO  44 -16.055  -4.673   0.923
  287    HB3  PRO  44           1HB      PRO  44 -16.025  -6.304   1.599
  288    HG2  PRO  44           2HG      PRO  44 -15.073  -3.752   2.795
  289    HG3  PRO  44           1HG      PRO  44 -15.764  -5.175   3.588
  290    HD2  PRO  44           2HD      PRO  44 -13.008  -4.522   3.334
  291    HD3  PRO  44           1HD      PRO  44 -13.698  -6.035   3.953
  292    H    SER  45           H        SER  45 -12.193  -4.006   1.240
  293    HA   SER  45           HA       SER  45 -12.762  -2.529  -1.187
  294    HB2  SER  45           2HB      SER  45 -12.306  -0.371   0.090
  295    HB3  SER  45           1HB      SER  45 -13.825  -1.190   0.445
  296    HG   SER  45           HG       SER  45 -12.732  -0.495   2.309
  297    H    VAL  46           H        VAL  46 -11.141  -1.579  -2.269
  298    HA   VAL  46           HA       VAL  46  -8.588  -2.673  -2.327
  299    HB   VAL  46           HB       VAL  46  -9.327   0.119  -3.254
  300   HG11  VAL  46          1HG1      VAL  46  -7.189  -1.752  -4.245
  301   HG12  VAL  46          2HG1      VAL  46  -6.929  -0.338  -3.236
  302   HG13  VAL  46          3HG1      VAL  46  -7.545  -0.144  -4.882
  303   HG21  VAL  46          3HG2      VAL  46  -9.523  -2.470  -4.767
  304   HG22  VAL  46          1HG2      VAL  46  -9.825  -0.865  -5.418
  305   HG23  VAL  46          2HG2      VAL  46 -10.886  -1.522  -4.168
  306    H    LYS  47           H        LYS  47  -6.785  -2.381  -1.221
  307    HA   LYS  47           HA       LYS  47  -6.759  -0.196   0.746
  308    HB2  LYS  47           2HB      LYS  47  -7.187  -2.532   1.645
  309    HB3  LYS  47           1HB      LYS  47  -5.600  -2.964   1.063
  310    HG2  LYS  47           2HG      LYS  47  -5.507  -2.566   3.432
  311    HG3  LYS  47           1HG      LYS  47  -4.594  -1.316   2.592
  312    HD2  LYS  47           2HD      LYS  47  -5.947  -0.386   4.425
  313    HD3  LYS  47           1HD      LYS  47  -6.451   0.246   2.861
  314    HE2  LYS  47           2HE      LYS  47  -8.371  -0.302   4.286
  315    HE3  LYS  47           1HE      LYS  47  -8.354  -1.288   2.832
  316    HZ1  LYS  47           3HZ      LYS  47  -8.905  -2.561   4.803
  317    HZ2  LYS  47           1HZ      LYS  47  -7.443  -2.195   5.533
  318    HZ3  LYS  47           2HZ      LYS  47  -7.492  -3.152   4.141
  319    H    CYS  48           H        CYS  48  -4.595   0.474   1.330
  320    HA   CYS  48           HA       CYS  48  -2.777   0.605  -0.880
  321    HB2  CYS  48           2HB      CYS  48  -3.185   2.535   0.585
  322    HB3  CYS  48           1HB      CYS  48  -2.653   1.612   1.973
  323    H    PHE  49           H        PHE  49  -1.413  -1.026  -1.257
  324    HA   PHE  49           HA       PHE  49  -0.477  -2.602   1.014
  325    HB2  PHE  49           2HB      PHE  49  -0.821  -3.308  -1.895
  326    HB3  PHE  49           1HB      PHE  49   0.249  -4.223  -0.849
  327    HD1  PHE  49           2HD      PHE  49  -3.297  -3.016  -0.953
  328    HD2  PHE  49           1HD      PHE  49  -0.580  -6.064   0.224
  329    HE1  PHE  49           2HE      PHE  49  -5.181  -4.417  -0.230
  330    HE2  PHE  49           1HE      PHE  49  -2.459  -7.461   0.957
  331    HZ   PHE  49           HZ       PHE  49  -4.763  -6.644   0.735
  332    H    CYS  50           H        CYS  50   1.354  -2.003   1.680
  333    HA   CYS  50           HA       CYS  50   3.152  -0.418   0.132
  334    HB2  CYS  50           2HB      CYS  50   3.340  -1.576   2.906
  335    HB3  CYS  50           1HB      CYS  50   4.571  -0.546   2.182
  336    H    LYS  51           H        LYS  51   5.266  -0.968  -0.393
  337    HA   LYS  51           HA       LYS  51   5.504  -3.840  -0.881
  338    HB2  LYS  51           2HB      LYS  51   6.781  -1.605  -2.462
  339    HB3  LYS  51           1HB      LYS  51   6.736  -3.294  -2.906
  340    HG2  LYS  51           2HG      LYS  51   4.149  -3.031  -2.824
  341    HG3  LYS  51           1HG      LYS  51   4.497  -1.310  -2.882
  342    HD2  LYS  51           2HD      LYS  51   4.047  -2.036  -5.105
  343    HD3  LYS  51           1HD      LYS  51   5.783  -1.732  -4.989
  344    HE2  LYS  51           2HE      LYS  51   6.254  -4.051  -4.800
  345    HE3  LYS  51           1HE      LYS  51   4.547  -4.445  -4.618
  346    HZ1  LYS  51           3HZ      LYS  51   4.177  -3.760  -6.873
  347    HZ2  LYS  51           1HZ      LYS  51   5.375  -4.934  -6.810
  348    HZ3  LYS  51           2HZ      LYS  51   5.800  -3.321  -7.065
  349    H    ARG  52           H        ARG  52   6.812  -4.733   0.465
  350    HA   ARG  52           HA       ARG  52   8.993  -3.205   1.626
  351    HB2  ARG  52           2HB      ARG  52   9.386  -5.111   3.104
  352    HB3  ARG  52           1HB      ARG  52   7.698  -4.634   3.150
  353    HG2  ARG  52           2HG      ARG  52   7.079  -6.499   1.785
  354    HG3  ARG  52           1HG      ARG  52   8.772  -6.923   1.523
  355    HD2  ARG  52           2HD      ARG  52   7.290  -6.977   4.149
  356    HD3  ARG  52           1HD      ARG  52   7.766  -8.377   3.198
  357    HE   ARG  52           HE       ARG  52   9.637  -6.538   4.551
  358   HH11  ARG  52          1HH1      ARG  52   8.926  -9.775   3.254
  359   HH12  ARG  52          2HH1      ARG  52  10.364 -10.460   3.851
  360   HH21  ARG  52          1HH2      ARG  52  11.562  -7.499   5.365
  361   HH22  ARG  52          2HH2      ARG  52  11.911  -9.146   5.090
  362    H    GLN  53           H        GLN  53  11.142  -3.943   1.622
  363    HA   GLN  53           HA       GLN  53  11.931  -4.895  -0.967
  364    HB2  GLN  53           2HB      GLN  53  13.088  -3.088   0.375
  365    HB3  GLN  53           1HB      GLN  53  13.651  -4.361   1.450
  366    HG2  GLN  53           2HG      GLN  53  14.756  -5.437  -0.484
  367    HG3  GLN  53           1HG      GLN  53  14.214  -4.060  -1.452
  368   HE21  GLN  53          1HE2      GLN  53  16.423  -5.125   0.975
  369   HE22  GLN  53          2HE2      GLN  53  17.390  -3.697   0.986
  370    H    CYS  54           H        CYS  54  12.353  -6.999  -1.424
  371    HA   CYS  54           HA       CYS  54  12.828  -8.768   0.847
  372    HB2  CYS  54           2HB      CYS  54  11.142  -9.334  -1.608
  373    HB3  CYS  54           1HB      CYS  54  11.553 -10.514  -0.369
  Start of MODEL   15
    1    H1   ASP   1           1HT      ASP   1  16.712  -3.973  -8.700
    2    H2   ASP   1           2HT      ASP   1  17.345  -2.939  -9.844
    3    H3   ASP   1           3HT      ASP   1  17.260  -4.591 -10.161
    4    HA   ASP   1           HA       ASP   1  14.965  -2.739  -9.798
    5    HB2  ASP   1           2HB      ASP   1  15.869  -4.224 -12.272
    6    HB3  ASP   1           1HB      ASP   1  14.423  -3.233 -12.141
    7    H    GLY   2           H        GLY   2  16.008  -6.055 -10.537
    8    HA2  GLY   2           2HA      GLY   2  13.366  -7.103 -10.410
    9    HA3  GLY   2           1HA      GLY   2  14.869  -8.017 -10.508
   10    H    VAL   3           H        VAL   3  12.777  -6.256  -8.391
   11    HA   VAL   3           HA       VAL   3  13.812  -7.780  -6.099
   12    HB   VAL   3           HB       VAL   3  12.489  -5.053  -6.075
   13   HG11  VAL   3          1HG1      VAL   3  12.147  -6.347  -4.030
   14   HG12  VAL   3          2HG1      VAL   3  13.182  -4.945  -3.758
   15   HG13  VAL   3          3HG1      VAL   3  13.894  -6.554  -3.878
   16   HG21  VAL   3          3HG2      VAL   3  15.390  -5.736  -5.696
   17   HG22  VAL   3          1HG2      VAL   3  14.663  -4.138  -5.531
   18   HG23  VAL   3          2HG2      VAL   3  14.695  -4.934  -7.111
   19    H    LYS   4           H        LYS   4  12.324  -9.038  -5.160
   20    HA   LYS   4           HA       LYS   4   9.585  -8.906  -6.068
   21    HB2  LYS   4           2HB      LYS   4  10.903 -10.726  -4.046
   22    HB3  LYS   4           1HB      LYS   4   9.279 -10.912  -4.688
   23    HG2  LYS   4           2HG      LYS   4  11.852 -11.163  -6.229
   24    HG3  LYS   4           1HG      LYS   4  10.783 -12.478  -5.747
   25    HD2  LYS   4           2HD      LYS   4   8.988 -11.474  -7.119
   26    HD3  LYS   4           1HD      LYS   4  10.130 -10.225  -7.623
   27    HE2  LYS   4           2HE      LYS   4  10.470 -13.181  -8.105
   28    HE3  LYS   4           1HE      LYS   4   9.876 -12.028  -9.298
   29    HZ1  LYS   4           3HZ      LYS   4  12.596 -12.105  -8.083
   30    HZ2  LYS   4           1HZ      LYS   4  12.044 -10.870  -9.090
   31    HZ3  LYS   4           2HZ      LYS   4  12.164 -12.432  -9.670
   32    H    LEU   5           H        LEU   5   8.049  -7.909  -4.967
   33    HA   LEU   5           HA       LEU   5   8.788  -6.875  -2.324
   34    HB2  LEU   5           2HB      LEU   5   6.756  -5.673  -4.221
   35    HB3  LEU   5           1HB      LEU   5   7.370  -5.010  -2.707
   36    HG   LEU   5           HG       LEU   5   9.078  -5.416  -5.161
   37   HD11  LEU   5          1HD1      LEU   5   7.333  -3.744  -5.543
   38   HD12  LEU   5          2HD1      LEU   5   8.948  -3.043  -5.488
   39   HD13  LEU   5          3HD1      LEU   5   7.871  -2.867  -4.107
   40   HD21  LEU   5          3HD2      LEU   5   9.553  -3.948  -2.573
   41   HD22  LEU   5          1HD2      LEU   5  10.641  -3.965  -3.963
   42   HD23  LEU   5          2HD2      LEU   5  10.315  -5.456  -3.084
   43    H    CYS   6           H        CYS   6   7.024  -6.639  -0.850
   44    HA   CYS   6           HA       CYS   6   4.858  -8.560  -1.343
   45    HB2  CYS   6           2HB      CYS   6   6.233  -8.087   1.319
   46    HB3  CYS   6           1HB      CYS   6   4.997  -9.286   0.967
   47    H    ASP   7           H        ASP   7   2.856  -7.946  -0.549
   48    HA   ASP   7           HA       ASP   7   2.512  -5.086  -0.254
   49    HB2  ASP   7           2HB      ASP   7   0.495  -7.327  -0.454
   50    HB3  ASP   7           1HB      ASP   7   0.052  -5.643  -0.305
   51    H    VAL   8           H        VAL   8   2.408  -4.127   1.584
   52    HA   VAL   8           HA       VAL   8   1.594  -5.601   3.995
   53    HB   VAL   8           HB       VAL   8   3.152  -3.006   3.784
   54   HG11  VAL   8          1HG1      VAL   8   1.874  -3.115   5.837
   55   HG12  VAL   8          2HG1      VAL   8   3.598  -3.279   6.172
   56   HG13  VAL   8          3HG1      VAL   8   2.555  -4.703   6.198
   57   HG21  VAL   8          3HG2      VAL   8   5.098  -4.270   4.522
   58   HG22  VAL   8          1HG2      VAL   8   4.480  -4.879   2.990
   59   HG23  VAL   8          2HG2      VAL   8   4.152  -5.759   4.484
   60    HA   PRO   9           HA       PRO   9  -2.069  -3.015   3.298
   61    HB2  PRO   9           2HB      PRO   9  -3.390  -3.892   5.561
   62    HB3  PRO   9           1HB      PRO   9  -3.453  -4.700   3.993
   63    HG2  PRO   9           2HG      PRO   9  -1.821  -5.350   6.398
   64    HG3  PRO   9           1HG      PRO   9  -2.601  -6.442   5.240
   65    HD2  PRO   9           2HD      PRO   9   0.041  -5.926   5.225
   66    HD3  PRO   9           1HD      PRO   9  -0.863  -6.280   3.736
   67    H    SER  10           H        SER  10  -1.895  -0.923   3.768
   68    HA   SER  10           HA       SER  10  -0.541   0.088   6.005
   69    HB2  SER  10           2HB      SER  10  -2.510   1.530   4.248
   70    HB3  SER  10           1HB      SER  10  -1.106   2.197   5.086
   71    HG   SER  10           HG       SER  10   0.244   1.212   3.617
   72    H    GLY  11           H        GLY  11  -1.363  -0.062   8.010
   73    HA2  GLY  11           2HA      GLY  11  -4.057  -0.592   8.650
   74    HA3  GLY  11           1HA      GLY  11  -2.821  -0.068   9.784
   75    H    THR  12           H        THR  12  -2.363   2.418   8.239
   76    HA   THR  12           HA       THR  12  -4.234   4.013   9.624
   77    HB   THR  12           HB       THR  12  -2.915   5.815   8.285
   78    HG1  THR  12           1HG      THR  12  -1.811   4.776   6.830
   79   HG21  THR  12          3HG2      THR  12  -1.559   4.007  10.294
   80   HG22  THR  12          1HG2      THR  12  -2.651   5.331  10.698
   81   HG23  THR  12          2HG2      THR  12  -1.101   5.668   9.928
   82    H    TRP  13           H        TRP  13  -4.168   2.728   6.393
   83    HA   TRP  13           HA       TRP  13  -6.120   4.750   5.535
   84    HB2  TRP  13           2HB      TRP  13  -4.027   4.278   4.146
   85    HB3  TRP  13           1HB      TRP  13  -4.747   2.714   3.774
   86    HD1  TRP  13           HD       TRP  13  -7.588   3.302   2.867
   87    HE1  TRP  13           1HE      TRP  13  -8.154   4.859   0.889
   88    HE3  TRP  13           3HE      TRP  13  -3.229   5.955   2.651
   89    HZ2  TRP  13           2HZ      TRP  13  -6.888   6.908  -0.590
   90    HZ3  TRP  13           3HZ      TRP  13  -2.976   7.674   0.930
   91    HH2  TRP  13           HH       TRP  13  -4.756   8.144  -0.653
   92    H    SER  14           H        SER  14  -8.120   4.094   5.895
   93    HA   SER  14           HA       SER  14  -8.772   1.299   5.337
   94    HB2  SER  14           2HB      SER  14 -10.509   1.475   7.124
   95    HB3  SER  14           1HB      SER  14  -8.880   1.669   7.757
   96    HG   SER  14           HG       SER  14  -9.364   4.035   7.424
   97    H    GLY  15           H        GLY  15 -10.883   1.006   4.356
   98    HA2  GLY  15           2HA      GLY  15 -12.944   1.989   3.609
   99    HA3  GLY  15           1HA      GLY  15 -12.090   3.510   3.430
  100    H    HIS  16           H        HIS  16 -11.332   4.027   1.518
  101    HA   HIS  16           HA       HIS  16 -11.002   1.917  -0.484
  102    HB2  HIS  16           2HB      HIS  16 -13.199   2.973  -0.848
  103    HB3  HIS  16           1HB      HIS  16 -12.442   4.559  -0.886
  104    HD1  HIS  16           1HD      HIS  16 -12.495   1.328  -2.886
  105    HD2  HIS  16           2HD      HIS  16 -11.691   5.376  -3.350
  106    HE1  HIS  16           1HE      HIS  16 -12.020   1.672  -5.347
  107    H    CYS  17           H        CYS  17  -9.125   2.065  -1.523
  108    HA   CYS  17           HA       CYS  17  -7.542   4.478  -1.113
  109    HB2  CYS  17           2HB      CYS  17  -6.572   2.175  -0.702
  110    HB3  CYS  17           1HB      CYS  17  -6.692   1.888  -2.431
  111    H    GLY  18           H        GLY  18  -8.305   5.955  -2.530
  112    HA2  GLY  18           2HA      GLY  18  -8.286   5.149  -5.355
  113    HA3  GLY  18           1HA      GLY  18  -9.400   6.338  -4.692
  114    H    SER  19           H        SER  19  -5.974   5.997  -3.995
  115    HA   SER  19           HA       SER  19  -5.275   8.227  -5.645
  116    HB2  SER  19           2HB      SER  19  -5.032   8.430  -2.631
  117    HB3  SER  19           1HB      SER  19  -4.371   9.594  -3.779
  118    HG   SER  19           HG       SER  19  -6.957   9.131  -4.292
  119    H    SER  20           H        SER  20  -3.781   7.064  -6.645
  120    HA   SER  20           HA       SER  20  -2.219   5.011  -5.546
  121    HB2  SER  20           2HB      SER  20  -1.715   6.629  -8.049
  122    HB3  SER  20           1HB      SER  20  -1.024   5.048  -7.679
  123    HG   SER  20           HG       SER  20  -3.794   5.339  -7.564
  124    H    SER  21           H        SER  21  -1.422   8.403  -6.213
  125    HA   SER  21           HA       SER  21   1.316   8.215  -5.518
  126    HB2  SER  21           2HB      SER  21   0.482  10.021  -6.962
  127    HB3  SER  21           1HB      SER  21  -0.539  10.608  -5.656
  128    HG   SER  21           HG       SER  21   2.287  10.514  -5.669
  129    H    LYS  22           H        LYS  22  -1.609   9.047  -3.766
  130    HA   LYS  22           HA       LYS  22  -0.203   9.895  -1.450
  131    HB2  LYS  22           2HB      LYS  22  -3.100   9.220  -1.815
  132    HB3  LYS  22           1HB      LYS  22  -2.416   9.872  -0.331
  133    HG2  LYS  22           2HG      LYS  22  -1.653  11.844  -1.595
  134    HG3  LYS  22           1HG      LYS  22  -2.462  11.196  -3.026
  135    HD2  LYS  22           2HD      LYS  22  -4.588  11.246  -1.867
  136    HD3  LYS  22           1HD      LYS  22  -3.783  11.829  -0.407
  137    HE2  LYS  22           2HE      LYS  22  -3.064  13.833  -1.633
  138    HE3  LYS  22           1HE      LYS  22  -3.935  13.245  -3.050
  139    HZ1  LYS  22           3HZ      LYS  22  -5.982  13.374  -1.841
  140    HZ2  LYS  22           1HZ      LYS  22  -5.208  14.865  -1.762
  141    HZ3  LYS  22           2HZ      LYS  22  -5.195  13.824  -0.433
  142    H    CYS  23           H        CYS  23  -1.458   6.843  -2.520
  143    HA   CYS  23           HA       CYS  23  -1.254   5.558  -0.028
  144    HB2  CYS  23           2HB      CYS  23  -2.488   4.563  -1.917
  145    HB3  CYS  23           1HB      CYS  23  -0.987   4.401  -2.818
  146    H    SER  24           H        SER  24   1.003   5.988  -2.749
  147    HA   SER  24           HA       SER  24   3.180   4.612  -1.671
  148    HB2  SER  24           2HB      SER  24   3.208   7.042  -3.479
  149    HB3  SER  24           1HB      SER  24   4.502   5.851  -3.300
  150    HG   SER  24           HG       SER  24   2.400   4.443  -3.908
  151    H    GLN  25           H        GLN  25   2.267   8.032  -1.552
  152    HA   GLN  25           HA       GLN  25   4.292   9.100  -0.019
  153    HB2  GLN  25           2HB      GLN  25   2.613  10.466  -1.125
  154    HB3  GLN  25           1HB      GLN  25   1.362   9.799  -0.090
  155    HG2  GLN  25           2HG      GLN  25   2.384  10.862   1.852
  156    HG3  GLN  25           1HG      GLN  25   3.651  11.525   0.819
  157   HE21  GLN  25          1HE2      GLN  25   3.170  13.182  -0.560
  158   HE22  GLN  25          2HE2      GLN  25   1.738  14.124  -0.427
  159    H    GLN  26           H        GLN  26   1.199   7.726   1.101
  160    HA   GLN  26           HA       GLN  26   1.493   8.168   3.830
  161    HB2  GLN  26           2HB      GLN  26  -0.582   7.389   2.721
  162    HB3  GLN  26           1HB      GLN  26   0.163   5.810   2.508
  163    HG2  GLN  26           2HG      GLN  26   0.434   5.727   5.010
  164    HG3  GLN  26           1HG      GLN  26  -0.582   7.161   5.085
  165   HE21  GLN  26          1HE2      GLN  26  -0.975   4.473   2.842
  166   HE22  GLN  26          2HE2      GLN  26  -2.468   3.958   3.471
  167    H    CYS  27           H        CYS  27   2.429   5.376   1.879
  168    HA   CYS  27           HA       CYS  27   3.394   3.876   4.041
  169    HB2  CYS  27           2HB      CYS  27   3.937   3.662   1.095
  170    HB3  CYS  27           1HB      CYS  27   4.485   2.484   2.288
  171    H    LYS  28           H        LYS  28   4.986   6.157   1.888
  172    HA   LYS  28           HA       LYS  28   7.611   5.620   2.923
  173    HB2  LYS  28           2HB      LYS  28   6.531   7.964   1.351
  174    HB3  LYS  28           1HB      LYS  28   8.230   7.681   1.706
  175    HG2  LYS  28           2HG      LYS  28   8.231   5.674   0.382
  176    HG3  LYS  28           1HG      LYS  28   6.485   5.786   0.156
  177    HD2  LYS  28           2HD      LYS  28   7.684   6.550  -1.834
  178    HD3  LYS  28           1HD      LYS  28   6.768   7.862  -1.097
  179    HE2  LYS  28           2HE      LYS  28   8.808   8.675  -0.027
  180    HE3  LYS  28           1HE      LYS  28   9.727   7.368  -0.776
  181    HZ1  LYS  28           3HZ      LYS  28   9.140   8.279  -2.942
  182    HZ2  LYS  28           1HZ      LYS  28   9.932   9.435  -1.998
  183    HZ3  LYS  28           2HZ      LYS  28   8.265   9.511  -2.205
  184    H    ASP  29           H        ASP  29   4.942   7.549   3.838
  185    HA   ASP  29           HA       ASP  29   6.374   9.365   5.546
  186    HB2  ASP  29           2HB      ASP  29   4.310  10.080   4.466
  187    HB3  ASP  29           1HB      ASP  29   3.422   8.787   5.259
  188    H    ARG  30           H        ARG  30   4.076   6.695   6.111
  189    HA   ARG  30           HA       ARG  30   4.382   6.752   8.921
  190    HB2  ARG  30           2HB      ARG  30   2.371   6.028   7.603
  191    HB3  ARG  30           1HB      ARG  30   3.269   4.586   7.159
  192    HG2  ARG  30           2HG      ARG  30   3.559   4.127   9.542
  193    HG3  ARG  30           1HG      ARG  30   2.437   5.457   9.877
  194    HD2  ARG  30           2HD      ARG  30   0.780   4.276   8.388
  195    HD3  ARG  30           1HD      ARG  30   1.885   2.904   8.359
  196    HE   ARG  30           HE       ARG  30   0.354   3.892  10.640
  197   HH11  ARG  30          1HH1      ARG  30   2.772   1.520   9.645
  198   HH12  ARG  30          2HH1      ARG  30   2.096   0.250  10.562
  199   HH21  ARG  30          1HH2      ARG  30  -0.544   2.145  11.956
  200   HH22  ARG  30          2HH2      ARG  30   0.212   0.627  11.948
  201    H    GLU  31           H        GLU  31   5.459   4.549   6.298
  202    HA   GLU  31           HA       GLU  31   7.169   3.140   8.218
  203    HB2  GLU  31           2HB      GLU  31   6.365   2.308   5.421
  204    HB3  GLU  31           1HB      GLU  31   7.104   1.312   6.657
  205    HG2  GLU  31           2HG      GLU  31   4.292   2.395   6.710
  206    HG3  GLU  31           1HG      GLU  31   4.753   0.752   6.287
  207    H    HIS  32           H        HIS  32   9.065   2.225   6.547
  208    HA   HIS  32           HA       HIS  32   9.776   4.463   4.831
  209    HB2  HIS  32           2HB      HIS  32  11.207   4.427   6.924
  210    HB3  HIS  32           1HB      HIS  32  11.839   2.874   6.378
  211    HD1  HIS  32           1HD      HIS  32  13.730   2.952   4.613
  212    HD2  HIS  32           2HD      HIS  32  11.854   6.606   5.227
  213    HE1  HIS  32           1HE      HIS  32  15.073   4.633   3.331
  214    H    PHE  33           H        PHE  33   8.911   3.418   3.146
  215    HA   PHE  33           HA       PHE  33  10.555   1.237   2.120
  216    HB2  PHE  33           2HB      PHE  33   7.552   1.532   1.747
  217    HB3  PHE  33           1HB      PHE  33   8.551   0.358   0.909
  218    HD1  PHE  33           2HD      PHE  33  10.072  -1.065   2.682
  219    HD2  PHE  33           1HD      PHE  33   6.284   0.705   3.475
  220    HE1  PHE  33           2HE      PHE  33   9.711  -2.657   4.518
  221    HE2  PHE  33           1HE      PHE  33   5.926  -0.897   5.309
  222    HZ   PHE  33           HZ       PHE  33   7.631  -2.572   5.830
  223    H    ALA  34           H        ALA  34  11.626   1.955   0.437
  224    HA   ALA  34           HA       ALA  34  11.081   4.470  -0.774
  225    HB1  ALA  34           1HB      ALA  34  13.356   3.594  -0.510
  226    HB2  ALA  34           2HB      ALA  34  12.998   3.972  -2.196
  227    HB3  ALA  34           3HB      ALA  34  12.984   2.296  -1.646
  228    H    TYR  35           H        TYR  35   9.926   1.377  -1.322
  229    HA   TYR  35           HA       TYR  35   9.293   1.792  -4.110
  230    HB2  TYR  35           2HB      TYR  35   8.558  -0.470  -2.238
  231    HB3  TYR  35           1HB      TYR  35   8.243  -0.446  -3.970
  232    HD1  TYR  35           2HD      TYR  35  10.194  -0.422  -5.563
  233    HD2  TYR  35           1HD      TYR  35  10.698  -1.120  -1.390
  234    HE1  TYR  35           2HE      TYR  35  12.418  -1.352  -5.987
  235    HE2  TYR  35           1HE      TYR  35  12.922  -2.040  -1.811
  236    HH   TYR  35           HH       TYR  35  14.515  -1.663  -4.756
  237    H    GLY  36           H        GLY  36   8.000   2.695  -1.178
  238    HA2  GLY  36           2HA      GLY  36   6.124   3.859  -0.672
  239    HA3  GLY  36           1HA      GLY  36   5.710   3.839  -2.378
  240    H    GLY  37           H        GLY  37   3.782   3.035  -2.664
  241    HA2  GLY  37           2HA      GLY  37   2.975   0.499  -1.856
  242    HA3  GLY  37           1HA      GLY  37   2.251   1.737  -0.817
  243    H    ALA  38           H        ALA  38   0.739   0.174  -2.594
  244    HA   ALA  38           HA       ALA  38  -0.188   2.303  -4.344
  245    HB1  ALA  38           1HB      ALA  38   0.315  -0.508  -5.321
  246    HB2  ALA  38           2HB      ALA  38   1.287   0.911  -5.713
  247    HB3  ALA  38           3HB      ALA  38  -0.389   0.819  -6.249
  248    H    CYS  39           H        CYS  39  -2.361   2.063  -5.002
  249    HA   CYS  39           HA       CYS  39  -4.018   0.822  -3.050
  250    HB2  CYS  39           2HB      CYS  39  -4.728   2.089  -5.709
  251    HB3  CYS  39           1HB      CYS  39  -5.878   1.669  -4.447
  252    H    HIS  40           H        HIS  40  -4.425  -1.245  -3.040
  253    HA   HIS  40           HA       HIS  40  -4.389  -2.722  -5.572
  254    HB2  HIS  40           2HB      HIS  40  -2.230  -2.942  -4.369
  255    HB3  HIS  40           1HB      HIS  40  -3.079  -3.480  -2.941
  256    HD1  HIS  40           1HD      HIS  40  -1.097  -5.426  -3.464
  257    HD2  HIS  40           2HD      HIS  40  -4.527  -5.419  -5.832
  258    HE1  HIS  40           1HE      HIS  40  -1.261  -7.724  -4.469
  259    H    TYR  41           H        TYR  41  -6.187  -3.886  -5.838
  260    HA   TYR  41           HA       TYR  41  -7.955  -4.279  -3.587
  261    HB2  TYR  41           2HB      TYR  41  -8.780  -3.795  -6.029
  262    HB3  TYR  41           1HB      TYR  41  -8.416  -5.493  -6.305
  263    HD1  TYR  41           1HD      TYR  41  -9.346  -7.037  -4.148
  264    HD2  TYR  41           2HD      TYR  41 -11.043  -3.414  -5.619
  265    HE1  TYR  41           1HE      TYR  41 -11.460  -7.645  -3.146
  266    HE2  TYR  41           2HE      TYR  41 -13.180  -4.019  -4.619
  267    HH   TYR  41           HH       TYR  41 -13.493  -6.443  -2.319
  268    H    GLN  42           H        GLN  42  -6.601  -5.561  -2.409
  269    HA   GLN  42           HA       GLN  42  -6.161  -8.207  -3.548
  270    HB2  GLN  42           2HB      GLN  42  -4.189  -7.181  -2.537
  271    HB3  GLN  42           1HB      GLN  42  -5.044  -7.043  -1.003
  272    HG2  GLN  42           2HG      GLN  42  -5.232  -9.391  -0.821
  273    HG3  GLN  42           1HG      GLN  42  -4.541  -9.653  -2.403
  274   HE21  GLN  42          1HE2      GLN  42  -2.508  -7.446  -1.783
  275   HE22  GLN  42          2HE2      GLN  42  -1.409  -8.239  -0.706
  276    H    PHE  43           H        PHE  43  -6.942  -7.012  -0.512
  277    HA   PHE  43           HA       PHE  43  -9.317  -8.536  -0.349
  278    HB2  PHE  43           2HB      PHE  43  -7.532 -10.227   0.033
  279    HB3  PHE  43           1HB      PHE  43  -7.003  -9.335   1.452
  280    HD1  PHE  43           1HD      PHE  43  -8.558  -9.222   3.457
  281    HD2  PHE  43           2HD      PHE  43  -9.300 -11.751   0.114
  282    HE1  PHE  43           1HE      PHE  43 -10.121 -10.550   4.806
  283    HE2  PHE  43           2HE      PHE  43 -10.864 -13.081   1.466
  284    HZ   PHE  43           HZ       PHE  43 -11.277 -12.479   3.809
  285    HA   PRO  44           HA       PRO  44 -10.973  -8.397   0.615
  286    HB2  PRO  44           2HB      PRO  44 -12.987  -7.031   2.045
  287    HB3  PRO  44           1HB      PRO  44 -12.265  -8.575   2.493
  288    HG2  PRO  44           2HG      PRO  44 -12.026  -6.188   3.943
  289    HG3  PRO  44           1HG      PRO  44 -11.009  -7.622   4.136
  290    HD2  PRO  44           2HD      PRO  44 -10.479  -5.115   2.587
  291    HD3  PRO  44           1HD      PRO  44  -9.361  -6.099   3.559
  292    H    SER  45           H        SER  45 -10.084  -5.273   0.409
  293    HA   SER  45           HA       SER  45 -11.949  -4.526  -1.705
  294    HB2  SER  45           2HB      SER  45 -11.231  -2.712   0.624
  295    HB3  SER  45           1HB      SER  45 -12.392  -2.390  -0.659
  296    HG   SER  45           HG       SER  45 -13.727  -3.952   0.165
  297    H    VAL  46           H        VAL  46 -10.915  -2.254  -2.572
  298    HA   VAL  46           HA       VAL  46  -8.063  -2.698  -2.685
  299    HB   VAL  46           HB       VAL  46  -8.952  -2.165  -4.864
  300   HG11  VAL  46          1HG1      VAL  46 -10.029  -0.054  -5.358
  301   HG12  VAL  46          2HG1      VAL  46 -10.105   0.270  -3.608
  302   HG13  VAL  46          3HG1      VAL  46 -10.933  -1.144  -4.307
  303   HG21  VAL  46          3HG2      VAL  46  -7.709  -0.164  -5.510
  304   HG22  VAL  46          1HG2      VAL  46  -6.771  -1.206  -4.440
  305   HG23  VAL  46          2HG2      VAL  46  -7.524   0.257  -3.808
  306    H    LYS  47           H        LYS  47  -6.898  -2.193  -1.304
  307    HA   LYS  47           HA       LYS  47  -7.421   0.229   0.267
  308    HB2  LYS  47           2HB      LYS  47  -7.973  -1.916   1.458
  309    HB3  LYS  47           1HB      LYS  47  -6.317  -2.433   1.223
  310    HG2  LYS  47           2HG      LYS  47  -5.516  -0.708   2.702
  311    HG3  LYS  47           1HG      LYS  47  -7.130  -0.012   2.827
  312    HD2  LYS  47           2HD      LYS  47  -6.599  -1.338   4.812
  313    HD3  LYS  47           1HD      LYS  47  -7.930  -2.065   3.918
  314    HE2  LYS  47           2HE      LYS  47  -6.378  -3.697   2.940
  315    HE3  LYS  47           1HE      LYS  47  -5.040  -2.949   3.809
  316    HZ1  LYS  47           3HZ      LYS  47  -6.139  -3.562   5.896
  317    HZ2  LYS  47           1HZ      LYS  47  -5.850  -4.933   4.968
  318    HZ3  LYS  47           2HZ      LYS  47  -7.390  -4.285   5.061
  319    H    CYS  48           H        CYS  48  -5.253   0.840   1.408
  320    HA   CYS  48           HA       CYS  48  -3.290   1.036  -0.671
  321    HB2  CYS  48           2HB      CYS  48  -3.892   2.960   0.766
  322    HB3  CYS  48           1HB      CYS  48  -3.315   2.088   2.172
  323    H    PHE  49           H        PHE  49  -1.634  -0.305  -0.877
  324    HA   PHE  49           HA       PHE  49  -0.824  -1.885   1.444
  325    HB2  PHE  49           2HB      PHE  49  -1.150  -2.805  -1.417
  326    HB3  PHE  49           1HB      PHE  49  -0.169  -3.669  -0.250
  327    HD1  PHE  49           1HD      PHE  49  -3.631  -2.623  -1.053
  328    HD2  PHE  49           2HD      PHE  49  -1.168  -5.131   1.335
  329    HE1  PHE  49           1HE      PHE  49  -5.612  -3.887  -0.344
  330    HE2  PHE  49           2HE      PHE  49  -3.148  -6.400   2.056
  331    HZ   PHE  49           HZ       PHE  49  -5.374  -5.783   1.224
  332    H    CYS  50           H        CYS  50   1.085  -1.349   2.013
  333    HA   CYS  50           HA       CYS  50   2.903   0.163   0.409
  334    HB2  CYS  50           2HB      CYS  50   3.382  -1.236   3.048
  335    HB3  CYS  50           1HB      CYS  50   4.346   0.056   2.348
  336    H    LYS  51           H        LYS  51   4.902  -0.556  -0.386
  337    HA   LYS  51           HA       LYS  51   4.959  -3.448  -0.858
  338    HB2  LYS  51           2HB      LYS  51   6.306  -1.204  -2.348
  339    HB3  LYS  51           1HB      LYS  51   6.413  -2.915  -2.739
  340    HG2  LYS  51           2HG      LYS  51   4.079  -2.999  -3.278
  341    HG3  LYS  51           1HG      LYS  51   3.858  -1.331  -2.736
  342    HD2  LYS  51           2HD      LYS  51   5.405  -0.573  -4.462
  343    HD3  LYS  51           1HD      LYS  51   5.610  -2.235  -5.009
  344    HE2  LYS  51           2HE      LYS  51   3.282  -2.356  -5.637
  345    HE3  LYS  51           1HE      LYS  51   2.989  -0.746  -4.980
  346    HZ1  LYS  51           3HZ      LYS  51   4.796  -1.374  -7.246
  347    HZ2  LYS  51           1HZ      LYS  51   4.508   0.160  -6.618
  348    HZ3  LYS  51           2HZ      LYS  51   3.272  -0.688  -7.388
  349    H    ARG  52           H        ARG  52   6.204  -4.429   0.559
  350    HA   ARG  52           HA       ARG  52   8.608  -3.074   1.491
  351    HB2  ARG  52           2HB      ARG  52   8.848  -4.846   3.157
  352    HB3  ARG  52           1HB      ARG  52   7.219  -4.197   3.216
  353    HG2  ARG  52           2HG      ARG  52   6.381  -6.110   2.003
  354    HG3  ARG  52           1HG      ARG  52   8.015  -6.748   1.831
  355    HD2  ARG  52           2HD      ARG  52   6.539  -6.326   4.434
  356    HD3  ARG  52           1HD      ARG  52   6.773  -7.874   3.630
  357    HE   ARG  52           HE       ARG  52   9.264  -6.614   4.100
  358   HH11  ARG  52          1HH1      ARG  52   6.750  -8.460   5.769
  359   HH12  ARG  52          2HH1      ARG  52   7.770  -8.913   7.060
  360   HH21  ARG  52          1HH2      ARG  52  10.618  -7.272   5.834
  361   HH22  ARG  52          2HH2      ARG  52   9.984  -8.232   7.103
  362    H    GLN  53           H        GLN  53  10.659  -4.006   1.365
  363    HA   GLN  53           HA       GLN  53  11.161  -5.331  -1.124
  364    HB2  GLN  53           2HB      GLN  53  12.618  -3.558  -0.159
  365    HB3  GLN  53           1HB      GLN  53  13.012  -4.649   1.158
  366    HG2  GLN  53           2HG      GLN  53  13.851  -6.250  -0.618
  367    HG3  GLN  53           1HG      GLN  53  13.737  -4.877  -1.724
  368   HE21  GLN  53          1HE2      GLN  53  15.342  -6.199   1.019
  369   HE22  GLN  53          2HE2      GLN  53  16.682  -5.113   1.016
  370    H    CYS  54           H        CYS  54  11.107  -7.543  -1.315
  371    HA   CYS  54           HA       CYS  54  11.822  -9.071   1.062
  372    HB2  CYS  54           2HB      CYS  54   9.853  -9.804  -1.125
  373    HB3  CYS  54           1HB      CYS  54  10.326 -10.850   0.211
  Start of MODEL   16
    1    H1   ASP   1           1HT      ASP   1  13.437  -5.227 -12.462
    2    H2   ASP   1           2HT      ASP   1  13.383  -3.590 -12.045
    3    H3   ASP   1           3HT      ASP   1  12.603  -4.752 -11.087
    4    HA   ASP   1           HA       ASP   1  15.499  -4.653 -11.531
    5    HB2  ASP   1           2HB      ASP   1  13.830  -3.695  -9.213
    6    HB3  ASP   1           1HB      ASP   1  15.533  -4.103  -9.043
    7    H    GLY   2           H        GLY   2  16.589  -5.905  -9.797
    8    HA2  GLY   2           2HA      GLY   2  15.515  -8.559  -9.873
    9    HA3  GLY   2           1HA      GLY   2  17.079  -8.061  -9.257
   10    H    VAL   3           H        VAL   3  15.815  -5.980  -7.546
   11    HA   VAL   3           HA       VAL   3  15.569  -7.486  -5.211
   12    HB   VAL   3           HB       VAL   3  14.816  -5.408  -4.107
   13   HG11  VAL   3          1HG1      VAL   3  17.132  -5.014  -5.984
   14   HG12  VAL   3          2HG1      VAL   3  17.185  -5.714  -4.361
   15   HG13  VAL   3          3HG1      VAL   3  16.778  -4.011  -4.580
   16   HG21  VAL   3          3HG2      VAL   3  14.640  -3.297  -5.366
   17   HG22  VAL   3          1HG2      VAL   3  13.412  -4.463  -5.860
   18   HG23  VAL   3          2HG2      VAL   3  14.830  -4.191  -6.875
   19    H    LYS   4           H        LYS   4  13.920  -8.432  -4.241
   20    HA   LYS   4           HA       LYS   4  11.340  -8.379  -5.580
   21    HB2  LYS   4           2HB      LYS   4  12.192  -9.991  -3.166
   22    HB3  LYS   4           1HB      LYS   4  10.756 -10.239  -4.144
   23    HG2  LYS   4           2HG      LYS   4  13.603 -10.654  -5.013
   24    HG3  LYS   4           1HG      LYS   4  12.425 -11.916  -4.645
   25    HD2  LYS   4           2HD      LYS   4  11.051 -11.138  -6.523
   26    HD3  LYS   4           1HD      LYS   4  12.253  -9.896  -6.881
   27    HE2  LYS   4           2HE      LYS   4  12.675 -12.880  -6.963
   28    HE3  LYS   4           1HE      LYS   4  12.559 -11.802  -8.349
   29    HZ1  LYS   4           3HZ      LYS   4  14.693 -11.841  -6.297
   30    HZ2  LYS   4           1HZ      LYS   4  14.591 -10.667  -7.515
   31    HZ3  LYS   4           2HZ      LYS   4  14.836 -12.306  -7.889
   32    H    LEU   5           H        LEU   5   9.518  -7.551  -4.611
   33    HA   LEU   5           HA       LEU   5  10.023  -6.108  -2.118
   34    HB2  LEU   5           2HB      LEU   5   8.154  -5.198  -4.308
   35    HB3  LEU   5           1HB      LEU   5   8.655  -4.360  -2.854
   36    HG   LEU   5           HG       LEU   5  10.512  -5.037  -5.091
   37   HD11  LEU   5          1HD1      LEU   5   8.852  -3.448  -5.881
   38   HD12  LEU   5          2HD1      LEU   5  10.404  -2.635  -5.670
   39   HD13  LEU   5          3HD1      LEU   5   9.129  -2.428  -4.470
   40   HD21  LEU   5          3HD2      LEU   5  10.828  -3.288  -2.658
   41   HD22  LEU   5          1HD2      LEU   5  11.971  -3.349  -4.006
   42   HD23  LEU   5          2HD2      LEU   5  11.679  -4.790  -3.047
   43    H    CYS   6           H        CYS   6   8.504  -6.274  -0.662
   44    HA   CYS   6           HA       CYS   6   6.354  -8.200  -1.200
   45    HB2  CYS   6           2HB      CYS   6   7.358  -7.178   1.464
   46    HB3  CYS   6           1HB      CYS   6   6.166  -8.447   1.211
   47    H    ASP   7           H        ASP   7   4.397  -7.483  -1.483
   48    HA   ASP   7           HA       ASP   7   3.683  -4.715  -1.053
   49    HB2  ASP   7           2HB      ASP   7   2.044  -7.081  -2.037
   50    HB3  ASP   7           1HB      ASP   7   1.512  -5.417  -2.089
   51    H    VAL   8           H        VAL   8   3.454  -4.259   1.044
   52    HA   VAL   8           HA       VAL   8   2.165  -6.153   2.838
   53    HB   VAL   8           HB       VAL   8   3.609  -3.555   3.435
   54   HG11  VAL   8          1HG1      VAL   8   2.701  -5.743   5.298
   55   HG12  VAL   8          2HG1      VAL   8   2.018  -4.119   5.185
   56   HG13  VAL   8          3HG1      VAL   8   3.678  -4.346   5.747
   57   HG21  VAL   8          3HG2      VAL   8   4.539  -6.400   3.673
   58   HG22  VAL   8          1HG2      VAL   8   5.444  -4.987   4.209
   59   HG23  VAL   8          2HG2      VAL   8   5.103  -5.218   2.491
   60    HA   PRO   9           HA       PRO   9  -1.615  -3.758   2.404
   61    HB2  PRO   9           2HB      PRO   9  -2.533  -5.258   4.749
   62    HB3  PRO   9           1HB      PRO   9  -3.190  -5.240   3.114
   63    HG2  PRO   9           2HG      PRO   9  -1.868  -7.353   4.165
   64    HG3  PRO   9           1HG      PRO   9  -1.883  -6.984   2.433
   65    HD2  PRO   9           2HD      PRO   9   0.259  -6.568   4.451
   66    HD3  PRO   9           1HD      PRO   9   0.367  -6.958   2.721
   67    H    SER  10           H        SER  10  -1.630  -1.778   3.132
   68    HA   SER  10           HA       SER  10  -0.531  -0.864   5.542
   69    HB2  SER  10           2HB      SER  10  -0.818   0.573   3.572
   70    HB3  SER  10           1HB      SER  10  -2.569   0.426   3.708
   71    HG   SER  10           HG       SER  10  -0.767   1.625   5.511
   72    H    GLY  11           H        GLY  11  -1.318  -1.003   7.544
   73    HA2  GLY  11           2HA      GLY  11  -3.971  -1.989   8.013
   74    HA3  GLY  11           1HA      GLY  11  -2.763  -1.584   9.228
   75    H    THR  12           H        THR  12  -2.240   1.026   8.290
   76    HA   THR  12           HA       THR  12  -4.393   2.311   9.589
   77    HB   THR  12           HB       THR  12  -2.227   3.250  10.018
   78    HG1  THR  12           1HG      THR  12  -3.995   4.738   9.883
   79   HG21  THR  12          3HG2      THR  12  -2.040   3.831   7.059
   80   HG22  THR  12          1HG2      THR  12  -1.073   2.652   7.944
   81   HG23  THR  12          2HG2      THR  12  -0.885   4.380   8.270
   82    H    TRP  13           H        TRP  13  -3.438   2.058   6.167
   83    HA   TRP  13           HA       TRP  13  -5.414   3.976   5.405
   84    HB2  TRP  13           2HB      TRP  13  -3.403   3.425   3.959
   85    HB3  TRP  13           1HB      TRP  13  -4.188   1.892   3.582
   86    HD1  TRP  13           HD       TRP  13  -6.615   2.100   2.213
   87    HE1  TRP  13           1HE      TRP  13  -7.389   3.881   0.514
   88    HE3  TRP  13           3HE      TRP  13  -3.217   5.787   3.253
   89    HZ2  TRP  13           2HZ      TRP  13  -6.634   6.462  -0.308
   90    HZ3  TRP  13           3HZ      TRP  13  -3.308   7.867   1.955
   91    HH2  TRP  13           HH       TRP  13  -4.990   8.192   0.206
   92    H    SER  14           H        SER  14  -7.462   3.647   5.494
   93    HA   SER  14           HA       SER  14  -8.449   0.965   5.033
   94    HB2  SER  14           2HB      SER  14 -10.113   1.471   6.927
   95    HB3  SER  14           1HB      SER  14  -8.452   1.084   7.379
   96    HG   SER  14           HG       SER  14  -8.186   3.501   7.259
   97    H    GLY  15           H        GLY  15 -10.524   0.862   4.108
   98    HA2  GLY  15           2HA      GLY  15 -12.601   1.900   3.523
   99    HA3  GLY  15           1HA      GLY  15 -11.753   3.433   3.427
  100    H    HIS  16           H        HIS  16 -11.090   4.095   1.530
  101    HA   HIS  16           HA       HIS  16 -10.970   2.174  -0.666
  102    HB2  HIS  16           2HB      HIS  16 -13.172   3.263  -0.758
  103    HB3  HIS  16           1HB      HIS  16 -12.417   4.844  -0.666
  104    HD1  HIS  16           1HD      HIS  16 -13.023   1.994  -3.083
  105    HD2  HIS  16           2HD      HIS  16 -11.514   5.870  -3.053
  106    HE1  HIS  16           1HE      HIS  16 -12.677   2.651  -5.509
  107    H    CYS  17           H        CYS  17  -9.633   2.922  -2.432
  108    HA   CYS  17           HA       CYS  17  -7.923   5.187  -1.832
  109    HB2  CYS  17           2HB      CYS  17  -6.682   3.215  -1.112
  110    HB3  CYS  17           1HB      CYS  17  -6.990   2.443  -2.665
  111    H    GLY  18           H        GLY  18  -8.467   6.479  -3.446
  112    HA2  GLY  18           2HA      GLY  18  -8.887   5.326  -6.097
  113    HA3  GLY  18           1HA      GLY  18  -9.296   6.970  -5.620
  114    H    SER  19           H        SER  19  -6.655   7.255  -4.271
  115    HA   SER  19           HA       SER  19  -4.993   7.552  -6.659
  116    HB2  SER  19           2HB      SER  19  -5.161   9.336  -4.228
  117    HB3  SER  19           1HB      SER  19  -4.071   9.585  -5.585
  118    HG   SER  19           HG       SER  19  -6.797   9.282  -6.075
  119    H    SER  20           H        SER  20  -3.689   5.778  -6.473
  120    HA   SER  20           HA       SER  20  -2.837   4.633  -4.107
  121    HB2  SER  20           2HB      SER  20  -1.214   3.470  -5.660
  122    HB3  SER  20           1HB      SER  20  -2.929   3.331  -6.061
  123    HG   SER  20           HG       SER  20  -0.878   4.621  -7.341
  124    H    SER  21           H        SER  21  -1.457   7.316  -5.908
  125    HA   SER  21           HA       SER  21   1.103   7.031  -4.730
  126    HB2  SER  21           2HB      SER  21  -0.122   9.473  -5.984
  127    HB3  SER  21           1HB      SER  21   1.596   9.196  -5.686
  128    HG   SER  21           HG       SER  21   0.792   7.101  -6.931
  129    H    LYS  22           H        LYS  22  -1.859   8.152  -3.514
  130    HA   LYS  22           HA       LYS  22  -0.750   9.946  -1.571
  131    HB2  LYS  22           2HB      LYS  22  -3.478   8.668  -1.792
  132    HB3  LYS  22           1HB      LYS  22  -3.039   9.771  -0.502
  133    HG2  LYS  22           2HG      LYS  22  -3.036  10.445  -3.443
  134    HG3  LYS  22           1HG      LYS  22  -4.323  10.850  -2.312
  135    HD2  LYS  22           2HD      LYS  22  -1.456  11.815  -2.116
  136    HD3  LYS  22           1HD      LYS  22  -2.801  12.747  -2.759
  137    HE2  LYS  22           2HE      LYS  22  -3.926  12.624  -0.564
  138    HE3  LYS  22           1HE      LYS  22  -2.566  11.710   0.073
  139    HZ1  LYS  22           3HZ      LYS  22  -2.418  14.486  -0.978
  140    HZ2  LYS  22           1HZ      LYS  22  -1.136  13.626  -0.302
  141    HZ3  LYS  22           2HZ      LYS  22  -2.445  14.068   0.646
  142    H    CYS  23           H        CYS  23  -1.827   6.548  -1.604
  143    HA   CYS  23           HA       CYS  23  -1.187   6.244   1.168
  144    HB2  CYS  23           2HB      CYS  23  -1.643   3.905   0.885
  145    HB3  CYS  23           1HB      CYS  23  -2.838   4.785  -0.058
  146    H    SER  24           H        SER  24   0.420   5.791  -1.887
  147    HA   SER  24           HA       SER  24   2.767   4.559  -1.070
  148    HB2  SER  24           2HB      SER  24   2.075   5.071  -3.445
  149    HB3  SER  24           1HB      SER  24   2.476   6.760  -3.099
  150    HG   SER  24           HG       SER  24   4.187   5.823  -4.112
  151    H    GLN  25           H        GLN  25   1.856   8.012  -1.188
  152    HA   GLN  25           HA       GLN  25   4.239   9.016  -0.112
  153    HB2  GLN  25           2HB      GLN  25   2.590  10.458  -1.243
  154    HB3  GLN  25           1HB      GLN  25   1.450  10.179   0.062
  155    HG2  GLN  25           2HG      GLN  25   2.521  12.355   0.286
  156    HG3  GLN  25           1HG      GLN  25   2.946  11.299   1.631
  157   HE21  GLN  25          1HE2      GLN  25   5.052  10.526   1.789
  158   HE22  GLN  25          2HE2      GLN  25   6.365  11.206   0.908
  159    H    GLN  26           H        GLN  26   1.167   8.123   1.390
  160    HA   GLN  26           HA       GLN  26   1.649   8.647   4.041
  161    HB2  GLN  26           2HB      GLN  26  -0.488   7.798   3.279
  162    HB3  GLN  26           1HB      GLN  26   0.252   6.277   2.802
  163    HG2  GLN  26           2HG      GLN  26   0.860   5.946   5.220
  164    HG3  GLN  26           1HG      GLN  26  -0.182   7.319   5.581
  165   HE21  GLN  26          1HE2      GLN  26  -0.035   4.053   4.463
  166   HE22  GLN  26          2HE2      GLN  26  -1.697   3.688   4.654
  167    H    CYS  27           H        CYS  27   2.361   5.595   2.350
  168    HA   CYS  27           HA       CYS  27   3.673   4.496   4.562
  169    HB2  CYS  27           2HB      CYS  27   3.622   3.646   1.674
  170    HB3  CYS  27           1HB      CYS  27   4.472   2.750   2.933
  171    H    LYS  28           H        LYS  28   5.010   6.151   1.682
  172    HA   LYS  28           HA       LYS  28   7.699   5.659   2.439
  173    HB2  LYS  28           2HB      LYS  28   6.546   7.872   0.757
  174    HB3  LYS  28           1HB      LYS  28   8.267   7.573   0.978
  175    HG2  LYS  28           2HG      LYS  28   8.048   5.399  -0.091
  176    HG3  LYS  28           1HG      LYS  28   6.313   5.658  -0.272
  177    HD2  LYS  28           2HD      LYS  28   8.436   7.427  -1.501
  178    HD3  LYS  28           1HD      LYS  28   7.631   6.107  -2.350
  179    HE2  LYS  28           2HE      LYS  28   5.473   7.213  -2.038
  180    HE3  LYS  28           1HE      LYS  28   6.254   8.511  -1.143
  181    HZ1  LYS  28           3HZ      LYS  28   6.848   7.842  -3.961
  182    HZ2  LYS  28           1HZ      LYS  28   7.422   9.171  -3.092
  183    HZ3  LYS  28           2HZ      LYS  28   5.785   9.063  -3.461
  184    H    ASP  29           H        ASP  29   5.382   7.941   3.560
  185    HA   ASP  29           HA       ASP  29   7.396   9.681   4.716
  186    HB2  ASP  29           2HB      ASP  29   5.342  10.657   3.749
  187    HB3  ASP  29           1HB      ASP  29   4.389   9.816   4.965
  188    H    ARG  30           H        ARG  30   4.635   7.821   5.959
  189    HA   ARG  30           HA       ARG  30   5.390   8.223   8.696
  190    HB2  ARG  30           2HB      ARG  30   3.503   6.129   7.624
  191    HB3  ARG  30           1HB      ARG  30   3.619   6.732   9.262
  192    HG2  ARG  30           2HG      ARG  30   2.755   8.895   8.521
  193    HG3  ARG  30           1HG      ARG  30   2.622   8.265   6.869
  194    HD2  ARG  30           2HD      ARG  30   1.166   6.437   7.800
  195    HD3  ARG  30           1HD      ARG  30   1.177   7.301   9.333
  196    HE   ARG  30           HE       ARG  30   0.366   8.917   7.135
  197   HH11  ARG  30          1HH1      ARG  30  -0.817   6.675   9.635
  198   HH12  ARG  30          2HH1      ARG  30  -2.440   7.091   9.448
  199   HH21  ARG  30          1HH2      ARG  30  -1.877   9.498   6.888
  200   HH22  ARG  30          2HH2      ARG  30  -3.072   8.744   7.854
  201    H    GLU  31           H        GLU  31   5.792   5.644   6.306
  202    HA   GLU  31           HA       GLU  31   6.921   3.914   8.378
  203    HB2  GLU  31           2HB      GLU  31   5.605   3.337   5.751
  204    HB3  GLU  31           1HB      GLU  31   6.347   2.106   6.759
  205    HG2  GLU  31           2HG      GLU  31   4.023   3.846   7.546
  206    HG3  GLU  31           1HG      GLU  31   3.895   2.202   6.925
  207    H    HIS  32           H        HIS  32   8.253   2.182   6.928
  208    HA   HIS  32           HA       HIS  32  10.369   3.765   5.688
  209    HB2  HIS  32           2HB      HIS  32  10.384   1.031   6.966
  210    HB3  HIS  32           1HB      HIS  32  11.770   1.719   6.131
  211    HD1  HIS  32           1HD      HIS  32  13.161   3.460   7.421
  212    HD2  HIS  32           2HD      HIS  32   9.695   2.303   9.390
  213    HE1  HIS  32           1HE      HIS  32  13.317   4.437   9.735
  214    H    PHE  33           H        PHE  33   7.935   2.938   4.231
  215    HA   PHE  33           HA       PHE  33   8.945   0.826   2.493
  216    HB2  PHE  33           2HB      PHE  33   6.269   2.219   2.496
  217    HB3  PHE  33           1HB      PHE  33   6.723   0.952   1.370
  218    HD1  PHE  33           1HD      PHE  33   7.197  -1.329   2.260
  219    HD2  PHE  33           2HD      PHE  33   5.412   1.692   4.627
  220    HE1  PHE  33           1HE      PHE  33   6.373  -3.036   3.804
  221    HE2  PHE  33           2HE      PHE  33   4.584  -0.008   6.192
  222    HZ   PHE  33           HZ       PHE  33   5.059  -2.378   5.787
  223    H    ALA  34           H        ALA  34  10.643   2.122   1.766
  224    HA   ALA  34           HA       ALA  34  10.329   4.625   0.510
  225    HB1  ALA  34           1HB      ALA  34  12.540   2.626   0.119
  226    HB2  ALA  34           2HB      ALA  34  12.451   3.811   1.420
  227    HB3  ALA  34           3HB      ALA  34  12.604   4.349  -0.253
  228    H    TYR  35           H        TYR  35   9.681   1.496  -0.615
  229    HA   TYR  35           HA       TYR  35   9.991   2.217  -3.385
  230    HB2  TYR  35           2HB      TYR  35   9.117  -0.359  -2.069
  231    HB3  TYR  35           1HB      TYR  35   9.154  -0.131  -3.817
  232    HD1  TYR  35           1HD      TYR  35  11.240  -0.401  -0.777
  233    HD2  TYR  35           2HD      TYR  35  11.224  -0.061  -5.015
  234    HE1  TYR  35           1HE      TYR  35  13.627  -0.875  -0.818
  235    HE2  TYR  35           2HE      TYR  35  13.627  -0.576  -5.062
  236    HH   TYR  35           HH       TYR  35  15.528  -0.326  -3.501
  237    H    GLY  36           H        GLY  36   7.705   2.835  -1.129
  238    HA2  GLY  36           2HA      GLY  36   5.738   3.981  -1.490
  239    HA3  GLY  36           1HA      GLY  36   5.850   3.594  -3.201
  240    H    GLY  37           H        GLY  37   3.589   3.103  -3.129
  241    HA2  GLY  37           2HA      GLY  37   3.137   0.347  -2.521
  242    HA3  GLY  37           1HA      GLY  37   2.202   1.475  -1.531
  243    H    ALA  38           H        ALA  38   0.843  -0.212  -3.070
  244    HA   ALA  38           HA       ALA  38  -0.312   1.585  -5.032
  245    HB1  ALA  38           1HB      ALA  38   1.193   0.121  -6.311
  246    HB2  ALA  38           2HB      ALA  38  -0.498  -0.177  -6.710
  247    HB3  ALA  38           3HB      ALA  38   0.367  -1.295  -5.656
  248    H    CYS  39           H        CYS  39  -2.487   1.088  -5.458
  249    HA   CYS  39           HA       CYS  39  -3.698  -0.321  -3.207
  250    HB2  CYS  39           2HB      CYS  39  -4.826   1.841  -4.982
  251    HB3  CYS  39           1HB      CYS  39  -5.683   1.061  -3.652
  252    H    HIS  40           H        HIS  40  -5.098  -1.912  -3.475
  253    HA   HIS  40           HA       HIS  40  -6.076  -2.552  -6.129
  254    HB2  HIS  40           2HB      HIS  40  -3.844  -3.754  -5.694
  255    HB3  HIS  40           1HB      HIS  40  -4.658  -4.600  -4.390
  256    HD1  HIS  40           1HD      HIS  40  -3.831  -4.953  -7.870
  257    HD2  HIS  40           2HD      HIS  40  -6.980  -6.153  -5.447
  258    HE1  HIS  40           1HE      HIS  40  -4.979  -6.846  -9.092
  259    H    TYR  41           H        TYR  41  -8.086  -3.580  -5.939
  260    HA   TYR  41           HA       TYR  41  -9.299  -3.390  -3.369
  261    HB2  TYR  41           2HB      TYR  41 -10.656  -2.869  -5.316
  262    HB3  TYR  41           1HB      TYR  41 -10.397  -4.491  -5.954
  263    HD1  TYR  41           2HD      TYR  41 -11.877  -2.697  -3.046
  264    HD2  TYR  41           1HD      TYR  41 -11.859  -6.233  -5.401
  265    HE1  TYR  41           2HE      TYR  41 -13.833  -3.516  -1.823
  266    HE2  TYR  41           1HE      TYR  41 -13.802  -7.063  -4.200
  267    HH   TYR  41           HH       TYR  41 -14.940  -6.772  -2.158
  268    H    GLN  42           H        GLN  42  -9.614  -4.829  -1.927
  269    HA   GLN  42           HA       GLN  42  -9.451  -7.632  -2.591
  270    HB2  GLN  42           2HB      GLN  42  -7.261  -6.943  -1.639
  271    HB3  GLN  42           1HB      GLN  42  -8.098  -6.251  -0.255
  272    HG2  GLN  42           2HG      GLN  42  -8.863  -8.408   0.437
  273    HG3  GLN  42           1HG      GLN  42  -8.218  -9.156  -1.014
  274   HE21  GLN  42          1HE2      GLN  42  -6.940 -10.546   0.115
  275   HE22  GLN  42          2HE2      GLN  42  -5.540 -10.063   0.993
  276    H    PHE  43           H        PHE  43 -10.903  -8.753  -1.183
  277    HA   PHE  43           HA       PHE  43 -13.061  -7.179  -0.423
  278    HB2  PHE  43           2HB      PHE  43 -13.352  -9.536  -1.000
  279    HB3  PHE  43           1HB      PHE  43 -12.412 -10.023   0.407
  280    HD1  PHE  43           2HD      PHE  43 -15.548  -8.375  -0.651
  281    HD2  PHE  43           1HD      PHE  43 -13.439 -10.286   2.506
  282    HE1  PHE  43           2HE      PHE  43 -17.592  -8.399   0.696
  283    HE2  PHE  43           1HE      PHE  43 -15.483 -10.310   3.858
  284    HZ   PHE  43           HZ       PHE  43 -17.561  -9.366   2.956
  285    HA   PRO  44           HA       PRO  44 -14.415  -6.428   0.691
  286    HB2  PRO  44           2HB      PRO  44 -15.609  -5.061   2.570
  287    HB3  PRO  44           1HB      PRO  44 -15.407  -6.809   2.752
  288    HG2  PRO  44           2HG      PRO  44 -13.980  -4.593   4.132
  289    HG3  PRO  44           1HG      PRO  44 -14.343  -6.223   4.715
  290    HD2  PRO  44           2HD      PRO  44 -11.901  -5.267   3.515
  291    HD3  PRO  44           1HD      PRO  44 -12.262  -6.908   4.091
  292    H    SER  45           H        SER  45 -11.716  -4.627   1.091
  293    HA   SER  45           HA       SER  45 -12.953  -2.153   0.188
  294    HB2  SER  45           2HB      SER  45 -11.649  -0.880   1.946
  295    HB3  SER  45           1HB      SER  45 -13.015  -1.832   2.536
  296    HG   SER  45           HG       SER  45 -11.682  -2.914   3.723
  297    H    VAL  46           H        VAL  46 -11.322  -0.570  -0.619
  298    HA   VAL  46           HA       VAL  46  -9.282  -1.979  -2.070
  299    HB   VAL  46           HB       VAL  46  -9.772   1.019  -1.981
  300   HG11  VAL  46          1HG1      VAL  46  -7.514   0.377  -2.688
  301   HG12  VAL  46          2HG1      VAL  46  -8.432   1.108  -4.009
  302   HG13  VAL  46          3HG1      VAL  46  -8.199  -0.642  -3.955
  303   HG21  VAL  46          3HG2      VAL  46 -11.701  -0.227  -2.847
  304   HG22  VAL  46          1HG2      VAL  46 -10.651  -1.025  -4.015
  305   HG23  VAL  46          2HG2      VAL  46 -10.916   0.717  -4.117
  306    H    LYS  47           H        LYS  47  -7.421  -2.461  -1.308
  307    HA   LYS  47           HA       LYS  47  -6.505  -1.042   1.062
  308    HB2  LYS  47           2HB      LYS  47  -7.060  -3.437   1.318
  309    HB3  LYS  47           1HB      LYS  47  -5.898  -3.829   0.072
  310    HG2  LYS  47           2HG      LYS  47  -5.008  -4.315   2.270
  311    HG3  LYS  47           1HG      LYS  47  -4.081  -3.033   1.494
  312    HD2  LYS  47           2HD      LYS  47  -4.459  -2.531   3.854
  313    HD3  LYS  47           1HD      LYS  47  -5.284  -1.360   2.833
  314    HE2  LYS  47           2HE      LYS  47  -7.405  -2.507   3.201
  315    HE3  LYS  47           1HE      LYS  47  -6.587  -3.751   4.148
  316    HZ1  LYS  47           3HZ      LYS  47  -6.681  -0.865   4.880
  317    HZ2  LYS  47           1HZ      LYS  47  -6.021  -2.128   5.785
  318    HZ3  LYS  47           2HZ      LYS  47  -7.685  -2.064   5.510
  319    H    CYS  48           H        CYS  48  -4.432  -0.269   1.134
  320    HA   CYS  48           HA       CYS  48  -2.987  -0.275  -1.384
  321    HB2  CYS  48           2HB      CYS  48  -3.306   1.923  -0.306
  322    HB3  CYS  48           1HB      CYS  48  -2.471   1.327   1.129
  323    H    PHE  49           H        PHE  49  -1.259  -1.401  -1.639
  324    HA   PHE  49           HA       PHE  49  -0.166  -2.803   0.669
  325    HB2  PHE  49           2HB      PHE  49  -0.034  -3.611  -2.258
  326    HB3  PHE  49           1HB      PHE  49   0.566  -4.475  -0.838
  327    HD1  PHE  49           2HD      PHE  49  -2.590  -3.303  -2.428
  328    HD2  PHE  49           1HD      PHE  49  -0.743  -5.988   0.303
  329    HE1  PHE  49           2HE      PHE  49  -4.721  -4.508  -2.184
  330    HE2  PHE  49           1HE      PHE  49  -2.877  -7.206   0.539
  331    HZ   PHE  49           HZ       PHE  49  -4.857  -6.470  -0.701
  332    H    CYS  50           H        CYS  50   1.540  -1.789   1.288
  333    HA   CYS  50           HA       CYS  50   3.105  -0.208  -0.563
  334    HB2  CYS  50           2HB      CYS  50   3.226  -0.408   2.457
  335    HB3  CYS  50           1HB      CYS  50   4.096   0.765   1.464
  336    H    LYS  51           H        LYS  51   5.196  -0.582  -1.024
  337    HA   LYS  51           HA       LYS  51   5.943  -3.382  -0.763
  338    HB2  LYS  51           2HB      LYS  51   6.971  -1.218  -2.564
  339    HB3  LYS  51           1HB      LYS  51   7.493  -2.883  -2.588
  340    HG2  LYS  51           2HG      LYS  51   5.256  -3.628  -3.179
  341    HG3  LYS  51           1HG      LYS  51   4.683  -1.962  -3.104
  342    HD2  LYS  51           2HD      LYS  51   6.788  -3.001  -5.006
  343    HD3  LYS  51           1HD      LYS  51   5.101  -2.716  -5.422
  344    HE2  LYS  51           2HE      LYS  51   5.413  -0.323  -4.802
  345    HE3  LYS  51           1HE      LYS  51   7.120  -0.654  -4.531
  346    HZ1  LYS  51           3HZ      LYS  51   6.804   0.263  -6.693
  347    HZ2  LYS  51           1HZ      LYS  51   5.668  -0.908  -7.100
  348    HZ3  LYS  51           2HZ      LYS  51   7.289  -1.321  -6.878
  349    H    ARG  52           H        ARG  52   7.334  -3.959   0.650
  350    HA   ARG  52           HA       ARG  52   9.569  -2.153   1.224
  351    HB2  ARG  52           2HB      ARG  52  10.073  -3.551   3.207
  352    HB3  ARG  52           1HB      ARG  52   8.478  -2.833   3.292
  353    HG2  ARG  52           2HG      ARG  52   7.481  -4.974   2.664
  354    HG3  ARG  52           1HG      ARG  52   9.092  -5.691   2.552
  355    HD2  ARG  52           2HD      ARG  52   9.495  -5.235   4.897
  356    HD3  ARG  52           1HD      ARG  52   7.941  -4.424   5.035
  357    HE   ARG  52           HE       ARG  52   7.256  -6.907   4.211
  358   HH11  ARG  52          1HH1      ARG  52   9.350  -5.788   6.830
  359   HH12  ARG  52          2HH1      ARG  52   8.973  -7.067   7.879
  360   HH21  ARG  52          1HH2      ARG  52   6.697  -8.640   5.642
  361   HH22  ARG  52          2HH2      ARG  52   7.377  -8.740   7.199
  362    H    GLN  53           H        GLN  53  11.685  -3.004   1.125
  363    HA   GLN  53           HA       GLN  53  11.994  -4.787  -1.076
  364    HB2  GLN  53           2HB      GLN  53  13.466  -2.824  -0.591
  365    HB3  GLN  53           1HB      GLN  53  14.138  -3.730   0.761
  366    HG2  GLN  53           2HG      GLN  53  14.669  -5.542  -0.946
  367    HG3  GLN  53           1HG      GLN  53  14.268  -4.304  -2.143
  368   HE21  GLN  53          1HE2      GLN  53  15.385  -2.127  -0.648
  369   HE22  GLN  53          2HE2      GLN  53  17.085  -2.252  -0.737
  370    H    CYS  54           H        CYS  54  12.276  -6.915  -0.990
  371    HA   CYS  54           HA       CYS  54  13.015  -8.097   1.576
  372    HB2  CYS  54           2HB      CYS  54  11.092  -9.184  -0.498
  373    HB3  CYS  54           1HB      CYS  54  11.531  -9.966   1.016
  Start of MODEL   17
    1    H1   ASP   1           1HT      ASP   1  14.622  -1.806 -11.336
    2    H2   ASP   1           2HT      ASP   1  15.625  -0.885 -10.329
    3    H3   ASP   1           3HT      ASP   1  14.214  -1.597  -9.730
    4    HA   ASP   1           HA       ASP   1  16.492  -3.150 -10.796
    5    HB2  ASP   1           2HB      ASP   1  15.667  -2.640  -7.925
    6    HB3  ASP   1           1HB      ASP   1  16.872  -3.816  -8.424
    7    H    GLY   2           H        GLY   2  16.275  -5.423 -10.090
    8    HA2  GLY   2           2HA      GLY   2  13.541  -6.261 -10.547
    9    HA3  GLY   2           1HA      GLY   2  14.972  -7.284 -10.550
   10    H    VAL   3           H        VAL   3  14.461  -5.099  -7.968
   11    HA   VAL   3           HA       VAL   3  14.605  -7.020  -5.959
   12    HB   VAL   3           HB       VAL   3  15.171  -4.637  -5.577
   13   HG11  VAL   3          1HG1      VAL   3  13.449  -2.945  -5.225
   14   HG12  VAL   3          2HG1      VAL   3  12.227  -4.089  -5.779
   15   HG13  VAL   3          3HG1      VAL   3  13.487  -3.540  -6.886
   16   HG21  VAL   3          3HG2      VAL   3  14.692  -5.983  -3.615
   17   HG22  VAL   3          1HG2      VAL   3  12.972  -5.618  -3.757
   18   HG23  VAL   3          2HG2      VAL   3  14.116  -4.334  -3.370
   19    H    LYS   4           H        LYS   4  13.129  -8.161  -4.871
   20    HA   LYS   4           HA       LYS   4  10.465  -8.235  -5.992
   21    HB2  LYS   4           2HB      LYS   4  11.798 -10.066  -3.969
   22    HB3  LYS   4           1HB      LYS   4  10.163 -10.272  -4.567
   23    HG2  LYS   4           2HG      LYS   4  11.496 -11.814  -5.765
   24    HG3  LYS   4           1HG      LYS   4  11.170 -10.496  -6.885
   25    HD2  LYS   4           2HD      LYS   4  13.401  -9.543  -6.310
   26    HD3  LYS   4           1HD      LYS   4  13.713 -10.972  -5.326
   27    HE2  LYS   4           2HE      LYS   4  14.750 -11.247  -7.478
   28    HE3  LYS   4           1HE      LYS   4  13.394 -12.365  -7.336
   29    HZ1  LYS   4           3HZ      LYS   4  13.365  -9.768  -8.760
   30    HZ2  LYS   4           1HZ      LYS   4  12.058 -10.836  -8.674
   31    HZ3  LYS   4           2HZ      LYS   4  13.450 -11.289  -9.494
   32    H    LEU   5           H        LEU   5   8.891  -7.181  -5.136
   33    HA   LEU   5           HA       LEU   5   9.300  -6.215  -2.413
   34    HB2  LEU   5           2HB      LEU   5   7.430  -5.090  -4.481
   35    HB3  LEU   5           1HB      LEU   5   7.799  -4.461  -2.881
   36    HG   LEU   5           HG       LEU   5   9.784  -4.649  -5.122
   37   HD11  LEU   5          1HD1      LEU   5   9.580  -2.207  -5.241
   38   HD12  LEU   5          2HD1      LEU   5   8.309  -2.265  -4.020
   39   HD13  LEU   5          3HD1      LEU   5   8.044  -3.001  -5.600
   40   HD21  LEU   5          3HD2      LEU   5  10.836  -4.778  -2.952
   41   HD22  LEU   5          1HD2      LEU   5   9.950  -3.354  -2.404
   42   HD23  LEU   5          2HD2      LEU   5  11.159  -3.205  -3.679
   43    H    CYS   6           H        CYS   6   8.039  -6.750  -0.933
   44    HA   CYS   6           HA       CYS   6   5.784  -8.519  -1.530
   45    HB2  CYS   6           2HB      CYS   6   7.120  -7.945   1.122
   46    HB3  CYS   6           1HB      CYS   6   5.873  -9.151   0.820
   47    H    ASP   7           H        ASP   7   3.731  -8.084  -0.818
   48    HA   ASP   7           HA       ASP   7   3.243  -5.237  -0.396
   49    HB2  ASP   7           2HB      ASP   7   1.335  -7.422  -1.255
   50    HB3  ASP   7           1HB      ASP   7   0.911  -5.731  -1.108
   51    H    VAL   8           H        VAL   8   2.995  -4.578   1.493
   52    HA   VAL   8           HA       VAL   8   1.961  -6.287   3.633
   53    HB   VAL   8           HB       VAL   8   3.461  -3.648   3.725
   54   HG11  VAL   8          1HG1      VAL   8   3.745  -4.083   6.099
   55   HG12  VAL   8          2HG1      VAL   8   2.727  -5.520   5.958
   56   HG13  VAL   8          3HG1      VAL   8   2.039  -3.916   5.672
   57   HG21  VAL   8          3HG2      VAL   8   5.358  -4.964   4.527
   58   HG22  VAL   8          1HG2      VAL   8   4.861  -5.456   2.908
   59   HG23  VAL   8          2HG2      VAL   8   4.424  -6.442   4.304
   60    HA   PRO   9           HA       PRO   9  -1.909  -3.978   3.001
   61    HB2  PRO   9           2HB      PRO   9  -2.538  -5.169   5.637
   62    HB3  PRO   9           1HB      PRO   9  -3.456  -5.247   4.131
   63    HG2  PRO   9           2HG      PRO   9  -2.107  -7.369   5.042
   64    HG3  PRO   9           1HG      PRO   9  -2.209  -7.018   3.310
   65    HD2  PRO   9           2HD      PRO   9   0.058  -6.587   5.199
   66    HD3  PRO   9           1HD      PRO   9   0.074  -7.085   3.492
   67    H    SER  10           H        SER  10  -2.144  -1.883   3.495
   68    HA   SER  10           HA       SER  10  -0.752  -0.746   5.678
   69    HB2  SER  10           2HB      SER  10  -2.756   0.441   3.780
   70    HB3  SER  10           1HB      SER  10  -1.662   1.337   4.838
   71    HG   SER  10           HG       SER  10  -0.053  -0.158   3.618
   72    H    GLY  11           H        GLY  11  -1.473  -0.600   7.685
   73    HA2  GLY  11           2HA      GLY  11  -4.334  -0.762   8.244
   74    HA3  GLY  11           1HA      GLY  11  -3.024  -0.889   9.427
   75    H    THR  12           H        THR  12  -1.704   1.403   8.012
   76    HA   THR  12           HA       THR  12  -2.907   3.470   9.572
   77    HB   THR  12           HB       THR  12  -0.369   3.147   9.226
   78    HG1  THR  12           1HG      THR  12  -1.089   5.006  10.146
   79   HG21  THR  12          3HG2      THR  12  -0.984   4.556   6.627
   80   HG22  THR  12          1HG2      THR  12  -0.407   2.897   6.771
   81   HG23  THR  12          2HG2      THR  12   0.626   4.243   7.270
   82    H    TRP  13           H        TRP  13  -3.453   2.210   6.569
   83    HA   TRP  13           HA       TRP  13  -4.821   4.637   5.684
   84    HB2  TRP  13           2HB      TRP  13  -3.194   3.648   4.016
   85    HB3  TRP  13           1HB      TRP  13  -4.136   2.161   4.050
   86    HD1  TRP  13           HD       TRP  13  -6.725   2.367   3.039
   87    HE1  TRP  13           1HE      TRP  13  -7.642   3.895   1.185
   88    HE3  TRP  13           3HE      TRP  13  -2.947   5.829   2.853
   89    HZ2  TRP  13           2HZ      TRP  13  -6.865   6.218  -0.182
   90    HZ3  TRP  13           3HZ      TRP  13  -3.121   7.658   1.232
   91    HH2  TRP  13           HH       TRP  13  -5.030   7.845  -0.256
   92    H    SER  14           H        SER  14  -7.029   4.510   5.846
   93    HA   SER  14           HA       SER  14  -8.066   1.846   6.328
   94    HB2  SER  14           2HB      SER  14  -8.945   4.436   7.589
   95    HB3  SER  14           1HB      SER  14  -9.711   2.865   7.827
   96    HG   SER  14           HG       SER  14  -7.136   2.545   8.187
   97    H    GLY  15           H        GLY  15  -9.557   1.159   5.015
   98    HA2  GLY  15           2HA      GLY  15 -11.613   1.345   3.917
   99    HA3  GLY  15           1HA      GLY  15 -11.354   3.075   3.767
  100    H    HIS  16           H        HIS  16 -11.707   3.196   1.657
  101    HA   HIS  16           HA       HIS  16 -10.430   1.436  -0.222
  102    HB2  HIS  16           2HB      HIS  16 -12.723   2.000  -0.678
  103    HB3  HIS  16           1HB      HIS  16 -12.394   3.716  -0.510
  104    HD1  HIS  16           1HD      HIS  16 -12.063   0.875  -3.003
  105    HD2  HIS  16           2HD      HIS  16 -11.394   4.969  -2.744
  106    HE1  HIS  16           1HE      HIS  16 -11.580   1.649  -5.337
  107    H    CYS  17           H        CYS  17  -8.771   1.886  -1.438
  108    HA   CYS  17           HA       CYS  17  -7.502   4.501  -1.206
  109    HB2  CYS  17           2HB      CYS  17  -6.034   2.644  -0.694
  110    HB3  CYS  17           1HB      CYS  17  -6.451   1.860  -2.217
  111    H    GLY  18           H        GLY  18  -7.910   5.875  -2.803
  112    HA2  GLY  18           2HA      GLY  18  -8.777   4.762  -5.383
  113    HA3  GLY  18           1HA      GLY  18  -9.156   6.374  -4.797
  114    H    SER  19           H        SER  19  -6.025   5.815  -3.997
  115    HA   SER  19           HA       SER  19  -4.888   6.489  -6.567
  116    HB2  SER  19           2HB      SER  19  -5.536   8.665  -5.679
  117    HB3  SER  19           1HB      SER  19  -4.714   8.300  -4.168
  118    HG   SER  19           HG       SER  19  -3.728   9.187  -6.529
  119    H    SER  20           H        SER  20  -3.296   5.076  -6.707
  120    HA   SER  20           HA       SER  20  -2.086   3.894  -4.455
  121    HB2  SER  20           2HB      SER  20  -1.207   3.929  -7.351
  122    HB3  SER  20           1HB      SER  20  -0.499   2.907  -6.100
  123    HG   SER  20           HG       SER  20  -3.275   2.880  -6.524
  124    H    SER  21           H        SER  21  -1.376   6.808  -6.265
  125    HA   SER  21           HA       SER  21   1.312   6.953  -5.324
  126    HB2  SER  21           2HB      SER  21   0.576   7.986  -7.452
  127    HB3  SER  21           1HB      SER  21  -0.369   9.160  -6.536
  128    HG   SER  21           HG       SER  21   2.393   8.855  -6.006
  129    H    LYS  22           H        LYS  22  -1.806   8.382  -4.285
  130    HA   LYS  22           HA       LYS  22  -0.789  10.095  -2.314
  131    HB2  LYS  22           2HB      LYS  22  -3.374   8.542  -2.341
  132    HB3  LYS  22           1HB      LYS  22  -2.973   9.722  -1.112
  133    HG2  LYS  22           2HG      LYS  22  -2.901  11.468  -2.833
  134    HG3  LYS  22           1HG      LYS  22  -3.339  10.260  -4.050
  135    HD2  LYS  22           2HD      LYS  22  -5.410   9.778  -2.819
  136    HD3  LYS  22           1HD      LYS  22  -4.967  10.987  -1.621
  137    HE2  LYS  22           2HE      LYS  22  -5.079  12.723  -3.322
  138    HE3  LYS  22           1HE      LYS  22  -5.473  11.512  -4.542
  139    HZ1  LYS  22           3HZ      LYS  22  -7.528  11.028  -3.358
  140    HZ2  LYS  22           1HZ      LYS  22  -7.438  12.669  -3.704
  141    HZ3  LYS  22           2HZ      LYS  22  -7.130  12.135  -2.154
  142    H    CYS  23           H        CYS  23  -1.818   6.727  -2.093
  143    HA   CYS  23           HA       CYS  23  -1.095   6.537   0.623
  144    HB2  CYS  23           2HB      CYS  23  -2.726   5.008  -0.372
  145    HB3  CYS  23           1HB      CYS  23  -1.437   4.278  -1.337
  146    H    SER  24           H        SER  24   0.673   6.027  -2.354
  147    HA   SER  24           HA       SER  24   2.831   4.606  -1.316
  148    HB2  SER  24           2HB      SER  24   2.366   5.100  -3.763
  149    HB3  SER  24           1HB      SER  24   2.995   6.723  -3.439
  150    HG   SER  24           HG       SER  24   4.376   4.672  -4.151
  151    H    GLN  25           H        GLN  25   2.304   8.112  -1.665
  152    HA   GLN  25           HA       GLN  25   4.766   8.744  -0.435
  153    HB2  GLN  25           2HB      GLN  25   2.338  10.479  -0.820
  154    HB3  GLN  25           1HB      GLN  25   3.940  11.030  -0.340
  155    HG2  GLN  25           2HG      GLN  25   4.821  10.111  -2.467
  156    HG3  GLN  25           1HG      GLN  25   3.157   9.788  -2.956
  157   HE21  GLN  25          1HE2      GLN  25   5.150  11.525  -4.107
  158   HE22  GLN  25          2HE2      GLN  25   4.467  13.112  -4.140
  159    H    GLN  26           H        GLN  26   1.483   8.375   0.775
  160    HA   GLN  26           HA       GLN  26   1.935   9.344   3.366
  161    HB2  GLN  26           2HB      GLN  26  -0.323   8.817   2.515
  162    HB3  GLN  26           1HB      GLN  26   0.082   7.105   2.516
  163    HG2  GLN  26           2HG      GLN  26   0.402   7.193   4.948
  164    HG3  GLN  26           1HG      GLN  26  -0.056   8.891   4.935
  165   HE21  GLN  26          1HE2      GLN  26  -1.179   5.610   4.688
  166   HE22  GLN  26          2HE2      GLN  26  -2.852   6.008   4.829
  167    H    CYS  27           H        CYS  27   2.141   6.023   2.126
  168    HA   CYS  27           HA       CYS  27   3.017   4.984   4.604
  169    HB2  CYS  27           2HB      CYS  27   1.832   3.654   2.848
  170    HB3  CYS  27           1HB      CYS  27   3.291   3.731   1.872
  171    H    LYS  28           H        LYS  28   4.713   6.100   1.690
  172    HA   LYS  28           HA       LYS  28   7.265   5.165   2.445
  173    HB2  LYS  28           2HB      LYS  28   6.650   5.889   0.162
  174    HB3  LYS  28           1HB      LYS  28   6.523   7.536   0.755
  175    HG2  LYS  28           2HG      LYS  28   8.925   7.521   1.277
  176    HG3  LYS  28           1HG      LYS  28   9.025   5.875   0.679
  177    HD2  LYS  28           2HD      LYS  28   9.761   7.441  -1.058
  178    HD3  LYS  28           1HD      LYS  28   8.307   6.577  -1.542
  179    HE2  LYS  28           2HE      LYS  28   6.944   8.536  -0.896
  180    HE3  LYS  28           1HE      LYS  28   8.417   9.398  -0.455
  181    HZ1  LYS  28           3HZ      LYS  28   7.619   9.996  -2.644
  182    HZ2  LYS  28           1HZ      LYS  28   7.714   8.403  -3.155
  183    HZ3  LYS  28           2HZ      LYS  28   9.120   9.262  -2.754
  184    H    ASP  29           H        ASP  29   5.539   8.157   3.134
  185    HA   ASP  29           HA       ASP  29   7.822   9.340   4.430
  186    HB2  ASP  29           2HB      ASP  29   6.252  10.825   3.329
  187    HB3  ASP  29           1HB      ASP  29   4.944  10.230   4.341
  188    H    ARG  30           H        ARG  30   4.843   7.755   5.535
  189    HA   ARG  30           HA       ARG  30   5.363   8.393   8.239
  190    HB2  ARG  30           2HB      ARG  30   3.136   8.133   7.130
  191    HB3  ARG  30           1HB      ARG  30   3.446   6.411   7.057
  192    HG2  ARG  30           2HG      ARG  30   3.485   6.245   9.391
  193    HG3  ARG  30           1HG      ARG  30   3.417   8.015   9.549
  194    HD2  ARG  30           2HD      ARG  30   1.254   6.244   8.382
  195    HD3  ARG  30           1HD      ARG  30   1.182   7.056   9.947
  196    HE   ARG  30           HE       ARG  30   1.672   9.007   8.036
  197   HH11  ARG  30          1HH1      ARG  30  -0.987   6.765   8.721
  198   HH12  ARG  30          2HH1      ARG  30  -2.184   7.818   8.126
  199   HH21  ARG  30          1HH2      ARG  30   0.057  10.384   7.187
  200   HH22  ARG  30          2HH2      ARG  30  -1.582   9.931   7.194
  201    H    GLU  31           H        GLU  31   5.731   5.511   6.199
  202    HA   GLU  31           HA       GLU  31   6.914   4.085   8.464
  203    HB2  GLU  31           2HB      GLU  31   5.625   3.095   5.927
  204    HB3  GLU  31           1HB      GLU  31   6.373   2.040   7.127
  205    HG2  GLU  31           2HG      GLU  31   4.047   3.880   7.665
  206    HG3  GLU  31           1HG      GLU  31   3.888   2.175   7.256
  207    H    HIS  32           H        HIS  32   8.282   2.104   6.914
  208    HA   HIS  32           HA       HIS  32  10.513   3.769   6.035
  209    HB2  HIS  32           2HB      HIS  32  11.975   1.839   6.494
  210    HB3  HIS  32           1HB      HIS  32  11.024   2.286   7.903
  211    HD1  HIS  32           1HD      HIS  32  11.855  -0.577   5.763
  212    HD2  HIS  32           2HD      HIS  32   8.833   0.564   8.336
  213    HE1  HIS  32           1HE      HIS  32  10.651  -2.714   6.350
  214    H    PHE  33           H        PHE  33   8.230   2.924   4.302
  215    HA   PHE  33           HA       PHE  33   9.413   0.907   2.588
  216    HB2  PHE  33           2HB      PHE  33   6.700   2.227   2.504
  217    HB3  PHE  33           1HB      PHE  33   7.248   1.018   1.351
  218    HD1  PHE  33           2HD      PHE  33   6.419   1.604   4.883
  219    HD2  PHE  33           1HD      PHE  33   7.168  -1.281   1.879
  220    HE1  PHE  33           2HE      PHE  33   5.597  -0.153   6.386
  221    HE2  PHE  33           1HE      PHE  33   6.327  -3.054   3.380
  222    HZ   PHE  33           HZ       PHE  33   5.553  -2.488   5.629
  223    H    ALA  34           H        ALA  34  10.944   1.698   1.390
  224    HA   ALA  34           HA       ALA  34  11.189   4.310   0.404
  225    HB1  ALA  34           1HB      ALA  34  13.062   2.720   0.624
  226    HB2  ALA  34           2HB      ALA  34  12.977   3.437  -0.984
  227    HB3  ALA  34           3HB      ALA  34  12.405   1.791  -0.721
  228    H    TYR  35           H        TYR  35   9.657   1.493  -0.870
  229    HA   TYR  35           HA       TYR  35   9.180   2.770  -3.442
  230    HB2  TYR  35           2HB      TYR  35   8.593  -0.049  -2.500
  231    HB3  TYR  35           1HB      TYR  35   8.359   0.545  -4.146
  232    HD1  TYR  35           2HD      TYR  35  10.328   1.246  -5.479
  233    HD2  TYR  35           1HD      TYR  35  10.773  -0.697  -1.736
  234    HE1  TYR  35           2HE      TYR  35  12.674   0.785  -6.008
  235    HE2  TYR  35           1HE      TYR  35  13.138  -1.151  -2.259
  236    HH   TYR  35           HH       TYR  35  14.758   0.437  -4.593
  237    H    GLY  36           H        GLY  36   7.874   3.070  -0.593
  238    HA2  GLY  36           2HA      GLY  36   5.890   3.763   0.216
  239    HA3  GLY  36           1HA      GLY  36   5.449   4.121  -1.448
  240    H    GLY  37           H        GLY  37   3.662   3.208  -2.007
  241    HA2  GLY  37           2HA      GLY  37   3.216   0.431  -1.549
  242    HA3  GLY  37           1HA      GLY  37   2.117   1.499  -0.667
  243    H    ALA  38           H        ALA  38   1.138  -0.193  -2.496
  244    HA   ALA  38           HA       ALA  38   0.097   1.681  -4.437
  245    HB1  ALA  38           1HB      ALA  38   1.784   0.417  -5.682
  246    HB2  ALA  38           2HB      ALA  38   0.164  -0.054  -6.201
  247    HB3  ALA  38           3HB      ALA  38   1.085  -1.101  -5.127
  248    H    CYS  39           H        CYS  39  -2.011   0.767  -5.281
  249    HA   CYS  39           HA       CYS  39  -3.172  -0.623  -3.004
  250    HB2  CYS  39           2HB      CYS  39  -4.482   1.376  -4.845
  251    HB3  CYS  39           1HB      CYS  39  -5.196   0.655  -3.393
  252    H    HIS  40           H        HIS  40  -4.497  -2.293  -3.247
  253    HA   HIS  40           HA       HIS  40  -4.867  -3.414  -5.940
  254    HB2  HIS  40           2HB      HIS  40  -2.747  -4.288  -4.868
  255    HB3  HIS  40           1HB      HIS  40  -3.721  -4.900  -3.549
  256    HD1  HIS  40           1HD      HIS  40  -5.344  -7.015  -4.199
  257    HD2  HIS  40           2HD      HIS  40  -2.540  -5.857  -7.050
  258    HE1  HIS  40           1HE      HIS  40  -5.081  -8.973  -5.739
  259    H    TYR  41           H        TYR  41  -6.590  -5.030  -5.908
  260    HA   TYR  41           HA       TYR  41  -8.640  -4.326  -4.073
  261    HB2  TYR  41           2HB      TYR  41  -9.289  -4.753  -6.348
  262    HB3  TYR  41           1HB      TYR  41  -8.592  -6.368  -6.293
  263    HD1  TYR  41           2HD      TYR  41 -11.160  -4.328  -4.452
  264    HD2  TYR  41           1HD      TYR  41 -10.039  -8.151  -5.962
  265    HE1  TYR  41           2HE      TYR  41 -13.290  -5.249  -3.692
  266    HE2  TYR  41           1HE      TYR  41 -12.154  -9.077  -5.216
  267    HH   TYR  41           HH       TYR  41 -13.881  -8.669  -3.703
  268    H    GLN  42           H        GLN  42  -9.419  -5.299  -2.422
  269    HA   GLN  42           HA       GLN  42  -8.976  -8.057  -1.879
  270    HB2  GLN  42           2HB      GLN  42  -7.110  -6.960  -0.681
  271    HB3  GLN  42           1HB      GLN  42  -8.236  -5.822   0.042
  272    HG2  GLN  42           2HG      GLN  42  -9.303  -7.588   1.266
  273    HG3  GLN  42           1HG      GLN  42  -8.301  -8.798   0.484
  274   HE21  GLN  42          1HE2      GLN  42  -8.594  -8.178   3.296
  275   HE22  GLN  42          2HE2      GLN  42  -7.036  -7.745   3.879
  276    H    PHE  43           H        PHE  43 -10.829  -8.778  -0.854
  277    HA   PHE  43           HA       PHE  43 -13.064  -7.133  -1.044
  278    HB2  PHE  43           2HB      PHE  43 -13.178  -9.601  -1.129
  279    HB3  PHE  43           1HB      PHE  43 -12.768  -9.677   0.581
  280    HD1  PHE  43           2HD      PHE  43 -15.342  -8.536  -1.822
  281    HD2  PHE  43           1HD      PHE  43 -14.456  -9.484   2.241
  282    HE1  PHE  43           2HE      PHE  43 -17.721  -8.385  -1.269
  283    HE2  PHE  43           1HE      PHE  43 -16.839  -9.332   2.793
  284    HZ   PHE  43           HZ       PHE  43 -18.480  -8.780   1.038
  285    HA   PRO  44           HA       PRO  44 -14.777  -6.435  -0.368
  286    HB2  PRO  44           2HB      PRO  44 -16.267  -4.510   0.613
  287    HB3  PRO  44           1HB      PRO  44 -16.220  -6.096   1.387
  288    HG2  PRO  44           2HG      PRO  44 -14.909  -3.549   2.227
  289    HG3  PRO  44           1HG      PRO  44 -15.623  -4.822   3.229
  290    HD2  PRO  44           2HD      PRO  44 -12.885  -4.507   2.616
  291    HD3  PRO  44           1HD      PRO  44 -13.638  -5.930   3.354
  292    H    SER  45           H        SER  45 -12.517  -3.931   0.541
  293    HA   SER  45           HA       SER  45 -13.236  -2.483  -1.896
  294    HB2  SER  45           2HB      SER  45 -12.416  -1.195   0.714
  295    HB3  SER  45           1HB      SER  45 -12.850  -0.360  -0.774
  296    HG   SER  45           HG       SER  45 -14.861  -1.949  -0.280
  297    H    VAL  46           H        VAL  46 -11.515  -1.512  -3.002
  298    HA   VAL  46           HA       VAL  46  -9.009  -2.719  -3.016
  299    HB   VAL  46           HB       VAL  46  -9.734   0.063  -4.002
  300   HG11  VAL  46          1HG1      VAL  46  -7.806  -0.157  -5.509
  301   HG12  VAL  46          2HG1      VAL  46  -7.390  -1.690  -4.745
  302   HG13  VAL  46          3HG1      VAL  46  -7.317  -0.195  -3.815
  303   HG21  VAL  46          3HG2      VAL  46 -11.126  -1.663  -5.010
  304   HG22  VAL  46          1HG2      VAL  46  -9.687  -2.581  -5.453
  305   HG23  VAL  46          2HG2      VAL  46  -9.992  -1.012  -6.195
  306    H    LYS  47           H        LYS  47  -7.392  -2.618  -1.668
  307    HA   LYS  47           HA       LYS  47  -7.294  -0.396   0.253
  308    HB2  LYS  47           2HB      LYS  47  -7.982  -2.555   1.250
  309    HB3  LYS  47           1HB      LYS  47  -6.506  -3.295   0.658
  310    HG2  LYS  47           2HG      LYS  47  -5.170  -1.891   2.110
  311    HG3  LYS  47           1HG      LYS  47  -6.606  -1.020   2.636
  312    HD2  LYS  47           2HD      LYS  47  -6.152  -3.962   3.037
  313    HD3  LYS  47           1HD      LYS  47  -5.777  -2.728   4.248
  314    HE2  LYS  47           2HE      LYS  47  -8.177  -2.034   4.166
  315    HE3  LYS  47           1HE      LYS  47  -8.483  -3.389   3.085
  316    HZ1  LYS  47           3HZ      LYS  47  -7.453  -3.596   5.853
  317    HZ2  LYS  47           1HZ      LYS  47  -7.804  -4.907   4.850
  318    HZ3  LYS  47           2HZ      LYS  47  -9.039  -3.889   5.383
  319    H    CYS  48           H        CYS  48  -5.083  -0.031   1.096
  320    HA   CYS  48           HA       CYS  48  -3.218  -0.046  -1.112
  321    HB2  CYS  48           2HB      CYS  48  -3.676   2.057   0.023
  322    HB3  CYS  48           1HB      CYS  48  -3.136   1.354   1.545
  323    H    PHE  49           H        PHE  49  -1.258  -0.993  -1.022
  324    HA   PHE  49           HA       PHE  49  -0.551  -2.513   1.359
  325    HB2  PHE  49           2HB      PHE  49  -0.365  -3.501  -1.508
  326    HB3  PHE  49           1HB      PHE  49   0.215  -4.322  -0.056
  327    HD1  PHE  49           1HD      PHE  49  -2.777  -3.274  -1.911
  328    HD2  PHE  49           2HD      PHE  49  -1.243  -5.529   1.332
  329    HE1  PHE  49           1HE      PHE  49  -4.977  -4.345  -1.634
  330    HE2  PHE  49           2HE      PHE  49  -3.443  -6.606   1.620
  331    HZ   PHE  49           HZ       PHE  49  -5.299  -6.015   0.148
  332    H    CYS  50           H        CYS  50   1.341  -1.885   1.984
  333    HA   CYS  50           HA       CYS  50   2.998  -0.184   0.379
  334    HB2  CYS  50           2HB      CYS  50   3.399  -1.336   3.138
  335    HB3  CYS  50           1HB      CYS  50   4.396  -0.088   2.398
  336    H    LYS  51           H        LYS  51   5.117  -0.683  -0.288
  337    HA   LYS  51           HA       LYS  51   5.406  -3.579  -0.713
  338    HB2  LYS  51           2HB      LYS  51   6.429  -1.358  -2.487
  339    HB3  LYS  51           1HB      LYS  51   6.389  -3.075  -2.854
  340    HG2  LYS  51           2HG      LYS  51   3.936  -3.035  -2.822
  341    HG3  LYS  51           1HG      LYS  51   3.972  -1.310  -2.474
  342    HD2  LYS  51           2HD      LYS  51   3.576  -1.492  -4.797
  343    HD3  LYS  51           1HD      LYS  51   5.277  -1.055  -4.641
  344    HE2  LYS  51           2HE      LYS  51   5.114  -2.764  -6.291
  345    HE3  LYS  51           1HE      LYS  51   5.835  -3.486  -4.856
  346    HZ1  LYS  51           3HZ      LYS  51   3.031  -3.770  -5.792
  347    HZ2  LYS  51           1HZ      LYS  51   3.552  -4.392  -4.304
  348    HZ3  LYS  51           2HZ      LYS  51   4.213  -4.962  -5.731
  349    H    ARG  52           H        ARG  52   6.876  -4.332   0.640
  350    HA   ARG  52           HA       ARG  52   9.270  -2.729   1.246
  351    HB2  ARG  52           2HB      ARG  52   9.754  -4.340   3.019
  352    HB3  ARG  52           1HB      ARG  52   8.153  -3.665   3.218
  353    HG2  ARG  52           2HG      ARG  52   7.159  -5.691   2.343
  354    HG3  ARG  52           1HG      ARG  52   8.757  -6.345   1.985
  355    HD2  ARG  52           2HD      ARG  52   9.291  -6.260   4.397
  356    HD3  ARG  52           1HD      ARG  52   7.651  -5.696   4.711
  357    HE   ARG  52           HE       ARG  52   6.815  -7.797   3.949
  358   HH11  ARG  52          1HH1      ARG  52  10.323  -7.726   4.513
  359   HH12  ARG  52          2HH1      ARG  52  10.466  -9.416   4.640
  360   HH21  ARG  52          1HH2      ARG  52   7.033 -10.116   4.164
  361   HH22  ARG  52          2HH2      ARG  52   8.578 -10.785   4.419
  362    H    GLN  53           H        GLN  53  11.382  -3.745   1.264
  363    HA   GLN  53           HA       GLN  53  11.902  -5.173  -1.153
  364    HB2  GLN  53           2HB      GLN  53  13.711  -4.344   1.102
  365    HB3  GLN  53           1HB      GLN  53  14.214  -4.913  -0.478
  366    HG2  GLN  53           2HG      GLN  53  13.244  -2.989  -1.516
  367    HG3  GLN  53           1HG      GLN  53  12.648  -2.395   0.033
  368   HE21  GLN  53          1HE2      GLN  53  13.826  -0.531   0.056
  369   HE22  GLN  53          2HE2      GLN  53  15.546  -0.474   0.163
  370    H    CYS  54           H        CYS  54  11.736  -7.345  -1.226
  371    HA   CYS  54           HA       CYS  54  12.544  -8.832   1.139
  372    HB2  CYS  54           2HB      CYS  54  10.721  -9.627  -1.141
  373    HB3  CYS  54           1HB      CYS  54  11.237 -10.716   0.146
  Start of MODEL   18
    1    H1   ASP   1           1HT      ASP   1   9.333  -5.236 -11.052
    2    H2   ASP   1           2HT      ASP   1  10.101  -6.524 -10.262
    3    H3   ASP   1           3HT      ASP   1  10.439  -6.213 -11.872
    4    HA   ASP   1           HA       ASP   1  11.520  -4.205 -11.366
    5    HB2  ASP   1           2HB      ASP   1  10.771  -4.868  -8.502
    6    HB3  ASP   1           1HB      ASP   1  11.879  -3.584  -8.971
    7    H    GLY   2           H        GLY   2  13.650  -4.198  -9.805
    8    HA2  GLY   2           2HA      GLY   2  14.925  -6.739 -10.362
    9    HA3  GLY   2           1HA      GLY   2  15.704  -5.284  -9.738
   10    H    VAL   3           H        VAL   3  14.090  -4.755  -7.613
   11    HA   VAL   3           HA       VAL   3  14.920  -6.782  -5.722
   12    HB   VAL   3           HB       VAL   3  13.496  -4.118  -5.306
   13   HG11  VAL   3          1HG1      VAL   3  14.775  -5.925  -3.254
   14   HG12  VAL   3          2HG1      VAL   3  13.041  -5.689  -3.473
   15   HG13  VAL   3          3HG1      VAL   3  14.056  -4.344  -2.949
   16   HG21  VAL   3          3HG2      VAL   3  16.368  -4.880  -4.866
   17   HG22  VAL   3          1HG2      VAL   3  15.642  -3.323  -4.480
   18   HG23  VAL   3          2HG2      VAL   3  15.761  -3.850  -6.167
   19    H    LYS   4           H        LYS   4  13.504  -8.105  -4.621
   20    HA   LYS   4           HA       LYS   4  10.890  -8.387  -5.784
   21    HB2  LYS   4           2HB      LYS   4  12.310  -9.974  -3.628
   22    HB3  LYS   4           1HB      LYS   4  10.654 -10.280  -4.100
   23    HG2  LYS   4           2HG      LYS   4  12.004 -11.898  -5.193
   24    HG3  LYS   4           1HG      LYS   4  11.491 -10.740  -6.412
   25    HD2  LYS   4           2HD      LYS   4  13.666  -9.657  -6.331
   26    HD3  LYS   4           1HD      LYS   4  14.175 -10.749  -5.044
   27    HE2  LYS   4           2HE      LYS   4  15.081 -11.509  -7.150
   28    HE3  LYS   4           1HE      LYS   4  13.880 -12.657  -6.575
   29    HZ1  LYS   4           3HZ      LYS   4  12.272 -11.618  -8.137
   30    HZ2  LYS   4           1HZ      LYS   4  13.613 -12.267  -8.925
   31    HZ3  LYS   4           2HZ      LYS   4  13.483 -10.616  -8.701
   32    H    LEU   5           H        LEU   5   9.270  -7.269  -5.092
   33    HA   LEU   5           HA       LEU   5   9.347  -6.296  -2.343
   34    HB2  LEU   5           2HB      LEU   5   7.651  -5.155  -4.568
   35    HB3  LEU   5           1HB      LEU   5   7.964  -4.554  -2.953
   36    HG   LEU   5           HG       LEU   5  10.125  -4.770  -5.011
   37   HD11  LEU   5          1HD1      LEU   5   9.878  -2.346  -5.296
   38   HD12  LEU   5          2HD1      LEU   5   8.466  -2.370  -4.240
   39   HD13  LEU   5          3HD1      LEU   5   8.420  -3.206  -5.793
   40   HD21  LEU   5          3HD2      LEU   5  11.290  -3.222  -3.493
   41   HD22  LEU   5          1HD2      LEU   5  10.898  -4.756  -2.718
   42   HD23  LEU   5          2HD2      LEU   5   9.932  -3.322  -2.373
   43    H    CYS   6           H        CYS   6   7.814  -6.760  -1.062
   44    HA   CYS   6           HA       CYS   6   5.701  -8.567  -2.008
   45    HB2  CYS   6           2HB      CYS   6   6.632  -8.115   0.831
   46    HB3  CYS   6           1HB      CYS   6   5.612  -9.417   0.230
   47    H    ASP   7           H        ASP   7   3.642  -7.900  -1.837
   48    HA   ASP   7           HA       ASP   7   3.119  -5.162  -1.151
   49    HB2  ASP   7           2HB      ASP   7   1.211  -7.390  -1.921
   50    HB3  ASP   7           1HB      ASP   7   0.777  -5.693  -1.800
   51    H    VAL   8           H        VAL   8   3.008  -4.601   0.900
   52    HA   VAL   8           HA       VAL   8   1.834  -6.496   2.780
   53    HB   VAL   8           HB       VAL   8   4.136  -5.817   3.369
   54   HG11  VAL   8          1HG1      VAL   8   4.258  -3.624   2.394
   55   HG12  VAL   8          2HG1      VAL   8   4.697  -3.562   4.103
   56   HG13  VAL   8          3HG1      VAL   8   3.105  -3.011   3.578
   57   HG21  VAL   8          3HG2      VAL   8   2.111  -4.699   5.286
   58   HG22  VAL   8          1HG2      VAL   8   3.800  -5.041   5.654
   59   HG23  VAL   8          2HG2      VAL   8   2.708  -6.367   5.225
   60    HA   PRO   9           HA       PRO   9  -1.917  -4.102   2.705
   61    HB2  PRO   9           2HB      PRO   9  -2.119  -5.236   5.459
   62    HB3  PRO   9           1HB      PRO   9  -3.318  -5.229   4.160
   63    HG2  PRO   9           2HG      PRO   9  -1.991  -7.446   4.727
   64    HG3  PRO   9           1HG      PRO   9  -2.309  -6.994   3.043
   65    HD2  PRO   9           2HD      PRO   9   0.225  -6.803   4.605
   66    HD3  PRO   9           1HD      PRO   9  -0.034  -7.200   2.891
   67    H    SER  10           H        SER  10  -1.798  -1.967   3.010
   68    HA   SER  10           HA       SER  10  -0.179  -0.818   5.033
   69    HB2  SER  10           2HB      SER  10  -0.492   0.188   2.790
   70    HB3  SER  10           1HB      SER  10  -2.188   0.459   3.166
   71    HG   SER  10           HG       SER  10  -0.158   1.978   3.604
   72    H    GLY  11           H        GLY  11  -0.838  -1.032   7.081
   73    HA2  GLY  11           2HA      GLY  11  -3.576  -1.049   7.877
   74    HA3  GLY  11           1HA      GLY  11  -2.177  -0.954   8.947
   75    H    THR  12           H        THR  12  -1.151   1.332   7.380
   76    HA   THR  12           HA       THR  12  -2.293   3.431   8.827
   77    HB   THR  12           HB       THR  12  -0.919   4.791   7.038
   78    HG1  THR  12           1HG      THR  12  -0.694   2.776   5.669
   79   HG21  THR  12          3HG2      THR  12   1.147   4.334   8.287
   80   HG22  THR  12          1HG2      THR  12   0.399   2.908   9.000
   81   HG23  THR  12          2HG2      THR  12  -0.230   4.515   9.372
   82    H    TRP  13           H        TRP  13  -3.047   2.034   5.741
   83    HA   TRP  13           HA       TRP  13  -4.535   4.379   4.891
   84    HB2  TRP  13           2HB      TRP  13  -3.182   3.041   3.273
   85    HB3  TRP  13           1HB      TRP  13  -4.269   1.685   3.555
   86    HD1  TRP  13           HD       TRP  13  -6.691   1.793   2.411
   87    HE1  TRP  13           1HE      TRP  13  -7.668   3.320   0.588
   88    HE3  TRP  13           3HE      TRP  13  -3.095   5.423   2.349
   89    HZ2  TRP  13           2HZ      TRP  13  -7.013   5.705  -0.703
   90    HZ3  TRP  13           3HZ      TRP  13  -3.348   7.289   0.791
   91    HH2  TRP  13           HH       TRP  13  -5.271   7.430  -0.713
   92    H    SER  14           H        SER  14  -6.764   4.454   4.804
   93    HA   SER  14           HA       SER  14  -8.177   2.154   5.938
   94    HB2  SER  14           2HB      SER  14  -8.778   5.071   6.475
   95    HB3  SER  14           1HB      SER  14  -9.559   3.672   7.216
   96    HG   SER  14           HG       SER  14  -7.308   3.133   7.911
   97    H    GLY  15           H        GLY  15  -9.416   1.381   4.310
   98    HA2  GLY  15           2HA      GLY  15 -11.494   1.641   3.187
   99    HA3  GLY  15           1HA      GLY  15 -11.088   3.324   2.903
  100    H    HIS  16           H        HIS  16 -11.572   3.070   0.766
  101    HA   HIS  16           HA       HIS  16 -10.227   1.174  -0.906
  102    HB2  HIS  16           2HB      HIS  16 -12.452   1.750  -1.544
  103    HB3  HIS  16           1HB      HIS  16 -12.115   3.467  -1.468
  104    HD1  HIS  16           1HD      HIS  16 -11.836   0.485  -3.788
  105    HD2  HIS  16           2HD      HIS  16 -10.915   4.545  -3.744
  106    HE1  HIS  16           1HE      HIS  16 -11.230   1.099  -6.144
  107    H    CYS  17           H        CYS  17  -8.477   1.414  -2.021
  108    HA   CYS  17           HA       CYS  17  -6.896   3.832  -1.787
  109    HB2  CYS  17           2HB      CYS  17  -5.907   1.521  -1.551
  110    HB3  CYS  17           1HB      CYS  17  -6.244   1.273  -3.255
  111    H    GLY  18           H        GLY  18  -7.898   5.317  -3.059
  112    HA2  GLY  18           2HA      GLY  18  -8.231   4.622  -5.885
  113    HA3  GLY  18           1HA      GLY  18  -8.985   5.999  -5.086
  114    H    SER  19           H        SER  19  -6.681   6.807  -3.675
  115    HA   SER  19           HA       SER  19  -5.216   8.044  -5.827
  116    HB2  SER  19           2HB      SER  19  -5.237   8.570  -2.860
  117    HB3  SER  19           1HB      SER  19  -4.371   9.533  -4.059
  118    HG   SER  19           HG       SER  19  -7.007   9.135  -4.657
  119    H    SER  20           H        SER  20  -3.723   6.578  -6.525
  120    HA   SER  20           HA       SER  20  -2.340   4.724  -4.971
  121    HB2  SER  20           2HB      SER  20  -1.510   5.939  -7.608
  122    HB3  SER  20           1HB      SER  20  -1.042   4.358  -6.972
  123    HG   SER  20           HG       SER  20  -3.299   3.822  -6.988
  124    H    SER  21           H        SER  21  -1.575   8.057  -5.882
  125    HA   SER  21           HA       SER  21   1.099   8.027  -5.018
  126    HB2  SER  21           2HB      SER  21  -0.809  10.339  -5.310
  127    HB3  SER  21           1HB      SER  21   0.949  10.440  -5.266
  128    HG   SER  21           HG       SER  21  -0.143  10.379  -7.397
  129    H    LYS  22           H        LYS  22  -1.951   8.764  -3.416
  130    HA   LYS  22           HA       LYS  22  -0.668   9.701  -1.043
  131    HB2  LYS  22           2HB      LYS  22  -3.517   8.825  -1.505
  132    HB3  LYS  22           1HB      LYS  22  -2.926   9.409   0.042
  133    HG2  LYS  22           2HG      LYS  22  -2.295  11.534  -1.066
  134    HG3  LYS  22           1HG      LYS  22  -3.059  10.940  -2.541
  135    HD2  LYS  22           2HD      LYS  22  -5.195  10.789  -1.430
  136    HD3  LYS  22           1HD      LYS  22  -4.464  11.230   0.115
  137    HE2  LYS  22           2HE      LYS  22  -4.619  12.979  -2.342
  138    HE3  LYS  22           1HE      LYS  22  -5.616  13.133  -0.897
  139    HZ1  LYS  22           3HZ      LYS  22  -2.664  13.457  -1.013
  140    HZ2  LYS  22           1HZ      LYS  22  -3.596  13.612   0.381
  141    HZ3  LYS  22           2HZ      LYS  22  -3.772  14.699  -0.896
  142    H    CYS  23           H        CYS  23  -1.921   6.649  -2.154
  143    HA   CYS  23           HA       CYS  23  -1.751   5.050   0.078
  144    HB2  CYS  23           2HB      CYS  23  -2.602   4.173  -1.974
  145    HB3  CYS  23           1HB      CYS  23  -1.106   4.520  -2.820
  146    H    SER  24           H        SER  24   0.829   5.650  -2.296
  147    HA   SER  24           HA       SER  24   2.792   4.274  -0.886
  148    HB2  SER  24           2HB      SER  24   4.262   5.586  -2.491
  149    HB3  SER  24           1HB      SER  24   3.061   4.478  -3.179
  150    HG   SER  24           HG       SER  24   2.290   6.103  -4.178
  151    H    GLN  25           H        GLN  25   2.183   7.730  -1.320
  152    HA   GLN  25           HA       GLN  25   4.360   8.694   0.097
  153    HB2  GLN  25           2HB      GLN  25   2.977  10.043  -1.422
  154    HB3  GLN  25           1HB      GLN  25   1.663   9.989  -0.263
  155    HG2  GLN  25           2HG      GLN  25   2.928  11.282   1.312
  156    HG3  GLN  25           1HG      GLN  25   4.352  11.223   0.272
  157   HE21  GLN  25          1HE2      GLN  25   4.350  12.377  -1.620
  158   HE22  GLN  25          2HE2      GLN  25   3.300  13.711  -1.913
  159    H    GLN  26           H        GLN  26   1.089   7.930   1.269
  160    HA   GLN  26           HA       GLN  26   1.448   9.090   3.813
  161    HB2  GLN  26           2HB      GLN  26  -0.756   8.549   2.860
  162    HB3  GLN  26           1HB      GLN  26  -0.400   6.844   3.041
  163    HG2  GLN  26           2HG      GLN  26  -0.247   7.112   5.454
  164    HG3  GLN  26           1HG      GLN  26  -0.603   8.827   5.292
  165   HE21  GLN  26          1HE2      GLN  26  -2.015   6.810   6.722
  166   HE22  GLN  26          2HE2      GLN  26  -3.614   6.746   6.101
  167    H    CYS  27           H        CYS  27   1.838   5.656   2.846
  168    HA   CYS  27           HA       CYS  27   2.509   5.147   5.583
  169    HB2  CYS  27           2HB      CYS  27   2.882   2.810   5.014
  170    HB3  CYS  27           1HB      CYS  27   1.371   3.371   4.332
  171    H    LYS  28           H        LYS  28   4.269   5.754   2.696
  172    HA   LYS  28           HA       LYS  28   6.859   5.110   3.610
  173    HB2  LYS  28           2HB      LYS  28   6.396   5.308   1.283
  174    HB3  LYS  28           1HB      LYS  28   5.751   6.920   1.480
  175    HG2  LYS  28           2HG      LYS  28   7.985   7.775   1.880
  176    HG3  LYS  28           1HG      LYS  28   8.638   6.134   1.775
  177    HD2  LYS  28           2HD      LYS  28   8.008   5.924  -0.510
  178    HD3  LYS  28           1HD      LYS  28   7.045   7.398  -0.448
  179    HE2  LYS  28           2HE      LYS  28   8.954   8.729  -0.223
  180    HE3  LYS  28           1HE      LYS  28  10.024   7.332  -0.027
  181    HZ1  LYS  28           3HZ      LYS  28   9.538   6.714  -2.336
  182    HZ2  LYS  28           1HZ      LYS  28  10.150   8.275  -2.246
  183    HZ3  LYS  28           2HZ      LYS  28   8.510   8.049  -2.512
  184    H    ASP  29           H        ASP  29   4.967   8.114   3.610
  185    HA   ASP  29           HA       ASP  29   6.869   9.823   4.766
  186    HB2  ASP  29           2HB      ASP  29   4.792  10.595   3.659
  187    HB3  ASP  29           1HB      ASP  29   3.851   9.906   4.970
  188    H    ARG  30           H        ARG  30   4.366   7.717   6.170
  189    HA   ARG  30           HA       ARG  30   4.741   8.371   8.802
  190    HB2  ARG  30           2HB      ARG  30   2.820   7.114   8.003
  191    HB3  ARG  30           1HB      ARG  30   3.864   5.829   7.455
  192    HG2  ARG  30           2HG      ARG  30   2.668   5.275   9.469
  193    HG3  ARG  30           1HG      ARG  30   4.434   5.252   9.638
  194    HD2  ARG  30           2HD      ARG  30   3.327   6.267  11.620
  195    HD3  ARG  30           1HD      ARG  30   4.389   7.390  10.776
  196    HE   ARG  30           HE       ARG  30   1.935   7.836   9.704
  197   HH11  ARG  30          1HH1      ARG  30   3.287   7.910  12.969
  198   HH12  ARG  30          2HH1      ARG  30   2.207   9.100  13.543
  199   HH21  ARG  30          1HH2      ARG  30   0.446   9.462  10.483
  200   HH22  ARG  30          2HH2      ARG  30   0.532  10.007  12.084
  201    H    GLU  31           H        GLU  31   5.762   5.227   7.521
  202    HA   GLU  31           HA       GLU  31   8.469   5.206   8.055
  203    HB2  GLU  31           2HB      GLU  31   6.824   4.379  10.452
  204    HB3  GLU  31           1HB      GLU  31   8.331   3.561  10.110
  205    HG2  GLU  31           2HG      GLU  31   9.514   5.691  10.328
  206    HG3  GLU  31           1HG      GLU  31   7.970   6.485  10.650
  207    H    HIS  32           H        HIS  32   8.128   4.042   6.090
  208    HA   HIS  32           HA       HIS  32   7.695   1.266   6.674
  209    HB2  HIS  32           2HB      HIS  32   6.020   2.714   4.624
  210    HB3  HIS  32           1HB      HIS  32   6.389   1.010   4.426
  211    HD1  HIS  32           1HD      HIS  32   4.521   3.358   6.699
  212    HD2  HIS  32           2HD      HIS  32   4.887  -0.702   5.963
  213    HE1  HIS  32           1HE      HIS  32   2.659   2.229   8.038
  214    H    PHE  33           H        PHE  33   7.829   2.551   3.416
  215    HA   PHE  33           HA       PHE  33  10.594   1.736   3.181
  216    HB2  PHE  33           2HB      PHE  33   8.353   0.418   1.592
  217    HB3  PHE  33           1HB      PHE  33  10.074   0.194   1.295
  218    HD1  PHE  33           2HD      PHE  33  11.470  -0.952   2.982
  219    HD2  PHE  33           1HD      PHE  33   7.204  -0.818   3.348
  220    HE1  PHE  33           2HE      PHE  33  11.542  -2.742   4.664
  221    HE2  PHE  33           1HE      PHE  33   7.300  -2.575   5.036
  222    HZ   PHE  33           HZ       PHE  33   9.458  -3.544   5.697
  223    H    ALA  34           H        ALA  34  11.575   2.657   1.402
  224    HA   ALA  34           HA       ALA  34  10.548   5.139   0.539
  225    HB1  ALA  34           1HB      ALA  34  12.942   4.678   0.744
  226    HB2  ALA  34           2HB      ALA  34  12.532   5.273  -0.867
  227    HB3  ALA  34           3HB      ALA  34  12.833   3.552  -0.608
  228    H    TYR  35           H        TYR  35  10.198   2.002  -0.679
  229    HA   TYR  35           HA       TYR  35   9.651   2.545  -3.403
  230    HB2  TYR  35           2HB      TYR  35   8.775   0.242  -1.648
  231    HB3  TYR  35           1HB      TYR  35   8.571   0.300  -3.394
  232    HD1  TYR  35           2HD      TYR  35  10.494   0.149  -4.857
  233    HD2  TYR  35           1HD      TYR  35  10.933  -0.216  -0.657
  234    HE1  TYR  35           2HE      TYR  35  12.740  -0.800  -5.185
  235    HE2  TYR  35           1HE      TYR  35  13.174  -1.161  -0.955
  236    HH   TYR  35           HH       TYR  35  14.811  -1.088  -3.957
  237    H    GLY  36           H        GLY  36   7.814   2.903  -0.496
  238    HA2  GLY  36           2HA      GLY  36   5.793   3.931  -0.217
  239    HA3  GLY  36           1HA      GLY  36   5.679   4.099  -1.967
  240    H    GLY  37           H        GLY  37   4.075   2.982  -2.872
  241    HA2  GLY  37           2HA      GLY  37   3.516   0.318  -2.287
  242    HA3  GLY  37           1HA      GLY  37   2.416   1.375  -1.401
  243    H    ALA  38           H        ALA  38   1.075  -0.037  -2.909
  244    HA   ALA  38           HA       ALA  38   0.203   1.680  -5.053
  245    HB1  ALA  38           1HB      ALA  38   0.175  -0.157  -6.698
  246    HB2  ALA  38           2HB      ALA  38   1.026  -1.183  -5.541
  247    HB3  ALA  38           3HB      ALA  38   1.816   0.250  -6.194
  248    H    CYS  39           H        CYS  39  -1.897   0.877  -5.877
  249    HA   CYS  39           HA       CYS  39  -3.505  -0.034  -3.661
  250    HB2  CYS  39           2HB      CYS  39  -4.286   0.789  -6.459
  251    HB3  CYS  39           1HB      CYS  39  -5.393   0.556  -5.115
  252    H    HIS  40           H        HIS  40  -4.252  -2.066  -3.434
  253    HA   HIS  40           HA       HIS  40  -4.355  -3.881  -5.720
  254    HB2  HIS  40           2HB      HIS  40  -2.126  -4.130  -4.675
  255    HB3  HIS  40           1HB      HIS  40  -2.876  -4.401  -3.119
  256    HD1  HIS  40           1HD      HIS  40  -2.353  -6.070  -6.461
  257    HD2  HIS  40           2HD      HIS  40  -3.568  -6.960  -2.596
  258    HE1  HIS  40           1HE      HIS  40  -2.413  -8.588  -6.320
  259    H    TYR  41           H        TYR  41  -5.959  -5.549  -5.374
  260    HA   TYR  41           HA       TYR  41  -7.988  -4.657  -3.473
  261    HB2  TYR  41           2HB      TYR  41  -8.409  -5.245  -5.969
  262    HB3  TYR  41           1HB      TYR  41  -8.353  -6.914  -5.421
  263    HD1  TYR  41           2HD      TYR  41  -9.955  -7.339  -3.236
  264    HD2  TYR  41           1HD      TYR  41 -10.482  -4.271  -6.128
  265    HE1  TYR  41           2HE      TYR  41 -12.301  -7.154  -2.601
  266    HE2  TYR  41           1HE      TYR  41 -12.825  -4.070  -5.498
  267    HH   TYR  41           HH       TYR  41 -14.081  -5.363  -2.693
  268    H    GLN  42           H        GLN  42  -8.347  -5.512  -1.606
  269    HA   GLN  42           HA       GLN  42  -7.975  -8.366  -1.317
  270    HB2  GLN  42           2HB      GLN  42  -5.990  -7.472  -0.296
  271    HB3  GLN  42           1HB      GLN  42  -6.939  -6.379   0.712
  272    HG2  GLN  42           2HG      GLN  42  -7.918  -8.266   1.869
  273    HG3  GLN  42           1HG      GLN  42  -7.070  -9.396   0.825
  274   HE21  GLN  42          1HE2      GLN  42  -7.028  -9.073   3.696
  275   HE22  GLN  42          2HE2      GLN  42  -5.365  -8.827   4.132
  276    H    PHE  43           H        PHE  43  -8.845  -6.081   1.005
  277    HA   PHE  43           HA       PHE  43 -11.626  -6.779   0.808
  278    HB2  PHE  43           2HB      PHE  43 -10.643  -8.684   2.068
  279    HB3  PHE  43           1HB      PHE  43 -10.080  -7.563   3.296
  280    HD1  PHE  43           1HD      PHE  43 -13.074  -9.034   1.736
  281    HD2  PHE  43           2HD      PHE  43 -11.536  -6.827   5.035
  282    HE1  PHE  43           1HE      PHE  43 -15.210  -9.315   2.917
  283    HE2  PHE  43           2HE      PHE  43 -13.671  -7.104   6.216
  284    HZ   PHE  43           HZ       PHE  43 -15.510  -8.348   5.161
  285    HA   PRO  44           HA       PRO  44 -13.366  -6.192   1.392
  286    HB2  PRO  44           2HB      PRO  44 -15.078  -3.900   1.497
  287    HB3  PRO  44           1HB      PRO  44 -15.114  -5.307   2.559
  288    HG2  PRO  44           2HG      PRO  44 -14.440  -2.746   3.372
  289    HG3  PRO  44           1HG      PRO  44 -13.968  -4.229   4.218
  290    HD2  PRO  44           2HD      PRO  44 -12.385  -2.543   2.316
  291    HD3  PRO  44           1HD      PRO  44 -11.860  -3.349   3.811
  292    H    SER  45           H        SER  45 -11.756  -3.443   0.501
  293    HA   SER  45           HA       SER  45 -12.868  -3.317  -2.209
  294    HB2  SER  45           2HB      SER  45 -12.062  -1.028  -0.406
  295    HB3  SER  45           1HB      SER  45 -12.664  -0.856  -2.046
  296    HG   SER  45           HG       SER  45 -14.558  -2.034  -1.216
  297    H    VAL  46           H        VAL  46 -11.193  -1.863  -3.515
  298    HA   VAL  46           HA       VAL  46  -8.617  -2.929  -3.505
  299    HB   VAL  46           HB       VAL  46  -9.389  -0.109  -4.362
  300   HG11  VAL  46          1HG1      VAL  46  -7.060  -1.828  -5.205
  301   HG12  VAL  46          2HG1      VAL  46  -6.978  -0.467  -4.098
  302   HG13  VAL  46          3HG1      VAL  46  -7.422  -0.202  -5.790
  303   HG21  VAL  46          3HG2      VAL  46  -9.240  -2.620  -6.010
  304   HG22  VAL  46          1HG2      VAL  46  -9.616  -1.009  -6.608
  305   HG23  VAL  46          2HG2      VAL  46 -10.733  -1.825  -5.505
  306    H    LYS  47           H        LYS  47  -6.958  -2.654  -2.128
  307    HA   LYS  47           HA       LYS  47  -7.232  -0.591  -0.060
  308    HB2  LYS  47           2HB      LYS  47  -7.700  -2.883   0.716
  309    HB3  LYS  47           1HB      LYS  47  -6.164  -3.425   0.087
  310    HG2  LYS  47           2HG      LYS  47  -6.040  -3.232   2.468
  311    HG3  LYS  47           1HG      LYS  47  -5.027  -1.984   1.747
  312    HD2  LYS  47           2HD      LYS  47  -6.720  -0.317   2.170
  313    HD3  LYS  47           1HD      LYS  47  -7.836  -1.551   2.760
  314    HE2  LYS  47           2HE      LYS  47  -5.168  -0.895   4.009
  315    HE3  LYS  47           1HE      LYS  47  -6.719  -0.299   4.590
  316    HZ1  LYS  47           3HZ      LYS  47  -5.927  -2.240   5.817
  317    HZ2  LYS  47           1HZ      LYS  47  -5.961  -3.181   4.430
  318    HZ3  LYS  47           2HZ      LYS  47  -7.389  -2.549   5.066
  319    H    CYS  48           H        CYS  48  -5.120   0.122   0.771
  320    HA   CYS  48           HA       CYS  48  -3.159   0.340  -1.327
  321    HB2  CYS  48           2HB      CYS  48  -3.656   2.328  -0.079
  322    HB3  CYS  48           1HB      CYS  48  -3.360   1.507   1.445
  323    H    PHE  49           H        PHE  49  -1.315  -0.764  -1.432
  324    HA   PHE  49           HA       PHE  49  -0.489  -2.338   0.882
  325    HB2  PHE  49           2HB      PHE  49  -0.565  -3.124  -2.026
  326    HB3  PHE  49           1HB      PHE  49   0.488  -3.902  -0.861
  327    HD1  PHE  49           1HD      PHE  49  -3.108  -3.078  -1.383
  328    HD2  PHE  49           2HD      PHE  49  -0.239  -5.727   0.271
  329    HE1  PHE  49           1HE      PHE  49  -4.896  -4.637  -0.761
  330    HE2  PHE  49           2HE      PHE  49  -2.007  -7.268   0.897
  331    HZ   PHE  49           HZ       PHE  49  -4.331  -6.738   0.402
  332    H    CYS  50           H        CYS  50   1.349  -1.631   1.553
  333    HA   CYS  50           HA       CYS  50   3.027   0.025  -0.114
  334    HB2  CYS  50           2HB      CYS  50   3.583  -1.044   2.667
  335    HB3  CYS  50           1HB      CYS  50   4.342   0.340   1.882
  336    H    LYS  51           H        LYS  51   5.070  -0.592  -0.850
  337    HA   LYS  51           HA       LYS  51   5.231  -3.488  -1.066
  338    HB2  LYS  51           2HB      LYS  51   6.509  -1.379  -2.817
  339    HB3  LYS  51           1HB      LYS  51   6.755  -3.103  -2.990
  340    HG2  LYS  51           2HG      LYS  51   4.274  -3.385  -3.199
  341    HG3  LYS  51           1HG      LYS  51   4.158  -1.633  -3.308
  342    HD2  LYS  51           2HD      LYS  51   5.509  -1.637  -5.314
  343    HD3  LYS  51           1HD      LYS  51   5.771  -3.379  -5.164
  344    HE2  LYS  51           2HE      LYS  51   3.319  -3.715  -5.351
  345    HE3  LYS  51           1HE      LYS  51   3.137  -1.984  -5.627
  346    HZ1  LYS  51           3HZ      LYS  51   4.663  -3.858  -7.342
  347    HZ2  LYS  51           1HZ      LYS  51   4.494  -2.215  -7.618
  348    HZ3  LYS  51           2HZ      LYS  51   3.152  -3.223  -7.708
  349    H    ARG  52           H        ARG  52   6.337  -4.468   0.297
  350    HA   ARG  52           HA       ARG  52   8.526  -3.062   1.515
  351    HB2  ARG  52           2HB      ARG  52   8.627  -4.839   3.200
  352    HB3  ARG  52           1HB      ARG  52   7.057  -4.082   3.103
  353    HG2  ARG  52           2HG      ARG  52   6.215  -6.030   1.887
  354    HG3  ARG  52           1HG      ARG  52   7.813  -6.781   2.021
  355    HD2  ARG  52           2HD      ARG  52   7.682  -6.717   4.444
  356    HD3  ARG  52           1HD      ARG  52   6.132  -5.890   4.367
  357    HE   ARG  52           HE       ARG  52   5.768  -8.210   2.981
  358   HH11  ARG  52          1HH1      ARG  52   6.615  -7.331   6.306
  359   HH12  ARG  52          2HH1      ARG  52   6.078  -8.775   6.997
  360   HH21  ARG  52          1HH2      ARG  52   4.996 -10.239   3.936
  361   HH22  ARG  52          2HH2      ARG  52   5.160 -10.483   5.609
  362    H    GLN  53           H        GLN  53  10.493  -3.660   1.648
  363    HA   GLN  53           HA       GLN  53  11.611  -4.855  -0.685
  364    HB2  GLN  53           2HB      GLN  53  12.504  -2.885   0.571
  365    HB3  GLN  53           1HB      GLN  53  12.931  -3.972   1.879
  366    HG2  GLN  53           2HG      GLN  53  14.399  -5.197   0.287
  367    HG3  GLN  53           1HG      GLN  53  14.027  -3.947  -0.904
  368   HE21  GLN  53          1HE2      GLN  53  13.968  -1.826   1.148
  369   HE22  GLN  53          2HE2      GLN  53  15.616  -1.544   1.549
  370    H    CYS  54           H        CYS  54  11.782  -7.035  -0.880
  371    HA   CYS  54           HA       CYS  54  12.230  -8.550   1.571
  372    HB2  CYS  54           2HB      CYS  54  10.793  -9.385  -0.966
  373    HB3  CYS  54           1HB      CYS  54  11.111 -10.448   0.398
  Start of MODEL   19
    1    H1   ASP   1           1HT      ASP   1   8.344  -5.718 -10.952
    2    H2   ASP   1           2HT      ASP   1   9.402  -4.846  -9.980
    3    H3   ASP   1           3HT      ASP   1   9.550  -6.498 -10.083
    4    HA   ASP   1           HA       ASP   1  10.178  -6.369 -12.389
    5    HB2  ASP   1           2HB      ASP   1  10.119  -3.363 -11.947
    6    HB3  ASP   1           1HB      ASP   1  10.648  -4.186 -13.405
    7    H    GLY   2           H        GLY   2  12.110  -7.198 -11.985
    8    HA2  GLY   2           2HA      GLY   2  14.376  -7.194 -11.607
    9    HA3  GLY   2           1HA      GLY   2  14.272  -5.499 -11.151
   10    H    VAL   3           H        VAL   3  13.121  -5.145  -9.050
   11    HA   VAL   3           HA       VAL   3  14.381  -6.860  -7.077
   12    HB   VAL   3           HB       VAL   3  14.690  -4.387  -6.928
   13   HG11  VAL   3          1HG1      VAL   3  12.601  -3.597  -7.783
   14   HG12  VAL   3          2HG1      VAL   3  12.885  -2.941  -6.166
   15   HG13  VAL   3          3HG1      VAL   3  11.748  -4.268  -6.390
   16   HG21  VAL   3          3HG2      VAL   3  14.189  -4.124  -4.550
   17   HG22  VAL   3          1HG2      VAL   3  14.920  -5.691  -4.905
   18   HG23  VAL   3          2HG2      VAL   3  13.183  -5.575  -4.611
   19    H    LYS   4           H        LYS   4  13.202  -7.956  -5.484
   20    HA   LYS   4           HA       LYS   4  10.425  -8.370  -6.226
   21    HB2  LYS   4           2HB      LYS   4  12.223 -10.059  -4.444
   22    HB3  LYS   4           1HB      LYS   4  10.539 -10.415  -4.778
   23    HG2  LYS   4           2HG      LYS   4  11.844 -11.846  -6.170
   24    HG3  LYS   4           1HG      LYS   4  11.162 -10.605  -7.219
   25    HD2  LYS   4           2HD      LYS   4  13.310  -9.355  -7.017
   26    HD3  LYS   4           1HD      LYS   4  13.964 -10.721  -6.121
   27    HE2  LYS   4           2HE      LYS   4  13.627 -12.154  -8.085
   28    HE3  LYS   4           1HE      LYS   4  12.941 -10.778  -8.950
   29    HZ1  LYS   4           3HZ      LYS   4  15.284 -11.083  -9.517
   30    HZ2  LYS   4           1HZ      LYS   4  15.710 -10.914  -7.891
   31    HZ3  LYS   4           2HZ      LYS   4  15.035  -9.618  -8.717
   32    H    LEU   5           H        LEU   5   8.869  -7.567  -5.076
   33    HA   LEU   5           HA       LEU   5   9.575  -6.468  -2.458
   34    HB2  LEU   5           2HB      LEU   5   7.357  -5.495  -4.269
   35    HB3  LEU   5           1HB      LEU   5   8.001  -4.759  -2.812
   36    HG   LEU   5           HG       LEU   5   9.568  -5.035  -5.372
   37   HD11  LEU   5          1HD1      LEU   5   7.713  -3.524  -5.695
   38   HD12  LEU   5          2HD1      LEU   5   9.237  -2.637  -5.621
   39   HD13  LEU   5          3HD1      LEU   5   8.153  -2.645  -4.231
   40   HD21  LEU   5          3HD2      LEU   5  10.118  -3.544  -2.810
   41   HD22  LEU   5          1HD2      LEU   5  11.077  -3.422  -4.289
   42   HD23  LEU   5          2HD2      LEU   5  10.983  -4.956  -3.434
   43    H    CYS   6           H        CYS   6   7.791  -6.396  -0.972
   44    HA   CYS   6           HA       CYS   6   5.843  -8.564  -1.363
   45    HB2  CYS   6           2HB      CYS   6   7.184  -7.759   1.237
   46    HB3  CYS   6           1HB      CYS   6   6.067  -9.093   1.016
   47    H    ASP   7           H        ASP   7   3.865  -7.727  -1.422
   48    HA   ASP   7           HA       ASP   7   3.324  -5.014  -0.681
   49    HB2  ASP   7           2HB      ASP   7   1.521  -7.240  -1.673
   50    HB3  ASP   7           1HB      ASP   7   0.941  -5.623  -1.335
   51    H    VAL   8           H        VAL   8   3.271  -4.540   1.412
   52    HA   VAL   8           HA       VAL   8   1.981  -6.409   3.258
   53    HB   VAL   8           HB       VAL   8   3.821  -4.074   3.885
   54   HG11  VAL   8          1HG1      VAL   8   2.304  -4.543   5.719
   55   HG12  VAL   8          2HG1      VAL   8   3.943  -5.043   6.146
   56   HG13  VAL   8          3HG1      VAL   8   2.745  -6.249   5.677
   57   HG21  VAL   8          3HG2      VAL   8   4.414  -7.032   3.905
   58   HG22  VAL   8          1HG2      VAL   8   5.521  -5.754   4.401
   59   HG23  VAL   8          2HG2      VAL   8   5.001  -5.871   2.717
   60    HA   PRO   9           HA       PRO   9  -1.381  -3.450   3.127
   61    HB2  PRO   9           2HB      PRO   9  -2.903  -4.624   5.050
   62    HB3  PRO   9           1HB      PRO   9  -2.832  -5.208   3.384
   63    HG2  PRO   9           2HG      PRO   9  -1.407  -6.227   5.809
   64    HG3  PRO   9           1HG      PRO   9  -2.177  -7.137   4.499
   65    HD2  PRO   9           2HD      PRO   9   0.486  -6.768   4.639
   66    HD3  PRO   9           1HD      PRO   9  -0.376  -6.875   3.089
   67    H    SER  10           H        SER  10  -1.499  -1.542   4.138
   68    HA   SER  10           HA       SER  10  -0.314  -1.308   6.757
   69    HB2  SER  10           2HB      SER  10  -1.027   0.682   4.629
   70    HB3  SER  10           1HB      SER  10  -0.292   1.097   6.182
   71    HG   SER  10           HG       SER  10   1.160   0.745   4.318
   72    H    GLY  11           H        GLY  11  -1.460  -0.856   8.504
   73    HA2  GLY  11           2HA      GLY  11  -4.335  -0.517   8.338
   74    HA3  GLY  11           1HA      GLY  11  -3.378  -0.708   9.805
   75    H    THR  12           H        THR  12  -1.662   1.449   8.274
   76    HA   THR  12           HA       THR  12  -2.615   3.680   9.715
   77    HB   THR  12           HB       THR  12  -0.676   4.728   8.340
   78    HG1  THR  12           1HG      THR  12   0.727   2.814   7.695
   79   HG21  THR  12          3HG2      THR  12   0.987   3.651   9.802
   80   HG22  THR  12          1HG2      THR  12  -0.160   2.361  10.160
   81   HG23  THR  12          2HG2      THR  12  -0.490   4.005  10.701
   82    H    TRP  13           H        TRP  13  -2.984   2.416   6.530
   83    HA   TRP  13           HA       TRP  13  -4.138   4.882   5.501
   84    HB2  TRP  13           2HB      TRP  13  -2.714   3.562   3.981
   85    HB3  TRP  13           1HB      TRP  13  -3.764   2.168   4.201
   86    HD1  TRP  13           HD       TRP  13  -6.163   2.229   2.978
   87    HE1  TRP  13           1HE      TRP  13  -7.018   3.614   0.960
   88    HE3  TRP  13           3HE      TRP  13  -2.521   5.811   2.786
   89    HZ2  TRP  13           2HZ      TRP  13  -6.253   5.844  -0.499
   90    HZ3  TRP  13           3HZ      TRP  13  -2.659   7.534   1.037
   91    HH2  TRP  13           HH       TRP  13  -4.492   7.548  -0.574
   92    H    SER  14           H        SER  14  -6.297   5.154   5.271
   93    HA   SER  14           HA       SER  14  -7.972   3.168   6.580
   94    HB2  SER  14           2HB      SER  14  -8.520   6.061   5.954
   95    HB3  SER  14           1HB      SER  14  -9.505   4.991   6.955
   96    HG   SER  14           HG       SER  14  -7.098   4.820   7.907
   97    H    GLY  15           H        GLY  15  -8.873   1.789   5.152
   98    HA2  GLY  15           2HA      GLY  15 -10.633   1.198   3.818
   99    HA3  GLY  15           1HA      GLY  15 -10.891   2.886   3.453
  100    H    HIS  16           H        HIS  16 -10.775   3.289   1.430
  101    HA   HIS  16           HA       HIS  16  -9.767   1.318  -0.424
  102    HB2  HIS  16           2HB      HIS  16 -12.017   2.184  -0.718
  103    HB3  HIS  16           1HB      HIS  16 -11.408   3.825  -0.771
  104    HD1  HIS  16           1HD      HIS  16 -11.844   0.755  -2.917
  105    HD2  HIS  16           2HD      HIS  16 -10.386   4.639  -3.230
  106    HE1  HIS  16           1HE      HIS  16 -11.594   1.198  -5.360
  107    H    CYS  17           H        CYS  17  -8.271   1.637  -1.950
  108    HA   CYS  17           HA       CYS  17  -6.581   4.044  -1.795
  109    HB2  CYS  17           2HB      CYS  17  -5.496   1.847  -1.246
  110    HB3  CYS  17           1HB      CYS  17  -5.890   1.299  -2.866
  111    H    GLY  18           H        GLY  18  -7.336   5.357  -3.372
  112    HA2  GLY  18           2HA      GLY  18  -7.737   4.156  -6.030
  113    HA3  GLY  18           1HA      GLY  18  -8.458   5.680  -5.512
  114    H    SER  19           H        SER  19  -6.066   6.577  -4.178
  115    HA   SER  19           HA       SER  19  -4.587   7.425  -6.492
  116    HB2  SER  19           2HB      SER  19  -3.795   9.110  -4.699
  117    HB3  SER  19           1HB      SER  19  -5.456   9.237  -5.296
  118    HG   SER  19           HG       SER  19  -5.739   9.250  -3.169
  119    H    SER  20           H        SER  20  -2.917   6.129  -6.907
  120    HA   SER  20           HA       SER  20  -1.721   4.458  -4.946
  121    HB2  SER  20           2HB      SER  20  -0.831   5.070  -7.767
  122    HB3  SER  20           1HB      SER  20  -0.289   3.712  -6.774
  123    HG   SER  20           HG       SER  20  -2.955   3.779  -6.787
  124    H    SER  21           H        SER  21  -0.877   7.518  -6.422
  125    HA   SER  21           HA       SER  21   1.746   7.632  -5.363
  126    HB2  SER  21           2HB      SER  21   1.065   9.042  -7.278
  127    HB3  SER  21           1HB      SER  21  -0.081   9.884  -6.242
  128    HG   SER  21           HG       SER  21   2.732   9.826  -5.844
  129    H    LYS  22           H        LYS  22  -1.416   8.726  -4.213
  130    HA   LYS  22           HA       LYS  22  -0.400  10.018  -1.900
  131    HB2  LYS  22           2HB      LYS  22  -3.137   8.912  -2.497
  132    HB3  LYS  22           1HB      LYS  22  -2.739   9.801  -1.037
  133    HG2  LYS  22           2HG      LYS  22  -2.458  10.894  -3.826
  134    HG3  LYS  22           1HG      LYS  22  -3.849  11.169  -2.775
  135    HD2  LYS  22           2HD      LYS  22  -2.359  12.226  -1.124
  136    HD3  LYS  22           1HD      LYS  22  -0.993  11.985  -2.209
  137    HE2  LYS  22           2HE      LYS  22  -3.455  13.612  -2.804
  138    HE3  LYS  22           1HE      LYS  22  -1.894  14.267  -2.329
  139    HZ1  LYS  22           3HZ      LYS  22  -2.144  14.404  -4.699
  140    HZ2  LYS  22           1HZ      LYS  22  -2.485  12.764  -4.830
  141    HZ3  LYS  22           2HZ      LYS  22  -0.954  13.261  -4.363
  142    H    CYS  23           H        CYS  23  -1.627   6.797  -2.527
  143    HA   CYS  23           HA       CYS  23  -1.494   5.634  -0.043
  144    HB2  CYS  23           2HB      CYS  23  -2.391   4.443  -1.903
  145    HB3  CYS  23           1HB      CYS  23  -0.901   4.600  -2.808
  146    H    SER  24           H        SER  24   1.140   5.747  -2.468
  147    HA   SER  24           HA       SER  24   3.028   4.740  -0.629
  148    HB2  SER  24           2HB      SER  24   4.671   5.580  -2.430
  149    HB3  SER  24           1HB      SER  24   3.581   4.253  -2.823
  150    HG   SER  24           HG       SER  24   2.359   5.594  -4.046
  151    H    GLN  25           H        GLN  25   2.387   8.054  -1.665
  152    HA   GLN  25           HA       GLN  25   4.496   9.095  -0.206
  153    HB2  GLN  25           2HB      GLN  25   1.874  10.379  -0.975
  154    HB3  GLN  25           1HB      GLN  25   3.160  11.258  -0.165
  155    HG2  GLN  25           2HG      GLN  25   3.411   9.879  -2.825
  156    HG3  GLN  25           1HG      GLN  25   3.146  11.606  -2.592
  157   HE21  GLN  25          1HE2      GLN  25   4.808  12.850  -1.784
  158   HE22  GLN  25          2HE2      GLN  25   6.441  12.326  -1.786
  159    H    GLN  26           H        GLN  26   1.131   8.513   0.867
  160    HA   GLN  26           HA       GLN  26   1.461   9.737   3.439
  161    HB2  GLN  26           2HB      GLN  26  -0.752   9.280   2.272
  162    HB3  GLN  26           1HB      GLN  26  -0.532   7.589   2.686
  163    HG2  GLN  26           2HG      GLN  26  -0.458   8.249   5.084
  164    HG3  GLN  26           1HG      GLN  26  -0.842   9.895   4.587
  165   HE21  GLN  26          1HE2      GLN  26  -2.061   6.725   5.122
  166   HE22  GLN  26          2HE2      GLN  26  -3.728   7.096   4.835
  167    H    CYS  27           H        CYS  27   1.665   6.404   2.346
  168    HA   CYS  27           HA       CYS  27   2.007   5.263   4.904
  169    HB2  CYS  27           2HB      CYS  27   1.191   4.081   2.907
  170    HB3  CYS  27           1HB      CYS  27   2.757   4.283   2.145
  171    H    LYS  28           H        LYS  28   4.251   6.226   2.365
  172    HA   LYS  28           HA       LYS  28   6.635   5.451   3.693
  173    HB2  LYS  28           2HB      LYS  28   6.359   5.465   1.304
  174    HB3  LYS  28           1HB      LYS  28   5.993   7.171   1.335
  175    HG2  LYS  28           2HG      LYS  28   8.264   7.695   1.838
  176    HG3  LYS  28           1HG      LYS  28   8.656   5.978   2.026
  177    HD2  LYS  28           2HD      LYS  28   9.320   6.715  -0.222
  178    HD3  LYS  28           1HD      LYS  28   7.956   5.576  -0.263
  179    HE2  LYS  28           2HE      LYS  28   7.690   7.396  -1.852
  180    HE3  LYS  28           1HE      LYS  28   6.402   7.356  -0.659
  181    HZ1  LYS  28           3HZ      LYS  28   8.733   9.196  -0.670
  182    HZ2  LYS  28           1HZ      LYS  28   7.526   9.197   0.508
  183    HZ3  LYS  28           2HZ      LYS  28   7.151   9.575  -1.086
  184    H    ASP  29           H        ASP  29   4.646   8.281   3.665
  185    HA   ASP  29           HA       ASP  29   6.577  10.057   4.852
  186    HB2  ASP  29           2HB      ASP  29   4.687  10.986   3.613
  187    HB3  ASP  29           1HB      ASP  29   3.564  10.184   4.688
  188    H    ARG  30           H        ARG  30   4.038   7.895   5.915
  189    HA   ARG  30           HA       ARG  30   4.008   8.627   8.564
  190    HB2  ARG  30           2HB      ARG  30   2.209   7.468   7.449
  191    HB3  ARG  30           1HB      ARG  30   3.240   6.078   7.171
  192    HG2  ARG  30           2HG      ARG  30   1.716   5.687   8.957
  193    HG3  ARG  30           1HG      ARG  30   3.406   5.715   9.504
  194    HD2  ARG  30           2HD      ARG  30   1.912   6.898  11.080
  195    HD3  ARG  30           1HD      ARG  30   3.131   7.956  10.381
  196    HE   ARG  30           HE       ARG  30   0.807   8.096   8.820
  197   HH11  ARG  30          1HH1      ARG  30   1.932   9.051  12.038
  198   HH12  ARG  30          2HH1      ARG  30   0.854  10.351  12.178
  199   HH21  ARG  30          1HH2      ARG  30  -0.650   9.906   9.013
  200   HH22  ARG  30          2HH2      ARG  30  -0.635  10.859  10.423
  201    H    GLU  31           H        GLU  31   5.366   5.523   7.256
  202    HA   GLU  31           HA       GLU  31   7.852   5.722   8.665
  203    HB2  GLU  31           2HB      GLU  31   7.525   4.239  10.566
  204    HB3  GLU  31           1HB      GLU  31   6.424   5.605  10.684
  205    HG2  GLU  31           2HG      GLU  31   4.562   4.232   9.961
  206    HG3  GLU  31           1HG      GLU  31   5.643   2.890   9.628
  207    H    HIS  32           H        HIS  32   6.366   4.382   6.275
  208    HA   HIS  32           HA       HIS  32   6.900   1.671   7.071
  209    HB2  HIS  32           2HB      HIS  32   5.197   2.577   4.781
  210    HB3  HIS  32           1HB      HIS  32   5.537   0.891   5.161
  211    HD1  HIS  32           1HD      HIS  32   3.988  -0.189   6.896
  212    HD2  HIS  32           2HD      HIS  32   3.758   3.957   6.868
  213    HE1  HIS  32           1HE      HIS  32   2.105   0.414   8.445
  214    H    PHE  33           H        PHE  33   7.127   2.618   3.631
  215    HA   PHE  33           HA       PHE  33   9.863   1.600   3.718
  216    HB2  PHE  33           2HB      PHE  33   7.750   0.365   1.927
  217    HB3  PHE  33           1HB      PHE  33   9.449  -0.066   1.973
  218    HD1  PHE  33           1HD      PHE  33  10.342  -1.011   4.205
  219    HD2  PHE  33           2HD      PHE  33   6.211  -0.771   3.222
  220    HE1  PHE  33           1HE      PHE  33   9.842  -2.715   5.901
  221    HE2  PHE  33           2HE      PHE  33   5.700  -2.471   4.917
  222    HZ   PHE  33           HZ       PHE  33   7.511  -3.444   6.271
  223    H    ALA  34           H        ALA  34  10.938   1.840   1.589
  224    HA   ALA  34           HA       ALA  34  10.431   4.417   0.481
  225    HB1  ALA  34           1HB      ALA  34  12.697   3.459   0.637
  226    HB2  ALA  34           2HB      ALA  34  12.298   3.958  -1.006
  227    HB3  ALA  34           3HB      ALA  34  12.253   2.251  -0.571
  228    H    TYR  35           H        TYR  35   9.723   1.162  -0.516
  229    HA   TYR  35           HA       TYR  35   8.365   2.091  -2.966
  230    HB2  TYR  35           2HB      TYR  35   8.646  -0.726  -1.853
  231    HB3  TYR  35           1HB      TYR  35   8.031  -0.291  -3.432
  232    HD1  TYR  35           1HD      TYR  35   9.587   0.380  -5.215
  233    HD2  TYR  35           2HD      TYR  35  10.983  -0.844  -1.403
  234    HE1  TYR  35           1HE      TYR  35  11.830   0.005  -6.160
  235    HE2  TYR  35           2HE      TYR  35  13.235  -1.204  -2.325
  236    HH   TYR  35           HH       TYR  35  14.201  -0.082  -5.325
  237    H    GLY  36           H        GLY  36   7.605   2.626  -0.097
  238    HA2  GLY  36           2HA      GLY  36   5.643   0.829   0.721
  239    HA3  GLY  36           1HA      GLY  36   6.055   2.346   1.463
  240    H    GLY  37           H        GLY  37   4.399   1.224  -1.480
  241    HA2  GLY  37           2HA      GLY  37   1.892   1.466  -0.614
  242    HA3  GLY  37           1HA      GLY  37   2.255   3.125  -0.964
  243    H    ALA  38           H        ALA  38   0.816   0.523  -2.041
  244    HA   ALA  38           HA       ALA  38   0.569   1.596  -4.686
  245    HB1  ALA  38           1HB      ALA  38   1.388  -1.263  -4.147
  246    HB2  ALA  38           2HB      ALA  38   2.363  -0.042  -4.965
  247    HB3  ALA  38           3HB      ALA  38   0.871  -0.626  -5.709
  248    H    CYS  39           H        CYS  39  -1.525   1.128  -5.449
  249    HA   CYS  39           HA       CYS  39  -3.364   0.197  -3.470
  250    HB2  CYS  39           2HB      CYS  39  -3.808   0.895  -6.389
  251    HB3  CYS  39           1HB      CYS  39  -5.081   0.595  -5.215
  252    H    HIS  40           H        HIS  40  -3.853  -1.854  -3.140
  253    HA   HIS  40           HA       HIS  40  -3.444  -3.763  -5.324
  254    HB2  HIS  40           2HB      HIS  40  -1.576  -3.728  -3.616
  255    HB3  HIS  40           1HB      HIS  40  -2.757  -4.156  -2.397
  256    HD1  HIS  40           1HD      HIS  40  -0.118  -5.704  -3.855
  257    HD2  HIS  40           2HD      HIS  40  -4.144  -6.734  -3.707
  258    HE1  HIS  40           1HE      HIS  40  -0.216  -8.214  -4.147
  259    H    TYR  41           H        TYR  41  -5.191  -5.042  -5.583
  260    HA   TYR  41           HA       TYR  41  -7.542  -4.493  -4.142
  261    HB2  TYR  41           2HB      TYR  41  -7.682  -5.219  -6.463
  262    HB3  TYR  41           1HB      TYR  41  -7.014  -6.794  -6.032
  263    HD1  TYR  41           1HD      TYR  41  -9.942  -4.563  -5.567
  264    HD2  TYR  41           2HD      TYR  41  -8.435  -8.521  -5.147
  265    HE1  TYR  41           1HE      TYR  41 -12.190  -5.360  -5.066
  266    HE2  TYR  41           2HE      TYR  41 -10.679  -9.335  -4.657
  267    HH   TYR  41           HH       TYR  41 -12.801  -8.470  -3.813
  268    H    GLN  42           H        GLN  42  -8.432  -5.333  -2.488
  269    HA   GLN  42           HA       GLN  42  -7.550  -7.895  -1.455
  270    HB2  GLN  42           2HB      GLN  42  -6.528  -6.060  -0.135
  271    HB3  GLN  42           1HB      GLN  42  -8.117  -5.345   0.082
  272    HG2  GLN  42           2HG      GLN  42  -8.840  -7.296   1.330
  273    HG3  GLN  42           1HG      GLN  42  -7.264  -8.044   1.110
  274   HE21  GLN  42          1HE2      GLN  42  -9.078  -5.589   2.741
  275   HE22  GLN  42          2HE2      GLN  42  -7.883  -5.229   3.926
  276    H    PHE  43           H        PHE  43  -9.418  -8.851  -0.300
  277    HA   PHE  43           HA       PHE  43 -11.822  -7.945  -1.514
  278    HB2  PHE  43           2HB      PHE  43 -11.330 -10.388  -1.244
  279    HB3  PHE  43           1HB      PHE  43 -11.447 -10.186   0.500
  280    HD1  PHE  43           2HD      PHE  43 -13.330 -10.025  -2.665
  281    HD2  PHE  43           1HD      PHE  43 -13.547 -10.193   1.581
  282    HE1  PHE  43           2HE      PHE  43 -15.744 -10.423  -2.808
  283    HE2  PHE  43           1HE      PHE  43 -15.961 -10.591   1.441
  284    HZ   PHE  43           HZ       PHE  43 -17.061 -10.711  -0.758
  285    HA   PRO  44           HA       PRO  44 -13.624  -7.357  -1.463
  286    HB2  PRO  44           2HB      PRO  44 -15.692  -5.793  -0.994
  287    HB3  PRO  44           1HB      PRO  44 -15.553  -7.360  -0.187
  288    HG2  PRO  44           2HG      PRO  44 -15.155  -4.629   0.917
  289    HG3  PRO  44           1HG      PRO  44 -15.724  -6.094   1.729
  290    HD2  PRO  44           2HD      PRO  44 -13.073  -5.010   1.718
  291    HD3  PRO  44           1HD      PRO  44 -13.617  -6.526   2.462
  292    H    SER  45           H        SER  45 -11.854  -4.827  -0.213
  293    HA   SER  45           HA       SER  45 -12.457  -3.131  -2.498
  294    HB2  SER  45           2HB      SER  45 -12.029  -1.176  -0.900
  295    HB3  SER  45           1HB      SER  45 -13.559  -2.043  -0.739
  296    HG   SER  45           HG       SER  45 -12.935  -2.106   1.255
  297    H    VAL  46           H        VAL  46 -10.774  -1.908  -3.327
  298    HA   VAL  46           HA       VAL  46  -8.145  -2.979  -3.160
  299    HB   VAL  46           HB       VAL  46  -9.028  -0.304  -4.304
  300   HG11  VAL  46          1HG1      VAL  46  -6.627  -0.453  -3.980
  301   HG12  VAL  46          2HG1      VAL  46  -7.032  -0.459  -5.697
  302   HG13  VAL  46          3HG1      VAL  46  -6.583  -1.963  -4.891
  303   HG21  VAL  46          3HG2      VAL  46 -10.273  -2.171  -5.315
  304   HG22  VAL  46          1HG2      VAL  46  -8.744  -2.948  -5.724
  305   HG23  VAL  46          2HG2      VAL  46  -9.178  -1.409  -6.470
  306    H    LYS  47           H        LYS  47  -6.606  -2.517  -1.686
  307    HA   LYS  47           HA       LYS  47  -6.942  -0.055  -0.148
  308    HB2  LYS  47           2HB      LYS  47  -7.735  -1.984   1.176
  309    HB3  LYS  47           1HB      LYS  47  -6.177  -2.766   0.988
  310    HG2  LYS  47           2HG      LYS  47  -5.096  -1.116   2.328
  311    HG3  LYS  47           1HG      LYS  47  -6.530  -0.097   2.328
  312    HD2  LYS  47           2HD      LYS  47  -6.373  -2.839   3.557
  313    HD3  LYS  47           1HD      LYS  47  -6.145  -1.318   4.436
  314    HE2  LYS  47           2HE      LYS  47  -8.435  -0.637   3.678
  315    HE3  LYS  47           1HE      LYS  47  -8.638  -2.256   3.020
  316    HZ1  LYS  47           3HZ      LYS  47  -9.617  -2.009   5.228
  317    HZ2  LYS  47           1HZ      LYS  47  -8.109  -1.638   5.870
  318    HZ3  LYS  47           2HZ      LYS  47  -8.411  -3.170   5.233
  319    H    CYS  48           H        CYS  48  -4.848   0.474   1.067
  320    HA   CYS  48           HA       CYS  48  -2.782   0.631  -0.913
  321    HB2  CYS  48           2HB      CYS  48  -3.525   2.600   0.336
  322    HB3  CYS  48           1HB      CYS  48  -3.098   1.818   1.844
  323    H    PHE  49           H        PHE  49  -1.421  -0.998  -1.041
  324    HA   PHE  49           HA       PHE  49  -0.476  -2.259   1.415
  325    HB2  PHE  49           2HB      PHE  49  -0.490  -3.309  -1.434
  326    HB3  PHE  49           1HB      PHE  49   0.423  -4.024  -0.131
  327    HD1  PHE  49           2HD      PHE  49  -3.123  -2.863  -0.525
  328    HD2  PHE  49           1HD      PHE  49  -0.459  -5.946   0.680
  329    HE1  PHE  49           2HE      PHE  49  -5.031  -4.246   0.134
  330    HE2  PHE  49           1HE      PHE  49  -2.363  -7.335   1.350
  331    HZ   PHE  49           HZ       PHE  49  -4.657  -6.487   1.087
  332    H    CYS  50           H        CYS  50   1.458  -1.842   1.974
  333    HA   CYS  50           HA       CYS  50   3.024  -0.189   0.210
  334    HB2  CYS  50           2HB      CYS  50   3.214  -0.709   3.170
  335    HB3  CYS  50           1HB      CYS  50   4.221   0.430   2.267
  336    H    LYS  51           H        LYS  51   4.413  -1.123  -0.945
  337    HA   LYS  51           HA       LYS  51   5.204  -3.827  -0.621
  338    HB2  LYS  51           2HB      LYS  51   6.294  -1.717  -2.465
  339    HB3  LYS  51           1HB      LYS  51   6.475  -3.452  -2.635
  340    HG2  LYS  51           2HG      LYS  51   4.069  -3.687  -3.005
  341    HG3  LYS  51           1HG      LYS  51   3.870  -1.946  -2.821
  342    HD2  LYS  51           2HD      LYS  51   5.532  -3.307  -4.949
  343    HD3  LYS  51           1HD      LYS  51   3.921  -2.633  -5.190
  344    HE2  LYS  51           2HE      LYS  51   4.777  -0.398  -4.636
  345    HE3  LYS  51           1HE      LYS  51   6.378  -1.076  -4.359
  346    HZ1  LYS  51           3HZ      LYS  51   6.425  -1.749  -6.707
  347    HZ2  LYS  51           1HZ      LYS  51   6.244  -0.087  -6.533
  348    HZ3  LYS  51           2HZ      LYS  51   4.928  -1.054  -6.944
  349    H    ARG  52           H        ARG  52   6.722  -4.433   0.725
  350    HA   ARG  52           HA       ARG  52   8.907  -2.604   1.320
  351    HB2  ARG  52           2HB      ARG  52   9.676  -4.280   2.933
  352    HB3  ARG  52           1HB      ARG  52   8.027  -3.776   3.249
  353    HG2  ARG  52           2HG      ARG  52   7.156  -5.813   2.626
  354    HG3  ARG  52           1HG      ARG  52   8.577  -6.229   1.661
  355    HD2  ARG  52           2HD      ARG  52   8.598  -5.938   4.655
  356    HD3  ARG  52           1HD      ARG  52   8.442  -7.483   3.807
  357    HE   ARG  52           HE       ARG  52  10.635  -6.330   2.698
  358   HH11  ARG  52          1HH1      ARG  52   9.806  -7.134   6.053
  359   HH12  ARG  52          2HH1      ARG  52  11.433  -7.398   6.494
  360   HH21  ARG  52          1HH2      ARG  52  12.792  -6.673   3.318
  361   HH22  ARG  52          2HH2      ARG  52  13.175  -7.164   4.906
  362    H    GLN  53           H        GLN  53  11.073  -3.332   1.032
  363    HA   GLN  53           HA       GLN  53  11.368  -4.821  -1.413
  364    HB2  GLN  53           2HB      GLN  53  12.680  -2.754  -0.872
  365    HB3  GLN  53           1HB      GLN  53  13.463  -3.660   0.410
  366    HG2  GLN  53           2HG      GLN  53  14.305  -5.248  -1.305
  367    HG3  GLN  53           1HG      GLN  53  13.617  -4.194  -2.530
  368   HE21  GLN  53          1HE2      GLN  53  15.638  -3.761  -3.434
  369   HE22  GLN  53          2HE2      GLN  53  16.776  -2.739  -2.652
  370    H    CYS  54           H        CYS  54  11.946  -6.946  -1.515
  371    HA   CYS  54           HA       CYS  54  12.841  -8.169   0.968
  372    HB2  CYS  54           2HB      CYS  54  10.970  -9.335  -1.124
  373    HB3  CYS  54           1HB      CYS  54  11.574 -10.195   0.291
  Start of MODEL   20
    1    H1   ASP   1           1HT      ASP   1  16.084  -1.047  -9.512
    2    H2   ASP   1           2HT      ASP   1  15.138  -2.324  -8.993
    3    H3   ASP   1           3HT      ASP   1  15.402  -2.108 -10.638
    4    HA   ASP   1           HA       ASP   1  17.770  -2.556 -10.333
    5    HB2  ASP   1           2HB      ASP   1  16.866  -3.243  -7.525
    6    HB3  ASP   1           1HB      ASP   1  18.398  -3.732  -8.231
    7    H    GLY   2           H        GLY   2  15.536  -4.496  -8.393
    8    HA2  GLY   2           2HA      GLY   2  14.615  -6.345 -10.059
    9    HA3  GLY   2           1HA      GLY   2  16.295  -6.839  -9.861
   10    H    VAL   3           H        VAL   3  14.127  -5.358  -7.532
   11    HA   VAL   3           HA       VAL   3  14.976  -7.432  -5.683
   12    HB   VAL   3           HB       VAL   3  15.406  -5.113  -5.013
   13   HG11  VAL   3          1HG1      VAL   3  12.441  -4.703  -5.148
   14   HG12  VAL   3          2HG1      VAL   3  13.679  -3.932  -6.143
   15   HG13  VAL   3          3HG1      VAL   3  13.588  -3.580  -4.420
   16   HG21  VAL   3          3HG2      VAL   3  13.298  -6.427  -3.305
   17   HG22  VAL   3          1HG2      VAL   3  14.384  -5.139  -2.778
   18   HG23  VAL   3          2HG2      VAL   3  15.041  -6.701  -3.239
   19    H    LYS   4           H        LYS   4  13.528  -8.678  -4.550
   20    HA   LYS   4           HA       LYS   4  10.963  -9.053  -5.813
   21    HB2  LYS   4           2HB      LYS   4  12.249 -10.485  -3.460
   22    HB3  LYS   4           1HB      LYS   4  10.690 -10.899  -4.125
   23    HG2  LYS   4           2HG      LYS   4  12.294 -12.499  -4.886
   24    HG3  LYS   4           1HG      LYS   4  11.827 -11.506  -6.262
   25    HD2  LYS   4           2HD      LYS   4  13.895 -10.272  -6.123
   26    HD3  LYS   4           1HD      LYS   4  14.312 -11.085  -4.615
   27    HE2  LYS   4           2HE      LYS   4  15.532 -12.006  -6.530
   28    HE3  LYS   4           1HE      LYS   4  14.498 -13.195  -5.748
   29    HZ1  LYS   4           3HZ      LYS   4  13.828 -11.722  -8.238
   30    HZ2  LYS   4           1HZ      LYS   4  12.900 -12.945  -7.527
   31    HZ3  LYS   4           2HZ      LYS   4  14.414 -13.280  -8.169
   32    H    LEU   5           H        LEU   5   9.426  -7.641  -5.236
   33    HA   LEU   5           HA       LEU   5   9.460  -6.698  -2.490
   34    HB2  LEU   5           2HB      LEU   5   7.755  -5.669  -4.771
   35    HB3  LEU   5           1HB      LEU   5   7.952  -5.029  -3.142
   36    HG   LEU   5           HG       LEU   5  10.244  -5.156  -5.086
   37   HD11  LEU   5          1HD1      LEU   5   8.496  -3.727  -6.014
   38   HD12  LEU   5          2HD1      LEU   5   9.887  -2.787  -5.475
   39   HD13  LEU   5          3HD1      LEU   5   8.424  -2.822  -4.501
   40   HD21  LEU   5          3HD2      LEU   5  11.204  -3.488  -3.561
   41   HD22  LEU   5          1HD2      LEU   5  10.863  -5.018  -2.752
   42   HD23  LEU   5          2HD2      LEU   5   9.786  -3.639  -2.522
   43    H    CYS   6           H        CYS   6   7.755  -6.861  -1.185
   44    HA   CYS   6           HA       CYS   6   5.707  -8.833  -1.945
   45    HB2  CYS   6           2HB      CYS   6   6.845  -8.266   0.800
   46    HB3  CYS   6           1HB      CYS   6   5.690  -9.530   0.385
   47    H    ASP   7           H        ASP   7   3.588  -8.337  -1.482
   48    HA   ASP   7           HA       ASP   7   3.030  -5.539  -1.081
   49    HB2  ASP   7           2HB      ASP   7   1.218  -7.878  -1.705
   50    HB3  ASP   7           1HB      ASP   7   0.669  -6.216  -1.585
   51    H    VAL   8           H        VAL   8   2.898  -4.788   0.873
   52    HA   VAL   8           HA       VAL   8   1.753  -6.440   3.029
   53    HB   VAL   8           HB       VAL   8   3.589  -4.029   3.217
   54   HG11  VAL   8          1HG1      VAL   8   2.625  -5.909   5.367
   55   HG12  VAL   8          2HG1      VAL   8   2.153  -4.222   5.161
   56   HG13  VAL   8          3HG1      VAL   8   3.817  -4.627   5.586
   57   HG21  VAL   8          3HG2      VAL   8   5.319  -5.588   3.917
   58   HG22  VAL   8          1HG2      VAL   8   4.752  -5.957   2.289
   59   HG23  VAL   8          2HG2      VAL   8   4.218  -6.942   3.655
   60    HA   PRO   9           HA       PRO   9  -1.741  -3.593   2.637
   61    HB2  PRO   9           2HB      PRO   9  -2.201  -4.516   5.431
   62    HB3  PRO   9           1HB      PRO   9  -3.331  -4.465   4.073
   63    HG2  PRO   9           2HG      PRO   9  -2.305  -6.766   4.884
   64    HG3  PRO   9           1HG      PRO   9  -2.521  -6.432   3.158
   65    HD2  PRO   9           2HD      PRO   9  -0.018  -6.407   4.789
   66    HD3  PRO   9           1HD      PRO   9  -0.276  -6.926   3.109
   67    H    SER  10           H        SER  10  -1.450  -1.472   2.874
   68    HA   SER  10           HA       SER  10   0.332  -0.312   4.690
   69    HB2  SER  10           2HB      SER  10  -1.918   1.033   3.209
   70    HB3  SER  10           1HB      SER  10  -0.380   1.742   3.718
   71    HG   SER  10           HG       SER  10   0.557   0.904   2.007
   72    H    GLY  11           H        GLY  11  -0.097  -0.526   6.816
   73    HA2  GLY  11           2HA      GLY  11  -2.704  -0.440   7.956
   74    HA3  GLY  11           1HA      GLY  11  -1.183  -0.418   8.840
   75    H    THR  12           H        THR  12  -0.392   1.978   7.191
   76    HA   THR  12           HA       THR  12  -1.670   3.890   8.938
   77    HB   THR  12           HB       THR  12   0.179   5.381   8.131
   78    HG1  THR  12           1HG      THR  12   0.925   4.669   6.318
   79   HG21  THR  12          3HG2      THR  12   0.914   2.703   9.331
   80   HG22  THR  12          1HG2      THR  12   0.410   4.138  10.211
   81   HG23  THR  12          2HG2      THR  12   1.959   4.120   9.361
   82    H    TRP  13           H        TRP  13  -2.681   2.660   6.283
   83    HA   TRP  13           HA       TRP  13  -3.516   5.186   5.081
   84    HB2  TRP  13           2HB      TRP  13  -2.388   3.766   3.431
   85    HB3  TRP  13           1HB      TRP  13  -3.422   2.408   3.872
   86    HD1  TRP  13           HD       TRP  13  -5.580   2.124   2.510
   87    HE1  TRP  13           1HE      TRP  13  -6.895   3.585   0.854
   88    HE3  TRP  13           3HE      TRP  13  -2.908   6.468   2.904
   89    HZ2  TRP  13           2HZ      TRP  13  -6.811   6.179  -0.164
   90    HZ3  TRP  13           3HZ      TRP  13  -3.604   8.396   1.548
   91    HH2  TRP  13           HH       TRP  13  -5.516   8.251   0.045
   92    H    SER  14           H        SER  14  -5.696   5.619   5.106
   93    HA   SER  14           HA       SER  14  -7.206   3.868   6.818
   94    HB2  SER  14           2HB      SER  14  -7.069   6.222   7.428
   95    HB3  SER  14           1HB      SER  14  -7.740   6.679   5.867
   96    HG   SER  14           HG       SER  14  -9.591   6.448   6.685
   97    H    GLY  15           H        GLY  15  -7.992   2.249   5.648
   98    HA2  GLY  15           2HA      GLY  15  -9.680   1.172   4.568
   99    HA3  GLY  15           1HA      GLY  15 -10.456   2.725   4.367
  100    H    HIS  16           H        HIS  16 -10.892   3.173   2.398
  101    HA   HIS  16           HA       HIS  16 -10.069   1.537   0.256
  102    HB2  HIS  16           2HB      HIS  16 -12.323   2.424   0.300
  103    HB3  HIS  16           1HB      HIS  16 -11.715   4.073   0.286
  104    HD1  HIS  16           1HD      HIS  16 -12.035   1.048  -1.989
  105    HD2  HIS  16           2HD      HIS  16 -11.223   5.118  -2.176
  106    HE1  HIS  16           1HE      HIS  16 -11.931   1.650  -4.456
  107    H    CYS  17           H        CYS  17  -8.638   1.764  -1.194
  108    HA   CYS  17           HA       CYS  17  -6.796   4.018  -1.150
  109    HB2  CYS  17           2HB      CYS  17  -6.020   1.612  -1.166
  110    HB3  CYS  17           1HB      CYS  17  -6.707   1.471  -2.776
  111    H    GLY  18           H        GLY  18  -7.911   5.648  -2.223
  112    HA2  GLY  18           2HA      GLY  18  -9.011   4.967  -4.834
  113    HA3  GLY  18           1HA      GLY  18  -9.311   6.465  -3.969
  114    H    SER  19           H        SER  19  -6.715   7.143  -3.296
  115    HA   SER  19           HA       SER  19  -5.570   7.634  -5.922
  116    HB2  SER  19           2HB      SER  19  -6.084   9.645  -4.622
  117    HB3  SER  19           1HB      SER  19  -5.097   9.051  -3.291
  118    HG   SER  19           HG       SER  19  -4.351  10.049  -5.787
  119    H    SER  20           H        SER  20  -4.154   6.184  -6.431
  120    HA   SER  20           HA       SER  20  -2.757   4.474  -4.757
  121    HB2  SER  20           2HB      SER  20  -1.931   5.383  -7.507
  122    HB3  SER  20           1HB      SER  20  -1.659   3.808  -6.755
  123    HG   SER  20           HG       SER  20  -3.537   3.204  -7.400
  124    H    SER  21           H        SER  21  -1.953   7.616  -6.141
  125    HA   SER  21           HA       SER  21   0.788   7.632  -5.435
  126    HB2  SER  21           2HB      SER  21  -0.147   9.063  -7.208
  127    HB3  SER  21           1HB      SER  21  -1.089   9.941  -6.010
  128    HG   SER  21           HG       SER  21   1.430  10.327  -6.810
  129    H    LYS  22           H        LYS  22  -2.148   8.809  -3.837
  130    HA   LYS  22           HA       LYS  22  -0.704  10.069  -1.741
  131    HB2  LYS  22           2HB      LYS  22  -3.604   9.315  -1.941
  132    HB3  LYS  22           1HB      LYS  22  -2.920  10.203  -0.596
  133    HG2  LYS  22           2HG      LYS  22  -2.925  11.124  -3.470
  134    HG3  LYS  22           1HG      LYS  22  -4.041  11.665  -2.220
  135    HD2  LYS  22           2HD      LYS  22  -1.033  12.048  -2.170
  136    HD3  LYS  22           1HD      LYS  22  -2.214  13.269  -2.621
  137    HE2  LYS  22           2HE      LYS  22  -2.040  11.936   0.086
  138    HE3  LYS  22           1HE      LYS  22  -1.435  13.541  -0.303
  139    HZ1  LYS  22           3HZ      LYS  22  -3.561  13.661   0.753
  140    HZ2  LYS  22           1HZ      LYS  22  -4.279  12.679  -0.412
  141    HZ3  LYS  22           2HZ      LYS  22  -3.707  14.205  -0.837
  142    H    CYS  23           H        CYS  23  -2.185   6.875  -2.130
  143    HA   CYS  23           HA       CYS  23  -1.974   6.263   0.609
  144    HB2  CYS  23           2HB      CYS  23  -2.605   4.071   0.101
  145    HB3  CYS  23           1HB      CYS  23  -3.361   5.010  -1.173
  146    H    SER  24           H        SER  24   0.156   5.700  -2.125
  147    HA   SER  24           HA       SER  24   2.081   4.244  -0.747
  148    HB2  SER  24           2HB      SER  24   3.527   4.978  -2.715
  149    HB3  SER  24           1HB      SER  24   2.060   4.072  -3.085
  150    HG   SER  24           HG       SER  24   1.201   5.733  -3.962
  151    H    GLN  25           H        GLN  25   1.947   7.700  -1.609
  152    HA   GLN  25           HA       GLN  25   4.360   8.423  -0.411
  153    HB2  GLN  25           2HB      GLN  25   3.257   9.894  -1.970
  154    HB3  GLN  25           1HB      GLN  25   1.861  10.046  -0.919
  155    HG2  GLN  25           2HG      GLN  25   3.151  11.292   0.691
  156    HG3  GLN  25           1HG      GLN  25   4.624  11.029  -0.240
  157   HE21  GLN  25          1HE2      GLN  25   3.240  13.507   0.573
  158   HE22  GLN  25          2HE2      GLN  25   2.993  14.395  -0.867
  159    H    GLN  26           H        GLN  26   1.072   8.332   0.968
  160    HA   GLN  26           HA       GLN  26   1.767   9.459   3.472
  161    HB2  GLN  26           2HB      GLN  26  -0.545   9.258   2.509
  162    HB3  GLN  26           1HB      GLN  26  -0.483   7.547   2.884
  163    HG2  GLN  26           2HG      GLN  26  -0.238   8.076   5.254
  164    HG3  GLN  26           1HG      GLN  26  -0.325   9.796   4.870
  165   HE21  GLN  26          1HE2      GLN  26  -2.067   6.866   5.209
  166   HE22  GLN  26          2HE2      GLN  26  -3.644   7.521   5.046
  167    H    CYS  27           H        CYS  27   1.424   6.133   2.392
  168    HA   CYS  27           HA       CYS  27   1.890   4.715   4.750
  169    HB2  CYS  27           2HB      CYS  27   1.053   3.794   2.639
  170    HB3  CYS  27           1HB      CYS  27   2.586   4.125   1.870
  171    H    LYS  28           H        LYS  28   4.097   5.708   2.217
  172    HA   LYS  28           HA       LYS  28   6.569   4.832   3.140
  173    HB2  LYS  28           2HB      LYS  28   6.051   5.425   0.883
  174    HB3  LYS  28           1HB      LYS  28   5.630   7.047   1.357
  175    HG2  LYS  28           2HG      LYS  28   7.997   7.471   1.865
  176    HG3  LYS  28           1HG      LYS  28   8.377   5.835   1.290
  177    HD2  LYS  28           2HD      LYS  28   7.378   6.337  -0.868
  178    HD3  LYS  28           1HD      LYS  28   6.939   7.945  -0.310
  179    HE2  LYS  28           2HE      LYS  28   9.730   6.877  -0.692
  180    HE3  LYS  28           1HE      LYS  28   8.830   7.996  -1.728
  181    HZ1  LYS  28           3HZ      LYS  28   9.733   8.565   1.055
  182    HZ2  LYS  28           1HZ      LYS  28   8.785   9.584   0.084
  183    HZ3  LYS  28           2HZ      LYS  28  10.347   9.202  -0.379
  184    H    ASP  29           H        ASP  29   5.108   8.078   3.211
  185    HA   ASP  29           HA       ASP  29   7.111   9.449   4.573
  186    HB2  ASP  29           2HB      ASP  29   5.369  10.598   3.342
  187    HB3  ASP  29           1HB      ASP  29   4.144   9.971   4.430
  188    H    ARG  30           H        ARG  30   4.338   7.642   5.810
  189    HA   ARG  30           HA       ARG  30   4.733   8.578   8.412
  190    HB2  ARG  30           2HB      ARG  30   2.526   8.070   7.741
  191    HB3  ARG  30           1HB      ARG  30   2.980   6.463   7.212
  192    HG2  ARG  30           2HG      ARG  30   1.767   6.310   9.222
  193    HG3  ARG  30           1HG      ARG  30   3.459   5.867   9.486
  194    HD2  ARG  30           2HD      ARG  30   3.837   8.156  10.425
  195    HD3  ARG  30           1HD      ARG  30   2.104   8.461  10.273
  196    HE   ARG  30           HE       ARG  30   2.752   6.081  11.760
  197   HH11  ARG  30          1HH1      ARG  30   2.174   9.567  12.053
  198   HH12  ARG  30          2HH1      ARG  30   1.858   9.487  13.729
  199   HH21  ARG  30          1HH2      ARG  30   2.307   6.030  14.056
  200   HH22  ARG  30          2HH2      ARG  30   1.929   7.483  14.865
  201    H    GLU  31           H        GLU  31   4.987   5.137   7.209
  202    HA   GLU  31           HA       GLU  31   7.257   4.726   9.018
  203    HB2  GLU  31           2HB      GLU  31   4.550   3.555   9.706
  204    HB3  GLU  31           1HB      GLU  31   6.063   2.971  10.367
  205    HG2  GLU  31           2HG      GLU  31   6.432   5.035  11.508
  206    HG3  GLU  31           1HG      GLU  31   5.049   5.786  10.727
  207    H    HIS  32           H        HIS  32   6.637   4.097   6.134
  208    HA   HIS  32           HA       HIS  32   6.906   1.241   6.489
  209    HB2  HIS  32           2HB      HIS  32   5.158   2.488   4.412
  210    HB3  HIS  32           1HB      HIS  32   5.741   0.834   4.271
  211    HD1  HIS  32           1HD      HIS  32   3.491   2.986   6.412
  212    HD2  HIS  32           2HD      HIS  32   4.487  -1.005   5.871
  213    HE1  HIS  32           1HE      HIS  32   1.849   1.676   7.781
  214    H    PHE  33           H        PHE  33   7.059   2.318   3.188
  215    HA   PHE  33           HA       PHE  33   9.930   1.708   3.275
  216    HB2  PHE  33           2HB      PHE  33   8.051   0.381   1.304
  217    HB3  PHE  33           1HB      PHE  33   9.743   0.005   1.598
  218    HD1  PHE  33           1HD      PHE  33  10.341  -0.958   3.924
  219    HD2  PHE  33           2HD      PHE  33   6.373  -0.789   2.396
  220    HE1  PHE  33           1HE      PHE  33   9.641  -2.653   5.560
  221    HE2  PHE  33           2HE      PHE  33   5.662  -2.485   4.030
  222    HZ   PHE  33           HZ       PHE  33   7.297  -3.417   5.623
  223    H    ALA  34           H        ALA  34  11.077   2.464   1.434
  224    HA   ALA  34           HA       ALA  34  10.034   4.909   0.383
  225    HB1  ALA  34           1HB      ALA  34  12.221   5.206  -0.612
  226    HB2  ALA  34           2HB      ALA  34  12.633   3.528  -0.270
  227    HB3  ALA  34           3HB      ALA  34  12.389   4.663   1.059
  228    H    TYR  35           H        TYR  35   9.626   1.816  -0.587
  229    HA   TYR  35           HA       TYR  35   9.543   2.364  -3.430
  230    HB2  TYR  35           2HB      TYR  35   8.893  -0.106  -1.818
  231    HB3  TYR  35           1HB      TYR  35   8.616   0.001  -3.551
  232    HD1  TYR  35           1HD      TYR  35  11.181  -0.164  -0.920
  233    HD2  TYR  35           2HD      TYR  35  10.438  -0.034  -5.101
  234    HE1  TYR  35           1HE      TYR  35  13.498  -0.821  -1.350
  235    HE2  TYR  35           2HE      TYR  35  12.760  -0.688  -5.543
  236    HH   TYR  35           HH       TYR  35  14.903  -0.624  -4.459
  237    H    GLY  36           H        GLY  36   7.549   2.853  -0.780
  238    HA2  GLY  36           2HA      GLY  36   5.409   3.626  -0.654
  239    HA3  GLY  36           1HA      GLY  36   5.426   3.767  -2.409
  240    H    GLY  37           H        GLY  37   3.549   2.821  -3.011
  241    HA2  GLY  37           2HA      GLY  37   3.236   0.050  -2.827
  242    HA3  GLY  37           1HA      GLY  37   2.186   0.886  -1.676
  243    H    ALA  38           H        ALA  38   0.641  -0.250  -3.194
  244    HA   ALA  38           HA       ALA  38  -0.329   1.738  -5.044
  245    HB1  ALA  38           1HB      ALA  38   0.268  -1.096  -5.912
  246    HB2  ALA  38           2HB      ALA  38   1.118   0.348  -6.460
  247    HB3  ALA  38           3HB      ALA  38  -0.580   0.113  -6.875
  248    H    CYS  39           H        CYS  39  -2.513   0.996  -5.852
  249    HA   CYS  39           HA       CYS  39  -4.018   0.009  -3.595
  250    HB2  CYS  39           2HB      CYS  39  -4.944   0.891  -6.341
  251    HB3  CYS  39           1HB      CYS  39  -5.984   0.563  -4.972
  252    H    HIS  40           H        HIS  40  -4.742  -2.042  -3.406
  253    HA   HIS  40           HA       HIS  40  -4.861  -3.710  -5.811
  254    HB2  HIS  40           2HB      HIS  40  -2.736  -4.083  -4.420
  255    HB3  HIS  40           1HB      HIS  40  -3.788  -4.635  -3.129
  256    HD1  HIS  40           1HD      HIS  40  -1.959  -5.791  -6.036
  257    HD2  HIS  40           2HD      HIS  40  -5.251  -7.062  -3.856
  258    HE1  HIS  40           1HE      HIS  40  -2.288  -8.212  -6.643
  259    H    TYR  41           H        TYR  41  -6.604  -5.204  -5.707
  260    HA   TYR  41           HA       TYR  41  -8.664  -4.394  -3.858
  261    HB2  TYR  41           2HB      TYR  41  -9.178  -4.884  -6.235
  262    HB3  TYR  41           1HB      TYR  41  -8.760  -6.574  -5.948
  263    HD1  TYR  41           1HD      TYR  41 -11.218  -3.928  -5.353
  264    HD2  TYR  41           2HD      TYR  41 -10.308  -8.026  -4.645
  265    HE1  TYR  41           1HE      TYR  41 -13.496  -4.300  -4.664
  266    HE2  TYR  41           2HE      TYR  41 -12.591  -8.423  -3.959
  267    HH   TYR  41           HH       TYR  41 -14.519  -7.262  -3.168
  268    H    GLN  42           H        GLN  42  -9.330  -5.394  -2.143
  269    HA   GLN  42           HA       GLN  42  -8.744  -8.161  -1.693
  270    HB2  GLN  42           2HB      GLN  42  -6.876  -6.935  -0.571
  271    HB3  GLN  42           1HB      GLN  42  -8.044  -5.928   0.265
  272    HG2  GLN  42           2HG      GLN  42  -8.871  -7.862   1.483
  273    HG3  GLN  42           1HG      GLN  42  -7.763  -8.913   0.609
  274   HE21  GLN  42          1HE2      GLN  42  -5.607  -8.902   1.149
  275   HE22  GLN  42          2HE2      GLN  42  -5.014  -8.166   2.593
  276    H    PHE  43           H        PHE  43 -10.287  -8.860   0.055
  277    HA   PHE  43           HA       PHE  43 -12.724  -7.537  -0.355
  278    HB2  PHE  43           2HB      PHE  43 -12.527  -9.992   0.042
  279    HB3  PHE  43           1HB      PHE  43 -12.031  -9.665   1.696
  280    HD1  PHE  43           2HD      PHE  43 -14.810  -9.517  -0.687
  281    HD2  PHE  43           1HD      PHE  43 -13.638  -9.135   3.383
  282    HE1  PHE  43           2HE      PHE  43 -17.164  -9.541  -0.013
  283    HE2  PHE  43           1HE      PHE  43 -16.000  -9.153   4.062
  284    HZ   PHE  43           HZ       PHE  43 -17.766  -9.359   2.365
  285    HA   PRO  44           HA       PRO  44 -14.327  -6.637   0.240
  286    HB2  PRO  44           2HB      PRO  44 -15.966  -4.901   1.477
  287    HB3  PRO  44           1HB      PRO  44 -15.755  -6.564   2.034
  288    HG2  PRO  44           2HG      PRO  44 -14.952  -4.103   3.363
  289    HG3  PRO  44           1HG      PRO  44 -14.885  -5.763   3.970
  290    HD2  PRO  44           2HD      PRO  44 -12.761  -4.139   2.701
  291    HD3  PRO  44           1HD      PRO  44 -12.616  -5.530   3.799
  292    H    SER  45           H        SER  45 -11.955  -4.502   0.215
  293    HA   SER  45           HA       SER  45 -13.154  -2.737  -1.677
  294    HB2  SER  45           2HB      SER  45 -13.824  -1.679   0.491
  295    HB3  SER  45           1HB      SER  45 -12.114  -1.583   0.922
  296    HG   SER  45           HG       SER  45 -13.550  -0.169  -1.051
  297    H    VAL  46           H        VAL  46 -11.586  -1.435  -2.668
  298    HA   VAL  46           HA       VAL  46  -9.036  -2.660  -3.027
  299    HB   VAL  46           HB       VAL  46  -9.925   0.128  -3.865
  300   HG11  VAL  46          1HG1      VAL  46  -7.703  -1.607  -4.926
  301   HG12  VAL  46          2HG1      VAL  46  -7.517  -0.192  -3.895
  302   HG13  VAL  46          3HG1      VAL  46  -8.158  -0.010  -5.533
  303   HG21  VAL  46          3HG2      VAL  46  -9.953  -2.403  -5.483
  304   HG22  VAL  46          1HG2      VAL  46 -10.469  -0.815  -6.027
  305   HG23  VAL  46          2HG2      VAL  46 -11.392  -1.659  -4.776
  306    H    LYS  47           H        LYS  47  -7.351  -2.451  -1.684
  307    HA   LYS  47           HA       LYS  47  -7.219  -0.023  -0.062
  308    HB2  LYS  47           2HB      LYS  47  -8.038  -2.012   1.242
  309    HB3  LYS  47           1HB      LYS  47  -6.519  -2.816   0.893
  310    HG2  LYS  47           2HG      LYS  47  -5.301  -1.341   2.269
  311    HG3  LYS  47           1HG      LYS  47  -6.631  -0.181   2.333
  312    HD2  LYS  47           2HD      LYS  47  -7.980  -1.846   3.561
  313    HD3  LYS  47           1HD      LYS  47  -6.596  -2.938   3.551
  314    HE2  LYS  47           2HE      LYS  47  -6.479  -0.168   4.717
  315    HE3  LYS  47           1HE      LYS  47  -6.976  -1.567   5.654
  316    HZ1  LYS  47           3HZ      LYS  47  -4.632  -1.026   5.936
  317    HZ2  LYS  47           1HZ      LYS  47  -4.322  -1.305   4.306
  318    HZ3  LYS  47           2HZ      LYS  47  -4.843  -2.552   5.344
  319    H    CYS  48           H        CYS  48  -4.893   0.238   0.824
  320    HA   CYS  48           HA       CYS  48  -3.235  -0.078  -1.543
  321    HB2  CYS  48           2HB      CYS  48  -3.500   2.184  -0.489
  322    HB3  CYS  48           1HB      CYS  48  -2.646   1.576   0.922
  323    H    PHE  49           H        PHE  49  -1.403  -1.131  -1.590
  324    HA   PHE  49           HA       PHE  49  -0.526  -2.573   0.798
  325    HB2  PHE  49           2HB      PHE  49  -0.776  -3.536  -2.051
  326    HB3  PHE  49           1HB      PHE  49   0.224  -4.353  -0.857
  327    HD1  PHE  49           1HD      PHE  49  -3.300  -3.217  -1.410
  328    HD2  PHE  49           2HD      PHE  49  -0.702  -6.065   0.390
  329    HE1  PHE  49           1HE      PHE  49  -5.244  -4.540  -0.713
  330    HE2  PHE  49           2HE      PHE  49  -2.640  -7.391   1.094
  331    HZ   PHE  49           HZ       PHE  49  -4.917  -6.633   0.548
  332    H    CYS  50           H        CYS  50   1.433  -2.007   1.287
  333    HA   CYS  50           HA       CYS  50   3.025  -0.596  -0.661
  334    HB2  CYS  50           2HB      CYS  50   3.226  -0.780   2.343
  335    HB3  CYS  50           1HB      CYS  50   4.463  -0.007   1.343
  336    H    LYS  51           H        LYS  51   5.102  -1.054  -1.119
  337    HA   LYS  51           HA       LYS  51   5.489  -3.937  -1.280
  338    HB2  LYS  51           2HB      LYS  51   6.721  -1.651  -2.815
  339    HB3  LYS  51           1HB      LYS  51   7.049  -3.348  -3.102
  340    HG2  LYS  51           2HG      LYS  51   4.732  -3.743  -3.699
  341    HG3  LYS  51           1HG      LYS  51   4.337  -2.068  -3.335
  342    HD2  LYS  51           2HD      LYS  51   6.278  -2.945  -5.483
  343    HD3  LYS  51           1HD      LYS  51   4.589  -2.542  -5.773
  344    HE2  LYS  51           2HE      LYS  51   5.033  -0.279  -4.853
  345    HE3  LYS  51           1HE      LYS  51   6.737  -0.703  -4.724
  346    HZ1  LYS  51           3HZ      LYS  51   5.166  -0.590  -7.255
  347    HZ2  LYS  51           1HZ      LYS  51   6.794  -1.019  -7.143
  348    HZ3  LYS  51           2HZ      LYS  51   6.269   0.535  -6.755
  349    H    ARG  52           H        ARG  52   6.823  -4.843   0.114
  350    HA   ARG  52           HA       ARG  52   9.091  -3.248   1.104
  351    HB2  ARG  52           2HB      ARG  52   9.299  -4.727   2.979
  352    HB3  ARG  52           1HB      ARG  52   7.602  -4.307   2.840
  353    HG2  ARG  52           2HG      ARG  52   7.079  -6.447   1.915
  354    HG3  ARG  52           1HG      ARG  52   8.789  -6.864   1.780
  355    HD2  ARG  52           2HD      ARG  52   7.197  -6.464   4.317
  356    HD3  ARG  52           1HD      ARG  52   7.861  -7.978   3.708
  357    HE   ARG  52           HE       ARG  52   9.317  -5.766   4.931
  358   HH11  ARG  52          1HH1      ARG  52   9.432  -9.092   3.651
  359   HH12  ARG  52          2HH1      ARG  52  10.999  -9.373   4.254
  360   HH21  ARG  52          1HH2      ARG  52  11.448  -6.225   5.749
  361   HH22  ARG  52          2HH2      ARG  52  12.165  -7.732   5.432
  362    H    GLN  53           H        GLN  53  11.191  -4.131   1.117
  363    HA   GLN  53           HA       GLN  53  11.812  -5.774  -1.128
  364    HB2  GLN  53           2HB      GLN  53  13.481  -4.632   1.102
  365    HB3  GLN  53           1HB      GLN  53  14.117  -5.492  -0.287
  366    HG2  GLN  53           2HG      GLN  53  13.306  -3.753  -1.744
  367    HG3  GLN  53           1HG      GLN  53  12.561  -2.939  -0.374
  368   HE21  GLN  53          1HE2      GLN  53  13.814  -1.904   1.083
  369   HE22  GLN  53          2HE2      GLN  53  15.479  -1.511   0.823
  370    H    CYS  54           H        CYS  54  11.653  -7.928  -1.032
  371    HA   CYS  54           HA       CYS  54  12.327  -9.225   1.496
  372    HB2  CYS  54           2HB      CYS  54  10.732 -10.269  -0.864
  373    HB3  CYS  54           1HB      CYS  54  11.075 -11.167   0.610