*HEADER    SIGNALING PROTEIN                       26-JUN-03   1PV0              
*TITLE     STRUCTURE OF THE SDA ANTIKINASE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SDA;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: SDA;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(LAMBDA DE3);                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET28A;                               
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSLR65                                    
*KEYWDS    SDA, KINA, ANTIKINASE, HISTIDINE KINASE, SPORULATION                  
*KEYWDS   2 PHOSPHORELAY                                                         
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    S.L.ROWLAND, W.F.BURKHOLDER, M.W.MACIEJEWSKI, A.D.GROSSMAN,           
*AUTHOR   2 G.F.KING                                                             
*REVDAT   1   13-APR-04 1PV0    0                                                


*LIST OF DISTANCE RESTRAINTS*
assign (resid   1 and name   HA)   (resid   1 and name  HE#)   4.165    2.365    2.365  
assign (resid   1 and name   HA)   (resid   4 and name   HG)   2.860    1.060    1.060  
assign (resid   1 and name   HA)   (resid   4 and name HD##)   4.490    2.690    2.690  
assign (resid   1 and name   HA)   (resid  28 and name HD1#)   3.700    1.900    1.900  
assign (resid   1 and name   HA)   (resid  28 and name HD2#)   3.700    1.900    1.900  
assign (resid   1 and name   HA)   (resid  28 and name HD##)   3.470    1.670    1.670  
assign (resid   1 and name  HB2)   (resid  28 and name HD1#)   5.705    3.905    3.905  
assign (resid   1 and name  HB2)   (resid  28 and name HD2#)   5.705    3.905    3.905  
assign (resid   1 and name  HB1)   (resid  28 and name HD1#)   5.705    3.905    3.905  
assign (resid   1 and name  HB1)   (resid  28 and name HD2#)   5.705    3.905    3.905  
assign (resid   1 and name  HB#)   (resid  28 and name HD##)   4.735    2.935    2.935  
assign (resid   1 and name  HG2)   (resid  28 and name HD1#)   4.430    2.630    2.630  
assign (resid   1 and name  HG2)   (resid  28 and name HD2#)   4.430    2.630    2.630  
assign (resid   1 and name  HG1)   (resid  28 and name HD1#)   4.430    2.630    2.630  
assign (resid   1 and name  HG1)   (resid  28 and name HD2#)   4.430    2.630    2.630  
assign (resid   1 and name  HG#)   (resid  28 and name HD##)   3.905    2.105    2.105  
assign (resid   1 and name  HE#)   (resid  12 and name  HB#)   4.610    2.810    2.810  
assign (resid   1 and name  HE#)   (resid  25 and name   HA)   4.165    2.365    2.365  
assign (resid   1 and name  HE#)   (resid  25 and name  HD#)   4.820    3.020    3.020  
assign (resid   1 and name  HE#)   (resid  25 and name   HZ)   4.070    2.270    2.270  
assign (resid   1 and name  HE#)   (resid  28 and name HD##)   4.890    3.090    3.090  
assign (resid   1 and name  HE#)   (resid  29 and name   HA)   3.530    1.730    1.730  
assign (resid   1 and name  HE#)   (resid  29 and name HG2#)   4.290    2.490    2.490  
assign (resid   1 and name  HE#)   (resid  29 and name HG1#)   4.145    2.345    2.345  
assign (resid   1 and name  HE#)   (resid  29 and name HD1#)   4.570    2.770    2.770  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.770    0.970    0.970  
assign (resid   4 and name   HN)   (resid   4 and name   HG)   2.970    1.170    1.170  
assign (resid   4 and name   HA)   (resid   8 and name HD1#)   4.165    2.365    2.365  
assign (resid   4 and name   HA)   (resid   8 and name HD2#)   4.165    2.365    2.365  
assign (resid   4 and name   HA)   (resid   8 and name HD##)   3.855    2.055    2.055  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.705    0.905    0.905  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.705    0.905    0.905  
assign (resid   4 and name   HG)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name HD##)   (resid   5 and name   HN)   4.305    2.505    2.505  
assign (resid   4 and name HD##)   (resid   8 and name   HN)   4.695    2.895    2.895  
assign (resid   4 and name HD##)   (resid   8 and name  HB2)   4.245    2.445    2.445  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.730    0.930    0.930  
assign (resid   5 and name   HN)   (resid   8 and name HD##)   4.935    3.135    3.135  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.255    0.455    0.455  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   2.875    1.075    1.075  
assign (resid   5 and name   HA)   (resid   8 and name   HN)   3.140    1.340    1.340  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.795    0.995    0.995  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.795    0.995    0.995  
assign (resid   5 and name  HB#)   (resid   7 and name   HN)   3.320    1.520    1.520  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.365    0.565    0.565  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.440    0.640    0.640    
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.720    0.920    0.920  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   3.540    1.740    1.740  
assign (resid   6 and name   HA)   (resid   9 and name  HB#)   3.165    1.365    1.365  
assign (resid   6 and name   HA)   (resid  38 and name HD2#)   3.670    1.870    1.870  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   2.470    0.670    0.670  
assign (resid   6 and name  HB2)   (resid  10 and name HD1#)   4.165    2.365    2.365  
assign (resid   6 and name  HB2)   (resid  38 and name HD2#)   4.165    2.365    2.365  
assign (resid   6 and name  HB2)   (resid  41 and name HG1#)   3.630    1.830    1.830  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HB1)   (resid  10 and name HD1#)   3.885    2.085    2.085  
assign (resid   6 and name  HB1)   (resid  38 and name HD1#)   3.900    2.100    2.100  
assign (resid   6 and name  HB1)   (resid  38 and name HD2#)   3.465    1.665    1.665  
assign (resid   6 and name  HB1)   (resid  41 and name HG1#)   3.895    2.095    2.095  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   4.065    2.265    2.265  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.455    0.655    0.655  
assign (resid   7 and name   HN)   (resid  10 and name HD1#)   4.165    2.365    2.365  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.625    0.825    0.825  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   2.765    0.965    0.965  
assign (resid   7 and name   HA)   (resid  10 and name   HB)   2.440    0.640    0.640  
assign (resid   7 and name   HA)   (resid  10 and name HG2#)   3.575    1.775    1.775  
assign (resid   7 and name   HA)   (resid  10 and name HG1#)   4.095    2.295    2.295  
assign (resid   7 and name   HA)   (resid  10 and name HD1#)   3.390    1.590    1.590  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   2.860    1.060    1.060  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.485    0.685    0.685  
assign (resid   7 and name  HB2)   (resid   8 and name HD1#)   5.445    3.645    3.645  
assign (resid   7 and name  HB2)   (resid   8 and name HD2#)   5.445    3.645    3.645  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.485    0.685    0.685  
assign (resid   7 and name  HB1)   (resid   8 and name HD1#)   5.445    3.645    3.645  
assign (resid   7 and name  HB1)   (resid   8 and name HD2#)   5.445    3.645    3.645  
assign (resid   7 and name  HB#)   (resid   8 and name HD##)   4.620    2.820    2.820  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   4.095    2.295    2.295  
assign (resid   8 and name   HN)   (resid   8 and name   HA)   2.365    0.565    0.565  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.365    0.565    0.565  
assign (resid   8 and name   HN)   (resid  10 and name   HN)   2.935    1.135    1.135  
assign (resid   8 and name   HA)   (resid   8 and name   HG)   2.660    0.860    0.860  
assign (resid   8 and name   HA)   (resid   8 and name HD1#)   3.000    1.200    1.200  
assign (resid   8 and name   HA)   (resid   8 and name HD2#)   3.000    1.200    1.200  
assign (resid   8 and name   HA)   (resid   8 and name HD##)   2.790    0.990    0.990  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   2.845    1.045    1.045  
assign (resid   8 and name HD1#)   (resid  11 and name  HB2)   4.165    2.365    2.365  
assign (resid   8 and name HD1#)   (resid  11 and name  HB1)   4.165    2.365    2.365  
assign (resid   8 and name HD1#)   (resid  11 and name  HG#)   4.610    2.810    2.810  
assign (resid   8 and name HD2#)   (resid  11 and name  HB2)   4.165    2.365    2.365  
assign (resid   8 and name HD2#)   (resid  11 and name  HB1)   4.165    2.365    2.365  
assign (resid   8 and name HD2#)   (resid  11 and name  HG#)   4.610    2.810    2.810  
assign (resid   8 and name HD##)   (resid   9 and name   HN)   4.550    2.750    2.750  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.660    0.860    0.860  
assign (resid   9 and name   HN)   (resid   9 and name HD1#)   3.730    1.930    1.930  
assign (resid   9 and name   HN)   (resid   9 and name HD2#)   3.870    2.070    2.070  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.470    0.670    0.670  
assign (resid   9 and name   HA)   (resid   9 and name HD2#)   3.250    1.450    1.450  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.640    0.840    0.840  
assign (resid   9 and name   HA)   (resid  10 and name   HA)   3.230    1.430    1.430  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.155    1.355    1.355  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   2.660    0.860    0.860  
assign (resid   9 and name   HG)   (resid  10 and name   HN)   3.140    1.340    1.340  
assign (resid   9 and name   HG)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name   HG)   (resid  33 and name HG1#)   3.785    1.985    1.985  
assign (resid   9 and name   HG)   (resid  33 and name HD1#)   3.775    1.975    1.975  
assign (resid   9 and name HD1#)   (resid  32 and name  HB#)   4.235    2.435    2.435  
assign (resid   9 and name HD1#)   (resid  32 and name  HG2)   3.545    1.745    1.745  
assign (resid   9 and name HD1#)   (resid  32 and name  HG1)   3.545    1.745    1.745  
assign (resid   9 and name HD1#)   (resid  33 and name   HN)   4.165    2.365    2.365  
assign (resid   9 and name HD1#)   (resid  33 and name   HA)   3.805    2.005    2.005  
assign (resid   9 and name HD1#)   (resid  33 and name HG12)   3.575    1.775    1.775  
assign (resid   9 and name HD1#)   (resid  33 and name HG11)   3.575    1.775    1.775  
assign (resid   9 and name HD1#)   (resid  33 and name HG1#)   3.415    1.615    1.615  
assign (resid   9 and name HD1#)   (resid  33 and name HD1#)   4.680    2.880    2.880  
assign (resid   9 and name HD1#)   (resid  36 and name  HD#)   4.610    2.810    2.810  
assign (resid   9 and name HD2#)   (resid  32 and name  HB#)   4.530    2.730    2.730  
assign (resid   9 and name HD2#)   (resid  32 and name  HG2)   3.760    1.960    1.960  
assign (resid   9 and name HD2#)   (resid  32 and name  HG1)   3.760    1.960    1.960  
assign (resid   9 and name HD2#)   (resid  32 and name  HG#)   3.685    1.885    1.885  
assign (resid   9 and name HD2#)   (resid  33 and name   HN)   3.715    1.915    1.915  
assign (resid   9 and name HD2#)   (resid  33 and name   HA)   2.970    1.170    1.170  
assign (resid   9 and name HD2#)   (resid  33 and name HG12)   3.325    1.525    1.525  
assign (resid   9 and name HD2#)   (resid  33 and name HG11)   3.325    1.525    1.525  
assign (resid   9 and name HD2#)   (resid  33 and name HG1#)   3.200    1.400    1.400  
assign (resid   9 and name HD2#)   (resid  33 and name HD1#)   4.525    2.725    2.725  
assign (resid   9 and name HD2#)   (resid  36 and name  HB2)   3.405    1.605    1.605  
assign (resid   9 and name HD2#)   (resid  36 and name  HB1)   3.450    1.650    1.650  
assign (resid   9 and name HD2#)   (resid  36 and name  HG#)   3.895    2.095    2.095  
assign (resid   9 and name HD2#)   (resid  36 and name  HD2)   3.265    1.465    1.465  
assign (resid   9 and name HD2#)   (resid  36 and name  HD1)   3.265    1.465    1.465  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.145    0.345    0.345  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.110    1.310    1.310  
assign (resid  10 and name   HN)   (resid  10 and name HG12)   2.765    0.965    0.965  
assign (resid  10 and name   HN)   (resid  10 and name HG11)   2.765    0.965    0.965  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   2.525    0.725    0.725  
assign (resid  10 and name   HN)   (resid  10 and name HD1#)   3.140    1.340    1.340  
assign (resid  10 and name   HA)   (resid  10 and name HG12)   2.750    0.950    0.950  
assign (resid  10 and name   HA)   (resid  10 and name HG11)   2.750    0.950    0.950  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   3.065    1.265    1.265  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   2.780    0.980    0.980  
assign (resid  10 and name   HA)   (resid  13 and name   HN)   2.595    0.795    0.795  
assign (resid  10 and name   HA)   (resid  13 and name  HB2)   2.690    0.890    0.890  
assign (resid  10 and name   HA)   (resid  13 and name  HB1)   2.565    0.765    0.765  
assign (resid  10 and name   HA)   (resid  13 and name  HD#)   4.725    2.925    2.925  
assign (resid  10 and name   HA)   (resid  14 and name   HN)   3.075    1.275    1.275  
assign (resid  10 and name   HA)   (resid  33 and name HG2#)   4.100    2.300    2.300  
assign (resid  10 and name   HA)   (resid  33 and name HG12)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  33 and name HG11)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  33 and name HG1#)   3.545    1.745    1.745  
assign (resid  10 and name   HA)   (resid  33 and name HD1#)   3.065    1.265    1.265  
assign (resid  10 and name   HA)   (resid  42 and name HG2#)   3.745    1.945    1.945  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   2.425    0.625    0.625  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.295    1.495    1.495  
assign (resid  10 and name HG2#)   (resid  11 and name   HA)   3.450    1.650    1.650  
assign (resid  10 and name HG2#)   (resid  12 and name   HN)   3.805    2.005    2.005  
assign (resid  10 and name HG2#)   (resid  13 and name   HN)   3.685    1.885    1.885  
assign (resid  10 and name HG2#)   (resid  13 and name  HB1)   3.420    1.620    1.620  
assign (resid  10 and name HG2#)   (resid  13 and name  HD#)   5.240    3.440    3.440  
assign (resid  10 and name HG2#)   (resid  14 and name   HN)   3.515    1.715    1.715  
assign (resid  10 and name HG2#)   (resid  14 and name  HD#)   4.570    2.770    2.770  
assign (resid  10 and name HG2#)   (resid  14 and name  HE#)   4.805    3.005    3.005  
assign (resid  10 and name HG2#)   (resid  33 and name HD1#)   4.680    2.880    2.880  
assign (resid  10 and name HG2#)   (resid  42 and name HG2#)   4.585    2.785    2.785  
assign (resid  10 and name HG12)   (resid  33 and name HD1#)   4.165    2.365    2.365  
assign (resid  10 and name HG11)   (resid  33 and name HD1#)   4.165    2.365    2.365  
assign (resid  10 and name HG1#)   (resid  11 and name   HN)   3.755    1.955    1.955  
assign (resid  10 and name HG1#)   (resid  42 and name HG2#)   4.610    2.810    2.810  
assign (resid  10 and name HD1#)   (resid  11 and name   HN)   4.165    2.365    2.365  
assign (resid  10 and name HD1#)   (resid  13 and name  HD#)   5.240    3.440    3.440  
assign (resid  10 and name HD1#)   (resid  14 and name  HD#)   5.240    3.440    3.440  
assign (resid  10 and name HD1#)   (resid  33 and name HG2#)   3.995    2.195    2.195  
assign (resid  10 and name HD1#)   (resid  33 and name HD1#)   4.120    2.320    2.320  
assign (resid  10 and name HD1#)   (resid  38 and name   HA)   4.165    2.365    2.365  
assign (resid  11 and name   HN)   (resid  11 and name   HA)   2.350    0.550    0.550  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   4.095    2.295    2.295  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.425    0.625    0.625  
assign (resid  11 and name   HA)   (resid  11 and name  HB2)   2.350    0.550    0.550  
assign (resid  11 and name   HA)   (resid  11 and name  HB1)   2.350    0.550    0.550  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   2.580    0.780    0.780  
assign (resid  11 and name   HA)   (resid  14 and name  HB2)   2.610    0.810    0.810  
assign (resid  11 and name   HA)   (resid  14 and name  HB1)   2.845    1.045    1.045  
assign (resid  11 and name   HA)   (resid  14 and name  HD#)   4.260    2.460    2.460  
assign (resid  11 and name   HA)   (resid  15 and name  HG#)   4.000    2.200    2.200  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.660    0.860    0.860  
assign (resid  11 and name  HB2)   (resid  15 and name  HG2)   4.185    2.385    2.385  
assign (resid  11 and name  HB2)   (resid  15 and name  HG1)   4.185    2.385    2.385  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.660    0.860    0.860  
assign (resid  11 and name  HB1)   (resid  15 and name  HG2)   4.185    2.385    2.385  
assign (resid  11 and name  HB1)   (resid  15 and name  HG1)   4.185    2.385    2.385  
assign (resid  11 and name  HB#)   (resid  15 and name  HG#)   3.690    1.890    1.890  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.690    0.890    0.890  
assign (resid  12 and name   HA)   (resid  15 and name   HN)   3.015    1.215    1.215  
assign (resid  12 and name   HA)   (resid  15 and name  HB2)   2.890    1.090    1.090  
assign (resid  12 and name   HA)   (resid  15 and name  HB1)   2.890    1.090    1.090  
assign (resid  12 and name   HA)   (resid  15 and name  HG#)   3.970    2.170    2.170  
assign (resid  12 and name   HA)   (resid  29 and name HG2#)   4.165    2.365    2.365  
assign (resid  12 and name   HA)   (resid  29 and name HD1#)   3.870    2.070    2.070  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.395    0.595    0.595  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.335    0.535    0.535  
assign (resid  13 and name   HN)   (resid  29 and name HG2#)   3.545    1.745    1.745  
assign (resid  13 and name   HN)   (resid  29 and name HD1#)   4.165    2.365    2.365  
assign (resid  13 and name   HN)   (resid  33 and name HD1#)   3.915    2.115    2.115  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.690    0.890    0.890  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   2.830    1.030    1.030  
assign (resid  13 and name   HA)   (resid  16 and name  HB#)   3.590    1.790    1.790  
assign (resid  13 and name   HA)   (resid  29 and name HD1#)   3.140    1.340    1.340  
assign (resid  13 and name   HA)   (resid  33 and name HD1#)   3.840    2.040    2.040  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.795    0.995    0.995  
assign (resid  13 and name  HB2)   (resid  29 and name HG2#)   3.110    1.310    1.310  
assign (resid  13 and name  HB2)   (resid  29 and name HD1#)   3.945    2.145    2.145  
assign (resid  13 and name  HB2)   (resid  33 and name HD1#)   3.375    1.575    1.575  
assign (resid  13 and name  HB1)   (resid  14 and name  HD#)   4.660    2.860    2.860  
assign (resid  13 and name  HB1)   (resid  29 and name HG2#)   3.205    1.405    1.405  
assign (resid  13 and name  HB1)   (resid  33 and name HD1#)   3.545    1.745    1.745  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   4.290    2.490    2.490  
assign (resid  13 and name  HD#)   (resid  14 and name   HA)   4.725    2.925    2.925  
assign (resid  13 and name  HD#)   (resid  17 and name HG2#)   5.240    3.440    3.440  
assign (resid  13 and name  HD#)   (resid  26 and name HG2#)   4.895    3.095    3.095  
assign (resid  13 and name  HD#)   (resid  29 and name   HB)   4.645    2.845    2.845  
assign (resid  13 and name  HD#)   (resid  29 and name HG2#)   4.960    3.160    3.160  
assign (resid  13 and name  HD#)   (resid  29 and name HD1#)   5.240    3.440    3.440  
assign (resid  13 and name  HD#)   (resid  33 and name HD1#)   5.065    3.265    3.265  
assign (resid  13 and name  HD#)   (resid  41 and name HG2#)   5.240    3.440    3.440  
assign (resid  13 and name  HD#)   (resid  42 and name HG2#)   5.240    3.440    3.440  
assign (resid  13 and name  HE#)   (resid  17 and name HG2#)   5.115    3.315    3.315  
assign (resid  13 and name  HE#)   (resid  26 and name HG2#)   4.540    2.740    2.740  
assign (resid  13 and name  HE#)   (resid  26 and name HD1#)   5.240    3.440    3.440  
assign (resid  13 and name  HE#)   (resid  30 and name  HB2)   4.725    2.925    2.925  
assign (resid  13 and name  HE#)   (resid  30 and name  HG2)   4.645    2.845    2.845  
assign (resid  13 and name  HE#)   (resid  30 and name  HG1)   4.695    2.895    2.895  
assign (resid  13 and name  HE#)   (resid  33 and name HD1#)   5.240    3.440    3.440  
assign (resid  13 and name  HE#)   (resid  42 and name   HA)   4.725    2.925    2.925  
assign (resid  13 and name  HE#)   (resid  42 and name   HB)   4.725    2.925    2.925  
assign (resid  13 and name  HE#)   (resid  42 and name HG2#)   5.240    3.440    3.440  
assign (resid  13 and name  HE#)   (resid  42 and name HD1#)   5.240    3.440    3.440  
assign (resid  14 and name   HN)   (resid  14 and name   HA)   2.350    0.550    0.550  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.410    0.610    0.610  
assign (resid  14 and name   HN)   (resid  15 and name  HE#)   4.095    2.295    2.295  
assign (resid  14 and name   HA)   (resid  14 and name  HB2)   2.350    0.550    0.550  
assign (resid  14 and name   HA)   (resid  14 and name  HB1)   2.350    0.550    0.550  
assign (resid  14 and name   HA)   (resid  17 and name   HN)   2.675    0.875    0.875  
assign (resid  14 and name   HA)   (resid  17 and name HG2#)   3.840    2.040    2.040  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.550    0.750    0.750  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.705    0.905    0.905  
assign (resid  14 and name  HD#)   (resid  15 and name   HN)   4.725    2.925    2.925  
assign (resid  14 and name  HE#)   (resid  41 and name HG2#)   4.850    3.050    3.050  
assign (resid  14 and name   HZ)   (resid  41 and name   HB)   3.605    1.805    1.805  
assign (resid  14 and name   HZ)   (resid  41 and name HD1#)   3.560    1.760    1.760  
assign (resid  14 and name   HZ)   (resid  42 and name   HA)   2.735    0.935    0.935  
assign (resid  14 and name   HZ)   (resid  42 and name HG2#)   3.725    1.925    1.925
assign (resid  14 and name  HD#)   (resid  42 and name HG2#)   5.225    3.425    3.425  
assign (resid  15 and name   HN)   (resid  15 and name   HA)   2.300    0.500    0.500  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   3.195    1.395    1.395  
assign (resid  15 and name   HA)   (resid  15 and name  HE#)   3.740    1.940    1.940  
assign (resid  15 and name   HA)   (resid  17 and name   HN)   3.450    1.650    1.650  
assign (resid  15 and name   HA)   (resid  18 and name   HN)   2.780    0.980    0.980  
assign (resid  15 and name   HA)   (resid  19 and name   HN)   3.230    1.430    1.430  
assign (resid  15 and name   HA)   (resid  19 and name  HG#)   4.095    2.295    2.295  
assign (resid  15 and name   HA)   (resid  19 and name  HE#)   3.325    1.525    1.525  
assign (resid  15 and name  HB2)   (resid  15 and name  HE#)   4.095    2.295    2.295  
assign (resid  15 and name  HB2)   (resid  21 and name HD1#)   5.195    3.395    3.395  
assign (resid  15 and name  HB2)   (resid  21 and name HD2#)   5.195    3.395    3.395  
assign (resid  15 and name  HB1)   (resid  15 and name  HE#)   4.095    2.295    2.295  
assign (resid  15 and name  HB1)   (resid  21 and name HD1#)   5.195    3.395    3.395  
assign (resid  15 and name  HB1)   (resid  21 and name HD2#)   5.195    3.395    3.395  
assign (resid  15 and name  HB#)   (resid  21 and name HD##)   4.365    2.565    2.565  
assign (resid  15 and name  HE#)   (resid  19 and name  HE#)   4.610    2.810    2.810  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.440    0.640    0.640  
assign (resid  16 and name   HN)   (resid  21 and name HD##)   4.935    3.135    3.135  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   2.595    0.795    0.795  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   3.225    1.425    1.425  
assign (resid  16 and name   HA)   (resid  19 and name  HG#)   3.860    2.060    2.060  
assign (resid  16 and name   HA)   (resid  19 and name  HE#)   3.185    1.385    1.385  
assign (resid  16 and name   HA)   (resid  21 and name   HN)   2.750    0.950    0.950  
assign (resid  16 and name   HA)   (resid  21 and name  HB#)   3.460    1.660    1.660  
assign (resid  16 and name   HA)   (resid  21 and name   HG)   3.185    1.385    1.385  
assign (resid  16 and name   HA)   (resid  21 and name HD1#)   3.775    1.975    1.975  
assign (resid  16 and name   HA)   (resid  21 and name HD2#)   3.775    1.975    1.975  
assign (resid  16 and name   HA)   (resid  21 and name HD##)   3.355    1.555    1.555  
assign (resid  16 and name  HB#)   (resid  19 and name  HE#)   4.460    2.660    2.660  
assign (resid  16 and name  HB#)   (resid  21 and name   HA)   4.165    2.365    2.365  
assign (resid  16 and name  HB#)   (resid  21 and name  HB#)   3.835    2.035    2.035  
assign (resid  16 and name  HB#)   (resid  21 and name   HG)   3.995    2.195    2.195  
assign (resid  16 and name  HB#)   (resid  21 and name HD1#)   4.680    2.880    2.880  
assign (resid  16 and name  HB#)   (resid  21 and name HD2#)   4.680    2.880    2.880  
assign (resid  16 and name  HB#)   (resid  21 and name HD##)   4.415    2.615    2.615  
assign (resid  16 and name  HB#)   (resid  25 and name  HD#)   4.880    3.080    3.080  
assign (resid  16 and name  HB#)   (resid  26 and name   HA)   4.055    2.255    2.255  
assign (resid  16 and name  HB#)   (resid  26 and name   HB)   4.165    2.365    2.365  
assign (resid  16 and name  HB#)   (resid  26 and name HG2#)   4.680    2.880    2.880  
assign (resid  16 and name  HB#)   (resid  26 and name HG1#)   4.095    2.295    2.295  
assign (resid  16 and name  HB#)   (resid  26 and name HD1#)   4.215    2.415    2.415  
assign (resid  16 and name  HB#)   (resid  29 and name HG2#)   4.680    2.880    2.880  
assign (resid  16 and name  HB#)   (resid  29 and name HD1#)   4.275    2.475    2.475  
assign (resid  17 and name   HN)   (resid  17 and name   HA)   2.335    0.535    0.535  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   3.065    1.265    1.265  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.440    0.640    0.640  
assign (resid  17 and name   HN)   (resid  26 and name HD1#)   3.870    2.070    2.070  
assign (resid  17 and name   HA)   (resid  20 and name   HN)   2.705    0.905    0.905  
assign (resid  17 and name   HA)   (resid  20 and name   HA)   2.890    1.090    1.090  
assign (resid  17 and name   HA)   (resid  26 and name HG12)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  26 and name HG11)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  26 and name HG1#)   3.500    1.700    1.700  
assign (resid  17 and name   HA)   (resid  26 and name HD1#)   2.800    1.000    1.000  
assign (resid  17 and name   HB)   (resid  26 and name HD1#)   3.730    1.930    1.930  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   3.825    2.025    2.025  
assign (resid  17 and name HG2#)   (resid  20 and name   HA)   4.165    2.365    2.365  
assign (resid  17 and name HG2#)   (resid  26 and name HD1#)   4.025    2.225    2.225  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.410    0.610    0.610  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.610    0.810    0.810  
assign (resid  18 and name   HA)   (resid  20 and name   HN)   3.030    1.230    1.230  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.395    0.595    0.595  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.395    0.595    0.595  
assign (resid  18 and name  HB#)   (resid  20 and name   HN)   3.895    2.095    2.095  
assign (resid  19 and name   HN)   (resid  19 and name   HA)   2.350    0.550    0.550  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.640    0.840    0.840  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.640    0.840    0.840  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.425    0.625    0.625  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   3.100    1.300    1.300  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.860    1.060    1.060  
assign (resid  19 and name   HN)   (resid  21 and name HD##)   4.735    2.935    2.935  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.015    1.215    1.215  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.015    1.215    1.215  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.910    1.110    1.110  
assign (resid  19 and name  HB#)   (resid  21 and name   HG)   3.845    2.045    2.045  
assign (resid  19 and name  HB#)   (resid  21 and name HD##)   5.365    3.565    3.565  
assign (resid  19 and name  HG#)   (resid  21 and name HD1#)   4.605    2.805    2.805  
assign (resid  19 and name  HG#)   (resid  21 and name HD2#)   4.605    2.805    2.805  
assign (resid  19 and name  HE#)   (resid  21 and name  HB#)   3.680    1.880    1.880  
assign (resid  19 and name  HE#)   (resid  21 and name   HG)   3.065    1.265    1.265  
assign (resid  19 and name  HE#)   (resid  21 and name HD1#)   4.680    2.880    2.880  
assign (resid  19 and name  HE#)   (resid  21 and name HD2#)   4.680    2.880    2.880  
assign (resid  19 and name  HE#)   (resid  25 and name  HD#)   5.240    3.440    3.440  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.800    1.000    1.000  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.000    1.200    1.200  
assign (resid  20 and name   HA)   (resid  20 and name  HB2)   2.380    0.580    0.580  
assign (resid  20 and name   HA)   (resid  20 and name  HB1)   2.380    0.580    0.580  
assign (resid  20 and name   HA)   (resid  20 and name  HB#)   2.255    0.455    0.455  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.455    0.655    0.655  
assign (resid  20 and name   HA)   (resid  26 and name HD1#)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  21 and name   HG)   2.860    1.060    1.060  
assign (resid  21 and name   HA)   (resid  21 and name HD1#)   3.325    1.525    1.525  
assign (resid  21 and name   HA)   (resid  21 and name HD2#)   3.325    1.525    1.525
assign (resid  21 and name   HG)   (resid  21 and name   HN)   3.005    1.205    1.205  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.395    0.595    0.595  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   3.135    1.335    1.335  
assign (resid  21 and name  HB#)   (resid  25 and name  HD#)   5.170    3.370    3.370  
assign (resid  21 and name   HG)   (resid  22 and name  HB2)   3.650    1.850    1.850 
assign (resid  21 and name HD1#)   (resid  22 and name   HN)   3.900    2.100    2.100  
assign (resid  21 and name HD1#)   (resid  25 and name  HD#)   5.240    3.440    3.440  
assign (resid  21 and name HD2#)   (resid  22 and name   HN)   3.900    2.100    2.100  
assign (resid  21 and name HD2#)   (resid  25 and name  HD#)   5.240    3.440    3.440  
assign (resid  21 and name HD##)   (resid  25 and name  HB2)   4.935    3.135    3.135  
assign (resid  21 and name HD##)   (resid  25 and name  HB1)   4.655    2.855    2.855  
assign (resid  21 and name HD##)   (resid  25 and name  HD#)   4.875    3.075    3.075  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.610    0.810    0.810  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.535    0.735    0.735  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.485    0.685    0.685  
assign (resid  22 and name   HA)   (resid  23 and name   HA)   3.245    1.445    1.445  
assign (resid  22 and name   HA)   (resid  23 and name  HB#)   3.195    1.395    1.395  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   4.095    2.295    2.295  
assign (resid  23 and name   HA)   (resid  23 and name  HG2)   3.015    1.215    1.215  
assign (resid  23 and name   HA)   (resid  23 and name  HG1)   3.015    1.215    1.215  
assign (resid  23 and name   HA)   (resid  23 and name  HD#)   3.165    1.365    1.365  
assign (resid  23 and name   HA)   (resid  24 and name   HA)   3.245    1.445    1.445  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   2.875    1.075    1.075  
assign (resid  23 and name   HA)   (resid  26 and name   HB)   2.285    0.485    0.485  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   2.875    1.075    1.075  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   2.875    1.075    1.075  
assign (resid  23 and name  HD#)   (resid  26 and name HG2#)   4.515    2.715    2.715  
assign (resid  23 and name  HD#)   (resid  26 and name HD1#)   4.610    2.810    2.810  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.410    0.610    0.610  
assign (resid  24 and name   HA)   (resid  24 and name  HB2)   2.395    0.595    0.595  
assign (resid  24 and name   HA)   (resid  24 and name  HB1)   2.395    0.595    0.595  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   2.660    0.860    0.860  
assign (resid  24 and name   HA)   (resid  27 and name  HB2)   2.565    0.765    0.765  
assign (resid  24 and name   HA)   (resid  27 and name  HB1)   2.565    0.765    0.765  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   2.750    0.950    0.950  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   2.750    0.950    0.950  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.610    0.810    0.810  
assign (resid  25 and name   HN)   (resid  26 and name   HB)   3.125    1.325    1.325  
assign (resid  25 and name   HN)   (resid  26 and name HG1#)   4.065    2.265    2.265  
assign (resid  25 and name   HN)   (resid  28 and name HD1#)   4.165    2.365    2.365  
assign (resid  25 and name   HN)   (resid  28 and name HD2#)   4.165    2.365    2.365  
assign (resid  25 and name   HA)   (resid  28 and name   HN)   2.580    0.780    0.780  
assign (resid  25 and name   HA)   (resid  28 and name  HB2)   2.690    0.890    0.890  
assign (resid  25 and name   HA)   (resid  28 and name  HB1)   2.690    0.890    0.890  
assign (resid  25 and name   HA)   (resid  28 and name  HB#)   2.510    0.710    0.710  
assign (resid  25 and name   HA)   (resid  28 and name   HG)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  28 and name HD1#)   3.185    1.385    1.385  
assign (resid  25 and name   HA)   (resid  28 and name HD2#)   3.185    1.385    1.385  
assign (resid  25 and name   HA)   (resid  29 and name HG1#)   4.095    2.295    2.295  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   2.705    0.905    0.905  
assign (resid  25 and name  HB2)   (resid  28 and name HD##)   4.935    3.135    3.135  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.110    1.310    1.310  
assign (resid  25 and name  HD#)   (resid  26 and name   HA)   4.725    2.925    2.925  
assign (resid  25 and name  HD#)   (resid  26 and name HD1#)   5.240    3.440    3.440  
assign (resid  25 and name  HD#)   (resid  28 and name  HB#)   5.170    3.370    3.370  
assign (resid  25 and name  HD#)   (resid  28 and name HD1#)   5.050    3.250    3.250  
assign (resid  25 and name  HD#)   (resid  28 and name HD2#)   5.050    3.250    3.250  
assign (resid  25 and name  HD#)   (resid  28 and name HD##)   4.855    3.055    3.055  
assign (resid  25 and name  HD#)   (resid  29 and name HG2#)   5.115    3.315    3.315  
assign (resid  25 and name  HD#)   (resid  29 and name HD1#)   4.495    2.695    2.695  
assign (resid  25 and name   HZ)   (resid  29 and name HD1#)   3.805    2.005    2.005  
assign (resid  26 and name   HN)   (resid  26 and name   HB)   2.610    0.810    0.810  
assign (resid  26 and name   HN)   (resid  26 and name HG1#)   3.615    1.815    1.815  
assign (resid  26 and name   HN)   (resid  26 and name HD1#)   4.040    2.240    2.240  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.640    0.840    0.840  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.015    1.215    1.215  
assign (resid  26 and name   HA)   (resid  26 and name HG12)   3.015    1.215    1.215  
assign (resid  26 and name   HA)   (resid  26 and name HG11)   3.015    1.215    1.215  
assign (resid  26 and name   HA)   (resid  26 and name HD1#)   3.325    1.525    1.525  
assign (resid  26 and name   HA)   (resid  27 and name   HA)   3.245    1.445    1.445  
assign (resid  26 and name   HA)   (resid  29 and name   HN)   2.765    0.965    0.965  
assign (resid  26 and name   HA)   (resid  29 and name   HB)   2.595    0.795    0.795  
assign (resid  26 and name   HA)   (resid  29 and name HD1#)   3.170    1.370    1.370  
assign (resid  26 and name   HB)   (resid  27 and name   HN)   2.455    0.655    0.655  
assign (resid  26 and name HG2#)   (resid  27 and name   HN)   3.480    1.680    1.680  
assign (resid  26 and name HG2#)   (resid  27 and name   HA)   3.545    1.745    1.745  
assign (resid  26 and name HG2#)   (resid  27 and name  HB2)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  27 and name  HB1)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  30 and name  HB2)   3.730    1.930    1.930  
assign (resid  26 and name HG2#)   (resid  30 and name  HB1)   3.915    2.115    2.115  
assign (resid  26 and name HG2#)   (resid  30 and name  HG1)   3.575    1.775    1.775  
assign (resid  26 and name HG1#)   (resid  27 and name   HN)   4.095    2.295    2.295  
assign (resid  27 and name   HN)   (resid  27 and name   HA)   2.380    0.580    0.580  
assign (resid  27 and name   HN)   (resid  27 and name  HG2)   3.340    1.540    1.540  
assign (resid  27 and name   HN)   (resid  27 and name  HG1)   3.340    1.540    1.540  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   3.270    1.470    1.470  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.455    0.655    0.655  
assign (resid  27 and name   HA)   (resid  29 and name   HN)   3.140    1.340    1.340  
assign (resid  27 and name   HA)   (resid  30 and name   HN)   2.640    0.840    0.840  
assign (resid  27 and name   HA)   (resid  30 and name  HB2)   2.485    0.685    0.685  
assign (resid  27 and name   HA)   (resid  30 and name  HB1)   2.395    0.595    0.595  
assign (resid  27 and name   HA)   (resid  30 and name  HG1)   3.650    1.850    1.850  
assign (resid  27 and name   HA)   (resid  31 and name   HN)   3.450    1.650    1.650  
assign (resid  28 and name   HN)   (resid  28 and name   HA)   2.350    0.550    0.550  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.680    0.880    0.880  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.505    0.705    0.705  
assign (resid  28 and name   HA)   (resid  28 and name HD1#)   3.325    1.525    1.525  
assign (resid  28 and name   HA)   (resid  28 and name HD2#)   3.325    1.525    1.525  
assign (resid  28 and name   HA)   (resid  28 and name HD##)   2.975    1.175    1.175  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.705    0.905    0.905  
assign (resid  28 and name   HA)   (resid  30 and name   HN)   3.000    1.200    1.200  
assign (resid  28 and name   HA)   (resid  31 and name   HN)   2.565    0.765    0.765  
assign (resid  28 and name   HA)   (resid  31 and name  HB2)   2.610    0.810    0.810  
assign (resid  28 and name   HA)   (resid  31 and name  HB1)   2.860    1.060    1.060  
assign (resid  29 and name   HN)   (resid  29 and name HG2#)   3.095    1.295    1.295  
assign (resid  29 and name   HN)   (resid  29 and name HG1#)   3.210    1.410    1.410  
assign (resid  29 and name   HN)   (resid  29 and name HD1#)   3.435    1.635    1.635  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.365    0.565    0.565  
assign (resid  29 and name   HA)   (resid  29 and name HG12)   2.795    0.995    0.995  
assign (resid  29 and name   HA)   (resid  29 and name HG11)   2.795    0.995    0.995  
assign (resid  29 and name   HA)   (resid  29 and name HG1#)   2.690    0.890    0.890  
assign (resid  29 and name   HA)   (resid  29 and name HD1#)   3.360    1.560    1.560  
assign (resid  29 and name   HA)   (resid  32 and name   HN)   2.795    0.995    0.995  
assign (resid  29 and name HG2#)   (resid  30 and name   HN)   3.295    1.495    1.495  
assign (resid  29 and name HG2#)   (resid  30 and name   HA)   3.805    2.005    2.005  
assign (resid  29 and name HG2#)   (resid  31 and name   HN)   4.010    2.210    2.210  
assign (resid  29 and name HG2#)   (resid  32 and name   HN)   3.775    1.975    1.975  
assign (resid  29 and name HG2#)   (resid  33 and name   HN)   4.165    2.365    2.365  
assign (resid  29 and name HG2#)   (resid  33 and name HD1#)   3.870    2.070    2.070  
assign (resid  29 and name HG1#)   (resid  30 and name   HN)   4.020    2.220    2.220  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.705    0.905    0.905  
assign (resid  30 and name   HA)   (resid  33 and name   HN)   2.610    0.810    0.810  
assign (resid  30 and name   HA)   (resid  33 and name   HB)   2.410    0.610    0.610  
assign (resid  30 and name   HA)   (resid  33 and name HG2#)   3.495    1.695    1.695  
assign (resid  30 and name   HA)   (resid  33 and name HG1#)   3.860    2.060    2.060  
assign (resid  30 and name   HA)   (resid  34 and name   HN)   2.890    1.090    1.090  
assign (resid  30 and name   HA)   (resid  42 and name HG2#)   3.870    2.070    2.070  
assign (resid  30 and name   HA)   (resid  42 and name HD1#)   3.495    1.695    1.695  
assign (resid  30 and name   HA)   (resid  44 and name HG2#)   4.135    2.335    2.335  
assign (resid  30 and name  HB2)   (resid  42 and name HD1#)   3.790    1.990    1.990  
assign (resid  30 and name  HB1)   (resid  42 and name HD1#)   3.855    2.055    2.055  
assign (resid  30 and name  HG2)   (resid  42 and name HD1#)   3.420    1.620    1.620  
assign (resid  30 and name  HG1)   (resid  34 and name  HE#)   4.095    2.295    2.295  
assign (resid  30 and name  HG1)   (resid  42 and name HD1#)   3.635    1.835    1.835  
assign (resid  31 and name   HN)   (resid  31 and name   HA)   2.350    0.550    0.550  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.285    0.485    0.485  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.395    0.595    0.595  
assign (resid  31 and name   HA)   (resid  34 and name   HN)   2.625    0.825    0.825  
assign (resid  31 and name   HA)   (resid  34 and name  HB2)   2.795    0.995    0.995  
assign (resid  31 and name   HA)   (resid  34 and name  HB1)   2.795    0.995    0.995  
assign (resid  31 and name   HA)   (resid  34 and name  HD#)   3.830    2.030    2.030  
assign (resid  31 and name   HA)   (resid  34 and name  HE#)   3.985    2.185    2.185  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   2.705    0.905    0.905  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   2.795    0.995    0.995  
assign (resid  32 and name   HN)   (resid  32 and name  HG#)   3.615    1.815    1.815  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.395    0.595    0.595  
assign (resid  32 and name   HN)   (resid  33 and name   HB)   3.110    1.310    1.310  
assign (resid  32 and name   HN)   (resid  33 and name HG1#)   4.095    2.295    2.295  
assign (resid  32 and name   HN)   (resid  34 and name   HN)   2.795    0.995    0.995  
assign (resid  32 and name   HN)   (resid  34 and name  HB#)   3.550    1.750    1.750  
assign (resid  32 and name   HA)   (resid  34 and name   HN)   3.170    1.370    1.370  
assign (resid  32 and name   HA)   (resid  35 and name   HN)   2.595    0.795    0.795  
assign (resid  32 and name   HA)   (resid  35 and name  HB#)   3.630    1.830    1.830  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   3.070    1.270    1.270  
assign (resid  33 and name   HN)   (resid  33 and name   HB)   2.255    0.455    0.455  
assign (resid  33 and name   HN)   (resid  33 and name HG2#)   3.235    1.435    1.435  
assign (resid  33 and name   HN)   (resid  33 and name HG12)   2.830    1.030    1.030  
assign (resid  33 and name   HN)   (resid  33 and name HG11)   2.830    1.030    1.030  
assign (resid  33 and name   HN)   (resid  33 and name HG1#)   2.645    0.845    0.845  
assign (resid  33 and name   HN)   (resid  33 and name HD1#)   3.435    1.635    1.635  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   2.610    0.810    0.810  
assign (resid  33 and name   HA)   (resid  33 and name HG1#)   2.720    0.920    0.920  
assign (resid  33 and name   HA)   (resid  36 and name  HB2)   3.200    1.400    1.400  
assign (resid  33 and name   HA)   (resid  36 and name  HB1)   2.690    0.890    0.890  
assign (resid  33 and name   HA)   (resid  36 and name  HD#)   3.955    2.155    2.155  
assign (resid  33 and name   HA)   (resid  38 and name  HB#)   4.095    2.295    2.295  
assign (resid  33 and name   HA)   (resid  38 and name HD2#)   4.165    2.365    2.365  
assign (resid  33 and name HG2#)   (resid  34 and name   HN)   3.220    1.420    1.420  
assign (resid  33 and name HG2#)   (resid  34 and name   HA)   3.390    1.590    1.590  
assign (resid  33 and name HG2#)   (resid  38 and name   HN)   3.840    2.040    2.040  
assign (resid  33 and name HG2#)   (resid  38 and name   HA)   4.165    2.365    2.365  
assign (resid  33 and name HG2#)   (resid  38 and name  HB#)   3.755    1.955    1.955  
assign (resid  33 and name HG2#)   (resid  38 and name HD1#)   4.680    2.880    2.880  
assign (resid  33 and name HG2#)   (resid  38 and name HD2#)   4.680    2.880    2.880  
assign (resid  33 and name HG2#)   (resid  39 and name   HN)   3.825    2.025    2.025  
assign (resid  33 and name HG2#)   (resid  42 and name HG1#)   4.115    2.315    2.315  
assign (resid  33 and name HD1#)   (resid  34 and name   HN)   4.055    2.255    2.255  
assign (resid  33 and name HD1#)   (resid  38 and name  HB#)   4.485    2.685    2.685  
assign (resid  33 and name HD1#)   (resid  38 and name HD2#)   4.680    2.880    2.880  
assign (resid  33 and name HD1#)   (resid  41 and name HG2#)   4.645    2.845    2.845  
assign (resid  33 and name HD1#)   (resid  42 and name HG2#)   4.120    2.320    2.320  
assign (resid  34 and name   HN)   (resid  34 and name   HA)   2.365    0.565    0.565  
assign (resid  34 and name   HN)   (resid  34 and name  HG2)   3.000    1.200    1.200  
assign (resid  34 and name   HN)   (resid  34 and name  HG1)   3.000    1.200    1.200  
assign (resid  34 and name   HN)   (resid  34 and name  HG#)   2.695    0.895    0.895  
assign (resid  34 and name   HN)   (resid  34 and name  HD#)   3.475    1.675    1.675  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   2.625    0.825    0.825  
assign (resid  34 and name   HN)   (resid  35 and name  HB#)   3.445    1.645    1.645  
assign (resid  34 and name   HA)   (resid  34 and name  HD#)   3.570    1.770    1.770  
assign (resid  34 and name   HA)   (resid  34 and name  HE#)   4.095    2.295    2.295  
assign (resid  34 and name   HA)   (resid  37 and name   HN)   2.860    1.060    1.060  
assign (resid  34 and name   HA)   (resid  38 and name   HN)   2.750    0.950    0.950  
assign (resid  34 and name   HA)   (resid  39 and name  HA2)   2.750    0.950    0.950  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.965    1.165    1.165  
assign (resid  34 and name  HG2)   (resid  39 and name  HA1)   3.450    1.650    1.650  
assign (resid  34 and name  HG2)   (resid  42 and name HD1#)   3.885    2.085    2.085  
assign (resid  34 and name  HG1)   (resid  39 and name  HA1)   3.450    1.650    1.650  
assign (resid  34 and name  HG1)   (resid  42 and name HD1#)   3.885    2.085    2.085  
assign (resid  34 and name  HG#)   (resid  39 and name  HA1)   3.240    1.440    1.440  
assign (resid  34 and name  HD#)   (resid  42 and name HD1#)   4.610    2.810    2.810  
assign (resid  34 and name  HE#)   (resid  42 and name HG2#)   4.610    2.810    2.810  
assign (resid  34 and name  HE#)   (resid  42 and name HD1#)   4.375    2.575    2.575  
assign (resid  34 and name  HE#)   (resid  44 and name HG2#)   4.610    2.810    2.810  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.825    1.025    1.025  
assign (resid  35 and name   HN)   (resid  35 and name  HG#)   3.630    1.830    1.830  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.580    0.780    0.780  
assign (resid  35 and name   HA)   (resid  35 and name  HD2)   3.310    1.510    1.510  
assign (resid  35 and name   HA)   (resid  35 and name  HD1)   3.310    1.510    1.510  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   2.550    0.750    0.750  
assign (resid  36 and name   HA)   (resid  36 and name  HG2)   2.935    1.135    1.135  
assign (resid  36 and name   HA)   (resid  36 and name  HG1)   2.935    1.135    1.135  
assign (resid  36 and name   HA)   (resid  36 and name  HG#)   2.735    0.935    0.935  
assign (resid  36 and name   HA)   (resid  36 and name  HD2)   3.260    1.460    1.460  
assign (resid  36 and name   HA)   (resid  36 and name  HD1)   3.260    1.460    1.460  
assign (resid  36 and name   HA)   (resid  36 and name  HD#)   3.190    1.390    1.390  
assign (resid  36 and name  HB2)   (resid  37 and name   HN)   2.815    1.015    1.015  
assign (resid  36 and name  HB2)   (resid  38 and name HD1#)   3.995    2.195    2.195  
assign (resid  36 and name  HB1)   (resid  36 and name  HD2)   2.970    1.170    1.170  
assign (resid  36 and name  HB1)   (resid  36 and name  HD1)   2.970    1.170    1.170  
assign (resid  36 and name  HB1)   (resid  36 and name  HD#)   2.790    0.990    0.990  
assign (resid  36 and name  HB1)   (resid  38 and name HD1#)   4.055    2.255    2.255  
assign (resid  36 and name  HG#)   (resid  37 and name   HN)   3.755    1.955    1.955  
assign (resid  36 and name  HD#)   (resid  38 and name HD2#)   4.300    2.500    2.500  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.850    1.050    1.050  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.565    0.765    0.765  
assign (resid  37 and name   HA)   (resid  39 and name   HN)   3.015    1.215    1.215  
assign (resid  38 and name   HN)   (resid  38 and name HD2#)   4.165    2.365    2.365  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.595    0.795    0.795  
assign (resid  38 and name   HA)   (resid  38 and name HD1#)   2.830    1.030    1.030  
assign (resid  38 and name   HA)   (resid  40 and name  HE3)   2.970    1.170    1.170  
assign (resid  38 and name   HA)   (resid  41 and name HD1#)   4.165    2.365    2.365  
assign (resid  38 and name   HG)   (resid  41 and name   HB)   3.170    1.370    1.370  
assign (resid  38 and name HD1#)   (resid  40 and name  HE3)   3.205    1.405    1.405  
assign (resid  38 and name HD1#)   (resid  41 and name   HB)   4.165    2.365    2.365  
assign (resid  39 and name   HN)   (resid  39 and name  HA1)   2.350    0.550    0.550  
assign (resid  39 and name  HA1)   (resid  42 and name HG2#)   3.950    2.150    2.150  
assign (resid  39 and name  HA1)   (resid  42 and name HG12)   3.215    1.415    1.415  
assign (resid  39 and name  HA1)   (resid  42 and name HG11)   3.215    1.415    1.415  
assign (resid  39 and name  HA1)   (resid  42 and name HD1#)   3.805    2.005    2.005  
assign (resid  39 and name  HA1)   (resid  44 and name HG1#)   3.915    2.115    2.115  
assign (resid  39 and name  HA1)   (resid  44 and name HG2#)   3.855    2.055    2.055  
assign (resid  39 and name  HA2)   (resid  42 and name   HB)   3.245    1.445    1.445  
assign (resid  39 and name  HA2)   (resid  42 and name HG12)   3.355    1.555    1.555  
assign (resid  39 and name  HA2)   (resid  42 and name HG11)   3.355    1.555    1.555  
assign (resid  39 and name  HA2)   (resid  42 and name HD1#)   3.295    1.495    1.495  
assign (resid  40 and name   HA)   (resid  40 and name  HB2)   2.335    0.535    0.535  
assign (resid  40 and name   HA)   (resid  40 and name  HB1)   2.335    0.535    0.535  
assign (resid  40 and name   HA)   (resid  44 and name HG2#)   4.165    2.365    2.365  
assign (resid  40 and name  HD2)   (resid  41 and name HD1#)   3.685    1.885    1.885  
assign (resid  40 and name  HE3)   (resid  41 and name HD1#)   4.055    2.255    2.255  
assign (resid  41 and name   HN)   (resid  41 and name   HB)   2.580    0.780    0.780  
assign (resid  41 and name HG2#)   (resid  42 and name   HA)   4.040    2.240    2.240  
assign (resid  41 and name HG2#)   (resid  42 and name HG2#)   4.150    2.350    2.350  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.675    0.875    0.875  
assign (resid  42 and name HG2#)   (resid  43 and name   HA)   4.165    2.365    2.365  
assign (resid  42 and name HG2#)   (resid  44 and name HG1#)   4.680    2.880    2.880  
assign (resid  42 and name HG2#)   (resid  44 and name HG2#)   4.150    2.350    2.350  
assign (resid  42 and name HG1#)   (resid  44 and name   HN)   4.095    2.295    2.295  
assign (resid  42 and name HG1#)   (resid  44 and name HG2#)   4.005    2.205    2.205  
assign (resid  42 and name HD1#)   (resid  44 and name HG1#)   4.680    2.880    2.880  
assign (resid  42 and name HD1#)   (resid  44 and name HG2#)   4.680    2.880    2.880  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   3.075    1.275    1.275  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.270    0.470    0.470  
assign (resid  43 and name   HA)   (resid  44 and name HG2#)   4.165    2.365    2.365  
assign (resid  43 and name  HB#)   (resid  44 and name   HA)   3.645    1.845    1.845  
assign (resid  43 and name  HB#)   (resid  44 and name HG2#)   4.610    2.810    2.810  
assign (resid  44 and name   HN)   (resid  44 and name   HB)   2.505    0.705    0.705  
assign (resid  44 and name   HN)   (resid  44 and name HG2#)   3.095    1.295    1.295  
assign (resid  44 and name HG1#)   (resid  45 and name   HA)   4.165    2.365    2.365  
assign (resid  44 and name HG2#)   (resid  46 and name   HN)   4.165    2.365    2.365  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.505    0.705    0.705 

*LIST OF HYDROGEN-BOND RESTRAINTS* 
assign (resid   6 and name    O)   (resid  10 and name    N)   3.000    0.300    0.300  
assign (resid   6 and name    O)   (resid  10 and name   HN)   2.000    0.300    0.300  
assign (resid   7 and name    O)   (resid  11 and name    N)   3.000    0.300    0.300  
assign (resid   7 and name    O)   (resid  11 and name   HN)   2.000    0.300    0.300  
assign (resid   9 and name    O)   (resid  13 and name    N)   3.000    0.300    0.300  
assign (resid   9 and name    O)   (resid  13 and name   HN)   2.000    0.300    0.300  
assign (resid  11 and name    O)   (resid  15 and name    N)   3.000    0.300    0.300  
assign (resid  11 and name    O)   (resid  15 and name   HN)   2.000    0.300    0.300  
assign (resid  13 and name    O)   (resid  17 and name    N)   3.000    0.300    0.300  
assign (resid  13 and name    O)   (resid  17 and name   HN)   2.000    0.300    0.300  
assign (resid  14 and name    O)   (resid  18 and name    N)   3.000    0.300    0.300  
assign (resid  14 and name    O)   (resid  18 and name   HN)   2.000    0.300    0.300  
assign (resid  16 and name    O)   (resid  20 and name    N)   3.000    0.300    0.300  
assign (resid  16 and name    O)   (resid  20 and name   HN)   2.000    0.300    0.300  
assign (resid  22 and name    O)   (resid  25 and name    N)   3.000    0.300    0.300  
assign (resid  22 and name    O)   (resid  25 and name   HN)   2.000    0.300    0.300  
assign (resid  23 and name    O)   (resid  27 and name    N)   3.000    0.300    0.300  
assign (resid  23 and name    O)   (resid  27 and name   HN)   2.000    0.300    0.300  
assign (resid  24 and name    O)   (resid  28 and name    N)   3.000    0.300    0.300  
assign (resid  24 and name    O)   (resid  28 and name   HN)   2.000    0.300    0.300  
assign (resid  25 and name    O)   (resid  29 and name    N)   3.000    0.300    0.300  
assign (resid  25 and name    O)   (resid  29 and name   HN)   2.000    0.300    0.300  
assign (resid  28 and name    O)   (resid  32 and name    N)   3.000    0.300    0.300  
assign (resid  28 and name    O)   (resid  32 and name   HN)   2.000    0.300    0.300  
assign (resid  29 and name    O)   (resid  33 and name    N)   3.000    0.300    0.300  
assign (resid  29 and name    O)   (resid  33 and name   HN)   2.000    0.300    0.300  
assign (resid  30 and name    O)   (resid  34 and name    N)   3.000    0.300    0.300  
assign (resid  30 and name    O)   (resid  34 and name   HN)   2.000    0.300    0.300  
assign (resid  34 and name    O)   (resid  37 and name    N)   3.000    0.300    0.300  
assign (resid  34 and name    O)   (resid  37 and name   HN)   2.000    0.300    0.300

*LIST OF ANGLE RESTRAINTS*
assign (resid   1 and name    C)    (resid   2 and name    N)
       (resid   2 and name   CA)    (resid   2 and name    C)     1.0    -65.0    -18.0   2

assign (resid   2 and name    N)    (resid   2 and name   CA)
       (resid   2 and name    C)    (resid   3 and name    N)     1.0    -31.0    -20.0   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    -80.0   2

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

assign (resid   5 and name    N)    (resid   5 and name   CA)
       (resid   5 and name    C)    (resid   6 and name    N)     1.0    152.0    -62.0   2

assign (resid   5 and name    C)    (resid   6 and name    N)
       (resid   6 and name   CA)    (resid   6 and name    C)     1.0    -63.0    -12.0   2

assign (resid   6 and name    N)    (resid   6 and name   CA)
       (resid   6 and name    C)    (resid   7 and name    N)     1.0    -35.0    -20.0   2

assign (resid   6 and name    C)    (resid   7 and name    N)
       (resid   7 and name   CA)    (resid   7 and name    C)     1.0    -65.0    -12.0   2

assign (resid   7 and name    N)    (resid   7 and name   CA)
       (resid   7 and name    C)    (resid   8 and name    N)     1.0    -35.0    -20.0   2

assign (resid   7 and name    C)    (resid   8 and name    N)
       (resid   8 and name   CA)    (resid   8 and name    C)     1.0    -66.0    -16.0   2

assign (resid   8 and name    N)    (resid   8 and name   CA)
       (resid   8 and name    C)    (resid   9 and name    N)     1.0    -36.0     -8.0   2

assign (resid   8 and name    N)    (resid   8 and name   CA)
       (resid   8 and name   CB)    (resid   8 and name   CG)     1.0    -60.0    -25.0   2

assign (resid   8 and name    C)    (resid   9 and name    N)
       (resid   9 and name   CA)    (resid   9 and name    C)     1.0    -65.0    -10.0   2

assign (resid   9 and name    N)    (resid   9 and name   CA)
       (resid   9 and name    C)    (resid  10 and name    N)     1.0    -41.0     -6.0   2

assign (resid   9 and name    N)    (resid   9 and name   CA)
       (resid   9 and name   CB)    (resid   9 and name   CG)     1.0    180.0    -25.0   2

assign (resid   9 and name    C)    (resid  10 and name    N)
       (resid  10 and name   CA)    (resid  10 and name    C)     1.0    -67.0    -14.0   2

assign (resid  10 and name    N)    (resid  10 and name   CA)
       (resid  10 and name    C)    (resid  11 and name    N)     1.0    -41.0    -22.0   2

assign (resid  10 and name    N)    (resid  10 and name   CA)
       (resid  10 and name   CB)    (resid  10 and name  CG1)     1.0    -60.0    -25.0   2

assign (resid  10 and name    C)    (resid  11 and name    N)
       (resid  11 and name   CA)    (resid  11 and name    C)     1.0    -61.0    -14.0   2

assign (resid  11 and name    N)    (resid  11 and name   CA)
       (resid  11 and name    C)    (resid  12 and name    N)     1.0    -41.0    -12.0   2

assign (resid  11 and name    C)    (resid  12 and name    N)
       (resid  12 and name   CA)    (resid  12 and name    C)     1.0    -66.0     -8.0   2

assign (resid  12 and name    N)    (resid  12 and name   CA)
       (resid  12 and name    C)    (resid  13 and name    N)     1.0    -42.0     -8.0   2

assign (resid  12 and name    C)    (resid  13 and name    N)
       (resid  13 and name   CA)    (resid  13 and name    C)     1.0    -68.0    -16.0   2

assign (resid  13 and name    N)    (resid  13 and name   CA)
       (resid  13 and name    C)    (resid  14 and name    N)     1.0    -41.0    -18.0   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    -25.0   2

assign (resid  13 and name    C)    (resid  14 and name    N)
       (resid  14 and name   CA)    (resid  14 and name    C)     1.0    -64.0    -12.0   2

assign (resid  14 and name    N)    (resid  14 and name   CA)
       (resid  14 and name    C)    (resid  15 and name    N)     1.0    -36.0    -22.0   2

assign (resid  14 and name    N)    (resid  14 and name   CA)
       (resid  14 and name   CB)    (resid  14 and name   CG)     1.0    -60.0    -25.0   2

assign (resid  14 and name    C)    (resid  15 and name    N)
       (resid  15 and name   CA)    (resid  15 and name    C)     1.0    -63.0    -12.0   2

assign (resid  15 and name    N)    (resid  15 and name   CA)
       (resid  15 and name    C)    (resid  16 and name    N)     1.0    -40.0    -18.0   2

assign (resid  15 and name    C)    (resid  16 and name    N)
       (resid  16 and name   CA)    (resid  16 and name    C)     1.0    -64.0    -12.0   2

assign (resid  16 and name    N)    (resid  16 and name   CA)
       (resid  16 and name    C)    (resid  17 and name    N)     1.0    -44.0    -18.0   2

assign (resid  16 and name    C)    (resid  17 and name    N)
       (resid  17 and name   CA)    (resid  17 and name    C)     1.0    -65.0    -12.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name    C)    (resid  18 and name    N)     1.0    -39.0     -6.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name   CB)    (resid  17 and name  OG1)     1.0     60.0    -25.0   2

assign (resid  17 and name    C)    (resid  18 and name    N)
       (resid  18 and name   CA)    (resid  18 and name    C)     1.0    -67.0    -16.0   2

assign (resid  18 and name    N)    (resid  18 and name   CA)
       (resid  18 and name    C)    (resid  19 and name    N)     1.0    -28.0    -28.0   2

assign (resid  18 and name    C)    (resid  19 and name    N)
       (resid  19 and name   CA)    (resid  19 and name    C)     1.0    -93.0    -48.0   2

assign (resid  19 and name    N)    (resid  19 and name   CA)
       (resid  19 and name    C)    (resid  20 and name    N)     1.0     -1.0    -46.0   2

assign (resid  19 and name    N)    (resid  19 and name   CA)
       (resid  19 and name   CB)    (resid  19 and name   CG)     1.0      0.0    -85.0   2

assign (resid  20 and name    N)    (resid  20 and name   CA)
       (resid  20 and name   CB)    (resid  20 and name   CG)     1.0    -60.0    -25.0   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    -80.0   2

assign (resid  21 and name    N)    (resid  21 and name   CA)
       (resid  21 and name   CB)    (resid  21 and name   CG)     1.0    180.0    -25.0   2

assign (resid  21 and name    C)    (resid  22 and name    N)
       (resid  22 and name   CA)    (resid  22 and name    C)     1.0   -100.0    -80.0   2

assign (resid  22 and name    N)    (resid  22 and name   CA)
       (resid  22 and name   CB)    (resid  22 and name   CG)     1.0    180.0    -25.0   2

assign (resid  22 and name    C)    (resid  23 and name    N)
       (resid  23 and name   CA)    (resid  23 and name    C)     1.0    -64.0    -20.0   2

assign (resid  23 and name    N)    (resid  23 and name   CA)
       (resid  23 and name    C)    (resid  24 and name    N)     1.0    -43.0    -18.0   2

assign (resid  23 and name    N)    (resid  23 and name   CA)
       (resid  23 and name   CB)    (resid  23 and name   CG)     1.0    180.0    -25.0   2

assign (resid  23 and name    C)    (resid  24 and name    N)
       (resid  24 and name   CA)    (resid  24 and name    C)     1.0    -63.0    -14.0   2

assign (resid  24 and name    N)    (resid  24 and name   CA)
       (resid  24 and name    C)    (resid  25 and name    N)     1.0    -35.0    -12.0   2

assign (resid  24 and name    C)    (resid  25 and name    N)
       (resid  25 and name   CA)    (resid  25 and name    C)     1.0    -66.0    -10.0   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name    C)    (resid  26 and name    N)     1.0    -44.0    -14.0   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name   CB)    (resid  25 and name   CG)     1.0    180.0    -25.0   2

assign (resid  25 and name    C)    (resid  26 and name    N)
       (resid  26 and name   CA)    (resid  26 and name    C)     1.0    -65.0    -16.0   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name    C)    (resid  27 and name    N)     1.0    -42.0    -16.0   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name   CB)    (resid  26 and name  CG1)     1.0    -60.0    -25.0   2

assign (resid  26 and name    C)    (resid  27 and name    N)
       (resid  27 and name   CA)    (resid  27 and name    C)     1.0    -63.0    -12.0   2

assign (resid  27 and name    N)    (resid  27 and name   CA)
       (resid  27 and name    C)    (resid  28 and name    N)     1.0    -38.0    -24.0   2

assign (resid  27 and name    C)    (resid  28 and name    N)
       (resid  28 and name   CA)    (resid  28 and name    C)     1.0    -64.0    -12.0   2

assign (resid  28 and name    N)    (resid  28 and name   CA)
       (resid  28 and name    C)    (resid  29 and name    N)     1.0    -42.0     -8.0   2

assign (resid  28 and name    C)    (resid  29 and name    N)
       (resid  29 and name   CA)    (resid  29 and name    C)     1.0    -69.0    -14.0   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     -8.0   2

assign (resid  29 and name    N)    (resid  29 and name   CA)
       (resid  29 and name   CB)    (resid  29 and name  CG1)     1.0    -60.0    -25.0   2

assign (resid  29 and name    C)    (resid  30 and name    N)
       (resid  30 and name   CA)    (resid  30 and name    C)     1.0    -64.0    -12.0   2

assign (resid  30 and name    N)    (resid  30 and name   CA)
       (resid  30 and name    C)    (resid  31 and name    N)     1.0    -39.0    -14.0   2

assign (resid  30 and name    N)    (resid  30 and name   CA)
       (resid  30 and name   CB)    (resid  30 and name   CG)     1.0    180.0    -25.0   2

assign (resid  30 and name    C)    (resid  31 and name    N)
       (resid  31 and name   CA)    (resid  31 and name    C)     1.0    -66.0    -14.0   2

assign (resid  31 and name    N)    (resid  31 and name   CA)
       (resid  31 and name    C)    (resid  32 and name    N)     1.0    -35.0    -20.0   2

assign (resid  31 and name    N)    (resid  31 and name   CA)
       (resid  31 and name   CB)    (resid  31 and name   CG)     1.0    -60.0    -25.0   2

assign (resid  31 and name    C)    (resid  32 and name    N)
       (resid  32 and name   CA)    (resid  32 and name    C)     1.0    -66.0    -14.0   2

assign (resid  32 and name    N)    (resid  32 and name   CA)
       (resid  32 and name    C)    (resid  33 and name    N)     1.0    -39.0    -16.0   2

assign (resid  32 and name    N)    (resid  32 and name   CA)
       (resid  32 and name   CB)    (resid  32 and name   CG)     1.0    180.0    -25.0   2

assign (resid  32 and name    C)    (resid  33 and name    N)
       (resid  33 and name   CA)    (resid  33 and name    C)     1.0    -66.0    -12.0   2

assign (resid  33 and name    N)    (resid  33 and name   CA)
       (resid  33 and name    C)    (resid  34 and name    N)     1.0    -42.0    -10.0   2

assign (resid  33 and name    C)    (resid  34 and name    N)
       (resid  34 and name   CA)    (resid  34 and name    C)     1.0    -65.0    -10.0   2

assign (resid  34 and name    N)    (resid  34 and name   CA)
       (resid  34 and name    C)    (resid  35 and name    N)     1.0    -37.0    -12.0   2

assign (resid  34 and name    C)    (resid  35 and name    N)
       (resid  35 and name   CA)    (resid  35 and name    C)     1.0    -68.0    -16.0   2

assign (resid  35 and name    N)    (resid  35 and name   CA)
       (resid  35 and name    C)    (resid  36 and name    N)     1.0    -28.0    -28.0   2

assign (resid  35 and name    C)    (resid  36 and name    N)
       (resid  36 and name   CA)    (resid  36 and name    C)     1.0    -85.0    -40.0   2

assign (resid  36 and name    N)    (resid  36 and name   CA)
       (resid  36 and name    C)    (resid  37 and name    N)     1.0     -4.0    -54.0   2

assign (resid  36 and name    N)    (resid  36 and name   CA)
       (resid  36 and name   CB)    (resid  36 and name   CG)     1.0    -60.0    -25.0   2

assign (resid  37 and name    N)    (resid  37 and name   CA)
       (resid  37 and name   CB)    (resid  37 and name   OG)     1.0    180.0    -25.0   2

assign (resid  37 and name    C)    (resid  38 and name    N)
       (resid  38 and name   CA)    (resid  38 and name    C)     1.0    -93.0    -30.0   2

assign (resid  38 and name    N)    (resid  38 and name   CA)
       (resid  38 and name    C)    (resid  39 and name    N)     1.0     -6.0    -34.0   2

assign (resid  38 and name    N)    (resid  38 and name   CA)
       (resid  38 and name   CB)    (resid  38 and name   CG)     1.0    180.0    -25.0   2

assign (resid  39 and name    C)    (resid  40 and name    N)
       (resid  40 and name   CA)    (resid  40 and name    C)     1.0    -74.0    -20.0   2

assign (resid  40 and name    N)    (resid  40 and name   CA)
       (resid  40 and name    C)    (resid  41 and name    N)     1.0    -22.0    -32.0   2

assign (resid  41 and name    N)    (resid  41 and name   CA)
       (resid  41 and name   CB)    (resid  41 and name  CG1)     1.0    180.0    -25.0   2

assign (resid  43 and name    N)    (resid  43 and name   CA)
       (resid  43 and name   CB)    (resid  43 and name   OG)     1.0    180.0    -25.0   2

assign (resid  43 and name    C)    (resid  44 and name    N)
       (resid  44 and name   CA)    (resid  44 and name    C)     1.0    -94.0    -28.0   2

assign (resid  44 and name    N)    (resid  44 and name   CA)
       (resid  44 and name    C)    (resid  45 and name    N)     1.0    143.0    -30.0   2

assign (resid  44 and name    N)    (resid  44 and name   CA)
       (resid  44 and name   CB)    (resid  44 and name  CG1)     1.0    180.0    -25.0   2

assign (resid  44 and name    C)    (resid  45 and name    N)
       (resid  45 and name   CA)    (resid  45 and name    C)     1.0    -83.0    -34.0   2

assign (resid  45 and name    N)    (resid  45 and name   CA)
       (resid  45 and name    C)    (resid  46 and name    N)     1.0    127.0    -36.0   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

  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  12.674  -5.303  -2.066
    2   2H    MET   1          2HT       MET   1  11.410  -6.133  -1.257
    3   3H    MET   1          3HT       MET   1  11.420  -4.418  -1.304
    4    HA   MET   1           HA       MET   1   9.878  -4.975  -2.859
    5   1HB   MET   1          2HB       MET   1  12.589  -4.310  -3.862
    6   2HB   MET   1          1HB       MET   1  11.411  -4.791  -5.075
    7   1HG   MET   1          2HG       MET   1  11.336  -2.437  -4.928
    8   2HG   MET   1          1HG       MET   1   9.877  -3.047  -4.151
    9   1HE   MET   1          1HE       MET   1   9.172  -1.500  -1.855
   10   2HE   MET   1          2HE       MET   1  10.113  -2.250  -0.566
   11   3HE   MET   1          3HE       MET   1   9.434  -3.243  -1.855
   12    H    ARG   2           H        ARG   2  12.797  -6.858  -3.680
   13    HA   ARG   2           HA       ARG   2  11.230  -8.798  -5.133
   14   1HB   ARG   2          2HB       ARG   2  14.154  -8.467  -4.535
   15   2HB   ARG   2          1HB       ARG   2  13.546  -9.974  -5.206
   16   1HG   ARG   2          2HG       ARG   2  12.806  -8.905  -7.181
   17   2HG   ARG   2          1HG       ARG   2  13.046  -7.302  -6.484
   18   1HD   ARG   2          2HD       ARG   2  14.977  -7.399  -7.653
   19   2HD   ARG   2          1HD       ARG   2  15.531  -8.282  -6.230
   20    HE   ARG   2           HE       ARG   2  14.403 -10.104  -8.034
   21   1HH1  ARG   2          1HH1      ARG   2  17.201  -8.021  -7.770
   22   2HH1  ARG   2          2HH1      ARG   2  18.193  -9.027  -8.770
   23   1HH2  ARG   2          1HH2      ARG   2  15.714 -11.420  -9.345
   24   2HH2  ARG   2          2HH2      ARG   2  17.351 -10.953  -9.663
   25    H    LYS   3           H        LYS   3  13.260  -8.843  -2.208
   26    HA   LYS   3           HA       LYS   3  11.700 -11.160  -1.277
   27   1HB   LYS   3          2HB       LYS   3  14.641 -10.792  -1.448
   28   2HB   LYS   3          1HB       LYS   3  14.026 -11.585  -0.004
   29   1HG   LYS   3          2HG       LYS   3  13.371 -13.441  -1.130
   30   2HG   LYS   3          1HG       LYS   3  13.014 -12.552  -2.612
   31   1HD   LYS   3          2HD       LYS   3  15.536 -12.224  -2.822
   32   2HD   LYS   3          1HD       LYS   3  15.683 -13.463  -1.573
   33   1HE   LYS   3          2HE       LYS   3  14.133 -13.872  -4.120
   34   2HE   LYS   3          1HE       LYS   3  15.844 -14.268  -3.964
   35   1HZ   LYS   3          1HZ       LYS   3  13.700 -15.385  -2.240
   36   2HZ   LYS   3          2HZ       LYS   3  15.331 -15.833  -2.243
   37   3HZ   LYS   3          3HZ       LYS   3  14.359 -16.177  -3.583
   38    H    LEU   4           H        LEU   4  10.693 -10.816   0.581
   39    HA   LEU   4           HA       LEU   4  11.842  -9.547   2.821
   40   1HB   LEU   4          2HB       LEU   4   9.977  -7.669   2.769
   41   2HB   LEU   4          1HB       LEU   4  11.564  -7.419   2.075
   42    HG   LEU   4           HG       LEU   4  10.735  -7.709  -0.149
   43   1HD1  LEU   4          1HD1      LEU   4   9.231  -9.475  -0.083
   44   2HD1  LEU   4          2HD1      LEU   4   8.196  -8.085  -0.414
   45   3HD1  LEU   4          3HD1      LEU   4   8.284  -8.751   1.216
   46   1HD2  LEU   4          1HD2      LEU   4  10.373  -5.507   0.566
   47   2HD2  LEU   4          2HD2      LEU   4   9.012  -5.971   1.588
   48   3HD2  LEU   4          3HD2      LEU   4   8.847  -6.000  -0.169
   49    H    SER   5           H        SER   5  10.577  -9.747   4.670
   50    HA   SER   5           HA       SER   5   8.656 -11.814   4.648
   51   1HB   SER   5          2HB       SER   5   8.232 -10.868   7.060
   52   2HB   SER   5          1HB       SER   5   9.763 -11.653   6.680
   53    HG   SER   5           HG       SER   5  10.691  -9.848   7.175
   54    H    ASP   6           H        ASP   6   6.419 -11.759   5.095
   55    HA   ASP   6           HA       ASP   6   4.994  -9.728   3.753
   56   1HB   ASP   6          2HB       ASP   6   3.568 -11.357   5.820
   57   2HB   ASP   6          1HB       ASP   6   3.053 -10.891   4.209
   58    H    GLU   7           H        GLU   7   5.950 -10.154   7.077
   59    HA   GLU   7           HA       GLU   7   4.223  -8.238   8.219
   60   1HB   GLU   7          2HB       GLU   7   6.570  -9.778   9.058
   61   2HB   GLU   7          1HB       GLU   7   6.477  -8.193   9.815
   62   1HG   GLU   7          2HG       GLU   7   3.927  -9.059  10.110
   63   2HG   GLU   7          1HG       GLU   7   4.818 -10.577  10.206
   64    H    LEU   8           H        LEU   8   7.428  -8.026   6.788
   65    HA   LEU   8           HA       LEU   8   7.657  -5.209   7.368
   66   1HB   LEU   8          2HB       LEU   8   9.356  -7.230   6.000
   67   2HB   LEU   8          1HB       LEU   8   9.632  -5.532   5.652
   68    HG   LEU   8           HG       LEU   8   9.675  -5.321   8.274
   69   1HD1  LEU   8          1HD1      LEU   8  10.891  -8.018   8.140
   70   2HD1  LEU   8          2HD1      LEU   8   9.134  -7.911   8.252
   71   3HD1  LEU   8          3HD1      LEU   8  10.144  -7.173   9.495
   72   1HD2  LEU   8          1HD2      LEU   8  11.866  -6.313   6.481
   73   2HD2  LEU   8          2HD2      LEU   8  12.152  -5.858   8.161
   74   3HD2  LEU   8          3HD2      LEU   8  11.541  -4.665   7.015
   75    H    LEU   9           H        LEU   9   6.924  -7.239   4.581
   76    HA   LEU   9           HA       LEU   9   6.828  -5.181   2.656
   77   1HB   LEU   9          2HB       LEU   9   6.928  -7.509   1.993
   78   2HB   LEU   9          1HB       LEU   9   5.401  -7.839   2.787
   79    HG   LEU   9           HG       LEU   9   4.371  -6.175   1.133
   80   1HD1  LEU   9          1HD1      LEU   9   6.825  -5.478   0.485
   81   2HD1  LEU   9          2HD1      LEU   9   5.527  -5.474  -0.709
   82   3HD1  LEU   9          3HD1      LEU   9   6.664  -6.821  -0.646
   83   1HD2  LEU   9          1HD2      LEU   9   4.129  -7.889  -0.571
   84   2HD2  LEU   9          2HD2      LEU   9   4.053  -8.608   1.038
   85   3HD2  LEU   9          3HD2      LEU   9   5.524  -8.754   0.076
   86    H    ILE  10           H        ILE  10   4.404  -6.583   4.794
   87    HA   ILE  10           HA       ILE  10   2.296  -4.921   3.822
   88    HB   ILE  10           HB       ILE  10   2.476  -6.585   6.330
   89   1HG1  ILE  10          2HG1      ILE  10   0.821  -7.206   3.914
   90   2HG1  ILE  10          1HG1      ILE  10   2.540  -7.578   3.906
   91   1HG2  ILE  10          1HG2      ILE  10   0.085  -6.345   6.530
   92   2HG2  ILE  10          2HG2      ILE  10   0.023  -5.370   5.062
   93   3HG2  ILE  10          3HG2      ILE  10   0.821  -4.742   6.504
   94   1HD1  ILE  10          1HD1      ILE  10   2.259  -9.355   5.194
   95   2HD1  ILE  10          2HD1      ILE  10   0.547  -9.192   4.826
   96   3HD1  ILE  10          3HD1      ILE  10   1.197  -8.492   6.304
   97    H    GLU  11           H        GLU  11   4.655  -4.792   6.396
   98    HA   GLU  11           HA       GLU  11   3.559  -2.643   7.852
   99   1HB   GLU  11          2HB       GLU  11   6.178  -3.984   7.662
  100   2HB   GLU  11          1HB       GLU  11   6.235  -2.339   8.247
  101   1HG   GLU  11          2HG       GLU  11   4.386  -4.382   9.426
  102   2HG   GLU  11          1HG       GLU  11   6.053  -4.196   9.969
  103    H    SER  12           H        SER  12   5.367  -2.834   4.877
  104    HA   SER  12           HA       SER  12   6.095  -0.062   4.798
  105   1HB   SER  12          2HB       SER  12   7.056  -2.145   3.460
  106   2HB   SER  12          1HB       SER  12   5.810  -1.687   2.298
  107    HG   SER  12           HG       SER  12   8.195  -0.590   2.655
  108    H    TYR  13           H        TYR  13   3.558  -2.058   3.336
  109    HA   TYR  13           HA       TYR  13   2.264   0.030   1.940
  110   1HB   TYR  13          2HB       TYR  13   1.875  -2.383   1.505
  111   2HB   TYR  13          1HB       TYR  13   1.061  -2.514   3.058
  112    HD1  TYR  13           1HD      TYR  13  -1.239  -2.241   3.156
  113    HD2  TYR  13           2HD      TYR  13   0.886  -0.613  -0.150
  114    HE1  TYR  13           1HE      TYR  13  -3.370  -1.622   2.100
  115    HE2  TYR  13           2HE      TYR  13  -1.240   0.012  -1.215
  116    HH   TYR  13           HH       TYR  13  -4.221  -1.172  -0.205
  117    H    PHE  14           H        PHE  14   1.912  -1.297   5.180
  118    HA   PHE  14           HA       PHE  14  -0.348   0.271   5.904
  119   1HB   PHE  14          2HB       PHE  14   1.683  -1.273   7.493
  120   2HB   PHE  14          1HB       PHE  14   0.382  -0.387   8.265
  121    HD1  PHE  14           1HD      PHE  14  -0.169  -2.621   9.271
  122    HD2  PHE  14           2HD      PHE  14  -0.497  -1.876   5.090
  123    HE1  PHE  14           1HE      PHE  14  -1.622  -4.591   9.032
  124    HE2  PHE  14           2HE      PHE  14  -1.949  -3.841   4.850
  125    HZ   PHE  14           HZ       PHE  14  -2.512  -5.208   6.819
  126    H    LYS  15           H        LYS  15   3.130   0.559   6.540
  127    HA   LYS  15           HA       LYS  15   3.021   2.919   8.058
  128   1HB   LYS  15          2HB       LYS  15   5.155   1.571   6.441
  129   2HB   LYS  15          1HB       LYS  15   5.444   3.175   7.090
  130   1HG   LYS  15          2HG       LYS  15   4.879   2.272   9.355
  131   2HG   LYS  15          1HG       LYS  15   4.845   0.665   8.636
  132   1HD   LYS  15          2HD       LYS  15   7.230   2.451   8.310
  133   2HD   LYS  15          1HD       LYS  15   7.020   1.469   9.763
  134   1HE   LYS  15          2HE       LYS  15   7.113  -0.540   8.548
  135   2HE   LYS  15          1HE       LYS  15   6.860   0.283   7.008
  136   1HZ   LYS  15          1HZ       LYS  15   9.225   1.048   8.527
  137   2HZ   LYS  15          2HZ       LYS  15   9.024   0.858   6.858
  138   3HZ   LYS  15          3HZ       LYS  15   9.239  -0.501   7.844
  139    H    ALA  16           H        ALA  16   3.441   2.381   4.586
  140    HA   ALA  16           HA       ALA  16   3.852   5.037   3.837
  141   1HB   ALA  16          1HB       ALA  16   4.380   3.441   2.222
  142   2HB   ALA  16          2HB       ALA  16   2.934   4.226   1.585
  143   3HB   ALA  16          3HB       ALA  16   2.811   2.647   2.362
  144    H    THR  17           H        THR  17   0.857   3.243   4.344
  145    HA   THR  17           HA       THR  17  -0.843   5.239   3.257
  146    HB   THR  17           HB       THR  17  -2.659   4.043   4.380
  147    HG1  THR  17           1HG      THR  17  -1.928   3.402   6.301
  148   1HG2  THR  17          1HG2      THR  17  -1.541   1.591   3.698
  149   2HG2  THR  17          2HG2      THR  17  -0.774   2.767   2.630
  150   3HG2  THR  17          3HG2      THR  17  -2.533   2.638   2.682
  151    H    GLU  18           H        GLU  18   0.581   4.706   6.405
  152    HA   GLU  18           HA       GLU  18  -1.037   6.633   7.762
  153   1HB   GLU  18          2HB       GLU  18   1.063   4.756   8.444
  154   2HB   GLU  18          1HB       GLU  18   1.302   6.298   9.254
  155   1HG   GLU  18          2HG       GLU  18  -1.331   5.919   9.694
  156   2HG   GLU  18          1HG       GLU  18  -0.765   4.250   9.650
  157    H    MET  19           H        MET  19   2.237   6.644   6.431
  158    HA   MET  19           HA       MET  19   2.654   9.401   7.169
  159   1HB   MET  19          2HB       MET  19   4.843   9.125   6.231
  160   2HB   MET  19          1HB       MET  19   4.472   7.720   7.210
  161   1HG   MET  19          2HG       MET  19   4.028   6.413   5.249
  162   2HG   MET  19          1HG       MET  19   4.216   7.827   4.216
  163   1HE   MET  19          1HE       MET  19   5.797   4.876   5.905
  164   2HE   MET  19          2HE       MET  19   7.330   4.853   5.034
  165   3HE   MET  19          3HE       MET  19   5.808   4.834   4.143
  166    H    ASN  20           H        ASN  20   1.265   7.780   4.517
  167    HA   ASN  20           HA       ASN  20   0.300   8.576   2.612
  168   1HB   ASN  20          2HB       ASN  20   1.499  11.290   3.121
  169   2HB   ASN  20          1HB       ASN  20   0.070  10.893   2.176
  170   1HD2  ASN  20          1HD2      ASN  20   1.241  11.885   5.162
  171   2HD2  ASN  20          2HD2      ASN  20  -0.220  11.736   6.071
  172    H    LEU  21           H        LEU  21   2.795   7.327   2.704
  173    HA   LEU  21           HA       LEU  21   4.847   8.530   1.251
  174   1HB   LEU  21          2HB       LEU  21   4.667   6.240   2.519
  175   2HB   LEU  21          1HB       LEU  21   4.218   5.619   0.944
  176    HG   LEU  21           HG       LEU  21   6.759   7.169   1.337
  177   1HD1  LEU  21          1HD1      LEU  21   6.122   4.433   2.215
  178   2HD1  LEU  21          2HD1      LEU  21   7.360   5.554   2.782
  179   3HD1  LEU  21          3HD1      LEU  21   7.622   4.624   1.307
  180   1HD2  LEU  21          1HD2      LEU  21   6.917   6.835  -0.857
  181   2HD2  LEU  21          2HD2      LEU  21   5.451   5.855  -0.862
  182   3HD2  LEU  21          3HD2      LEU  21   7.015   5.102  -0.551
  183    H    ASN  22           H        ASN  22   5.492   8.215  -0.979
  184    HA   ASN  22           HA       ASN  22   3.750   9.010  -2.893
  185   1HB   ASN  22          2HB       ASN  22   6.313   8.617  -3.004
  186   2HB   ASN  22          1HB       ASN  22   5.882   7.030  -3.634
  187   1HD2  ASN  22          1HD2      ASN  22   7.039   9.714  -4.690
  188   2HD2  ASN  22          2HD2      ASN  22   6.205   9.918  -6.190
  189    H    ARG  23           H        ARG  23   2.298   8.169  -4.294
  190    HA   ARG  23           HA       ARG  23   0.899   5.853  -3.637
  191   1HB   ARG  23          2HB       ARG  23   0.242   7.911  -5.104
  192   2HB   ARG  23          1HB       ARG  23   0.867   6.937  -6.428
  193   1HG   ARG  23          2HG       ARG  23  -0.875   5.511  -6.383
  194   2HG   ARG  23          1HG       ARG  23  -1.035   5.586  -4.628
  195   1HD   ARG  23          2HD       ARG  23  -1.811   7.863  -6.435
  196   2HD   ARG  23          1HD       ARG  23  -2.934   6.582  -5.984
  197    HE   ARG  23           HE       ARG  23  -1.744   7.688  -3.674
  198   1HH1  ARG  23          1HH1      ARG  23  -4.113   8.443  -6.135
  199   2HH1  ARG  23          2HH1      ARG  23  -5.021   9.500  -5.106
  200   1HH2  ARG  23          1HH2      ARG  23  -2.942   9.076  -2.330
  201   2HH2  ARG  23          2HH2      ARG  23  -4.358   9.858  -2.950
  202    H    ASP  24           H        ASP  24   3.649   6.292  -5.731
  203    HA   ASP  24           HA       ASP  24   3.389   3.905  -7.198
  204   1HB   ASP  24          2HB       ASP  24   5.659   5.762  -6.600
  205   2HB   ASP  24          1HB       ASP  24   6.000   4.210  -7.356
  206    H    PHE  25           H        PHE  25   4.912   4.622  -4.104
  207    HA   PHE  25           HA       PHE  25   6.045   2.012  -3.794
  208   1HB   PHE  25          2HB       PHE  25   6.694   4.270  -2.622
  209   2HB   PHE  25          1HB       PHE  25   5.437   3.818  -1.475
  210    HD1  PHE  25           1HD      PHE  25   6.395   3.066   0.467
  211    HD2  PHE  25           2HD      PHE  25   8.070   1.864  -3.256
  212    HE1  PHE  25           1HE      PHE  25   7.996   1.626   1.657
  213    HE2  PHE  25           2HE      PHE  25   9.674   0.421  -2.073
  214    HZ   PHE  25           HZ       PHE  25   9.639   0.301   0.387
  215    H    ILE  26           H        ILE  26   3.164   3.693  -2.676
  216    HA   ILE  26           HA       ILE  26   2.119   1.682  -1.022
  217    HB   ILE  26           HB       ILE  26   0.713   3.824  -2.629
  218   1HG1  ILE  26          2HG1      ILE  26   1.516   3.696   0.284
  219   2HG1  ILE  26          1HG1      ILE  26   2.294   4.670  -0.959
  220   1HG2  ILE  26          1HG2      ILE  26  -1.139   3.482  -0.927
  221   2HG2  ILE  26          2HG2      ILE  26  -0.354   1.955  -0.523
  222   3HG2  ILE  26          3HG2      ILE  26  -0.966   2.227  -2.154
  223   1HD1  ILE  26          1HD1      ILE  26   0.908   6.124   0.262
  224   2HD1  ILE  26          2HD1      ILE  26  -0.450   5.001   0.206
  225   3HD1  ILE  26          3HD1      ILE  26   0.073   5.824  -1.262
  226    H    GLU  27           H        GLU  27   1.726   2.341  -4.481
  227    HA   GLU  27           HA       GLU  27  -0.058   0.142  -4.900
  228   1HB   GLU  27          2HB       GLU  27   0.525   2.387  -6.322
  229   2HB   GLU  27          1HB       GLU  27   1.453   1.189  -7.210
  230   1HG   GLU  27          2HG       GLU  27  -0.395   0.101  -7.961
  231   2HG   GLU  27          1HG       GLU  27  -1.359   0.531  -6.549
  232    H    LEU  28           H        LEU  28   3.383   0.694  -5.139
  233    HA   LEU  28           HA       LEU  28   4.056  -1.681  -6.512
  234   1HB   LEU  28          2HB       LEU  28   5.707  -0.029  -6.518
  235   2HB   LEU  28          1HB       LEU  28   5.536   0.290  -4.806
  236    HG   LEU  28           HG       LEU  28   6.641  -2.349  -5.677
  237   1HD1  LEU  28          1HD1      LEU  28   8.044   0.300  -5.772
  238   2HD1  LEU  28          2HD1      LEU  28   8.021  -0.986  -6.979
  239   3HD1  LEU  28          3HD1      LEU  28   8.920  -1.202  -5.477
  240   1HD2  LEU  28          1HD2      LEU  28   6.387  -2.300  -3.387
  241   2HD2  LEU  28          2HD2      LEU  28   6.745  -0.577  -3.277
  242   3HD2  LEU  28          3HD2      LEU  28   8.046  -1.730  -3.567
  243    H    ILE  29           H        ILE  29   3.957  -0.863  -3.056
  244    HA   ILE  29           HA       ILE  29   4.734  -3.443  -2.167
  245    HB   ILE  29           HB       ILE  29   3.139  -1.377  -0.642
  246   1HG1  ILE  29          2HG1      ILE  29   6.080  -1.701  -0.293
  247   2HG1  ILE  29          1HG1      ILE  29   5.520  -0.836  -1.720
  248   1HG2  ILE  29          1HG2      ILE  29   4.157  -2.466   1.333
  249   2HG2  ILE  29          2HG2      ILE  29   4.841  -3.692   0.266
  250   3HG2  ILE  29          3HG2      ILE  29   3.092  -3.537   0.424
  251   1HD1  ILE  29          1HD1      ILE  29   5.902   0.181   0.842
  252   2HD1  ILE  29          2HD1      ILE  29   4.153   0.100   0.627
  253   3HD1  ILE  29          3HD1      ILE  29   5.144   0.990  -0.529
  254    H    GLU  30           H        GLU  30   1.686  -1.955  -3.011
  255    HA   GLU  30           HA       GLU  30   0.060  -4.057  -1.923
  256   1HB   GLU  30          2HB       GLU  30  -0.606  -1.600  -2.395
  257   2HB   GLU  30          1HB       GLU  30  -0.824  -2.131  -4.057
  258   1HG   GLU  30          2HG       GLU  30  -2.139  -3.859  -2.117
  259   2HG   GLU  30          1HG       GLU  30  -2.720  -2.196  -2.081
  260    H    ASN  31           H        ASN  31   1.541  -3.300  -4.999
  261    HA   ASN  31           HA       ASN  31   0.122  -5.188  -6.562
  262   1HB   ASN  31          2HB       ASN  31   2.615  -3.582  -6.902
  263   2HB   ASN  31          1HB       ASN  31   2.351  -4.937  -7.990
  264   1HD2  ASN  31          1HD2      ASN  31  -0.137  -2.860  -6.597
  265   2HD2  ASN  31          2HD2      ASN  31  -0.650  -2.174  -8.095
  266    H    GLU  32           H        GLU  32   2.911  -5.408  -4.482
  267    HA   GLU  32           HA       GLU  32   3.684  -8.019  -5.446
  268   1HB   GLU  32          2HB       GLU  32   5.317  -6.381  -4.471
  269   2HB   GLU  32          1HB       GLU  32   4.544  -6.612  -2.909
  270   1HG   GLU  32          2HG       GLU  32   6.070  -8.194  -2.580
  271   2HG   GLU  32          1HG       GLU  32   5.090  -9.179  -3.665
  272    H    ILE  33           H        ILE  33   2.091  -6.649  -2.619
  273    HA   ILE  33           HA       ILE  33   1.609  -9.086  -1.271
  274    HB   ILE  33           HB       ILE  33   0.113  -6.455  -1.138
  275   1HG1  ILE  33          2HG1      ILE  33   2.130  -7.472   0.846
  276   2HG1  ILE  33          1HG1      ILE  33   2.630  -6.572  -0.581
  277   1HG2  ILE  33          1HG2      ILE  33  -0.910  -8.717  -0.171
  278   2HG2  ILE  33          2HG2      ILE  33  -1.076  -7.178   0.668
  279   3HG2  ILE  33          3HG2      ILE  33   0.166  -8.325   1.167
  280   1HD1  ILE  33          1HD1      ILE  33   0.720  -5.579   1.520
  281   2HD1  ILE  33          2HD1      ILE  33   1.304  -4.674   0.123
  282   3HD1  ILE  33          3HD1      ILE  33   2.425  -5.152   1.398
  283    H    LYS  34           H        LYS  34  -0.047  -7.346  -3.826
  284    HA   LYS  34           HA       LYS  34  -2.481  -8.817  -3.703
  285   1HB   LYS  34          2HB       LYS  34  -1.225  -6.871  -5.552
  286   2HB   LYS  34          1HB       LYS  34  -2.427  -7.942  -6.257
  287   1HG   LYS  34          2HG       LYS  34  -3.358  -6.853  -3.754
  288   2HG   LYS  34          1HG       LYS  34  -2.882  -5.572  -4.867
  289   1HD   LYS  34          2HD       LYS  34  -4.395  -6.341  -6.532
  290   2HD   LYS  34          1HD       LYS  34  -4.696  -7.843  -5.654
  291   1HE   LYS  34          2HE       LYS  34  -5.706  -6.518  -3.823
  292   2HE   LYS  34          1HE       LYS  34  -5.487  -5.062  -4.794
  293   1HZ   LYS  34          1HZ       LYS  34  -7.745  -6.217  -4.856
  294   2HZ   LYS  34          2HZ       LYS  34  -6.998  -7.376  -5.835
  295   3HZ   LYS  34          3HZ       LYS  34  -7.059  -5.761  -6.334
  296    H    ARG  35           H        ARG  35   0.422  -9.043  -5.746
  297    HA   ARG  35           HA       ARG  35  -0.482 -11.333  -7.176
  298   1HB   ARG  35          2HB       ARG  35   1.470  -9.573  -7.641
  299   2HB   ARG  35          1HB       ARG  35   2.432 -10.818  -6.853
  300   1HG   ARG  35          2HG       ARG  35   1.090 -12.346  -8.591
  301   2HG   ARG  35          1HG       ARG  35   1.105 -10.826  -9.488
  302   1HD   ARG  35          2HD       ARG  35   3.629 -11.821  -8.244
  303   2HD   ARG  35          1HD       ARG  35   3.061 -12.550  -9.746
  304    HE   ARG  35           HE       ARG  35   4.295 -10.011  -9.450
  305   1HH1  ARG  35          1HH1      ARG  35   1.848 -11.688 -11.306
  306   2HH1  ARG  35          2HH1      ARG  35   2.011 -10.651 -12.682
  307   1HH2  ARG  35          1HH2      ARG  35   4.501  -8.653 -11.263
  308   2HH2  ARG  35          2HH2      ARG  35   3.514  -8.931 -12.658
  309    H    ARG  36           H        ARG  36   0.992 -10.852  -4.088
  310    HA   ARG  36           HA       ARG  36   1.965 -13.553  -3.830
  311   1HB   ARG  36          2HB       ARG  36   1.922 -11.109  -2.118
  312   2HB   ARG  36          1HB       ARG  36   2.165 -12.667  -1.345
  313   1HG   ARG  36          2HG       ARG  36   3.958 -12.872  -3.327
  314   2HG   ARG  36          1HG       ARG  36   3.952 -11.121  -3.105
  315   1HD   ARG  36          2HD       ARG  36   5.615 -11.869  -1.648
  316   2HD   ARG  36          1HD       ARG  36   4.212 -11.632  -0.607
  317    HE   ARG  36           HE       ARG  36   4.417 -14.308  -1.601
  318   1HH1  ARG  36          1HH1      ARG  36   5.556 -12.124   0.883
  319   2HH1  ARG  36          2HH1      ARG  36   5.925 -13.395   1.998
  320   1HH2  ARG  36          1HH2      ARG  36   4.906 -15.971  -0.131
  321   2HH2  ARG  36          2HH2      ARG  36   5.558 -15.575   1.425
  322    H    SER  37           H        SER  37  -1.106 -12.501  -3.927
  323    HA   SER  37           HA       SER  37  -3.093 -13.289  -3.158
  324   1HB   SER  37          2HB       SER  37  -1.841 -15.491  -3.670
  325   2HB   SER  37          1HB       SER  37  -1.633 -15.617  -1.924
  326    HG   SER  37           HG       SER  37  -3.754 -16.274  -3.363
  327    H    LEU  38           H        LEU  38  -1.549 -11.505  -1.546
  328    HA   LEU  38           HA       LEU  38  -2.520 -12.236   1.146
  329   1HB   LEU  38          2HB       LEU  38   0.042 -12.094   0.617
  330   2HB   LEU  38          1HB       LEU  38  -0.230 -10.368   0.723
  331    HG   LEU  38           HG       LEU  38  -1.238 -10.823   3.024
  332   1HD1  LEU  38          1HD1      LEU  38  -1.029 -12.850   4.028
  333   2HD1  LEU  38          2HD1      LEU  38   0.394 -13.295   3.087
  334   3HD1  LEU  38          3HD1      LEU  38  -1.209 -13.389   2.358
  335   1HD2  LEU  38          1HD2      LEU  38   1.681 -11.293   2.450
  336   2HD2  LEU  38          2HD2      LEU  38   1.024 -10.985   4.058
  337   3HD2  LEU  38          3HD2      LEU  38   0.893  -9.755   2.800
  338    H    GLY  39           H        GLY  39  -3.809 -10.715  -1.095
  339   1HA   GLY  39          2HA       GLY  39  -3.806  -7.943  -0.402
  340   2HA   GLY  39          1HA       GLY  39  -4.970  -8.758  -1.442
  341    H    HIS  40           H        HIS  40  -5.139 -10.587   1.220
  342    HA   HIS  40           HA       HIS  40  -7.472  -9.179   2.176
  343   1HB   HIS  40          2HB       HIS  40  -7.975 -11.152   3.432
  344   2HB   HIS  40          1HB       HIS  40  -7.388 -11.690   1.865
  345    HD1  HIS  40           1HD      HIS  40  -7.291 -13.014   4.932
  346    HD2  HIS  40           2HD      HIS  40  -4.176 -11.747   2.492
  347    HE1  HIS  40           1HE      HIS  40  -5.259 -14.258   5.734
  348    HE2  HIS  40           2HE      HIS  40  -3.400 -13.525   4.201
  349    H    ILE  41           H        ILE  41  -4.190  -9.817   3.157
  350    HA   ILE  41           HA       ILE  41  -4.359  -9.108   5.866
  351    HB   ILE  41           HB       ILE  41  -2.416 -10.194   4.528
  352   1HG1  ILE  41          2HG1      ILE  41  -0.781  -9.460   6.224
  353   2HG1  ILE  41          1HG1      ILE  41  -1.873  -8.159   6.689
  354   1HG2  ILE  41          1HG2      ILE  41  -1.151  -7.516   4.449
  355   2HG2  ILE  41          2HG2      ILE  41  -2.250  -7.948   3.140
  356   3HG2  ILE  41          3HG2      ILE  41  -0.841  -8.947   3.468
  357   1HD1  ILE  41          1HD1      ILE  41  -1.772 -10.704   7.752
  358   2HD1  ILE  41          2HD1      ILE  41  -3.190 -10.731   6.705
  359   3HD1  ILE  41          3HD1      ILE  41  -3.058  -9.519   7.980
  360    H    ILE  42           H        ILE  42  -4.087  -7.245   2.938
  361    HA   ILE  42           HA       ILE  42  -3.629  -4.730   4.264
  362    HB   ILE  42           HB       ILE  42  -4.043  -3.770   1.952
  363   1HG1  ILE  42          2HG1      ILE  42  -4.011  -6.685   1.153
  364   2HG1  ILE  42          1HG1      ILE  42  -5.400  -5.609   1.056
  365   1HG2  ILE  42          1HG2      ILE  42  -1.884  -5.847   2.077
  366   2HG2  ILE  42          2HG2      ILE  42  -1.814  -4.291   2.904
  367   3HG2  ILE  42          3HG2      ILE  42  -1.888  -4.352   1.143
  368   1HD1  ILE  42          1HD1      ILE  42  -4.621  -5.600  -1.100
  369   2HD1  ILE  42          2HD1      ILE  42  -2.931  -5.682  -0.604
  370   3HD1  ILE  42          3HD1      ILE  42  -3.828  -4.174  -0.432
  371    H    SER  43           H        SER  43  -5.119  -2.859   3.800
  372    HA   SER  43           HA       SER  43  -7.805  -3.622   4.550
  373   1HB   SER  43          2HB       SER  43  -6.938  -1.733   5.723
  374   2HB   SER  43          1HB       SER  43  -6.427  -0.951   4.227
  375    HG   SER  43           HG       SER  43  -8.702  -0.632   5.484
  376    H    VAL  44           H        VAL  44  -7.669  -4.728   2.254
  377    HA   VAL  44           HA       VAL  44  -8.931  -2.901   0.321
  378    HB   VAL  44           HB       VAL  44  -7.262  -5.334  -0.330
  379   1HG1  VAL  44          1HG1      VAL  44  -8.819  -4.953  -2.072
  380   2HG1  VAL  44          2HG1      VAL  44  -7.276  -4.294  -2.616
  381   3HG1  VAL  44          3HG1      VAL  44  -8.541  -3.212  -2.032
  382   1HG2  VAL  44          1HG2      VAL  44  -5.795  -3.709   0.584
  383   2HG2  VAL  44          2HG2      VAL  44  -6.561  -2.411  -0.329
  384   3HG2  VAL  44          3HG2      VAL  44  -5.619  -3.643  -1.169
  385    H    SER  45           H        SER  45 -10.456  -3.949  -1.163
  386    HA   SER  45           HA       SER  45 -11.876  -6.151   0.178
  387   1HB   SER  45          2HB       SER  45 -13.258  -4.181   0.019
  388   2HB   SER  45          1HB       SER  45 -12.882  -3.996  -1.695
  389    HG   SER  45           HG       SER  45 -14.315  -6.143  -0.511
  390    H    SER  46           H        SER  46 -10.705  -7.835  -0.744
  391    HA   SER  46           HA       SER  46 -10.544  -8.051  -3.634
  392   1HB   SER  46          2HB       SER  46  -9.794 -10.332  -1.873
  393   2HB   SER  46          1HB       SER  46  -8.979  -9.699  -3.302
  394    HG   SER  46           HG       SER  46  -8.454  -7.837  -1.921
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  10.976  -2.499  -3.760
    2   2H    MET   1          2HT       MET   1  11.643  -3.259  -5.148
    3   3H    MET   1          3HT       MET   1  12.587  -3.083  -3.725
    4    HA   MET   1           HA       MET   1  11.008  -4.488  -2.551
    5   1HB   MET   1          2HB       MET   1   9.283  -3.905  -4.460
    6   2HB   MET   1          1HB       MET   1   9.973  -5.323  -5.234
    7   1HG   MET   1          2HG       MET   1   8.461  -6.487  -4.099
    8   2HG   MET   1          1HG       MET   1   9.487  -6.217  -2.692
    9   1HE   MET   1          1HE       MET   1   7.873  -2.791  -1.470
   10   2HE   MET   1          2HE       MET   1   9.377  -3.379  -2.179
   11   3HE   MET   1          3HE       MET   1   8.740  -4.128  -0.714
   12    H    ARG   2           H        ARG   2  13.377  -4.993  -2.512
   13    HA   ARG   2           HA       ARG   2  14.348  -6.881  -4.470
   14   1HB   ARG   2          2HB       ARG   2  15.508  -5.702  -1.954
   15   2HB   ARG   2          1HB       ARG   2  16.320  -6.992  -2.829
   16   1HG   ARG   2          2HG       ARG   2  15.967  -5.350  -4.868
   17   2HG   ARG   2          1HG       ARG   2  15.918  -4.150  -3.577
   18   1HD   ARG   2          2HD       ARG   2  18.118  -4.329  -3.171
   19   2HD   ARG   2          1HD       ARG   2  18.096  -6.086  -3.311
   20    HE   ARG   2           HE       ARG   2  17.846  -4.743  -5.833
   21   1HH1  ARG   2          1HH1      ARG   2  20.126  -5.910  -3.451
   22   2HH1  ARG   2          2HH1      ARG   2  21.422  -6.052  -4.587
   23   1HH2  ARG   2          1HH2      ARG   2  19.555  -4.932  -7.320
   24   2HH2  ARG   2          2HH2      ARG   2  21.101  -5.498  -6.780
   25    H    LYS   3           H        LYS   3  13.611  -6.973  -0.988
   26    HA   LYS   3           HA       LYS   3  12.424  -9.516  -1.076
   27   1HB   LYS   3          2HB       LYS   3  14.961  -9.984  -1.461
   28   2HB   LYS   3          1HB       LYS   3  15.103  -9.675   0.264
   29   1HG   LYS   3          2HG       LYS   3  14.838 -11.944   0.248
   30   2HG   LYS   3          1HG       LYS   3  13.164 -11.420   0.434
   31   1HD   LYS   3          2HD       LYS   3  12.764 -12.771  -1.315
   32   2HD   LYS   3          1HD       LYS   3  13.432 -11.453  -2.280
   33   1HE   LYS   3          2HE       LYS   3  14.846 -13.020  -3.044
   34   2HE   LYS   3          1HE       LYS   3  15.693 -12.756  -1.519
   35   1HZ   LYS   3          1HZ       LYS   3  15.056 -15.141  -2.217
   36   2HZ   LYS   3          2HZ       LYS   3  13.510 -14.728  -1.668
   37   3HZ   LYS   3          3HZ       LYS   3  14.827 -14.670  -0.607
   38    H    LEU   4           H        LEU   4  11.281  -9.853   0.751
   39    HA   LEU   4           HA       LEU   4  12.032  -9.078   3.337
   40   1HB   LEU   4          2HB       LEU   4  10.074  -7.291   3.446
   41   2HB   LEU   4          1HB       LEU   4  11.727  -6.846   3.082
   42    HG   LEU   4           HG       LEU   4  11.240  -6.669   0.731
   43   1HD1  LEU   4          1HD1      LEU   4   8.695  -6.924   0.140
   44   2HD1  LEU   4          2HD1      LEU   4   8.713  -8.038   1.506
   45   3HD1  LEU   4          3HD1      LEU   4   9.774  -8.319   0.126
   46   1HD2  LEU   4          1HD2      LEU   4  10.351  -4.945   2.588
   47   2HD2  LEU   4          2HD2      LEU   4   8.830  -5.330   1.784
   48   3HD2  LEU   4          3HD2      LEU   4  10.178  -4.680   0.853
   49    H    SER   5           H        SER   5  10.536  -9.714   4.906
   50    HA   SER   5           HA       SER   5   8.716 -11.746   4.097
   51   1HB   SER   5          2HB       SER   5   9.904 -11.898   6.226
   52   2HB   SER   5          1HB       SER   5   9.112 -10.427   6.792
   53    HG   SER   5           HG       SER   5   7.840 -12.878   6.131
   54    H    ASP   6           H        ASP   6   6.412 -11.800   4.801
   55    HA   ASP   6           HA       ASP   6   4.973  -9.686   3.649
   56   1HB   ASP   6          2HB       ASP   6   3.620 -11.374   5.723
   57   2HB   ASP   6          1HB       ASP   6   3.025 -10.810   4.173
   58    H    GLU   7           H        GLU   7   6.239 -10.103   6.838
   59    HA   GLU   7           HA       GLU   7   4.538  -8.194   8.116
   60   1HB   GLU   7          2HB       GLU   7   6.791  -9.892   8.854
   61   2HB   GLU   7          1HB       GLU   7   6.887  -8.306   9.606
   62   1HG   GLU   7          2HG       GLU   7   5.744  -9.921  11.028
   63   2HG   GLU   7          1HG       GLU   7   4.681  -8.594  10.563
   64    H    LEU   8           H        LEU   8   7.651  -8.123   6.520
   65    HA   LEU   8           HA       LEU   8   8.141  -5.352   7.149
   66   1HB   LEU   8          2HB       LEU   8   9.539  -7.457   5.573
   67   2HB   LEU   8          1HB       LEU   8   9.939  -5.773   5.277
   68    HG   LEU   8           HG       LEU   8  11.465  -6.833   6.880
   69   1HD1  LEU   8          1HD1      LEU   8  11.538  -5.054   8.414
   70   2HD1  LEU   8          2HD1      LEU   8   9.798  -4.791   8.310
   71   3HD1  LEU   8          3HD1      LEU   8  10.834  -4.384   6.943
   72   1HD2  LEU   8          1HD2      LEU   8   9.818  -8.398   7.854
   73   2HD2  LEU   8          2HD2      LEU   8   9.063  -7.037   8.682
   74   3HD2  LEU   8          3HD2      LEU   8  10.721  -7.496   9.072
   75    H    LEU   9           H        LEU   9   6.852  -7.234   4.501
   76    HA   LEU   9           HA       LEU   9   6.797  -5.092   2.610
   77   1HB   LEU   9          2HB       LEU   9   6.864  -7.375   1.830
   78   2HB   LEU   9          1HB       LEU   9   5.391  -7.757   2.697
   79    HG   LEU   9           HG       LEU   9   4.268  -6.008   1.174
   80   1HD1  LEU   9          1HD1      LEU   9   6.530  -5.171   0.369
   81   2HD1  LEU   9          2HD1      LEU   9   5.301  -5.462  -0.862
   82   3HD1  LEU   9          3HD1      LEU   9   6.596  -6.633  -0.616
   83   1HD2  LEU   9          1HD2      LEU   9   4.076  -7.708  -0.669
   84   2HD2  LEU   9          2HD2      LEU   9   3.730  -8.313   0.950
   85   3HD2  LEU   9          3HD2      LEU   9   5.281  -8.669   0.189
   86    H    ILE  10           H        ILE  10   4.381  -6.643   4.679
   87    HA   ILE  10           HA       ILE  10   2.265  -4.958   3.857
   88    HB   ILE  10           HB       ILE  10   2.547  -6.639   6.342
   89   1HG1  ILE  10          2HG1      ILE  10   0.838  -7.209   3.941
   90   2HG1  ILE  10          1HG1      ILE  10   2.545  -7.641   3.950
   91   1HG2  ILE  10          1HG2      ILE  10   0.888  -4.853   6.666
   92   2HG2  ILE  10          2HG2      ILE  10   0.131  -6.443   6.585
   93   3HG2  ILE  10          3HG2      ILE  10   0.063  -5.364   5.193
   94   1HD1  ILE  10          1HD1      ILE  10   2.208  -9.384   5.282
   95   2HD1  ILE  10          2HD1      ILE  10   0.521  -9.213   4.815
   96   3HD1  ILE  10          3HD1      ILE  10   1.091  -8.501   6.320
   97    H    GLU  11           H        GLU  11   4.671  -4.779   6.390
   98    HA   GLU  11           HA       GLU  11   3.549  -2.654   7.861
   99   1HB   GLU  11          2HB       GLU  11   6.244  -3.865   7.586
  100   2HB   GLU  11          1HB       GLU  11   6.171  -2.249   8.261
  101   1HG   GLU  11          2HG       GLU  11   4.654  -3.032   9.998
  102   2HG   GLU  11          1HG       GLU  11   4.698  -4.654   9.312
  103    H    SER  12           H        SER  12   5.303  -2.787   4.854
  104    HA   SER  12           HA       SER  12   5.971  -0.004   4.769
  105   1HB   SER  12          2HB       SER  12   6.929  -2.072   3.399
  106   2HB   SER  12          1HB       SER  12   5.663  -1.609   2.263
  107    HG   SER  12           HG       SER  12   7.904  -0.600   2.148
  108    H    TYR  13           H        TYR  13   3.420  -2.030   3.381
  109    HA   TYR  13           HA       TYR  13   2.078   0.041   1.999
  110   1HB   TYR  13          2HB       TYR  13   1.719  -2.393   1.593
  111   2HB   TYR  13          1HB       TYR  13   0.901  -2.502   3.145
  112    HD1  TYR  13           1HD      TYR  13   0.730  -0.677  -0.105
  113    HD2  TYR  13           2HD      TYR  13  -1.398  -2.201   3.249
  114    HE1  TYR  13           1HE      TYR  13  -1.396  -0.069  -1.184
  115    HE2  TYR  13           2HE      TYR  13  -3.529  -1.598   2.179
  116    HH   TYR  13           HH       TYR  13  -4.034   0.429   0.099
  117    H    PHE  14           H        PHE  14   1.865  -1.249   5.254
  118    HA   PHE  14           HA       PHE  14  -0.410   0.294   6.020
  119   1HB   PHE  14          2HB       PHE  14   1.645  -1.257   7.572
  120   2HB   PHE  14          1HB       PHE  14   0.328  -0.411   8.356
  121    HD1  PHE  14           1HD      PHE  14  -1.020  -1.530   5.355
  122    HD2  PHE  14           2HD      PHE  14   0.318  -3.007   9.120
  123    HE1  PHE  14           1HE      PHE  14  -2.432  -3.519   5.073
  124    HE2  PHE  14           2HE      PHE  14  -1.097  -5.000   8.840
  125    HZ   PHE  14           HZ       PHE  14  -2.473  -5.265   6.811
  126    H    LYS  15           H        LYS  15   3.077   0.582   6.526
  127    HA   LYS  15           HA       LYS  15   2.990   2.942   8.070
  128   1HB   LYS  15          2HB       LYS  15   5.123   1.591   6.445
  129   2HB   LYS  15          1HB       LYS  15   5.419   3.154   7.185
  130   1HG   LYS  15          2HG       LYS  15   4.560   0.691   8.686
  131   2HG   LYS  15          1HG       LYS  15   6.225   1.252   8.537
  132   1HD   LYS  15          2HD       LYS  15   5.950   2.787  10.137
  133   2HD   LYS  15          1HD       LYS  15   4.436   3.360   9.434
  134   1HE   LYS  15          2HE       LYS  15   3.157   1.983  10.727
  135   2HE   LYS  15          1HE       LYS  15   4.404   0.741  10.830
  136   1HZ   LYS  15          1HZ       LYS  15   4.145   3.228  12.402
  137   2HZ   LYS  15          2HZ       LYS  15   5.636   2.443  12.261
  138   3HZ   LYS  15          3HZ       LYS  15   4.321   1.637  12.954
  139    H    ALA  16           H        ALA  16   3.431   2.364   4.606
  140    HA   ALA  16           HA       ALA  16   3.826   5.050   3.873
  141   1HB   ALA  16          1HB       ALA  16   2.974   2.613   2.354
  142   2HB   ALA  16          2HB       ALA  16   4.511   3.476   2.295
  143   3HB   ALA  16          3HB       ALA  16   3.067   4.194   1.578
  144    H    THR  17           H        THR  17   0.900   3.128   4.265
  145    HA   THR  17           HA       THR  17  -0.850   5.005   3.057
  146    HB   THR  17           HB       THR  17  -2.617   3.777   4.420
  147    HG1  THR  17           1HG      THR  17  -1.206   3.077   6.087
  148   1HG2  THR  17          1HG2      THR  17  -1.870   1.466   3.283
  149   2HG2  THR  17          2HG2      THR  17  -0.879   2.601   2.365
  150   3HG2  THR  17          3HG2      THR  17  -2.632   2.794   2.406
  151    H    GLU  18           H        GLU  18   0.475   4.640   6.272
  152    HA   GLU  18           HA       GLU  18  -1.278   6.534   7.502
  153   1HB   GLU  18          2HB       GLU  18   0.957   4.833   8.314
  154   2HB   GLU  18          1HB       GLU  18   0.919   6.379   9.150
  155   1HG   GLU  18          2HG       GLU  18  -0.761   5.733  10.439
  156   2HG   GLU  18          1HG       GLU  18  -1.708   5.203   9.051
  157    H    MET  19           H        MET  19   2.084   6.645   6.394
  158    HA   MET  19           HA       MET  19   2.340   9.436   7.040
  159   1HB   MET  19          2HB       MET  19   4.576   9.235   6.204
  160   2HB   MET  19          1HB       MET  19   4.225   7.831   7.191
  161   1HG   MET  19          2HG       MET  19   3.930   6.472   5.243
  162   2HG   MET  19          1HG       MET  19   4.087   7.873   4.189
  163   1HE   MET  19          1HE       MET  19   5.765   4.958   4.290
  164   2HE   MET  19          2HE       MET  19   5.816   5.049   6.050
  165   3HE   MET  19          3HE       MET  19   7.316   5.075   5.121
  166    H    ASN  20           H        ASN  20   1.113   7.705   4.383
  167    HA   ASN  20           HA       ASN  20   0.213   8.410   2.415
  168   1HB   ASN  20          2HB       ASN  20   1.246  11.189   2.941
  169   2HB   ASN  20          1HB       ASN  20  -0.105  10.708   1.922
  170   1HD2  ASN  20          1HD2      ASN  20   0.594  12.196   4.686
  171   2HD2  ASN  20          2HD2      ASN  20  -0.812  11.822   5.617
  172    H    LEU  21           H        LEU  21   2.759   7.292   2.649
  173    HA   LEU  21           HA       LEU  21   4.832   8.552   1.292
  174   1HB   LEU  21          2HB       LEU  21   4.662   6.249   2.537
  175   2HB   LEU  21          1HB       LEU  21   4.309   5.624   0.940
  176    HG   LEU  21           HG       LEU  21   6.770   7.267   1.418
  177   1HD1  LEU  21          1HD1      LEU  21   7.722   4.745   1.515
  178   2HD1  LEU  21          2HD1      LEU  21   6.205   4.554   2.395
  179   3HD1  LEU  21          3HD1      LEU  21   7.396   5.737   2.935
  180   1HD2  LEU  21          1HD2      LEU  21   5.613   5.844  -0.788
  181   2HD2  LEU  21          2HD2      LEU  21   7.172   5.129  -0.380
  182   3HD2  LEU  21          3HD2      LEU  21   7.061   6.848  -0.748
  183    H    ASN  22           H        ASN  22   5.615   8.210  -0.906
  184    HA   ASN  22           HA       ASN  22   3.996   8.997  -2.921
  185   1HB   ASN  22          2HB       ASN  22   6.458   8.791  -3.078
  186   2HB   ASN  22          1HB       ASN  22   6.282   7.048  -3.257
  187   1HD2  ASN  22          1HD2      ASN  22   7.518   7.578  -5.241
  188   2HD2  ASN  22          2HD2      ASN  22   6.622   7.987  -6.660
  189    H    ARG  23           H        ARG  23   2.497   8.192  -4.260
  190    HA   ARG  23           HA       ARG  23   1.081   5.887  -3.679
  191   1HB   ARG  23          2HB       ARG  23   0.490   7.943  -5.172
  192   2HB   ARG  23          1HB       ARG  23   1.144   6.959  -6.473
  193   1HG   ARG  23          2HG       ARG  23  -0.593   5.508  -6.441
  194   2HG   ARG  23          1HG       ARG  23  -0.846   5.678  -4.702
  195   1HD   ARG  23          2HD       ARG  23  -2.638   6.891  -5.283
  196   2HD   ARG  23          1HD       ARG  23  -1.474   8.175  -5.606
  197    HE   ARG  23           HE       ARG  23  -1.970   7.983  -7.820
  198   1HH1  ARG  23          1HH1      ARG  23  -2.908   5.001  -6.249
  199   2HH1  ARG  23          2HH1      ARG  23  -3.626   4.335  -7.678
  200   1HH2  ARG  23          1HH2      ARG  23  -2.913   7.100  -9.690
  201   2HH2  ARG  23          2HH2      ARG  23  -3.628   5.524  -9.627
  202    H    ASP  24           H        ASP  24   3.895   6.271  -5.703
  203    HA   ASP  24           HA       ASP  24   3.628   3.855  -7.139
  204   1HB   ASP  24          2HB       ASP  24   5.844   5.777  -6.610
  205   2HB   ASP  24          1HB       ASP  24   6.278   4.176  -7.201
  206    H    PHE  25           H        PHE  25   5.041   4.637  -4.022
  207    HA   PHE  25           HA       PHE  25   6.218   2.053  -3.640
  208   1HB   PHE  25          2HB       PHE  25   6.789   4.342  -2.481
  209   2HB   PHE  25          1HB       PHE  25   5.508   3.879  -1.367
  210    HD1  PHE  25           1HD      PHE  25   6.524   3.284   0.617
  211    HD2  PHE  25           2HD      PHE  25   8.130   1.843  -3.051
  212    HE1  PHE  25           1HE      PHE  25   8.122   1.893   1.867
  213    HE2  PHE  25           2HE      PHE  25   9.729   0.447  -1.807
  214    HZ   PHE  25           HZ       PHE  25   9.727   0.471   0.656
  215    H    ILE  26           H        ILE  26   3.276   3.705  -2.638
  216    HA   ILE  26           HA       ILE  26   2.216   1.672  -1.011
  217    HB   ILE  26           HB       ILE  26   0.817   3.814  -2.625
  218   1HG1  ILE  26          2HG1      ILE  26   1.630   3.664   0.287
  219   2HG1  ILE  26          1HG1      ILE  26   2.338   4.704  -0.945
  220   1HG2  ILE  26          1HG2      ILE  26  -0.765   2.038  -2.132
  221   2HG2  ILE  26          2HG2      ILE  26  -1.115   3.444  -1.127
  222   3HG2  ILE  26          3HG2      ILE  26  -0.288   2.049  -0.434
  223   1HD1  ILE  26          1HD1      ILE  26   0.928   6.095   0.283
  224   2HD1  ILE  26          2HD1      ILE  26  -0.361   4.892   0.338
  225   3HD1  ILE  26          3HD1      ILE  26   0.011   5.718  -1.175
  226    H    GLU  27           H        GLU  27   1.760   2.413  -4.463
  227    HA   GLU  27           HA       GLU  27   0.037   0.201  -4.930
  228   1HB   GLU  27          2HB       GLU  27   0.699   2.436  -6.350
  229   2HB   GLU  27          1HB       GLU  27   1.599   1.205  -7.220
  230   1HG   GLU  27          2HG       GLU  27  -0.816  -0.001  -6.951
  231   2HG   GLU  27          1HG       GLU  27  -1.283   1.695  -7.085
  232    H    LEU  28           H        LEU  28   3.486   0.687  -5.001
  233    HA   LEU  28           HA       LEU  28   4.161  -1.695  -6.378
  234   1HB   LEU  28          2HB       LEU  28   5.841  -0.080  -6.359
  235   2HB   LEU  28          1HB       LEU  28   5.620   0.277  -4.660
  236    HG   LEU  28           HG       LEU  28   6.723  -2.389  -5.451
  237   1HD1  LEU  28          1HD1      LEU  28   7.995  -0.688  -6.724
  238   2HD1  LEU  28          2HD1      LEU  28   8.964  -1.508  -5.499
  239   3HD1  LEU  28          3HD1      LEU  28   8.367   0.125  -5.204
  240   1HD2  LEU  28          1HD2      LEU  28   6.387  -2.306  -3.171
  241   2HD2  LEU  28          2HD2      LEU  28   6.758  -0.584  -3.074
  242   3HD2  LEU  28          3HD2      LEU  28   8.057  -1.754  -3.299
  243    H    ILE  29           H        ILE  29   3.965  -0.861  -2.931
  244    HA   ILE  29           HA       ILE  29   4.672  -3.460  -2.020
  245    HB   ILE  29           HB       ILE  29   3.107  -1.340  -0.538
  246   1HG1  ILE  29          2HG1      ILE  29   6.026  -1.788  -0.120
  247   2HG1  ILE  29          1HG1      ILE  29   5.526  -0.874  -1.538
  248   1HG2  ILE  29          1HG2      ILE  29   3.709  -2.459   1.454
  249   2HG2  ILE  29          2HG2      ILE  29   4.840  -3.513   0.608
  250   3HG2  ILE  29          3HG2      ILE  29   3.104  -3.701   0.360
  251   1HD1  ILE  29          1HD1      ILE  29   6.096   0.462   0.515
  252   2HD1  ILE  29          2HD1      ILE  29   4.622  -0.184   1.238
  253   3HD1  ILE  29          3HD1      ILE  29   4.529   0.805  -0.218
  254    H    GLU  30           H        GLU  30   1.686  -1.882  -2.920
  255    HA   GLU  30           HA       GLU  30  -0.022  -3.941  -1.874
  256   1HB   GLU  30          2HB       GLU  30  -0.564  -1.434  -2.403
  257   2HB   GLU  30          1HB       GLU  30  -0.861  -2.031  -4.030
  258   1HG   GLU  30          2HG       GLU  30  -2.383  -3.760  -2.827
  259   2HG   GLU  30          1HG       GLU  30  -2.343  -2.593  -1.505
  260    H    ASN  31           H        ASN  31   1.556  -3.218  -4.908
  261    HA   ASN  31           HA       ASN  31   0.114  -5.073  -6.501
  262   1HB   ASN  31          2HB       ASN  31   2.647  -3.512  -6.802
  263   2HB   ASN  31          1HB       ASN  31   2.334  -4.834  -7.922
  264   1HD2  ASN  31          1HD2      ASN  31   2.115  -3.470  -9.676
  265   2HD2  ASN  31          2HD2      ASN  31   0.746  -2.438  -9.887
  266    H    GLU  32           H        GLU  32   2.855  -5.339  -4.365
  267    HA   GLU  32           HA       GLU  32   3.634  -7.943  -5.342
  268   1HB   GLU  32          2HB       GLU  32   5.305  -6.414  -4.365
  269   2HB   GLU  32          1HB       GLU  32   4.453  -6.467  -2.829
  270   1HG   GLU  32          2HG       GLU  32   6.211  -7.947  -2.536
  271   2HG   GLU  32          1HG       GLU  32   4.846  -8.995  -2.916
  272    H    ILE  33           H        ILE  33   1.984  -6.593  -2.537
  273    HA   ILE  33           HA       ILE  33   1.471  -9.041  -1.222
  274    HB   ILE  33           HB       ILE  33  -0.041  -6.421  -1.097
  275   1HG1  ILE  33          2HG1      ILE  33   1.940  -7.426   0.926
  276   2HG1  ILE  33          1HG1      ILE  33   2.473  -6.532  -0.494
  277   1HG2  ILE  33          1HG2      ILE  33  -0.018  -8.248   1.226
  278   2HG2  ILE  33          2HG2      ILE  33  -1.005  -8.746  -0.144
  279   3HG2  ILE  33          3HG2      ILE  33  -1.294  -7.190   0.628
  280   1HD1  ILE  33          1HD1      ILE  33   2.214  -5.107   1.480
  281   2HD1  ILE  33          2HD1      ILE  33   0.504  -5.528   1.547
  282   3HD1  ILE  33          3HD1      ILE  33   1.137  -4.630   0.168
  283    H    LYS  34           H        LYS  34  -0.139  -7.275  -3.791
  284    HA   LYS  34           HA       LYS  34  -2.574  -8.747  -3.728
  285   1HB   LYS  34          2HB       LYS  34  -1.294  -6.764  -5.502
  286   2HB   LYS  34          1HB       LYS  34  -2.399  -7.868  -6.306
  287   1HG   LYS  34          2HG       LYS  34  -4.157  -7.240  -4.700
  288   2HG   LYS  34          1HG       LYS  34  -3.043  -6.080  -3.970
  289   1HD   LYS  34          2HD       LYS  34  -2.827  -5.151  -6.382
  290   2HD   LYS  34          1HD       LYS  34  -4.330  -6.028  -6.674
  291   1HE   LYS  34          2HE       LYS  34  -5.436  -4.798  -4.915
  292   2HE   LYS  34          1HE       LYS  34  -3.926  -3.998  -4.482
  293   1HZ   LYS  34          1HZ       LYS  34  -5.343  -3.712  -7.077
  294   2HZ   LYS  34          2HZ       LYS  34  -3.905  -2.931  -6.645
  295   3HZ   LYS  34          3HZ       LYS  34  -5.341  -2.572  -5.826
  296    H    ARG  35           H        ARG  35   0.385  -8.976  -5.678
  297    HA   ARG  35           HA       ARG  35  -0.475 -11.264  -7.144
  298   1HB   ARG  35          2HB       ARG  35   1.483  -9.476  -7.536
  299   2HB   ARG  35          1HB       ARG  35   2.427 -10.747  -6.771
  300   1HG   ARG  35          2HG       ARG  35   2.558 -11.800  -8.710
  301   2HG   ARG  35          1HG       ARG  35   0.805 -11.997  -8.709
  302   1HD   ARG  35          2HD       ARG  35   1.568 -10.915 -10.758
  303   2HD   ARG  35          1HD       ARG  35   0.557  -9.829  -9.805
  304    HE   ARG  35           HE       ARG  35   3.367  -9.524  -9.299
  305   1HH1  ARG  35          1HH1      ARG  35   0.720  -8.545 -11.365
  306   2HH1  ARG  35          2HH1      ARG  35   1.479  -7.062 -11.836
  307   1HH2  ARG  35          1HH2      ARG  35   4.356  -7.574  -9.921
  308   2HH2  ARG  35          2HH2      ARG  35   3.540  -6.511 -11.018
  309    H    ARG  36           H        ARG  36   0.976 -10.777  -4.039
  310    HA   ARG  36           HA       ARG  36   1.958 -13.469  -3.774
  311   1HB   ARG  36          2HB       ARG  36   1.862 -11.039  -2.048
  312   2HB   ARG  36          1HB       ARG  36   2.097 -12.599  -1.277
  313   1HG   ARG  36          2HG       ARG  36   3.916 -12.722  -3.293
  314   2HG   ARG  36          1HG       ARG  36   3.931 -11.000  -2.907
  315   1HD   ARG  36          2HD       ARG  36   5.575 -11.968  -1.528
  316   2HD   ARG  36          1HD       ARG  36   4.183 -11.693  -0.481
  317    HE   ARG  36           HE       ARG  36   3.810 -14.232  -1.289
  318   1HH1  ARG  36          1HH1      ARG  36   6.587 -12.598   0.075
  319   2HH1  ARG  36          2HH1      ARG  36   7.202 -14.024   0.837
  320   1HH2  ARG  36          1HH2      ARG  36   4.625 -16.100  -0.284
  321   2HH2  ARG  36          2HH2      ARG  36   6.092 -16.010   0.635
  322    H    SER  37           H        SER  37  -1.129 -12.418  -3.889
  323    HA   SER  37           HA       SER  37  -3.120 -13.235  -3.161
  324   1HB   SER  37          2HB       SER  37  -1.788 -15.423  -3.679
  325   2HB   SER  37          1HB       SER  37  -1.721 -15.590  -1.925
  326    HG   SER  37           HG       SER  37  -3.545 -16.643  -2.811
  327    H    LEU  38           H        LEU  38  -1.607 -11.478  -1.504
  328    HA   LEU  38           HA       LEU  38  -2.576 -12.272   1.171
  329   1HB   LEU  38          2HB       LEU  38  -0.013 -12.078   0.633
  330   2HB   LEU  38          1HB       LEU  38  -0.317 -10.359   0.792
  331    HG   LEU  38           HG       LEU  38  -1.293 -10.872   3.075
  332   1HD1  LEU  38          1HD1      LEU  38   0.067 -13.509   2.550
  333   2HD1  LEU  38          2HD1      LEU  38  -1.663 -13.249   2.780
  334   3HD1  LEU  38          3HD1      LEU  38  -0.543 -12.966   4.113
  335   1HD2  LEU  38          1HD2      LEU  38   0.939 -11.044   4.111
  336   2HD2  LEU  38          2HD2      LEU  38   0.878  -9.850   2.815
  337   3HD2  LEU  38          3HD2      LEU  38   1.618 -11.424   2.528
  338    H    GLY  39           H        GLY  39  -3.895 -10.744  -1.034
  339   1HA   GLY  39          2HA       GLY  39  -3.914  -7.978  -0.332
  340   2HA   GLY  39          1HA       GLY  39  -5.081  -8.801  -1.357
  341    H    HIS  40           H        HIS  40  -5.203 -10.629   1.314
  342    HA   HIS  40           HA       HIS  40  -7.541  -9.233   2.290
  343   1HB   HIS  40          2HB       HIS  40  -7.761 -11.242   3.792
  344   2HB   HIS  40          1HB       HIS  40  -7.753 -11.623   2.073
  345    HD1  HIS  40           1HD      HIS  40  -6.082 -13.311   1.315
  346    HD2  HIS  40           2HD      HIS  40  -5.198 -11.803   5.084
  347    HE1  HIS  40           1HE      HIS  40  -4.148 -14.684   2.151
  348    HE2  HIS  40           2HE      HIS  40  -3.570 -13.691   4.393
  349    H    ILE  41           H        ILE  41  -4.255  -9.909   3.245
  350    HA   ILE  41           HA       ILE  41  -4.375  -9.211   5.954
  351    HB   ILE  41           HB       ILE  41  -2.454 -10.268   4.559
  352   1HG1  ILE  41          2HG1      ILE  41  -0.792  -9.579   6.232
  353   2HG1  ILE  41          1HG1      ILE  41  -1.849  -8.261   6.731
  354   1HG2  ILE  41          1HG2      ILE  41  -0.909  -8.993   3.486
  355   2HG2  ILE  41          2HG2      ILE  41  -1.206  -7.581   4.498
  356   3HG2  ILE  41          3HG2      ILE  41  -2.335  -7.996   3.210
  357   1HD1  ILE  41          1HD1      ILE  41  -3.196 -10.824   6.757
  358   2HD1  ILE  41          2HD1      ILE  41  -3.048  -9.609   8.027
  359   3HD1  ILE  41          3HD1      ILE  41  -1.768 -10.799   7.791
  360    H    ILE  42           H        ILE  42  -4.206  -7.327   3.038
  361    HA   ILE  42           HA       ILE  42  -3.762  -4.813   4.388
  362    HB   ILE  42           HB       ILE  42  -4.140  -3.845   2.080
  363   1HG1  ILE  42          2HG1      ILE  42  -4.081  -6.751   1.252
  364   2HG1  ILE  42          1HG1      ILE  42  -5.483  -5.689   1.163
  365   1HG2  ILE  42          1HG2      ILE  42  -1.976  -4.480   1.263
  366   2HG2  ILE  42          2HG2      ILE  42  -1.978  -5.915   2.287
  367   3HG2  ILE  42          3HG2      ILE  42  -1.924  -4.310   3.018
  368   1HD1  ILE  42          1HD1      ILE  42  -4.792  -5.441  -0.955
  369   2HD1  ILE  42          2HD1      ILE  42  -3.126  -5.879  -0.578
  370   3HD1  ILE  42          3HD1      ILE  42  -3.707  -4.248  -0.241
  371    H    SER  43           H        SER  43  -5.256  -2.999   4.155
  372    HA   SER  43           HA       SER  43  -7.959  -3.830   4.700
  373   1HB   SER  43          2HB       SER  43  -6.796  -1.958   5.927
  374   2HB   SER  43          1HB       SER  43  -6.909  -1.002   4.449
  375    HG   SER  43           HG       SER  43  -9.234  -1.404   4.591
  376    H    VAL  44           H        VAL  44  -7.828  -4.765   2.367
  377    HA   VAL  44           HA       VAL  44  -8.964  -2.774   0.518
  378    HB   VAL  44           HB       VAL  44  -7.398  -5.236  -0.259
  379   1HG1  VAL  44          1HG1      VAL  44  -8.871  -4.652  -2.011
  380   2HG1  VAL  44          2HG1      VAL  44  -7.290  -4.015  -2.461
  381   3HG1  VAL  44          3HG1      VAL  44  -8.527  -2.932  -1.823
  382   1HG2  VAL  44          1HG2      VAL  44  -5.641  -3.585  -0.929
  383   2HG2  VAL  44          2HG2      VAL  44  -5.872  -3.764   0.810
  384   3HG2  VAL  44          3HG2      VAL  44  -6.538  -2.366  -0.028
  385    H    SER  45           H        SER  45 -10.491  -3.650  -1.061
  386    HA   SER  45           HA       SER  45 -11.960  -5.970   0.013
  387   1HB   SER  45          2HB       SER  45 -14.015  -4.956  -0.783
  388   2HB   SER  45          1HB       SER  45 -13.161  -3.794   0.231
  389    HG   SER  45           HG       SER  45 -14.045  -3.269  -2.076
  390    H    SER  46           H        SER  46 -10.896  -7.478  -1.274
  391    HA   SER  46           HA       SER  46 -11.047  -7.153  -4.174
  392   1HB   SER  46          2HB       SER  46  -8.977  -8.016  -2.801
  393   2HB   SER  46          1HB       SER  46  -9.836  -9.555  -2.853
  394    HG   SER  46           HG       SER  46  -9.364  -9.739  -4.896
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  12.087  -3.603  -0.888
    2   2H    MET   1          2HT       MET   1  13.577  -4.236  -1.457
    3   3H    MET   1          3HT       MET   1  12.366  -5.294  -0.858
    4    HA   MET   1           HA       MET   1  10.907  -4.460  -2.653
    5   1HB   MET   1          2HB       MET   1  13.431  -3.006  -3.151
    6   2HB   MET   1          1HB       MET   1  12.674  -3.701  -4.579
    7   1HG   MET   1          2HG       MET   1  11.880  -1.490  -4.392
    8   2HG   MET   1          1HG       MET   1  10.558  -2.547  -3.902
    9   1HE   MET   1          1HE       MET   1   9.397  -2.552  -2.189
   10   2HE   MET   1          2HE       MET   1   9.216  -1.124  -1.171
   11   3HE   MET   1          3HE       MET   1  10.063  -2.543  -0.556
   12    H    ARG   2           H        ARG   2  14.216  -5.715  -2.633
   13    HA   ARG   2           HA       ARG   2  13.873  -7.518  -4.789
   14   1HB   ARG   2          2HB       ARG   2  15.829  -7.728  -2.494
   15   2HB   ARG   2          1HB       ARG   2  15.964  -8.513  -4.062
   16   1HG   ARG   2          2HG       ARG   2  15.714  -5.583  -4.133
   17   2HG   ARG   2          1HG       ARG   2  17.196  -6.210  -3.409
   18   1HD   ARG   2          2HD       ARG   2  17.671  -7.495  -5.400
   19   2HD   ARG   2          1HD       ARG   2  16.136  -7.007  -6.118
   20    HE   ARG   2           HE       ARG   2  17.348  -4.646  -5.656
   21   1HH1  ARG   2          1HH1      ARG   2  18.432  -7.567  -7.248
   22   2HH1  ARG   2          2HH1      ARG   2  19.491  -6.726  -8.329
   23   1HH2  ARG   2          1HH2      ARG   2  18.742  -3.550  -7.079
   24   2HH2  ARG   2          2HH2      ARG   2  19.668  -4.451  -8.234
   25    H    LYS   3           H        LYS   3  13.834  -8.012  -1.263
   26    HA   LYS   3           HA       LYS   3  11.799 -10.000  -1.438
   27   1HB   LYS   3          2HB       LYS   3  13.948 -11.198  -2.167
   28   2HB   LYS   3          1HB       LYS   3  14.467 -11.034  -0.495
   29   1HG   LYS   3          2HG       LYS   3  13.534 -13.200  -0.748
   30   2HG   LYS   3          1HG       LYS   3  12.386 -12.237   0.184
   31   1HD   LYS   3          2HD       LYS   3  10.871 -12.118  -1.552
   32   2HD   LYS   3          1HD       LYS   3  12.108 -12.379  -2.785
   33   1HE   LYS   3          2HE       LYS   3  12.338 -14.723  -1.916
   34   2HE   LYS   3          1HE       LYS   3  10.924 -14.416  -0.908
   35   1HZ   LYS   3          1HZ       LYS   3  11.029 -14.345  -3.875
   36   2HZ   LYS   3          2HZ       LYS   3   9.677 -13.916  -2.955
   37   3HZ   LYS   3          3HZ       LYS   3  10.253 -15.506  -2.919
   38    H    LEU   4           H        LEU   4  10.635  -9.334   0.247
   39    HA   LEU   4           HA       LEU   4  11.971  -9.111   2.853
   40   1HB   LEU   4          2HB       LEU   4   9.742  -7.242   2.145
   41   2HB   LEU   4          1HB       LEU   4  10.954  -7.088   3.401
   42    HG   LEU   4           HG       LEU   4  11.507  -6.811   0.444
   43   1HD1  LEU   4          1HD1      LEU   4  11.158  -4.593   0.574
   44   2HD1  LEU   4          2HD1      LEU   4  11.743  -4.488   2.235
   45   3HD1  LEU   4          3HD1      LEU   4  10.098  -5.039   1.912
   46   1HD2  LEU   4          1HD2      LEU   4  13.687  -6.525   0.939
   47   2HD2  LEU   4          2HD2      LEU   4  13.281  -7.483   2.363
   48   3HD2  LEU   4          3HD2      LEU   4  13.346  -5.723   2.472
   49    H    SER   5           H        SER   5  10.679  -9.609   4.658
   50    HA   SER   5           HA       SER   5   8.804 -11.664   4.299
   51   1HB   SER   5          2HB       SER   5   8.758 -10.056   6.810
   52   2HB   SER   5          1HB       SER   5   8.738 -11.806   6.598
   53    HG   SER   5           HG       SER   5  10.740 -11.161   7.398
   54    H    ASP   6           H        ASP   6   6.541 -11.719   4.758
   55    HA   ASP   6           HA       ASP   6   5.083  -9.633   3.550
   56   1HB   ASP   6          2HB       ASP   6   3.644 -11.379   5.503
   57   2HB   ASP   6          1HB       ASP   6   3.171 -10.859   3.895
   58    H    GLU   7           H        GLU   7   6.047 -10.224   6.843
   59    HA   GLU   7           HA       GLU   7   4.271  -8.411   8.082
   60   1HB   GLU   7          2HB       GLU   7   6.691  -9.905   8.844
   61   2HB   GLU   7          1HB       GLU   7   6.461  -8.398   9.721
   62   1HG   GLU   7          2HG       GLU   7   4.915  -9.314  11.007
   63   2HG   GLU   7          1HG       GLU   7   3.986  -9.835   9.603
   64    H    LEU   8           H        LEU   8   7.507  -8.070   6.739
   65    HA   LEU   8           HA       LEU   8   7.651  -5.271   7.436
   66   1HB   LEU   8          2HB       LEU   8   9.425  -7.196   6.014
   67   2HB   LEU   8          1HB       LEU   8   9.673  -5.479   5.756
   68    HG   LEU   8           HG       LEU   8   9.681  -5.376   8.373
   69   1HD1  LEU   8          1HD1      LEU   8   9.045  -7.852   8.443
   70   2HD1  LEU   8          2HD1      LEU   8  10.334  -7.300   9.513
   71   3HD1  LEU   8          3HD1      LEU   8  10.730  -8.159   8.024
   72   1HD2  LEU   8          1HD2      LEU   8  11.950  -6.431   6.699
   73   2HD2  LEU   8          2HD2      LEU   8  12.126  -5.796   8.334
   74   3HD2  LEU   8          3HD2      LEU   8  11.564  -4.743   7.036
   75    H    LEU   9           H        LEU   9   6.949  -7.217   4.596
   76    HA   LEU   9           HA       LEU   9   6.870  -5.119   2.712
   77   1HB   LEU   9          2HB       LEU   9   6.981  -7.399   1.957
   78   2HB   LEU   9          1HB       LEU   9   5.500  -7.804   2.800
   79    HG   LEU   9           HG       LEU   9   4.392  -6.077   1.209
   80   1HD1  LEU   9          1HD1      LEU   9   6.997  -6.630  -0.189
   81   2HD1  LEU   9          2HD1      LEU   9   6.309  -5.066   0.247
   82   3HD1  LEU   9          3HD1      LEU   9   5.555  -6.040  -1.014
   83   1HD2  LEU   9          1HD2      LEU   9   4.104  -7.831  -0.509
   84   2HD2  LEU   9          2HD2      LEU   9   3.905  -8.440   1.134
   85   3HD2  LEU   9          3HD2      LEU   9   5.400  -8.754   0.252
   86    H    ILE  10           H        ILE  10   4.412  -6.598   4.760
   87    HA   ILE  10           HA       ILE  10   2.319  -4.913   3.827
   88    HB   ILE  10           HB       ILE  10   2.485  -6.634   6.299
   89   1HG1  ILE  10          2HG1      ILE  10   0.822  -7.212   3.884
   90   2HG1  ILE  10          1HG1      ILE  10   2.552  -7.533   3.820
   91   1HG2  ILE  10          1HG2      ILE  10   0.814  -4.947   6.679
   92   2HG2  ILE  10          2HG2      ILE  10  -0.004  -6.460   6.287
   93   3HG2  ILE  10          3HG2      ILE  10   0.139  -5.193   5.069
   94   1HD1  ILE  10          1HD1      ILE  10   2.310  -9.400   4.956
   95   2HD1  ILE  10          2HD1      ILE  10   0.570  -9.186   4.804
   96   3HD1  ILE  10          3HD1      ILE  10   1.407  -8.582   6.230
   97    H    GLU  11           H        GLU  11   4.643  -4.819   6.445
   98    HA   GLU  11           HA       GLU  11   3.519  -2.691   7.912
   99   1HB   GLU  11          2HB       GLU  11   6.082  -4.098   7.816
  100   2HB   GLU  11          1HB       GLU  11   6.267  -2.403   8.212
  101   1HG   GLU  11          2HG       GLU  11   6.055  -3.886  10.182
  102   2HG   GLU  11          1HG       GLU  11   4.843  -2.608  10.109
  103    H    SER  12           H        SER  12   5.338  -2.819   4.941
  104    HA   SER  12           HA       SER  12   6.041  -0.043   4.896
  105   1HB   SER  12          2HB       SER  12   5.790  -1.869   2.497
  106   2HB   SER  12          1HB       SER  12   6.808  -0.439   2.667
  107    HG   SER  12           HG       SER  12   8.009  -2.361   2.926
  108    H    TYR  13           H        TYR  13   3.520  -2.035   3.392
  109    HA   TYR  13           HA       TYR  13   2.209   0.057   2.024
  110   1HB   TYR  13          2HB       TYR  13   1.835  -2.364   1.584
  111   2HB   TYR  13          1HB       TYR  13   1.005  -2.492   3.128
  112    HD1  TYR  13           1HD      TYR  13  -1.294  -2.162   3.231
  113    HD2  TYR  13           2HD      TYR  13   0.864  -0.649  -0.109
  114    HE1  TYR  13           1HE      TYR  13  -3.413  -1.536   2.152
  115    HE2  TYR  13           2HE      TYR  13  -1.249  -0.018  -1.196
  116    HH   TYR  13           HH       TYR  13  -4.189  -1.168  -0.308
  117    H    PHE  14           H        PHE  14   1.902  -1.267   5.263
  118    HA   PHE  14           HA       PHE  14  -0.376   0.281   5.997
  119   1HB   PHE  14          2HB       PHE  14   1.657  -1.272   7.576
  120   2HB   PHE  14          1HB       PHE  14   0.339  -0.414   8.347
  121    HD1  PHE  14           1HD      PHE  14  -0.131  -2.712   9.304
  122    HD2  PHE  14           2HD      PHE  14  -0.558  -1.826   5.158
  123    HE1  PHE  14           1HE      PHE  14  -1.557  -4.698   9.025
  124    HE2  PHE  14           2HE      PHE  14  -1.984  -3.807   4.879
  125    HZ   PHE  14           HZ       PHE  14  -2.482  -5.254   6.809
  126    H    LYS  15           H        LYS  15   3.104   0.559   6.584
  127    HA   LYS  15           HA       LYS  15   3.003   2.926   8.115
  128   1HB   LYS  15          2HB       LYS  15   5.154   1.559   6.528
  129   2HB   LYS  15          1HB       LYS  15   5.446   3.127   7.263
  130   1HG   LYS  15          2HG       LYS  15   4.550   0.682   8.774
  131   2HG   LYS  15          1HG       LYS  15   6.225   1.218   8.631
  132   1HD   LYS  15          2HD       LYS  15   5.877   2.453  10.456
  133   2HD   LYS  15          1HD       LYS  15   4.847   3.487   9.464
  134   1HE   LYS  15          2HE       LYS  15   3.202   2.968  10.880
  135   2HE   LYS  15          1HE       LYS  15   3.193   1.377  10.120
  136   1HZ   LYS  15          1HZ       LYS  15   3.360   1.296  12.562
  137   2HZ   LYS  15          2HZ       LYS  15   4.846   2.098  12.479
  138   3HZ   LYS  15          3HZ       LYS  15   4.677   0.561  11.796
  139    H    ALA  16           H        ALA  16   3.412   2.328   4.659
  140    HA   ALA  16           HA       ALA  16   3.865   5.010   3.917
  141   1HB   ALA  16          1HB       ALA  16   2.985   2.575   2.409
  142   2HB   ALA  16          2HB       ALA  16   4.530   3.423   2.344
  143   3HB   ALA  16          3HB       ALA  16   3.094   4.151   1.626
  144    H    THR  17           H        THR  17   0.909   3.105   4.238
  145    HA   THR  17           HA       THR  17  -0.815   4.999   3.048
  146    HB   THR  17           HB       THR  17  -2.598   3.793   4.408
  147    HG1  THR  17           1HG      THR  17  -1.136   3.107   6.074
  148   1HG2  THR  17          1HG2      THR  17  -2.461   2.922   2.292
  149   2HG2  THR  17          2HG2      THR  17  -2.080   1.513   3.282
  150   3HG2  THR  17          3HG2      THR  17  -0.785   2.413   2.493
  151    H    GLU  18           H        GLU  18   0.495   4.643   6.269
  152    HA   GLU  18           HA       GLU  18  -1.248   6.547   7.493
  153   1HB   GLU  18          2HB       GLU  18   1.031   4.885   8.304
  154   2HB   GLU  18          1HB       GLU  18   0.927   6.422   9.150
  155   1HG   GLU  18          2HG       GLU  18  -1.295   5.914   9.907
  156   2HG   GLU  18          1HG       GLU  18  -1.325   4.438   8.945
  157    H    MET  19           H        MET  19   2.120   6.658   6.403
  158    HA   MET  19           HA       MET  19   2.378   9.448   7.030
  159   1HB   MET  19          2HB       MET  19   4.612   9.239   6.189
  160   2HB   MET  19          1HB       MET  19   4.254   7.837   7.179
  161   1HG   MET  19          2HG       MET  19   3.984   6.461   5.257
  162   2HG   MET  19          1HG       MET  19   4.066   7.852   4.180
  163   1HE   MET  19          1HE       MET  19   6.717   5.301   6.288
  164   2HE   MET  19          2HE       MET  19   7.087   5.041   4.584
  165   3HE   MET  19          3HE       MET  19   5.415   4.988   5.142
  166    H    ASN  20           H        ASN  20   1.154   7.723   4.362
  167    HA   ASN  20           HA       ASN  20   0.247   8.447   2.398
  168   1HB   ASN  20          2HB       ASN  20   1.327  11.211   2.898
  169   2HB   ASN  20          1HB       ASN  20  -0.048  10.742   1.907
  170   1HD2  ASN  20          1HD2      ASN  20  -1.399   9.071   3.597
  171   2HD2  ASN  20          2HD2      ASN  20  -1.974   9.963   4.960
  172    H    LEU  21           H        LEU  21   2.767   7.286   2.633
  173    HA   LEU  21           HA       LEU  21   4.878   8.492   1.294
  174   1HB   LEU  21          2HB       LEU  21   4.608   6.180   2.516
  175   2HB   LEU  21          1HB       LEU  21   4.269   5.587   0.904
  176    HG   LEU  21           HG       LEU  21   6.771   7.144   1.450
  177   1HD1  LEU  21          1HD1      LEU  21   7.166   4.279   1.495
  178   2HD1  LEU  21          2HD1      LEU  21   6.157   4.824   2.834
  179   3HD1  LEU  21          3HD1      LEU  21   7.759   5.521   2.595
  180   1HD2  LEU  21          1HD2      LEU  21   7.097   6.733  -0.712
  181   2HD2  LEU  21          2HD2      LEU  21   5.616   5.781  -0.793
  182   3HD2  LEU  21          3HD2      LEU  21   7.139   5.006  -0.358
  183    H    ASN  22           H        ASN  22   5.670   8.119  -0.909
  184    HA   ASN  22           HA       ASN  22   4.094   8.984  -2.927
  185   1HB   ASN  22          2HB       ASN  22   6.619   8.492  -2.913
  186   2HB   ASN  22          1HB       ASN  22   6.176   6.887  -3.485
  187   1HD2  ASN  22          1HD2      ASN  22   7.012   9.951  -4.403
  188   2HD2  ASN  22          2HD2      ASN  22   6.451   9.915  -6.037
  189    H    ARG  23           H        ARG  23   2.572   8.249  -4.276
  190    HA   ARG  23           HA       ARG  23   1.059   6.001  -3.720
  191   1HB   ARG  23          2HB       ARG  23   0.360   7.995  -5.073
  192   2HB   ARG  23          1HB       ARG  23   1.268   7.326  -6.422
  193   1HG   ARG  23          2HG       ARG  23  -0.662   6.367  -6.995
  194   2HG   ARG  23          1HG       ARG  23  -0.298   5.212  -5.712
  195   1HD   ARG  23          2HD       ARG  23  -1.480   6.955  -4.182
  196   2HD   ARG  23          1HD       ARG  23  -2.169   7.545  -5.694
  197    HE   ARG  23           HE       ARG  23  -2.450   4.707  -5.298
  198   1HH1  ARG  23          1HH1      ARG  23  -3.889   7.843  -4.721
  199   2HH1  ARG  23          2HH1      ARG  23  -5.488   7.207  -4.535
  200   1HH2  ARG  23          1HH2      ARG  23  -4.551   3.880  -5.053
  201   2HH2  ARG  23          2HH2      ARG  23  -5.865   4.961  -4.723
  202    H    ASP  24           H        ASP  24   3.854   6.303  -5.804
  203    HA   ASP  24           HA       ASP  24   3.481   3.877  -7.206
  204   1HB   ASP  24          2HB       ASP  24   5.714   5.798  -6.828
  205   2HB   ASP  24          1HB       ASP  24   6.148   4.172  -7.344
  206    H    PHE  25           H        PHE  25   4.959   4.659  -4.132
  207    HA   PHE  25           HA       PHE  25   6.156   2.077  -3.774
  208   1HB   PHE  25          2HB       PHE  25   6.754   4.378  -2.645
  209   2HB   PHE  25          1HB       PHE  25   5.510   3.911  -1.490
  210    HD1  PHE  25           1HD      PHE  25   8.508   2.450  -3.162
  211    HD2  PHE  25           2HD      PHE  25   6.173   2.764   0.382
  212    HE1  PHE  25           1HE      PHE  25  10.152   1.069  -1.960
  213    HE2  PHE  25           2HE      PHE  25   7.813   1.386   1.590
  214    HZ   PHE  25           HZ       PHE  25   9.806   0.535   0.419
  215    H    ILE  26           H        ILE  26   3.254   3.744  -2.664
  216    HA   ILE  26           HA       ILE  26   2.239   1.718  -1.005
  217    HB   ILE  26           HB       ILE  26   0.801   3.867  -2.576
  218   1HG1  ILE  26          2HG1      ILE  26   1.661   3.701   0.320
  219   2HG1  ILE  26          1HG1      ILE  26   2.379   4.723  -0.920
  220   1HG2  ILE  26          1HG2      ILE  26  -0.245   2.043  -0.409
  221   2HG2  ILE  26          2HG2      ILE  26  -0.811   2.158  -2.076
  222   3HG2  ILE  26          3HG2      ILE  26  -1.070   3.501  -0.962
  223   1HD1  ILE  26          1HD1      ILE  26   1.032   6.212   0.178
  224   2HD1  ILE  26          2HD1      ILE  26  -0.215   5.009   0.507
  225   3HD1  ILE  26          3HD1      ILE  26  -0.042   5.679  -1.116
  226    H    GLU  27           H        GLU  27   1.750   2.415  -4.454
  227    HA   GLU  27           HA       GLU  27  -0.021   0.217  -4.860
  228   1HB   GLU  27          2HB       GLU  27   0.589   2.445  -6.298
  229   2HB   GLU  27          1HB       GLU  27   1.498   1.229  -7.181
  230   1HG   GLU  27          2HG       GLU  27  -0.679   1.513  -8.167
  231   2HG   GLU  27          1HG       GLU  27  -0.548  -0.093  -7.451
  232    H    LEU  28           H        LEU  28   3.423   0.710  -5.050
  233    HA   LEU  28           HA       LEU  28   4.076  -1.669  -6.433
  234   1HB   LEU  28          2HB       LEU  28   5.758  -0.058  -6.435
  235   2HB   LEU  28          1HB       LEU  28   5.556   0.305  -4.735
  236    HG   LEU  28           HG       LEU  28   6.655  -2.362  -5.527
  237   1HD1  LEU  28          1HD1      LEU  28   8.528  -0.094  -5.095
  238   2HD1  LEU  28          2HD1      LEU  28   7.803  -0.295  -6.691
  239   3HD1  LEU  28          3HD1      LEU  28   8.760  -1.598  -5.986
  240   1HD2  LEU  28          1HD2      LEU  28   8.020  -1.711  -3.399
  241   2HD2  LEU  28          2HD2      LEU  28   6.354  -2.264  -3.244
  242   3HD2  LEU  28          3HD2      LEU  28   6.722  -0.541  -3.162
  243    H    ILE  29           H        ILE  29   3.963  -0.853  -2.975
  244    HA   ILE  29           HA       ILE  29   4.693  -3.447  -2.084
  245    HB   ILE  29           HB       ILE  29   3.107  -1.372  -0.563
  246   1HG1  ILE  29          2HG1      ILE  29   6.043  -1.720  -0.196
  247   2HG1  ILE  29          1HG1      ILE  29   5.497  -0.833  -1.614
  248   1HG2  ILE  29          1HG2      ILE  29   3.061  -3.580   0.452
  249   2HG2  ILE  29          2HG2      ILE  29   4.038  -2.474   1.418
  250   3HG2  ILE  29          3HG2      ILE  29   4.821  -3.666   0.380
  251   1HD1  ILE  29          1HD1      ILE  29   5.924   0.207   0.889
  252   2HD1  ILE  29          2HD1      ILE  29   4.171   0.028   0.818
  253   3HD1  ILE  29          3HD1      ILE  29   5.012   0.971  -0.412
  254    H    GLU  30           H        GLU  30   1.678  -1.903  -2.941
  255    HA   GLU  30           HA       GLU  30   0.005  -3.976  -1.873
  256   1HB   GLU  30          2HB       GLU  30  -0.567  -1.477  -2.410
  257   2HB   GLU  30          1HB       GLU  30  -0.875  -2.088  -4.028
  258   1HG   GLU  30          2HG       GLU  30  -2.312  -3.853  -2.650
  259   2HG   GLU  30          1HG       GLU  30  -2.382  -2.502  -1.521
  260    H    ASN  31           H        ASN  31   1.517  -3.237  -4.938
  261    HA   ASN  31           HA       ASN  31   0.084  -5.107  -6.511
  262   1HB   ASN  31          2HB       ASN  31   2.611  -3.542  -6.829
  263   2HB   ASN  31          1HB       ASN  31   2.300  -4.870  -7.942
  264   1HD2  ASN  31          1HD2      ASN  31   2.497  -2.533  -9.085
  265   2HD2  ASN  31          2HD2      ASN  31   0.959  -1.887  -9.538
  266    H    GLU  32           H        GLU  32   2.843  -5.363  -4.402
  267    HA   GLU  32           HA       GLU  32   3.619  -7.969  -5.376
  268   1HB   GLU  32          2HB       GLU  32   5.108  -6.157  -4.219
  269   2HB   GLU  32          1HB       GLU  32   4.477  -6.842  -2.728
  270   1HG   GLU  32          2HG       GLU  32   6.237  -8.206  -2.867
  271   2HG   GLU  32          1HG       GLU  32   5.254  -9.082  -4.038
  272    H    ILE  33           H        ILE  33   1.989  -6.612  -2.568
  273    HA   ILE  33           HA       ILE  33   1.495  -9.057  -1.235
  274    HB   ILE  33           HB       ILE  33  -0.008  -6.432  -1.098
  275   1HG1  ILE  33          2HG1      ILE  33   2.000  -7.438   0.898
  276   2HG1  ILE  33          1HG1      ILE  33   2.512  -6.548  -0.531
  277   1HG2  ILE  33          1HG2      ILE  33   0.059  -8.444   1.117
  278   2HG2  ILE  33          2HG2      ILE  33  -1.122  -8.601  -0.181
  279   3HG2  ILE  33          3HG2      ILE  33  -1.099  -7.150   0.817
  280   1HD1  ILE  33          1HD1      ILE  33   0.572  -5.535   1.534
  281   2HD1  ILE  33          2HD1      ILE  33   1.199  -4.639   0.149
  282   3HD1  ILE  33          3HD1      ILE  33   2.285  -5.124   1.452
  283    H    LYS  34           H        LYS  34  -0.143  -7.299  -3.792
  284    HA   LYS  34           HA       LYS  34  -2.571  -8.793  -3.687
  285   1HB   LYS  34          2HB       LYS  34  -1.352  -6.770  -5.468
  286   2HB   LYS  34          1HB       LYS  34  -2.489  -7.866  -6.241
  287   1HG   LYS  34          2HG       LYS  34  -4.121  -7.276  -4.411
  288   2HG   LYS  34          1HG       LYS  34  -2.998  -5.999  -3.944
  289   1HD   LYS  34          2HD       LYS  34  -3.141  -5.134  -6.289
  290   2HD   LYS  34          1HD       LYS  34  -4.420  -6.314  -6.584
  291   1HE   LYS  34          2HE       LYS  34  -5.345  -5.162  -4.332
  292   2HE   LYS  34          1HE       LYS  34  -4.468  -3.803  -5.033
  293   1HZ   LYS  34          1HZ       LYS  34  -6.204  -5.302  -6.829
  294   2HZ   LYS  34          2HZ       LYS  34  -5.912  -3.638  -6.744
  295   3HZ   LYS  34          3HZ       LYS  34  -6.974  -4.367  -5.648
  296    H    ARG  35           H        ARG  35   0.361  -8.957  -5.673
  297    HA   ARG  35           HA       ARG  35  -0.492 -11.226  -7.173
  298   1HB   ARG  35          2HB       ARG  35   1.937  -9.582  -6.941
  299   2HB   ARG  35          1HB       ARG  35   2.241 -11.264  -7.353
  300   1HG   ARG  35          2HG       ARG  35   1.129 -11.110  -9.368
  301   2HG   ARG  35          1HG       ARG  35   0.181  -9.714  -8.856
  302   1HD   ARG  35          2HD       ARG  35   1.920  -8.235  -9.214
  303   2HD   ARG  35          1HD       ARG  35   3.151  -9.490  -9.072
  304    HE   ARG  35           HE       ARG  35   2.913  -9.941 -11.307
  305   1HH1  ARG  35          1HH1      ARG  35   0.235  -7.941 -10.272
  306   2HH1  ARG  35          2HH1      ARG  35  -0.336  -7.666 -11.883
  307   1HH2  ARG  35          1HH2      ARG  35   2.155  -9.574 -13.418
  308   2HH2  ARG  35          2HH2      ARG  35   0.751  -8.592 -13.666
  309    H    ARG  36           H        ARG  36   0.959 -10.772  -4.065
  310    HA   ARG  36           HA       ARG  36   1.958 -13.468  -3.844
  311   1HB   ARG  36          2HB       ARG  36   1.896 -11.047  -2.100
  312   2HB   ARG  36          1HB       ARG  36   2.149 -12.612  -1.345
  313   1HG   ARG  36          2HG       ARG  36   4.024 -12.946  -3.030
  314   2HG   ARG  36          1HG       ARG  36   3.863 -11.222  -3.376
  315   1HD   ARG  36          2HD       ARG  36   4.049 -10.969  -0.791
  316   2HD   ARG  36          1HD       ARG  36   4.760 -12.580  -0.868
  317    HE   ARG  36           HE       ARG  36   5.977 -10.808  -2.732
  318   1HH1  ARG  36          1HH1      ARG  36   5.931 -11.669   0.659
  319   2HH1  ARG  36          2HH1      ARG  36   7.549 -11.122   0.942
  320   1HH2  ARG  36          1HH2      ARG  36   8.100 -10.092  -2.350
  321   2HH2  ARG  36          2HH2      ARG  36   8.778 -10.228  -0.762
  322    H    SER  37           H        SER  37  -1.122 -12.444  -3.933
  323    HA   SER  37           HA       SER  37  -3.104 -13.256  -3.177
  324   1HB   SER  37          2HB       SER  37  -1.868 -15.436  -3.748
  325   2HB   SER  37          1HB       SER  37  -1.596 -15.594  -2.013
  326    HG   SER  37           HG       SER  37  -3.514 -16.437  -1.978
  327    H    LEU  38           H        LEU  38  -1.589 -11.488  -1.532
  328    HA   LEU  38           HA       LEU  38  -2.536 -12.286   1.150
  329   1HB   LEU  38          2HB       LEU  38   0.021 -12.086   0.605
  330   2HB   LEU  38          1HB       LEU  38  -0.285 -10.367   0.753
  331    HG   LEU  38           HG       LEU  38  -1.263 -10.882   3.046
  332   1HD1  LEU  38          1HD1      LEU  38   0.374 -13.365   2.994
  333   2HD1  LEU  38          2HD1      LEU  38  -1.272 -13.420   2.360
  334   3HD1  LEU  38          3HD1      LEU  38  -0.985 -12.927   4.029
  335   1HD2  LEU  38          1HD2      LEU  38   0.975 -11.003   4.078
  336   2HD2  LEU  38          2HD2      LEU  38   0.884  -9.811   2.780
  337   3HD2  LEU  38          3HD2      LEU  38   1.658 -11.370   2.495
  338    H    GLY  39           H        GLY  39  -3.885 -10.762  -1.035
  339   1HA   GLY  39          2HA       GLY  39  -3.911  -7.997  -0.321
  340   2HA   GLY  39          1HA       GLY  39  -5.083  -8.820  -1.341
  341    H    HIS  40           H        HIS  40  -5.172 -10.666   1.318
  342    HA   HIS  40           HA       HIS  40  -7.510  -9.294   2.326
  343   1HB   HIS  40          2HB       HIS  40  -7.734 -11.298   3.796
  344   2HB   HIS  40          1HB       HIS  40  -7.644 -11.707   2.086
  345    HD1  HIS  40           1HD      HIS  40  -5.683 -13.133   1.321
  346    HD2  HIS  40           2HD      HIS  40  -5.434 -12.007   5.313
  347    HE1  HIS  40           1HE      HIS  40  -3.810 -14.504   2.290
  348    HE2  HIS  40           2HE      HIS  40  -3.666 -13.794   4.703
  349    H    ILE  41           H        ILE  41  -4.199  -9.907   3.232
  350    HA   ILE  41           HA       ILE  41  -4.312  -9.217   5.948
  351    HB   ILE  41           HB       ILE  41  -2.393 -10.269   4.550
  352   1HG1  ILE  41          2HG1      ILE  41  -0.725  -9.562   6.210
  353   2HG1  ILE  41          1HG1      ILE  41  -1.790  -8.250   6.710
  354   1HG2  ILE  41          1HG2      ILE  41  -1.157  -7.580   4.466
  355   2HG2  ILE  41          2HG2      ILE  41  -2.287  -8.007   3.184
  356   3HG2  ILE  41          3HG2      ILE  41  -0.858  -8.997   3.462
  357   1HD1  ILE  41          1HD1      ILE  41  -3.314  -9.707   7.679
  358   2HD1  ILE  41          2HD1      ILE  41  -1.749 -10.412   8.086
  359   3HD1  ILE  41          3HD1      ILE  41  -2.709 -11.093   6.772
  360    H    ILE  42           H        ILE  42  -4.143  -7.330   3.029
  361    HA   ILE  42           HA       ILE  42  -3.683  -4.818   4.369
  362    HB   ILE  42           HB       ILE  42  -4.157  -3.848   2.072
  363   1HG1  ILE  42          2HG1      ILE  42  -4.061  -6.751   1.241
  364   2HG1  ILE  42          1HG1      ILE  42  -5.486  -5.720   1.192
  365   1HG2  ILE  42          1HG2      ILE  42  -2.009  -4.718   1.118
  366   2HG2  ILE  42          2HG2      ILE  42  -1.934  -5.805   2.505
  367   3HG2  ILE  42          3HG2      ILE  42  -1.921  -4.058   2.752
  368   1HD1  ILE  42          1HD1      ILE  42  -3.126  -5.798  -0.581
  369   2HD1  ILE  42          2HD1      ILE  42  -3.861  -4.224  -0.274
  370   3HD1  ILE  42          3HD1      ILE  42  -4.827  -5.529  -0.960
  371    H    SER  43           H        SER  43  -5.168  -3.029   4.305
  372    HA   SER  43           HA       SER  43  -7.858  -3.842   4.889
  373   1HB   SER  43          2HB       SER  43  -6.568  -1.968   6.058
  374   2HB   SER  43          1HB       SER  43  -6.883  -0.995   4.621
  375    HG   SER  43           HG       SER  43  -8.934  -0.839   5.158
  376    H    VAL  44           H        VAL  44  -7.867  -4.746   2.562
  377    HA   VAL  44           HA       VAL  44  -9.002  -2.705   0.767
  378    HB   VAL  44           HB       VAL  44  -7.551  -5.216  -0.077
  379   1HG1  VAL  44          1HG1      VAL  44  -8.632  -2.863  -1.605
  380   2HG1  VAL  44          2HG1      VAL  44  -9.100  -4.557  -1.752
  381   3HG1  VAL  44          3HG1      VAL  44  -7.501  -4.034  -2.284
  382   1HG2  VAL  44          1HG2      VAL  44  -6.595  -2.373   0.125
  383   2HG2  VAL  44          2HG2      VAL  44  -5.773  -3.615  -0.817
  384   3HG2  VAL  44          3HG2      VAL  44  -5.937  -3.795   0.930
  385    H    SER  45           H        SER  45 -10.758  -3.345  -0.548
  386    HA   SER  45           HA       SER  45 -12.150  -5.764   0.404
  387   1HB   SER  45          2HB       SER  45 -14.229  -4.421  -0.446
  388   2HB   SER  45          1HB       SER  45 -13.530  -4.030   1.124
  389    HG   SER  45           HG       SER  45 -13.350  -2.093   0.346
  390    H    SER  46           H        SER  46 -11.300  -7.103  -1.191
  391    HA   SER  46           HA       SER  46 -11.340  -6.474  -3.959
  392   1HB   SER  46          2HB       SER  46  -9.922  -8.248  -2.757
  393   2HB   SER  46          1HB       SER  46 -11.353  -9.274  -2.841
  394    HG   SER  46           HG       SER  46  -9.557  -8.698  -4.764
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  10.528  -3.901  -5.330
    2   2H    MET   1          2HT       MET   1  11.646  -3.074  -4.324
    3   3H    MET   1          3HT       MET   1   9.960  -2.853  -4.097
    4    HA   MET   1           HA       MET   1  10.993  -4.290  -2.453
    5   1HB   MET   1          2HB       MET   1   8.610  -4.556  -3.923
    6   2HB   MET   1          1HB       MET   1   9.222  -6.192  -3.729
    7   1HG   MET   1          2HG       MET   1   8.008  -6.038  -1.829
    8   2HG   MET   1          1HG       MET   1   9.532  -5.386  -1.230
    9   1HE   MET   1          1HE       MET   1   9.799  -2.977  -0.250
   10   2HE   MET   1          2HE       MET   1   8.924  -1.616  -0.955
   11   3HE   MET   1          3HE       MET   1   9.940  -2.635  -1.975
   12    H    ARG   2           H        ARG   2  13.053  -5.076  -2.616
   13    HA   ARG   2           HA       ARG   2  13.766  -6.983  -4.668
   14   1HB   ARG   2          2HB       ARG   2  15.307  -5.931  -2.289
   15   2HB   ARG   2          1HB       ARG   2  15.973  -7.002  -3.514
   16   1HG   ARG   2          2HG       ARG   2  16.176  -5.355  -5.041
   17   2HG   ARG   2          1HG       ARG   2  14.713  -4.526  -4.504
   18   1HD   ARG   2          2HD       ARG   2  17.363  -4.524  -3.060
   19   2HD   ARG   2          1HD       ARG   2  16.744  -3.212  -4.061
   20    HE   ARG   2           HE       ARG   2  14.792  -3.640  -2.196
   21   1HH1  ARG   2          1HH1      ARG   2  18.204  -2.878  -2.056
   22   2HH1  ARG   2          2HH1      ARG   2  18.071  -2.014  -0.562
   23   1HH2  ARG   2          1HH2      ARG   2  14.628  -2.503  -0.235
   24   2HH2  ARG   2          2HH2      ARG   2  16.046  -1.800   0.470
   25    H    LYS   3           H        LYS   3  13.525  -7.025  -1.113
   26    HA   LYS   3           HA       LYS   3  12.464  -9.662  -1.077
   27   1HB   LYS   3          2HB       LYS   3  14.395 -10.667   0.213
   28   2HB   LYS   3          1HB       LYS   3  14.671 -10.425  -1.507
   29   1HG   LYS   3          2HG       LYS   3  16.196  -8.751  -1.170
   30   2HG   LYS   3          1HG       LYS   3  15.509  -8.290   0.389
   31   1HD   LYS   3          2HD       LYS   3  16.397 -10.349   1.381
   32   2HD   LYS   3          1HD       LYS   3  17.093 -10.796  -0.178
   33   1HE   LYS   3          2HE       LYS   3  18.466  -8.756  -0.128
   34   2HE   LYS   3          1HE       LYS   3  17.792  -8.355   1.452
   35   1HZ   LYS   3          1HZ       LYS   3  19.770 -10.369   0.731
   36   2HZ   LYS   3          2HZ       LYS   3  18.671 -10.792   1.946
   37   3HZ   LYS   3          3HZ       LYS   3  19.646  -9.423   2.129
   38    H    LEU   4           H        LEU   4  11.289  -9.895   0.724
   39    HA   LEU   4           HA       LEU   4  12.033  -9.080   3.296
   40   1HB   LEU   4          2HB       LEU   4  10.086  -7.285   3.387
   41   2HB   LEU   4          1HB       LEU   4  11.739  -6.851   3.002
   42    HG   LEU   4           HG       LEU   4  11.234  -6.692   0.661
   43   1HD1  LEU   4          1HD1      LEU   4   8.689  -8.035   1.450
   44   2HD1  LEU   4          2HD1      LEU   4   9.783  -8.396   0.116
   45   3HD1  LEU   4          3HD1      LEU   4   8.725  -6.987   0.033
   46   1HD2  LEU   4          1HD2      LEU   4  10.384  -4.933   2.462
   47   2HD2  LEU   4          2HD2      LEU   4   8.822  -5.375   1.771
   48   3HD2  LEU   4          3HD2      LEU   4  10.095  -4.729   0.735
   49    H    SER   5           H        SER   5  10.556  -9.716   4.869
   50    HA   SER   5           HA       SER   5   8.728 -11.748   4.107
   51   1HB   SER   5          2HB       SER   5   8.766 -10.395   6.799
   52   2HB   SER   5          1HB       SER   5   8.339 -12.064   6.419
   53    HG   SER   5           HG       SER   5  10.471 -12.522   6.052
   54    H    ASP   6           H        ASP   6   6.416 -11.782   4.761
   55    HA   ASP   6           HA       ASP   6   5.008  -9.674   3.549
   56   1HB   ASP   6          2HB       ASP   6   3.558 -11.307   5.589
   57   2HB   ASP   6          1HB       ASP   6   3.061 -10.811   3.981
   58    H    GLU   7           H        GLU   7   6.159 -10.113   6.783
   59    HA   GLU   7           HA       GLU   7   4.450  -8.190   8.017
   60   1HB   GLU   7          2HB       GLU   7   6.686  -9.892   8.801
   61   2HB   GLU   7          1HB       GLU   7   6.766  -8.306   9.557
   62   1HG   GLU   7          2HG       GLU   7   5.568  -9.584  11.073
   63   2HG   GLU   7          1HG       GLU   7   4.318  -8.700  10.198
   64    H    LEU   8           H        LEU   8   7.593  -8.130   6.487
   65    HA   LEU   8           HA       LEU   8   8.104  -5.371   7.133
   66   1HB   LEU   8          2HB       LEU   8   9.478  -7.478   5.538
   67   2HB   LEU   8          1HB       LEU   8   9.906  -5.798   5.268
   68    HG   LEU   8           HG       LEU   8  11.403  -6.914   6.866
   69   1HD1  LEU   8          1HD1      LEU   8  11.655  -5.067   8.158
   70   2HD1  LEU   8          2HD1      LEU   8   9.935  -4.960   8.534
   71   3HD1  LEU   8          3HD1      LEU   8  10.530  -4.414   6.966
   72   1HD2  LEU   8          1HD2      LEU   8  10.719  -7.834   8.866
   73   2HD2  LEU   8          2HD2      LEU   8   9.414  -8.313   7.782
   74   3HD2  LEU   8          3HD2      LEU   8   9.196  -6.944   8.872
   75    H    LEU   9           H        LEU   9   6.819  -7.214   4.454
   76    HA   LEU   9           HA       LEU   9   6.795  -5.047   2.590
   77   1HB   LEU   9          2HB       LEU   9   6.865  -7.306   1.764
   78   2HB   LEU   9          1HB       LEU   9   5.402  -7.721   2.633
   79    HG   LEU   9           HG       LEU   9   4.260  -5.949   1.138
   80   1HD1  LEU   9          1HD1      LEU   9   6.714  -5.330   0.326
   81   2HD1  LEU   9          2HD1      LEU   9   5.304  -5.168  -0.721
   82   3HD1  LEU   9          3HD1      LEU   9   6.349  -6.580  -0.864
   83   1HD2  LEU   9          1HD2      LEU   9   3.754  -8.282   0.934
   84   2HD2  LEU   9          2HD2      LEU   9   5.267  -8.587   0.081
   85   3HD2  LEU   9          3HD2      LEU   9   4.001  -7.630  -0.686
   86    H    ILE  10           H        ILE  10   4.346  -6.619   4.606
   87    HA   ILE  10           HA       ILE  10   2.253  -4.906   3.785
   88    HB   ILE  10           HB       ILE  10   2.476  -6.614   6.257
   89   1HG1  ILE  10          2HG1      ILE  10   0.807  -7.202   3.840
   90   2HG1  ILE  10          1HG1      ILE  10   2.529  -7.569   3.822
   91   1HG2  ILE  10          1HG2      ILE  10   0.087  -6.398   6.490
   92   2HG2  ILE  10          2HG2      ILE  10  -0.005  -5.405   5.035
   93   3HG2  ILE  10          3HG2      ILE  10   0.804  -4.787   6.476
   94   1HD1  ILE  10          1HD1      ILE  10   1.207  -8.524   6.211
   95   2HD1  ILE  10          2HD1      ILE  10   2.251  -9.370   5.071
   96   3HD1  ILE  10          3HD1      ILE  10   0.534  -9.196   4.731
   97    H    GLU  11           H        GLU  11   4.647  -4.773   6.324
   98    HA   GLU  11           HA       GLU  11   3.515  -2.686   7.840
   99   1HB   GLU  11          2HB       GLU  11   6.221  -3.868   7.538
  100   2HB   GLU  11          1HB       GLU  11   6.128  -2.272   8.258
  101   1HG   GLU  11          2HG       GLU  11   4.511  -4.599   9.251
  102   2HG   GLU  11          1HG       GLU  11   6.129  -4.230   9.847
  103    H    SER  12           H        SER  12   5.279  -2.751   4.836
  104    HA   SER  12           HA       SER  12   5.921   0.043   4.810
  105   1HB   SER  12          2HB       SER  12   6.843  -2.057   3.384
  106   2HB   SER  12          1HB       SER  12   5.667  -1.419   2.235
  107    HG   SER  12           HG       SER  12   8.011  -0.570   2.377
  108    H    TYR  13           H        TYR  13   3.418  -1.991   3.350
  109    HA   TYR  13           HA       TYR  13   2.064   0.080   1.985
  110   1HB   TYR  13          2HB       TYR  13   1.752  -2.374   1.575
  111   2HB   TYR  13          1HB       TYR  13   0.877  -2.473   3.095
  112    HD1  TYR  13           1HD      TYR  13   0.823  -0.477  -0.068
  113    HD2  TYR  13           2HD      TYR  13  -1.423  -2.370   3.010
  114    HE1  TYR  13           1HE      TYR  13  -1.261   0.120  -1.229
  115    HE2  TYR  13           2HE      TYR  13  -3.512  -1.780   1.856
  116    HH   TYR  13           HH       TYR  13  -4.090   0.287   0.036
  117    H    PHE  14           H        PHE  14   1.877  -1.218   5.231
  118    HA   PHE  14           HA       PHE  14  -0.439   0.271   5.999
  119   1HB   PHE  14          2HB       PHE  14   1.641  -1.265   7.532
  120   2HB   PHE  14          1HB       PHE  14   0.337  -0.418   8.338
  121    HD1  PHE  14           1HD      PHE  14  -0.147  -2.683   9.314
  122    HD2  PHE  14           2HD      PHE  14  -0.574  -1.866   5.154
  123    HE1  PHE  14           1HE      PHE  14  -1.565  -4.678   9.066
  124    HE2  PHE  14           2HE      PHE  14  -1.993  -3.856   4.906
  125    HZ   PHE  14           HZ       PHE  14  -2.489  -5.272   6.859
  126    H    LYS  15           H        LYS  15   3.040   0.590   6.599
  127    HA   LYS  15           HA       LYS  15   2.893   2.959   8.116
  128   1HB   LYS  15          2HB       LYS  15   5.068   1.595   6.566
  129   2HB   LYS  15          1HB       LYS  15   5.341   3.198   7.226
  130   1HG   LYS  15          2HG       LYS  15   4.584   2.204   9.461
  131   2HG   LYS  15          1HG       LYS  15   4.824   0.637   8.690
  132   1HD   LYS  15          2HD       LYS  15   6.934   2.784   8.829
  133   2HD   LYS  15          1HD       LYS  15   6.789   1.469   9.996
  134   1HE   LYS  15          2HE       LYS  15   6.941  -0.114   8.026
  135   2HE   LYS  15          1HE       LYS  15   7.403   1.284   7.056
  136   1HZ   LYS  15          1HZ       LYS  15   9.294  -0.035   7.950
  137   2HZ   LYS  15          2HZ       LYS  15   8.845   0.444   9.509
  138   3HZ   LYS  15          3HZ       LYS  15   9.333   1.602   8.376
  139    H    ALA  16           H        ALA  16   3.389   2.362   4.667
  140    HA   ALA  16           HA       ALA  16   3.808   5.024   3.900
  141   1HB   ALA  16          1HB       ALA  16   3.050   4.181   1.621
  142   2HB   ALA  16          2HB       ALA  16   2.850   2.609   2.397
  143   3HB   ALA  16          3HB       ALA  16   4.438   3.375   2.354
  144    H    THR  17           H        THR  17   0.827   3.162   4.290
  145    HA   THR  17           HA       THR  17  -0.867   5.101   3.105
  146    HB   THR  17           HB       THR  17  -2.686   3.922   4.394
  147    HG1  THR  17           1HG      THR  17  -2.088   2.773   6.020
  148   1HG2  THR  17          1HG2      THR  17  -1.894   1.546   3.383
  149   2HG2  THR  17          2HG2      THR  17  -0.900   2.663   2.448
  150   3HG2  THR  17          3HG2      THR  17  -2.655   2.832   2.446
  151    H    GLU  18           H        GLU  18   0.465   4.675   6.306
  152    HA   GLU  18           HA       GLU  18  -1.214   6.603   7.577
  153   1HB   GLU  18          2HB       GLU  18   1.072   4.910   8.328
  154   2HB   GLU  18          1HB       GLU  18   0.958   6.428   9.210
  155   1HG   GLU  18          2HG       GLU  18  -1.346   5.860   9.846
  156   2HG   GLU  18          1HG       GLU  18  -1.182   4.320   9.004
  157    H    MET  19           H        MET  19   2.149   6.653   6.458
  158    HA   MET  19           HA       MET  19   2.462   9.438   7.086
  159   1HB   MET  19          2HB       MET  19   4.687   9.187   6.220
  160   2HB   MET  19          1HB       MET  19   4.315   7.800   7.225
  161   1HG   MET  19          2HG       MET  19   3.945   6.439   5.280
  162   2HG   MET  19          1HG       MET  19   4.165   7.830   4.222
  163   1HE   MET  19          1HE       MET  19   5.714   4.919   6.025
  164   2HE   MET  19          2HE       MET  19   7.264   4.897   5.183
  165   3HE   MET  19          3HE       MET  19   5.759   4.862   4.263
  166    H    ASN  20           H        ASN  20   1.201   7.729   4.424
  167    HA   ASN  20           HA       ASN  20   0.304   8.452   2.460
  168   1HB   ASN  20          2HB       ASN  20   1.387  11.213   2.992
  169   2HB   ASN  20          1HB       ASN  20   0.038  10.759   1.959
  170   1HD2  ASN  20          1HD2      ASN  20  -1.706   9.494   3.220
  171   2HD2  ASN  20          2HD2      ASN  20  -2.183  10.202   4.722
  172    H    LEU  21           H        LEU  21   2.796   7.259   2.653
  173    HA   LEU  21           HA       LEU  21   4.909   8.475   1.313
  174   1HB   LEU  21          2HB       LEU  21   4.661   6.160   2.530
  175   2HB   LEU  21          1HB       LEU  21   4.299   5.571   0.922
  176    HG   LEU  21           HG       LEU  21   6.806   7.130   1.439
  177   1HD1  LEU  21          1HD1      LEU  21   7.366   5.558   2.943
  178   2HD1  LEU  21          2HD1      LEU  21   7.682   4.582   1.509
  179   3HD1  LEU  21          3HD1      LEU  21   6.150   4.419   2.366
  180   1HD2  LEU  21          1HD2      LEU  21   7.091   6.737  -0.733
  181   2HD2  LEU  21          2HD2      LEU  21   5.622   5.766  -0.793
  182   3HD2  LEU  21          3HD2      LEU  21   7.161   5.010  -0.385
  183    H    ASN  22           H        ASN  22   5.678   8.130  -0.891
  184    HA   ASN  22           HA       ASN  22   4.079   8.993  -2.892
  185   1HB   ASN  22          2HB       ASN  22   6.552   8.679  -3.022
  186   2HB   ASN  22          1HB       ASN  22   6.281   6.962  -3.303
  187   1HD2  ASN  22          1HD2      ASN  22   7.589   8.862  -5.020
  188   2HD2  ASN  22          2HD2      ASN  22   6.701   8.889  -6.502
  189    H    ARG  23           H        ARG  23   2.549   8.253  -4.228
  190    HA   ARG  23           HA       ARG  23   1.075   5.975  -3.677
  191   1HB   ARG  23          2HB       ARG  23   0.521   8.079  -5.106
  192   2HB   ARG  23          1HB       ARG  23   1.143   7.122  -6.443
  193   1HG   ARG  23          2HG       ARG  23  -0.745   5.620  -4.843
  194   2HG   ARG  23          1HG       ARG  23  -1.447   7.122  -5.447
  195   1HD   ARG  23          2HD       ARG  23   0.126   5.598  -7.410
  196   2HD   ARG  23          1HD       ARG  23  -1.339   4.797  -6.844
  197    HE   ARG  23           HE       ARG  23  -1.726   7.537  -7.638
  198   1HH1  ARG  23          1HH1      ARG  23  -1.669   4.214  -8.728
  199   2HH1  ARG  23          2HH1      ARG  23  -2.674   4.522 -10.103
  200   1HH2  ARG  23          1HH2      ARG  23  -3.044   7.934  -9.447
  201   2HH2  ARG  23          2HH2      ARG  23  -3.453   6.629 -10.512
  202    H    ASP  24           H        ASP  24   3.921   6.300  -5.645
  203    HA   ASP  24           HA       ASP  24   3.555   3.925  -7.155
  204   1HB   ASP  24          2HB       ASP  24   5.964   5.623  -6.535
  205   2HB   ASP  24          1HB       ASP  24   6.095   4.144  -7.483
  206    H    PHE  25           H        PHE  25   5.064   4.630  -4.057
  207    HA   PHE  25           HA       PHE  25   6.183   2.011  -3.745
  208   1HB   PHE  25          2HB       PHE  25   6.847   4.267  -2.570
  209   2HB   PHE  25          1HB       PHE  25   5.587   3.817  -1.425
  210    HD1  PHE  25           1HD      PHE  25   8.092   1.726  -3.216
  211    HD2  PHE  25           2HD      PHE  25   6.658   3.178   0.517
  212    HE1  PHE  25           1HE      PHE  25   9.689   0.270  -2.040
  213    HE2  PHE  25           2HE      PHE  25   8.253   1.727   1.700
  214    HZ   PHE  25           HZ       PHE  25   9.772   0.270   0.421
  215    H    ILE  26           H        ILE  26   3.291   3.708  -2.681
  216    HA   ILE  26           HA       ILE  26   2.238   1.690  -1.027
  217    HB   ILE  26           HB       ILE  26   0.852   3.867  -2.603
  218   1HG1  ILE  26          2HG1      ILE  26   1.651   3.652   0.307
  219   2HG1  ILE  26          1HG1      ILE  26   2.400   4.687  -0.905
  220   1HG2  ILE  26          1HG2      ILE  26  -0.738   2.070  -2.114
  221   2HG2  ILE  26          2HG2      ILE  26  -1.096   3.508  -1.154
  222   3HG2  ILE  26          3HG2      ILE  26  -0.288   2.128  -0.409
  223   1HD1  ILE  26          1HD1      ILE  26  -0.438   4.910   0.073
  224   2HD1  ILE  26          2HD1      ILE  26   0.348   5.970  -1.097
  225   3HD1  ILE  26          3HD1      ILE  26   0.911   5.930   0.573
  226    H    GLU  27           H        GLU  27   1.781   2.413  -4.477
  227    HA   GLU  27           HA       GLU  27   0.012   0.224  -4.917
  228   1HB   GLU  27          2HB       GLU  27   0.656   2.448  -6.349
  229   2HB   GLU  27          1HB       GLU  27   1.573   1.225  -7.217
  230   1HG   GLU  27          2HG       GLU  27  -0.733  -0.066  -7.087
  231   2HG   GLU  27          1HG       GLU  27  -1.357   1.577  -6.957
  232    H    LEU  28           H        LEU  28   3.462   0.699  -5.068
  233    HA   LEU  28           HA       LEU  28   4.115  -1.698  -6.424
  234   1HB   LEU  28          2HB       LEU  28   5.793  -0.072  -6.420
  235   2HB   LEU  28          1HB       LEU  28   5.600   0.267  -4.714
  236    HG   LEU  28           HG       LEU  28   6.676  -2.398  -5.544
  237   1HD1  LEU  28          1HD1      LEU  28   8.006   0.230  -5.868
  238   2HD1  LEU  28          2HD1      LEU  28   8.232  -1.274  -6.761
  239   3HD1  LEU  28          3HD1      LEU  28   8.957  -1.077  -5.165
  240   1HD2  LEU  28          1HD2      LEU  28   6.384  -2.318  -3.257
  241   2HD2  LEU  28          2HD2      LEU  28   6.777  -0.601  -3.161
  242   3HD2  LEU  28          3HD2      LEU  28   8.057  -1.785  -3.418
  243    H    ILE  29           H        ILE  29   3.967  -0.834  -2.981
  244    HA   ILE  29           HA       ILE  29   4.678  -3.416  -2.041
  245    HB   ILE  29           HB       ILE  29   3.090  -1.305  -0.572
  246   1HG1  ILE  29          2HG1      ILE  29   5.995  -1.634  -0.088
  247   2HG1  ILE  29          1HG1      ILE  29   5.548  -0.881  -1.615
  248   1HG2  ILE  29          1HG2      ILE  29   3.759  -2.387   1.425
  249   2HG2  ILE  29          2HG2      ILE  29   4.885  -3.434   0.563
  250   3HG2  ILE  29          3HG2      ILE  29   3.147  -3.646   0.353
  251   1HD1  ILE  29          1HD1      ILE  29   3.979   0.383   0.309
  252   2HD1  ILE  29          2HD1      ILE  29   5.392   1.035  -0.522
  253   3HD1  ILE  29          3HD1      ILE  29   5.578   0.225   1.034
  254    H    GLU  30           H        GLU  30   1.678  -1.877  -2.958
  255    HA   GLU  30           HA       GLU  30  -0.017  -3.926  -1.874
  256   1HB   GLU  30          2HB       GLU  30  -0.578  -1.436  -2.462
  257   2HB   GLU  30          1HB       GLU  30  -0.860  -2.072  -4.076
  258   1HG   GLU  30          2HG       GLU  30  -2.350  -3.801  -2.769
  259   2HG   GLU  30          1HG       GLU  30  -2.380  -2.515  -1.564
  260    H    ASN  31           H        ASN  31   1.563  -3.254  -4.917
  261    HA   ASN  31           HA       ASN  31   0.144  -5.145  -6.484
  262   1HB   ASN  31          2HB       ASN  31   2.678  -3.586  -6.791
  263   2HB   ASN  31          1HB       ASN  31   2.376  -4.929  -7.887
  264   1HD2  ASN  31          1HD2      ASN  31  -0.205  -4.838  -8.438
  265   2HD2  ASN  31          2HD2      ASN  31  -0.652  -3.334  -9.159
  266    H    GLU  32           H        GLU  32   2.851  -5.368  -4.302
  267    HA   GLU  32           HA       GLU  32   3.669  -7.977  -5.233
  268   1HB   GLU  32          2HB       GLU  32   5.194  -6.253  -4.131
  269   2HB   GLU  32          1HB       GLU  32   4.414  -6.672  -2.613
  270   1HG   GLU  32          2HG       GLU  32   6.160  -8.088  -2.473
  271   2HG   GLU  32          1HG       GLU  32   5.085  -9.121  -3.414
  272    H    ILE  33           H        ILE  33   1.960  -6.617  -2.466
  273    HA   ILE  33           HA       ILE  33   1.434  -9.060  -1.151
  274    HB   ILE  33           HB       ILE  33  -0.085  -6.443  -1.058
  275   1HG1  ILE  33          2HG1      ILE  33   1.924  -7.476   0.935
  276   2HG1  ILE  33          1HG1      ILE  33   2.390  -6.471  -0.433
  277   1HG2  ILE  33          1HG2      ILE  33  -0.073  -8.483   1.138
  278   2HG2  ILE  33          2HG2      ILE  33  -1.238  -8.595  -0.179
  279   3HG2  ILE  33          3HG2      ILE  33  -1.206  -7.166   0.850
  280   1HD1  ILE  33          1HD1      ILE  33   2.164  -5.026   1.406
  281   2HD1  ILE  33          2HD1      ILE  33   0.629  -5.749   1.885
  282   3HD1  ILE  33          3HD1      ILE  33   0.725  -4.775   0.418
  283    H    LYS  34           H        LYS  34  -0.137  -7.321  -3.762
  284    HA   LYS  34           HA       LYS  34  -2.566  -8.814  -3.721
  285   1HB   LYS  34          2HB       LYS  34  -1.298  -6.797  -5.461
  286   2HB   LYS  34          1HB       LYS  34  -2.356  -7.922  -6.300
  287   1HG   LYS  34          2HG       LYS  34  -4.140  -7.358  -4.647
  288   2HG   LYS  34          1HG       LYS  34  -3.073  -6.102  -4.015
  289   1HD   LYS  34          2HD       LYS  34  -2.967  -5.415  -6.569
  290   2HD   LYS  34          1HD       LYS  34  -4.525  -6.243  -6.608
  291   1HE   LYS  34          2HE       LYS  34  -5.485  -4.757  -5.081
  292   2HE   LYS  34          1HE       LYS  34  -3.917  -4.174  -4.526
  293   1HZ   LYS  34          1HZ       LYS  34  -5.084  -3.674  -7.211
  294   2HZ   LYS  34          2HZ       LYS  34  -3.595  -3.094  -6.658
  295   3HZ   LYS  34          3HZ       LYS  34  -5.030  -2.556  -5.941
  296    H    ARG  35           H        ARG  35   0.425  -8.995  -5.616
  297    HA   ARG  35           HA       ARG  35  -0.370 -11.288  -7.110
  298   1HB   ARG  35          2HB       ARG  35   2.058  -9.641  -6.806
  299   2HB   ARG  35          1HB       ARG  35   2.352 -11.320  -7.241
  300   1HG   ARG  35          2HG       ARG  35   0.763 -11.032  -9.139
  301   2HG   ARG  35          1HG       ARG  35   0.688  -9.314  -8.744
  302   1HD   ARG  35          2HD       ARG  35   3.346 -10.606  -9.146
  303   2HD   ARG  35          1HD       ARG  35   2.364 -10.202 -10.554
  304    HE   ARG  35           HE       ARG  35   2.445  -7.943  -8.945
  305   1HH1  ARG  35          1HH1      ARG  35   4.711  -9.898 -10.755
  306   2HH1  ARG  35          2HH1      ARG  35   5.792  -8.579 -11.056
  307   1HH2  ARG  35          1HH2      ARG  35   3.870  -6.218  -9.344
  308   2HH2  ARG  35          2HH2      ARG  35   5.317  -6.494 -10.255
  309    H    ARG  36           H        ARG  36   1.012 -10.786  -3.974
  310    HA   ARG  36           HA       ARG  36   2.033 -13.463  -3.689
  311   1HB   ARG  36          2HB       ARG  36   1.833 -11.044  -1.946
  312   2HB   ARG  36          1HB       ARG  36   2.114 -12.605  -1.195
  313   1HG   ARG  36          2HG       ARG  36   4.148 -12.907  -2.403
  314   2HG   ARG  36          1HG       ARG  36   3.829 -11.483  -3.395
  315   1HD   ARG  36          2HD       ARG  36   4.408 -10.027  -1.739
  316   2HD   ARG  36          1HD       ARG  36   3.898 -11.119  -0.452
  317    HE   ARG  36           HE       ARG  36   6.504 -10.956  -1.666
  318   1HH1  ARG  36          1HH1      ARG  36   4.307 -12.984   0.152
  319   2HH1  ARG  36          2HH1      ARG  36   5.570 -13.965   0.812
  320   1HH2  ARG  36          1HH2      ARG  36   8.156 -12.250  -0.793
  321   2HH2  ARG  36          2HH2      ARG  36   7.753 -13.551   0.277
  322    H    SER  37           H        SER  37  -1.069 -12.448  -3.865
  323    HA   SER  37           HA       SER  37  -3.065 -13.292  -3.183
  324   1HB   SER  37          2HB       SER  37  -1.722 -15.462  -3.701
  325   2HB   SER  37          1HB       SER  37  -1.640 -15.636  -1.948
  326    HG   SER  37           HG       SER  37  -3.870 -15.705  -1.872
  327    H    LEU  38           H        LEU  38  -1.591 -11.531  -1.484
  328    HA   LEU  38           HA       LEU  38  -2.611 -12.348   1.165
  329   1HB   LEU  38          2HB       LEU  38  -0.039 -12.146   0.682
  330   2HB   LEU  38          1HB       LEU  38  -0.350 -10.430   0.852
  331    HG   LEU  38           HG       LEU  38  -1.351 -10.934   3.107
  332   1HD1  LEU  38          1HD1      LEU  38  -1.834 -13.272   2.831
  333   2HD1  LEU  38          2HD1      LEU  38  -0.659 -13.079   4.132
  334   3HD1  LEU  38          3HD1      LEU  38  -0.130 -13.628   2.542
  335   1HD2  LEU  38          1HD2      LEU  38   0.826 -11.165   4.198
  336   2HD2  LEU  38          2HD2      LEU  38   0.889 -10.018   2.861
  337   3HD2  LEU  38          3HD2      LEU  38   1.543 -11.644   2.659
  338    H    GLY  39           H        GLY  39  -3.916 -10.822  -1.027
  339   1HA   GLY  39          2HA       GLY  39  -3.943  -8.056  -0.346
  340   2HA   GLY  39          1HA       GLY  39  -5.123  -8.891  -1.345
  341    H    HIS  40           H        HIS  40  -5.237 -10.707   1.317
  342    HA   HIS  40           HA       HIS  40  -7.551  -9.302   2.314
  343   1HB   HIS  40          2HB       HIS  40  -8.009 -11.263   3.613
  344   2HB   HIS  40          1HB       HIS  40  -7.470 -11.810   2.031
  345    HD1  HIS  40           1HD      HIS  40  -7.276 -13.117   5.097
  346    HD2  HIS  40           2HD      HIS  40  -4.236 -11.849   2.564
  347    HE1  HIS  40           1HE      HIS  40  -5.219 -14.354   5.842
  348    HE2  HIS  40           2HE      HIS  40  -3.374 -13.502   4.354
  349    H    ILE  41           H        ILE  41  -4.252  -9.911   3.244
  350    HA   ILE  41           HA       ILE  41  -4.370  -9.167   5.946
  351    HB   ILE  41           HB       ILE  41  -2.458 -10.261   4.584
  352   1HG1  ILE  41          2HG1      ILE  41  -0.759  -9.424   6.203
  353   2HG1  ILE  41          1HG1      ILE  41  -1.922  -8.207   6.722
  354   1HG2  ILE  41          1HG2      ILE  41  -1.183  -7.598   4.422
  355   2HG2  ILE  41          2HG2      ILE  41  -2.346  -8.016   3.167
  356   3HG2  ILE  41          3HG2      ILE  41  -0.937  -9.037   3.434
  357   1HD1  ILE  41          1HD1      ILE  41  -2.540 -11.137   6.777
  358   2HD1  ILE  41          2HD1      ILE  41  -3.362  -9.824   7.618
  359   3HD1  ILE  41          3HD1      ILE  41  -1.742 -10.311   8.115
  360    H    ILE  42           H        ILE  42  -4.208  -7.341   2.991
  361    HA   ILE  42           HA       ILE  42  -3.741  -4.806   4.295
  362    HB   ILE  42           HB       ILE  42  -4.153  -3.873   1.975
  363   1HG1  ILE  42          2HG1      ILE  42  -4.078  -6.793   1.198
  364   2HG1  ILE  42          1HG1      ILE  42  -5.485  -5.742   1.095
  365   1HG2  ILE  42          1HG2      ILE  42  -1.989  -4.506   1.157
  366   2HG2  ILE  42          2HG2      ILE  42  -1.976  -5.923   2.207
  367   3HG2  ILE  42          3HG2      ILE  42  -1.930  -4.306   2.909
  368   1HD1  ILE  42          1HD1      ILE  42  -3.077  -5.877  -0.612
  369   2HD1  ILE  42          2HD1      ILE  42  -3.820  -4.298  -0.366
  370   3HD1  ILE  42          3HD1      ILE  42  -4.767  -5.622  -1.046
  371    H    SER  43           H        SER  43  -5.216  -3.041   4.264
  372    HA   SER  43           HA       SER  43  -7.921  -3.842   4.754
  373   1HB   SER  43          2HB       SER  43  -6.678  -1.985   5.975
  374   2HB   SER  43          1HB       SER  43  -6.908  -1.004   4.529
  375    HG   SER  43           HG       SER  43  -9.195  -1.408   4.798
  376    H    VAL  44           H        VAL  44  -7.912  -4.746   2.442
  377    HA   VAL  44           HA       VAL  44  -8.966  -2.692   0.612
  378    HB   VAL  44           HB       VAL  44  -7.545  -5.235  -0.185
  379   1HG1  VAL  44          1HG1      VAL  44  -7.391  -3.870  -2.375
  380   2HG1  VAL  44          2HG1      VAL  44  -8.737  -2.951  -1.701
  381   3HG1  VAL  44          3HG1      VAL  44  -8.902  -4.686  -1.976
  382   1HG2  VAL  44          1HG2      VAL  44  -5.934  -3.827   0.852
  383   2HG2  VAL  44          2HG2      VAL  44  -6.543  -2.407   0.006
  384   3HG2  VAL  44          3HG2      VAL  44  -5.720  -3.681  -0.891
  385    H    SER  45           H        SER  45 -10.677  -3.328  -0.780
  386    HA   SER  45           HA       SER  45 -12.160  -5.695   0.164
  387   1HB   SER  45          2HB       SER  45 -14.222  -4.530  -0.254
  388   2HB   SER  45          1HB       SER  45 -13.201  -3.468   0.716
  389    HG   SER  45           HG       SER  45 -14.212  -3.082  -1.764
  390    H    SER  46           H        SER  46 -11.284  -7.075  -1.383
  391    HA   SER  46           HA       SER  46 -11.175  -6.492  -4.150
  392   1HB   SER  46          2HB       SER  46 -11.098  -9.107  -4.274
  393   2HB   SER  46          1HB       SER  46  -9.759  -8.233  -3.531
  394    HG   SER  46           HG       SER  46 -10.385  -9.923  -2.189
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  11.713  -3.106  -4.366
    2   2H    MET   1          2HT       MET   1  10.025  -2.986  -4.080
    3   3H    MET   1          3HT       MET   1  10.620  -4.070  -5.269
    4    HA   MET   1           HA       MET   1  11.208  -4.239  -2.394
    5   1HB   MET   1          2HB       MET   1   8.817  -4.803  -3.794
    6   2HB   MET   1          1HB       MET   1   9.561  -6.358  -3.452
    7   1HG   MET   1          2HG       MET   1   8.410  -6.141  -1.533
    8   2HG   MET   1          1HG       MET   1   9.836  -5.223  -1.053
    9   1HE   MET   1          1HE       MET   1   9.225  -1.799  -1.233
   10   2HE   MET   1          2HE       MET   1  10.101  -3.190  -0.594
   11   3HE   MET   1          3HE       MET   1   8.796  -2.463   0.344
   12    H    ARG   2           H        ARG   2  13.152  -5.169  -2.257
   13    HA   ARG   2           HA       ARG   2  14.153  -6.880  -4.361
   14   1HB   ARG   2          2HB       ARG   2  15.265  -5.583  -1.937
   15   2HB   ARG   2          1HB       ARG   2  16.038  -7.078  -2.446
   16   1HG   ARG   2          2HG       ARG   2  15.957  -5.821  -4.802
   17   2HG   ARG   2          1HG       ARG   2  16.013  -4.420  -3.730
   18   1HD   ARG   2          2HD       ARG   2  17.937  -5.835  -2.589
   19   2HD   ARG   2          1HD       ARG   2  18.038  -6.545  -4.199
   20    HE   ARG   2           HE       ARG   2  18.046  -3.874  -4.675
   21   1HH1  ARG   2          1HH1      ARG   2  19.986  -5.960  -2.644
   22   2HH1  ARG   2          2HH1      ARG   2  21.400  -4.970  -2.771
   23   1HH2  ARG   2          1HH2      ARG   2  19.908  -2.579  -4.837
   24   2HH2  ARG   2          2HH2      ARG   2  21.357  -3.054  -4.014
   25    H    LYS   3           H        LYS   3  13.465  -7.244  -0.884
   26    HA   LYS   3           HA       LYS   3  12.303  -9.780  -1.117
   27   1HB   LYS   3          2HB       LYS   3  14.566 -10.515  -1.725
   28   2HB   LYS   3          1HB       LYS   3  15.195  -9.834  -0.230
   29   1HG   LYS   3          2HG       LYS   3  14.035 -11.439   1.085
   30   2HG   LYS   3          1HG       LYS   3  13.121 -12.009  -0.314
   31   1HD   LYS   3          2HD       LYS   3  14.734 -13.629  -0.211
   32   2HD   LYS   3          1HD       LYS   3  15.540 -12.467  -1.268
   33   1HE   LYS   3          2HE       LYS   3  16.409 -11.497   1.020
   34   2HE   LYS   3          1HE       LYS   3  16.069 -13.132   1.589
   35   1HZ   LYS   3          1HZ       LYS   3  18.382 -12.447   0.528
   36   2HZ   LYS   3          2HZ       LYS   3  17.579 -12.884  -0.894
   37   3HZ   LYS   3          3HZ       LYS   3  17.740 -14.004   0.364
   38    H    LEU   4           H        LEU   4  10.852  -9.177   0.405
   39    HA   LEU   4           HA       LEU   4  11.851  -8.917   3.146
   40   1HB   LEU   4          2HB       LEU   4   9.592  -7.160   2.301
   41   2HB   LEU   4          1HB       LEU   4  10.705  -6.969   3.638
   42    HG   LEU   4           HG       LEU   4  11.500  -6.598   0.750
   43   1HD1  LEU   4          1HD1      LEU   4   9.717  -5.002   1.690
   44   2HD1  LEU   4          2HD1      LEU   4  11.153  -4.307   0.937
   45   3HD1  LEU   4          3HD1      LEU   4  11.021  -4.371   2.695
   46   1HD2  LEU   4          1HD2      LEU   4  12.963  -5.282   2.933
   47   2HD2  LEU   4          2HD2      LEU   4  13.564  -6.093   1.487
   48   3HD2  LEU   4          3HD2      LEU   4  13.092  -7.040   2.899
   49    H    SER   5           H        SER   5  10.489  -9.715   4.722
   50    HA   SER   5           HA       SER   5   8.645 -11.719   3.929
   51   1HB   SER   5          2HB       SER   5   8.894 -10.516   6.688
   52   2HB   SER   5          1HB       SER   5   8.324 -12.131   6.265
   53    HG   SER   5           HG       SER   5  10.513 -12.439   5.382
   54    H    ASP   6           H        ASP   6   6.371 -11.823   4.769
   55    HA   ASP   6           HA       ASP   6   4.853  -9.712   3.718
   56   1HB   ASP   6          2HB       ASP   6   3.599 -11.404   5.842
   57   2HB   ASP   6          1HB       ASP   6   2.949 -10.869   4.303
   58    H    GLU   7           H        GLU   7   6.289 -10.147   6.834
   59    HA   GLU   7           HA       GLU   7   4.635  -8.247   8.194
   60   1HB   GLU   7          2HB       GLU   7   6.802 -10.030   8.867
   61   2HB   GLU   7          1HB       GLU   7   7.101  -8.438   9.549
   62   1HG   GLU   7          2HG       GLU   7   4.593  -8.668  10.312
   63   2HG   GLU   7          1HG       GLU   7   4.943 -10.388  10.145
   64    H    LEU   8           H        LEU   8   7.707  -8.175   6.513
   65    HA   LEU   8           HA       LEU   8   8.201  -5.406   7.159
   66   1HB   LEU   8          2HB       LEU   8   9.599  -7.504   5.579
   67   2HB   LEU   8          1HB       LEU   8   9.990  -5.821   5.275
   68    HG   LEU   8           HG       LEU   8  11.517  -6.906   6.885
   69   1HD1  LEU   8          1HD1      LEU   8  11.109  -4.471   6.895
   70   2HD1  LEU   8          2HD1      LEU   8  11.546  -5.110   8.480
   71   3HD1  LEU   8          3HD1      LEU   8   9.864  -4.718   8.120
   72   1HD2  LEU   8          1HD2      LEU   8   9.860  -8.402   7.925
   73   2HD2  LEU   8          2HD2      LEU   8   9.108  -7.001   8.689
   74   3HD2  LEU   8          3HD2      LEU   8  10.758  -7.458   9.113
   75    H    LEU   9           H        LEU   9   6.881  -7.274   4.521
   76    HA   LEU   9           HA       LEU   9   6.821  -5.116   2.645
   77   1HB   LEU   9          2HB       LEU   9   6.906  -7.387   1.837
   78   2HB   LEU   9          1HB       LEU   9   5.438  -7.795   2.704
   79    HG   LEU   9           HG       LEU   9   4.313  -6.011   1.201
   80   1HD1  LEU   9          1HD1      LEU   9   5.414  -5.863  -1.035
   81   2HD1  LEU   9          2HD1      LEU   9   6.868  -6.544  -0.302
   82   3HD1  LEU   9          3HD1      LEU   9   6.246  -4.989   0.251
   83   1HD2  LEU   9          1HD2      LEU   9   4.089  -7.721  -0.639
   84   2HD2  LEU   9          2HD2      LEU   9   3.720  -8.296   0.986
   85   3HD2  LEU   9          3HD2      LEU   9   5.264  -8.700   0.237
   86    H    ILE  10           H        ILE  10   4.457  -6.645   4.783
   87    HA   ILE  10           HA       ILE  10   2.307  -5.000   3.940
   88    HB   ILE  10           HB       ILE  10   2.643  -6.690   6.413
   89   1HG1  ILE  10          2HG1      ILE  10   0.844  -7.175   4.054
   90   2HG1  ILE  10          1HG1      ILE  10   2.534  -7.668   4.027
   91   1HG2  ILE  10          1HG2      ILE  10   0.157  -5.303   5.403
   92   2HG2  ILE  10          2HG2      ILE  10   1.027  -4.928   6.891
   93   3HG2  ILE  10          3HG2      ILE  10   0.213  -6.482   6.714
   94   1HD1  ILE  10          1HD1      ILE  10   2.172  -9.399   5.381
   95   2HD1  ILE  10          2HD1      ILE  10   0.498  -9.201   4.879
   96   3HD1  ILE  10          3HD1      ILE  10   1.046  -8.504   6.398
   97    H    GLU  11           H        GLU  11   4.689  -4.786   6.521
   98    HA   GLU  11           HA       GLU  11   3.552  -2.615   7.904
   99   1HB   GLU  11          2HB       GLU  11   6.211  -3.895   7.762
  100   2HB   GLU  11          1HB       GLU  11   6.209  -2.225   8.295
  101   1HG   GLU  11          2HG       GLU  11   6.111  -3.895  10.131
  102   2HG   GLU  11          1HG       GLU  11   4.792  -2.727  10.136
  103    H    SER  12           H        SER  12   5.344  -2.833   4.925
  104    HA   SER  12           HA       SER  12   6.049  -0.065   4.770
  105   1HB   SER  12          2HB       SER  12   5.832  -2.193   2.621
  106   2HB   SER  12          1HB       SER  12   6.495  -0.578   2.364
  107    HG   SER  12           HG       SER  12   8.215  -1.069   3.591
  108    H    TYR  13           H        TYR  13   3.473  -2.071   3.389
  109    HA   TYR  13           HA       TYR  13   2.157   0.003   1.994
  110   1HB   TYR  13          2HB       TYR  13   1.772  -2.428   1.605
  111   2HB   TYR  13          1HB       TYR  13   0.949  -2.518   3.155
  112    HD1  TYR  13           1HD      TYR  13  -1.352  -2.302   3.197
  113    HD2  TYR  13           2HD      TYR  13   0.811  -0.609  -0.053
  114    HE1  TYR  13           1HE      TYR  13  -3.472  -1.685   2.116
  115    HE2  TYR  13           2HE      TYR  13  -1.303   0.015  -1.143
  116    HH   TYR  13           HH       TYR  13  -3.880  -1.055  -0.912
  117    H    PHE  14           H        PHE  14   1.898  -1.261   5.258
  118    HA   PHE  14           HA       PHE  14  -0.364   0.309   5.997
  119   1HB   PHE  14          2HB       PHE  14   1.675  -1.224   7.589
  120   2HB   PHE  14          1HB       PHE  14   0.339  -0.375   8.340
  121    HD1  PHE  14           1HD      PHE  14  -0.912  -1.555   5.307
  122    HD2  PHE  14           2HD      PHE  14   0.291  -2.941   9.152
  123    HE1  PHE  14           1HE      PHE  14  -2.311  -3.552   5.023
  124    HE2  PHE  14           2HE      PHE  14  -1.111  -4.941   8.868
  125    HZ   PHE  14           HZ       PHE  14  -2.413  -5.256   6.800
  126    H    LYS  15           H        LYS  15   3.127   0.621   6.450
  127    HA   LYS  15           HA       LYS  15   3.049   2.967   8.017
  128   1HB   LYS  15          2HB       LYS  15   5.144   1.594   6.380
  129   2HB   LYS  15          1HB       LYS  15   5.454   3.212   6.988
  130   1HG   LYS  15          2HG       LYS  15   4.982   2.391   9.279
  131   2HG   LYS  15          1HG       LYS  15   4.829   0.762   8.621
  132   1HD   LYS  15          2HD       LYS  15   7.285   2.157   7.831
  133   2HD   LYS  15          1HD       LYS  15   7.142   1.867   9.565
  134   1HE   LYS  15          2HE       LYS  15   6.783  -0.503   9.161
  135   2HE   LYS  15          1HE       LYS  15   6.847  -0.232   7.419
  136   1HZ   LYS  15          1HZ       LYS  15   8.945  -1.003   8.799
  137   2HZ   LYS  15          2HZ       LYS  15   9.133   0.666   8.996
  138   3HZ   LYS  15          3HZ       LYS  15   9.086  -0.002   7.443
  139    H    ALA  16           H        ALA  16   3.509   2.447   4.539
  140    HA   ALA  16           HA       ALA  16   3.781   5.156   3.846
  141   1HB   ALA  16          1HB       ALA  16   3.042   2.706   2.289
  142   2HB   ALA  16          2HB       ALA  16   4.542   3.634   2.252
  143   3HB   ALA  16          3HB       ALA  16   3.074   4.299   1.536
  144    H    THR  17           H        THR  17   0.942   3.130   4.267
  145    HA   THR  17           HA       THR  17  -0.884   4.918   3.036
  146    HB   THR  17           HB       THR  17  -2.590   3.634   4.454
  147    HG1  THR  17           1HG      THR  17  -0.989   2.980   6.030
  148   1HG2  THR  17          1HG2      THR  17  -0.964   2.662   2.255
  149   2HG2  THR  17          2HG2      THR  17  -2.708   2.578   2.506
  150   3HG2  THR  17          3HG2      THR  17  -1.653   1.368   3.235
  151    H    GLU  18           H        GLU  18   0.462   4.647   6.251
  152    HA   GLU  18           HA       GLU  18  -1.363   6.504   7.444
  153   1HB   GLU  18          2HB       GLU  18   0.922   4.886   8.308
  154   2HB   GLU  18          1HB       GLU  18   0.804   6.438   9.127
  155   1HG   GLU  18          2HG       GLU  18  -0.356   4.838  10.437
  156   2HG   GLU  18          1HG       GLU  18  -1.559   5.882   9.682
  157    H    MET  19           H        MET  19   2.017   6.681   6.395
  158    HA   MET  19           HA       MET  19   2.205   9.483   6.992
  159   1HB   MET  19          2HB       MET  19   4.451   9.317   6.166
  160   2HB   MET  19          1HB       MET  19   4.122   7.920   7.172
  161   1HG   MET  19          2HG       MET  19   3.904   6.513   5.271
  162   2HG   MET  19          1HG       MET  19   3.949   7.889   4.174
  163   1HE   MET  19          1HE       MET  19   5.670   5.066   4.432
  164   2HE   MET  19          2HE       MET  19   6.039   5.257   6.144
  165   3HE   MET  19          3HE       MET  19   7.338   5.294   4.952
  166    H    ASN  20           H        ASN  20   1.041   7.686   4.347
  167    HA   ASN  20           HA       ASN  20   0.143   8.335   2.359
  168   1HB   ASN  20          2HB       ASN  20   1.055  11.157   2.896
  169   2HB   ASN  20          1HB       ASN  20  -0.238  10.622   1.830
  170   1HD2  ASN  20          1HD2      ASN  20  -1.889   9.187   3.102
  171   2HD2  ASN  20          2HD2      ASN  20  -2.464   9.898   4.568
  172    H    LEU  21           H        LEU  21   2.748   7.340   2.649
  173    HA   LEU  21           HA       LEU  21   4.782   8.655   1.301
  174   1HB   LEU  21          2HB       LEU  21   4.669   6.349   2.548
  175   2HB   LEU  21          1HB       LEU  21   4.358   5.712   0.948
  176    HG   LEU  21           HG       LEU  21   6.752   7.443   1.413
  177   1HD1  LEU  21          1HD1      LEU  21   6.276   4.790   2.554
  178   2HD1  LEU  21          2HD1      LEU  21   7.461   6.023   2.986
  179   3HD1  LEU  21          3HD1      LEU  21   7.773   4.936   1.634
  180   1HD2  LEU  21          1HD2      LEU  21   7.252   5.230  -0.273
  181   2HD2  LEU  21          2HD2      LEU  21   7.102   6.926  -0.725
  182   3HD2  LEU  21          3HD2      LEU  21   5.682   5.883  -0.739
  183    H    ASN  22           H        ASN  22   5.622   8.255  -0.897
  184    HA   ASN  22           HA       ASN  22   4.030   9.024  -2.939
  185   1HB   ASN  22          2HB       ASN  22   6.584   8.571  -2.874
  186   2HB   ASN  22          1HB       ASN  22   6.156   6.977  -3.489
  187   1HD2  ASN  22          1HD2      ASN  22   7.470   9.566  -4.553
  188   2HD2  ASN  22          2HD2      ASN  22   6.734   9.759  -6.103
  189    H    ARG  23           H        ARG  23   2.527   8.215  -4.267
  190    HA   ARG  23           HA       ARG  23   1.099   5.921  -3.674
  191   1HB   ARG  23          2HB       ARG  23   0.499   7.961  -5.164
  192   2HB   ARG  23          1HB       ARG  23   1.186   7.003  -6.468
  193   1HG   ARG  23          2HG       ARG  23  -1.070   6.515  -6.586
  194   2HG   ARG  23          1HG       ARG  23  -0.419   5.156  -5.667
  195   1HD   ARG  23          2HD       ARG  23  -2.326   5.773  -4.475
  196   2HD   ARG  23          1HD       ARG  23  -1.008   6.538  -3.588
  197    HE   ARG  23           HE       ARG  23  -1.950   8.553  -4.061
  198   1HH1  ARG  23          1HH1      ARG  23  -3.099   6.256  -6.438
  199   2HH1  ARG  23          2HH1      ARG  23  -4.171   7.390  -7.189
  200   1HH2  ARG  23          1HH2      ARG  23  -3.360  10.033  -5.054
  201   2HH2  ARG  23          2HH2      ARG  23  -4.319   9.530  -6.406
  202    H    ASP  24           H        ASP  24   3.924   6.275  -5.682
  203    HA   ASP  24           HA       ASP  24   3.650   3.851  -7.107
  204   1HB   ASP  24          2HB       ASP  24   5.900   5.742  -6.564
  205   2HB   ASP  24          1HB       ASP  24   6.282   4.150  -7.212
  206    H    PHE  25           H        PHE  25   5.041   4.644  -3.986
  207    HA   PHE  25           HA       PHE  25   6.229   2.071  -3.580
  208   1HB   PHE  25          2HB       PHE  25   6.772   4.370  -2.428
  209   2HB   PHE  25          1HB       PHE  25   5.480   3.908  -1.326
  210    HD1  PHE  25           1HD      PHE  25   6.516   3.396   0.673
  211    HD2  PHE  25           2HD      PHE  25   8.098   1.818  -2.949
  212    HE1  PHE  25           1HE      PHE  25   8.106   2.032   1.964
  213    HE2  PHE  25           2HE      PHE  25   9.688   0.451  -1.665
  214    HZ   PHE  25           HZ       PHE  25   9.694   0.557   0.796
  215    H    ILE  26           H        ILE  26   3.275   3.712  -2.581
  216    HA   ILE  26           HA       ILE  26   2.220   1.661  -0.971
  217    HB   ILE  26           HB       ILE  26   0.825   3.827  -2.555
  218   1HG1  ILE  26          2HG1      ILE  26   1.606   3.624   0.361
  219   2HG1  ILE  26          1HG1      ILE  26   2.342   4.675  -0.845
  220   1HG2  ILE  26          1HG2      ILE  26  -1.063   3.419  -0.905
  221   2HG2  ILE  26          2HG2      ILE  26  -0.269   1.892  -0.520
  222   3HG2  ILE  26          3HG2      ILE  26  -0.847   2.197  -2.158
  223   1HD1  ILE  26          1HD1      ILE  26   0.306   5.335   0.885
  224   2HD1  ILE  26          2HD1      ILE  26  -0.522   5.071  -0.650
  225   3HD1  ILE  26          3HD1      ILE  26   0.795   6.239  -0.547
  226    H    GLU  27           H        GLU  27   1.810   2.412  -4.423
  227    HA   GLU  27           HA       GLU  27   0.067   0.215  -4.913
  228   1HB   GLU  27          2HB       GLU  27   0.702   2.451  -6.311
  229   2HB   GLU  27          1HB       GLU  27   1.671   1.261  -7.165
  230   1HG   GLU  27          2HG       GLU  27  -0.196   0.998  -8.374
  231   2HG   GLU  27          1HG       GLU  27  -0.668  -0.054  -7.040
  232    H    LEU  28           H        LEU  28   3.517   0.697  -4.984
  233    HA   LEU  28           HA       LEU  28   4.190  -1.678  -6.370
  234   1HB   LEU  28          2HB       LEU  28   5.872  -0.065  -6.336
  235   2HB   LEU  28          1HB       LEU  28   5.643   0.286  -4.638
  236    HG   LEU  28           HG       LEU  28   6.753  -2.376  -5.429
  237   1HD1  LEU  28          1HD1      LEU  28   8.648  -0.150  -4.932
  238   2HD1  LEU  28          2HD1      LEU  28   7.916  -0.258  -6.533
  239   3HD1  LEU  28          3HD1      LEU  28   8.845  -1.614  -5.895
  240   1HD2  LEU  28          1HD2      LEU  28   8.082  -1.752  -3.277
  241   2HD2  LEU  28          2HD2      LEU  28   6.405  -2.282  -3.147
  242   3HD2  LEU  28          3HD2      LEU  28   6.796  -0.565  -3.053
  243    H    ILE  29           H        ILE  29   3.995  -0.868  -2.918
  244    HA   ILE  29           HA       ILE  29   4.700  -3.473  -2.024
  245    HB   ILE  29           HB       ILE  29   3.125  -1.375  -0.522
  246   1HG1  ILE  29          2HG1      ILE  29   6.050  -1.780  -0.114
  247   2HG1  ILE  29          1HG1      ILE  29   5.540  -0.882  -1.539
  248   1HG2  ILE  29          1HG2      ILE  29   3.763  -2.502   1.458
  249   2HG2  ILE  29          2HG2      ILE  29   4.893  -3.540   0.588
  250   3HG2  ILE  29          3HG2      ILE  29   3.156  -3.739   0.357
  251   1HD1  ILE  29          1HD1      ILE  29   6.075   0.541   0.407
  252   2HD1  ILE  29          2HD1      ILE  29   4.732  -0.202   1.275
  253   3HD1  ILE  29          3HD1      ILE  29   4.425   0.745  -0.180
  254    H    GLU  30           H        GLU  30   1.714  -1.888  -2.910
  255    HA   GLU  30           HA       GLU  30   0.007  -3.953  -1.874
  256   1HB   GLU  30          2HB       GLU  30  -0.554  -1.455  -2.364
  257   2HB   GLU  30          1HB       GLU  30  -0.816  -2.010  -4.011
  258   1HG   GLU  30          2HG       GLU  30  -2.330  -3.795  -2.822
  259   2HG   GLU  30          1HG       GLU  30  -2.367  -2.582  -1.543
  260    H    ASN  31           H        ASN  31   1.575  -3.211  -4.909
  261    HA   ASN  31           HA       ASN  31   0.125  -5.045  -6.514
  262   1HB   ASN  31          2HB       ASN  31   2.673  -3.508  -6.798
  263   2HB   ASN  31          1HB       ASN  31   2.356  -4.822  -7.925
  264   1HD2  ASN  31          1HD2      ASN  31   2.591  -2.445  -9.017
  265   2HD2  ASN  31          2HD2      ASN  31   1.061  -1.793  -9.486
  266    H    GLU  32           H        GLU  32   2.869  -5.350  -4.386
  267    HA   GLU  32           HA       GLU  32   3.608  -7.962  -5.372
  268   1HB   GLU  32          2HB       GLU  32   5.290  -6.439  -4.382
  269   2HB   GLU  32          1HB       GLU  32   4.447  -6.526  -2.841
  270   1HG   GLU  32          2HG       GLU  32   6.424  -7.967  -2.911
  271   2HG   GLU  32          1HG       GLU  32   4.937  -8.881  -2.659
  272    H    ILE  33           H        ILE  33   1.996  -6.603  -2.547
  273    HA   ILE  33           HA       ILE  33   1.451  -9.038  -1.235
  274    HB   ILE  33           HB       ILE  33  -0.036  -6.402  -1.123
  275   1HG1  ILE  33          2HG1      ILE  33   1.920  -7.433   0.914
  276   2HG1  ILE  33          1HG1      ILE  33   2.473  -6.549  -0.503
  277   1HG2  ILE  33          1HG2      ILE  33  -1.031  -8.719  -0.167
  278   2HG2  ILE  33          2HG2      ILE  33  -1.317  -7.155   0.587
  279   3HG2  ILE  33          3HG2      ILE  33  -0.055  -8.215   1.209
  280   1HD1  ILE  33          1HD1      ILE  33   0.512  -5.517   1.531
  281   2HD1  ILE  33          2HD1      ILE  33   1.154  -4.628   0.150
  282   3HD1  ILE  33          3HD1      ILE  33   2.226  -5.114   1.463
  283    H    LYS  34           H        LYS  34  -0.143  -7.276  -3.818
  284    HA   LYS  34           HA       LYS  34  -2.589  -8.731  -3.744
  285   1HB   LYS  34          2HB       LYS  34  -1.305  -6.747  -5.505
  286   2HB   LYS  34          1HB       LYS  34  -2.383  -7.860  -6.335
  287   1HG   LYS  34          2HG       LYS  34  -4.133  -7.267  -4.628
  288   2HG   LYS  34          1HG       LYS  34  -3.048  -5.987  -4.082
  289   1HD   LYS  34          2HD       LYS  34  -3.030  -5.429  -6.681
  290   2HD   LYS  34          1HD       LYS  34  -4.604  -6.224  -6.600
  291   1HE   LYS  34          2HE       LYS  34  -5.292  -4.682  -4.832
  292   2HE   LYS  34          1HE       LYS  34  -3.716  -3.895  -4.900
  293   1HZ   LYS  34          1HZ       LYS  34  -5.228  -4.079  -7.391
  294   2HZ   LYS  34          2HZ       LYS  34  -4.222  -2.843  -6.826
  295   3HZ   LYS  34          3HZ       LYS  34  -5.796  -2.991  -6.224
  296    H    ARG  35           H        ARG  35   0.355  -8.990  -5.722
  297    HA   ARG  35           HA       ARG  35  -0.536 -11.288  -7.155
  298   1HB   ARG  35          2HB       ARG  35   1.476  -9.502  -7.520
  299   2HB   ARG  35          1HB       ARG  35   2.376 -10.865  -6.869
  300   1HG   ARG  35          2HG       ARG  35   0.446 -11.465  -9.024
  301   2HG   ARG  35          1HG       ARG  35   1.882 -10.541  -9.472
  302   1HD   ARG  35          2HD       ARG  35   3.251 -12.307  -8.325
  303   2HD   ARG  35          1HD       ARG  35   1.772 -13.254  -8.166
  304    HE   ARG  35           HE       ARG  35   2.160 -12.478 -10.858
  305   1HH1  ARG  35          1HH1      ARG  35   3.384 -14.710  -8.457
  306   2HH1  ARG  35          2HH1      ARG  35   3.901 -15.874  -9.629
  307   1HH2  ARG  35          1HH2      ARG  35   2.843 -14.014 -12.390
  308   2HH2  ARG  35          2HH2      ARG  35   3.596 -15.480 -11.857
  309    H    ARG  36           H        ARG  36   0.959 -10.781  -4.073
  310    HA   ARG  36           HA       ARG  36   1.941 -13.471  -3.798
  311   1HB   ARG  36          2HB       ARG  36   1.848 -11.031  -2.085
  312   2HB   ARG  36          1HB       ARG  36   2.098 -12.586  -1.308
  313   1HG   ARG  36          2HG       ARG  36   4.008 -12.947  -2.917
  314   2HG   ARG  36          1HG       ARG  36   3.824 -11.252  -3.372
  315   1HD   ARG  36          2HD       ARG  36   4.576 -10.485  -1.349
  316   2HD   ARG  36          1HD       ARG  36   4.040 -11.924  -0.483
  317    HE   ARG  36           HE       ARG  36   6.188 -12.435  -2.315
  318   1HH1  ARG  36          1HH1      ARG  36   5.410 -11.361   0.923
  319   2HH1  ARG  36          2HH1      ARG  36   6.952 -11.807   1.570
  320   1HH2  ARG  36          1HH2      ARG  36   8.210 -13.017  -1.456
  321   2HH2  ARG  36          2HH2      ARG  36   8.540 -12.745   0.222
  322    H    SER  37           H        SER  37  -1.153 -12.406  -3.876
  323    HA   SER  37           HA       SER  37  -3.135 -13.236  -3.139
  324   1HB   SER  37          2HB       SER  37  -1.835 -15.422  -3.672
  325   2HB   SER  37          1HB       SER  37  -1.690 -15.579  -1.922
  326    HG   SER  37           HG       SER  37  -3.944 -15.761  -3.553
  327    H    LEU  38           H        LEU  38  -1.629 -11.461  -1.502
  328    HA   LEU  38           HA       LEU  38  -2.577 -12.243   1.186
  329   1HB   LEU  38          2HB       LEU  38  -0.018 -12.037   0.633
  330   2HB   LEU  38          1HB       LEU  38  -0.332 -10.320   0.784
  331    HG   LEU  38           HG       LEU  38  -1.307 -10.847   3.077
  332   1HD1  LEU  38          1HD1      LEU  38  -0.052 -12.996   3.953
  333   2HD1  LEU  38          2HD1      LEU  38  -0.239 -13.499   2.273
  334   3HD1  LEU  38          3HD1      LEU  38  -1.660 -13.094   3.236
  335   1HD2  LEU  38          1HD2      LEU  38   0.957 -10.985   4.095
  336   2HD2  LEU  38          2HD2      LEU  38   0.814  -9.747   2.847
  337   3HD2  LEU  38          3HD2      LEU  38   1.616 -11.276   2.485
  338    H    GLY  39           H        GLY  39  -3.928 -10.754  -1.017
  339   1HA   GLY  39          2HA       GLY  39  -3.967  -7.978  -0.352
  340   2HA   GLY  39          1HA       GLY  39  -5.132  -8.824  -1.360
  341    H    HIS  40           H        HIS  40  -5.219 -10.623   1.331
  342    HA   HIS  40           HA       HIS  40  -7.567  -9.241   2.312
  343   1HB   HIS  40          2HB       HIS  40  -7.749 -11.247   3.829
  344   2HB   HIS  40          1HB       HIS  40  -7.770 -11.628   2.110
  345    HD1  HIS  40           1HD      HIS  40  -6.355 -13.561   1.536
  346    HD2  HIS  40           2HD      HIS  40  -4.903 -11.531   4.858
  347    HE1  HIS  40           1HE      HIS  40  -4.332 -14.853   2.282
  348    HE2  HIS  40           2HE      HIS  40  -3.516 -13.652   4.340
  349    H    ILE  41           H        ILE  41  -4.271  -9.888   3.251
  350    HA   ILE  41           HA       ILE  41  -4.402  -9.183   5.961
  351    HB   ILE  41           HB       ILE  41  -2.479 -10.262   4.575
  352   1HG1  ILE  41          2HG1      ILE  41  -0.830  -9.601   6.261
  353   2HG1  ILE  41          1HG1      ILE  41  -1.859  -8.257   6.746
  354   1HG2  ILE  41          1HG2      ILE  41  -0.908  -8.989   3.526
  355   2HG2  ILE  41          2HG2      ILE  41  -1.227  -7.573   4.524
  356   3HG2  ILE  41          3HG2      ILE  41  -2.332  -8.000   3.220
  357   1HD1  ILE  41          1HD1      ILE  41  -3.450  -9.676   7.684
  358   2HD1  ILE  41          2HD1      ILE  41  -1.904 -10.390   8.145
  359   3HD1  ILE  41          3HD1      ILE  41  -2.835 -11.084   6.817
  360    H    ILE  42           H        ILE  42  -4.195  -7.311   3.037
  361    HA   ILE  42           HA       ILE  42  -3.687  -4.804   4.355
  362    HB   ILE  42           HB       ILE  42  -4.165  -3.838   2.057
  363   1HG1  ILE  42          2HG1      ILE  42  -4.122  -6.747   1.241
  364   2HG1  ILE  42          1HG1      ILE  42  -5.538  -5.700   1.213
  365   1HG2  ILE  42          1HG2      ILE  42  -1.991  -5.895   2.273
  366   2HG2  ILE  42          2HG2      ILE  42  -1.919  -4.239   2.877
  367   3HG2  ILE  42          3HG2      ILE  42  -2.034  -4.542   1.143
  368   1HD1  ILE  42          1HD1      ILE  42  -3.204  -5.801  -0.596
  369   2HD1  ILE  42          2HD1      ILE  42  -3.929  -4.224  -0.285
  370   3HD1  ILE  42          3HD1      ILE  42  -4.910  -5.529  -0.951
  371    H    SER  43           H        SER  43  -5.125  -2.980   4.288
  372    HA   SER  43           HA       SER  43  -7.827  -3.720   4.914
  373   1HB   SER  43          2HB       SER  43  -6.971  -1.966   6.252
  374   2HB   SER  43          1HB       SER  43  -6.339  -1.097   4.854
  375    HG   SER  43           HG       SER  43  -8.407  -0.360   5.884
  376    H    VAL  44           H        VAL  44  -7.891  -4.651   2.603
  377    HA   VAL  44           HA       VAL  44  -8.988  -2.605   0.791
  378    HB   VAL  44           HB       VAL  44  -7.601  -5.165  -0.015
  379   1HG1  VAL  44          1HG1      VAL  44  -8.402  -2.803  -1.700
  380   2HG1  VAL  44          2HG1      VAL  44  -9.316  -4.308  -1.588
  381   3HG1  VAL  44          3HG1      VAL  44  -7.683  -4.314  -2.254
  382   1HG2  VAL  44          1HG2      VAL  44  -5.944  -3.757   0.916
  383   2HG2  VAL  44          2HG2      VAL  44  -6.607  -2.333   0.117
  384   3HG2  VAL  44          3HG2      VAL  44  -5.821  -3.592  -0.835
  385    H    SER  45           H        SER  45 -10.852  -3.121  -0.357
  386    HA   SER  45           HA       SER  45 -12.336  -5.416   0.715
  387   1HB   SER  45          2HB       SER  45 -13.120  -2.829   0.584
  388   2HB   SER  45          1HB       SER  45 -13.744  -3.414  -0.958
  389    HG   SER  45           HG       SER  45 -15.204  -3.637   0.861
  390    H    SER  46           H        SER  46 -11.471  -7.021  -0.601
  391    HA   SER  46           HA       SER  46 -12.426  -6.943  -3.379
  392   1HB   SER  46          2HB       SER  46 -10.011  -6.480  -3.409
  393   2HB   SER  46          1HB       SER  46  -9.713  -7.959  -2.496
  394    HG   SER  46           HG       SER  46 -10.147  -7.624  -5.159
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  11.296  -3.033  -4.305
    2   2H    MET   1          2HT       MET   1   9.675  -2.886  -3.763
    3   3H    MET   1          3HT       MET   1  10.070  -4.014  -4.994
    4    HA   MET   1           HA       MET   1  11.108  -4.096  -2.245
    5   1HB   MET   1          2HB       MET   1   8.534  -4.793  -3.337
    6   2HB   MET   1          1HB       MET   1   9.348  -6.248  -2.781
    7   1HG   MET   1          2HG       MET   1   8.384  -5.691  -0.834
    8   2HG   MET   1          1HG       MET   1   9.810  -4.666  -0.677
    9   1HE   MET   1          1HE       MET   1   9.185  -2.861   0.766
   10   2HE   MET   1          2HE       MET   1   8.277  -1.462   0.193
   11   3HE   MET   1          3HE       MET   1   9.721  -1.992  -0.672
   12    H    ARG   2           H        ARG   2  12.954  -5.193  -2.245
   13    HA   ARG   2           HA       ARG   2  13.690  -6.865  -4.484
   14   1HB   ARG   2          2HB       ARG   2  15.179  -5.264  -2.997
   15   2HB   ARG   2          1HB       ARG   2  15.336  -6.702  -1.997
   16   1HG   ARG   2          2HG       ARG   2  15.804  -7.591  -4.594
   17   2HG   ARG   2          1HG       ARG   2  16.630  -6.035  -4.490
   18   1HD   ARG   2          2HD       ARG   2  17.739  -6.816  -2.416
   19   2HD   ARG   2          1HD       ARG   2  16.978  -8.390  -2.636
   20    HE   ARG   2           HE       ARG   2  18.513  -7.513  -4.904
   21   1HH1  ARG   2          1HH1      ARG   2  18.643  -9.190  -1.836
   22   2HH1  ARG   2          2HH1      ARG   2  20.065 -10.086  -2.251
   23   1HH2  ARG   2          1HH2      ARG   2  20.379  -8.694  -5.440
   24   2HH2  ARG   2          2HH2      ARG   2  21.050  -9.805  -4.294
   25    H    LYS   3           H        LYS   3  13.275  -7.340  -0.974
   26    HA   LYS   3           HA       LYS   3  11.993  -9.815  -1.209
   27   1HB   LYS   3          2HB       LYS   3  14.657 -10.106  -1.796
   28   2HB   LYS   3          1HB       LYS   3  14.623 -10.483  -0.079
   29   1HG   LYS   3          2HG       LYS   3  12.778 -12.112  -0.581
   30   2HG   LYS   3          1HG       LYS   3  13.110 -11.840  -2.293
   31   1HD   LYS   3          2HD       LYS   3  15.600 -12.349  -1.425
   32   2HD   LYS   3          1HD       LYS   3  14.680 -13.301  -0.257
   33   1HE   LYS   3          2HE       LYS   3  13.834 -14.712  -1.870
   34   2HE   LYS   3          1HE       LYS   3  14.021 -13.521  -3.157
   35   1HZ   LYS   3          1HZ       LYS   3  15.729 -14.921  -3.642
   36   2HZ   LYS   3          2HZ       LYS   3  15.993 -15.368  -2.032
   37   3HZ   LYS   3          3HZ       LYS   3  16.544 -13.871  -2.594
   38    H    LEU   4           H        LEU   4  10.706  -9.000   0.411
   39    HA   LEU   4           HA       LEU   4  11.918  -8.983   3.090
   40   1HB   LEU   4          2HB       LEU   4   9.686  -7.095   2.489
   41   2HB   LEU   4          1HB       LEU   4  10.914  -7.003   3.736
   42    HG   LEU   4           HG       LEU   4  11.464  -6.545   0.804
   43   1HD1  LEU   4          1HD1      LEU   4  10.026  -4.791   1.434
   44   2HD1  LEU   4          2HD1      LEU   4  11.659  -4.135   1.559
   45   3HD1  LEU   4          3HD1      LEU   4  10.792  -4.624   3.014
   46   1HD2  LEU   4          1HD2      LEU   4  13.103  -6.652   3.243
   47   2HD2  LEU   4          2HD2      LEU   4  13.404  -5.267   2.194
   48   3HD2  LEU   4          3HD2      LEU   4  13.553  -6.904   1.557
   49    H    SER   5           H        SER   5  10.625  -9.768   4.744
   50    HA   SER   5           HA       SER   5   8.727 -11.727   4.091
   51   1HB   SER   5          2HB       SER   5   9.197 -10.330   6.733
   52   2HB   SER   5          1HB       SER   5   8.261 -11.809   6.522
   53    HG   SER   5           HG       SER   5  10.385 -12.294   7.136
   54    H    ASP   6           H        ASP   6   6.449 -11.796   4.824
   55    HA   ASP   6           HA       ASP   6   4.949  -9.721   3.687
   56   1HB   ASP   6          2HB       ASP   6   3.677 -11.384   5.830
   57   2HB   ASP   6          1HB       ASP   6   3.030 -10.861   4.286
   58    H    GLU   7           H        GLU   7   6.269 -10.092   6.868
   59    HA   GLU   7           HA       GLU   7   4.590  -8.158   8.136
   60   1HB   GLU   7          2HB       GLU   7   6.808  -9.877   8.883
   61   2HB   GLU   7          1HB       GLU   7   6.988  -8.272   9.576
   62   1HG   GLU   7          2HG       GLU   7   4.604  -8.514  10.398
   63   2HG   GLU   7          1HG       GLU   7   4.734 -10.215   9.954
   64    H    LEU   8           H        LEU   8   7.657  -8.107   6.466
   65    HA   LEU   8           HA       LEU   8   8.186  -5.341   7.083
   66   1HB   LEU   8          2HB       LEU   8   9.525  -7.455   5.473
   67   2HB   LEU   8          1HB       LEU   8   9.929  -5.777   5.160
   68    HG   LEU   8           HG       LEU   8  11.478  -6.884   6.734
   69   1HD1  LEU   8          1HD1      LEU   8  11.683  -4.672   7.103
   70   2HD1  LEU   8          2HD1      LEU   8  10.933  -5.085   8.645
   71   3HD1  LEU   8          3HD1      LEU   8   9.949  -4.442   7.331
   72   1HD2  LEU   8          1HD2      LEU   8  10.811  -7.534   8.914
   73   2HD2  LEU   8          2HD2      LEU   8   9.697  -8.312   7.788
   74   3HD2  LEU   8          3HD2      LEU   8   9.190  -6.879   8.682
   75    H    LEU   9           H        LEU   9   6.858  -7.207   4.431
   76    HA   LEU   9           HA       LEU   9   6.762  -5.028   2.585
   77   1HB   LEU   9          2HB       LEU   9   6.857  -7.296   1.758
   78   2HB   LEU   9          1HB       LEU   9   5.385  -7.710   2.615
   79    HG   LEU   9           HG       LEU   9   4.275  -5.898   1.124
   80   1HD1  LEU   9          1HD1      LEU   9   5.353  -5.110  -0.696
   81   2HD1  LEU   9          2HD1      LEU   9   6.298  -6.583  -0.910
   82   3HD1  LEU   9          3HD1      LEU   9   6.777  -5.396   0.304
   83   1HD2  LEU   9          1HD2      LEU   9   5.205  -8.587   0.142
   84   2HD2  LEU   9          2HD2      LEU   9   4.032  -7.593  -0.722
   85   3HD2  LEU   9          3HD2      LEU   9   3.665  -8.179   0.900
   86    H    ILE  10           H        ILE  10   4.406  -6.603   4.703
   87    HA   ILE  10           HA       ILE  10   2.253  -4.948   3.891
   88    HB   ILE  10           HB       ILE  10   2.570  -6.623   6.377
   89   1HG1  ILE  10          2HG1      ILE  10   0.865  -7.220   3.978
   90   2HG1  ILE  10          1HG1      ILE  10   2.575  -7.642   3.996
   91   1HG2  ILE  10          1HG2      ILE  10   0.091  -5.331   5.235
   92   2HG2  ILE  10          2HG2      ILE  10   0.890  -4.892   6.745
   93   3HG2  ILE  10          3HG2      ILE  10   0.126  -6.473   6.578
   94   1HD1  ILE  10          1HD1      ILE  10   1.120  -8.492   6.368
   95   2HD1  ILE  10          2HD1      ILE  10   2.244  -9.377   5.339
   96   3HD1  ILE  10          3HD1      ILE  10   0.558  -9.218   4.868
   97    H    GLU  11           H        GLU  11   4.679  -4.751   6.409
   98    HA   GLU  11           HA       GLU  11   3.540  -2.637   7.882
   99   1HB   GLU  11          2HB       GLU  11   6.242  -3.827   7.610
  100   2HB   GLU  11          1HB       GLU  11   6.165  -2.204   8.267
  101   1HG   GLU  11          2HG       GLU  11   4.549  -4.485   9.361
  102   2HG   GLU  11          1HG       GLU  11   6.166  -4.085   9.939
  103    H    SER  12           H        SER  12   5.282  -2.751   4.869
  104    HA   SER  12           HA       SER  12   5.913   0.044   4.790
  105   1HB   SER  12          2HB       SER  12   6.843  -2.070   3.397
  106   2HB   SER  12          1HB       SER  12   5.646  -1.476   2.246
  107    HG   SER  12           HG       SER  12   6.711   0.648   2.631
  108    H    TYR  13           H        TYR  13   3.402  -2.020   3.374
  109    HA   TYR  13           HA       TYR  13   2.035   0.036   1.999
  110   1HB   TYR  13          2HB       TYR  13   1.708  -2.404   1.587
  111   2HB   TYR  13          1HB       TYR  13   0.882  -2.524   3.133
  112    HD1  TYR  13           1HD      TYR  13   0.716  -0.578  -0.052
  113    HD2  TYR  13           2HD      TYR  13  -1.422  -2.366   3.163
  114    HE1  TYR  13           1HE      TYR  13  -1.406   0.014  -1.143
  115    HE2  TYR  13           2HE      TYR  13  -3.551  -1.780   2.080
  116    HH   TYR  13           HH       TYR  13  -4.415  -0.194   0.455
  117    H    PHE  14           H        PHE  14   1.827  -1.272   5.249
  118    HA   PHE  14           HA       PHE  14  -0.470   0.239   6.016
  119   1HB   PHE  14          2HB       PHE  14   1.609  -1.290   7.560
  120   2HB   PHE  14          1HB       PHE  14   0.292  -0.451   8.354
  121    HD1  PHE  14           1HD      PHE  14  -0.072  -2.802   9.292
  122    HD2  PHE  14           2HD      PHE  14  -0.694  -1.820   5.195
  123    HE1  PHE  14           1HE      PHE  14  -1.479  -4.804   9.025
  124    HE2  PHE  14           2HE      PHE  14  -2.102  -3.816   4.928
  125    HZ   PHE  14           HZ       PHE  14  -2.494  -5.316   6.839
  126    H    LYS  15           H        LYS  15   3.012   0.569   6.554
  127    HA   LYS  15           HA       LYS  15   2.877   2.941   8.079
  128   1HB   LYS  15          2HB       LYS  15   5.056   1.619   6.482
  129   2HB   LYS  15          1HB       LYS  15   5.316   3.175   7.247
  130   1HG   LYS  15          2HG       LYS  15   4.448   0.698   8.719
  131   2HG   LYS  15          1HG       LYS  15   6.120   1.241   8.574
  132   1HD   LYS  15          2HD       LYS  15   5.741   2.385  10.460
  133   2HD   LYS  15          1HD       LYS  15   4.822   3.502   9.449
  134   1HE   LYS  15          2HE       LYS  15   2.774   2.505  10.022
  135   2HE   LYS  15          1HE       LYS  15   3.559   1.063  10.663
  136   1HZ   LYS  15          1HZ       LYS  15   4.335   2.277  12.531
  137   2HZ   LYS  15          2HZ       LYS  15   2.689   2.629  12.371
  138   3HZ   LYS  15          3HZ       LYS  15   3.845   3.756  11.872
  139    H    ALA  16           H        ALA  16   3.406   2.333   4.634
  140    HA   ALA  16           HA       ALA  16   3.786   5.004   3.866
  141   1HB   ALA  16          1HB       ALA  16   2.849   2.600   2.318
  142   2HB   ALA  16          2HB       ALA  16   4.473   3.284   2.382
  143   3HB   ALA  16          3HB       ALA  16   3.176   4.167   1.577
  144    H    THR  17           H        THR  17   0.855   3.095   4.287
  145    HA   THR  17           HA       THR  17  -0.873   4.964   3.021
  146    HB   THR  17           HB       THR  17  -2.663   3.746   4.372
  147    HG1  THR  17           1HG      THR  17  -1.057   3.057   5.989
  148   1HG2  THR  17          1HG2      THR  17  -2.659   2.787   2.343
  149   2HG2  THR  17          2HG2      THR  17  -1.939   1.441   3.225
  150   3HG2  THR  17          3HG2      THR  17  -0.911   2.559   2.330
  151    H    GLU  18           H        GLU  18   0.402   4.609   6.257
  152    HA   GLU  18           HA       GLU  18  -1.363   6.517   7.449
  153   1HB   GLU  18          2HB       GLU  18   0.821   4.789   8.312
  154   2HB   GLU  18          1HB       GLU  18   0.843   6.355   9.112
  155   1HG   GLU  18          2HG       GLU  18  -0.517   5.286  10.552
  156   2HG   GLU  18          1HG       GLU  18  -1.745   5.787   9.389
  157    H    MET  19           H        MET  19   2.003   6.610   6.357
  158    HA   MET  19           HA       MET  19   2.261   9.405   6.996
  159   1HB   MET  19          2HB       MET  19   4.511   9.192   6.210
  160   2HB   MET  19          1HB       MET  19   4.137   7.791   7.194
  161   1HG   MET  19          2HG       MET  19   3.883   6.424   5.246
  162   2HG   MET  19          1HG       MET  19   4.054   7.821   4.190
  163   1HE   MET  19          1HE       MET  19   5.710   4.903   4.363
  164   2HE   MET  19          2HE       MET  19   5.782   5.019   6.121
  165   3HE   MET  19          3HE       MET  19   7.270   5.033   5.175
  166    H    ASN  20           H        ASN  20   1.107   7.634   4.323
  167    HA   ASN  20           HA       ASN  20   0.253   8.310   2.324
  168   1HB   ASN  20          2HB       ASN  20   1.214  11.111   2.869
  169   2HB   ASN  20          1HB       ASN  20  -0.093  10.601   1.808
  170   1HD2  ASN  20          1HD2      ASN  20   0.617  11.928   4.732
  171   2HD2  ASN  20          2HD2      ASN  20  -0.862  11.602   5.562
  172    H    LEU  21           H        LEU  21   2.781   7.216   2.600
  173    HA   LEU  21           HA       LEU  21   4.894   8.502   1.332
  174   1HB   LEU  21          2HB       LEU  21   4.675   6.169   2.526
  175   2HB   LEU  21          1HB       LEU  21   4.390   5.584   0.900
  176    HG   LEU  21           HG       LEU  21   6.823   7.224   1.492
  177   1HD1  LEU  21          1HD1      LEU  21   6.231   4.525   2.478
  178   2HD1  LEU  21          2HD1      LEU  21   7.413   5.710   3.033
  179   3HD1  LEU  21          3HD1      LEU  21   7.772   4.695   1.637
  180   1HD2  LEU  21          1HD2      LEU  21   7.305   5.074  -0.276
  181   2HD2  LEU  21          2HD2      LEU  21   7.209   6.793  -0.656
  182   3HD2  LEU  21          3HD2      LEU  21   5.764   5.788  -0.753
  183    H    ASN  22           H        ASN  22   5.759   8.148  -0.851
  184    HA   ASN  22           HA       ASN  22   4.228   8.996  -2.908
  185   1HB   ASN  22          2HB       ASN  22   6.699   8.695  -2.963
  186   2HB   ASN  22          1HB       ASN  22   6.451   6.972  -3.225
  187   1HD2  ASN  22          1HD2      ASN  22   7.146   6.674  -5.237
  188   2HD2  ASN  22          2HD2      ASN  22   6.561   7.513  -6.629
  189    H    ARG  23           H        ARG  23   2.703   8.261  -4.236
  190    HA   ARG  23           HA       ARG  23   1.198   6.012  -3.752
  191   1HB   ARG  23          2HB       ARG  23   0.510   7.966  -5.127
  192   2HB   ARG  23          1HB       ARG  23   1.521   7.362  -6.432
  193   1HG   ARG  23          2HG       ARG  23  -0.525   5.535  -5.298
  194   2HG   ARG  23          1HG       ARG  23  -1.067   6.865  -6.324
  195   1HD   ARG  23          2HD       ARG  23   1.070   5.824  -7.720
  196   2HD   ARG  23          1HD       ARG  23   0.305   4.392  -7.031
  197    HE   ARG  23           HE       ARG  23  -1.474   4.702  -8.437
  198   1HH1  ARG  23          1HH1      ARG  23   0.443   7.629  -8.404
  199   2HH1  ARG  23          2HH1      ARG  23  -0.431   8.359  -9.708
  200   1HH2  ARG  23          1HH2      ARG  23  -2.615   5.668 -10.150
  201   2HH2  ARG  23          2HH2      ARG  23  -2.165   7.248 -10.697
  202    H    ASP  24           H        ASP  24   4.043   6.293  -5.777
  203    HA   ASP  24           HA       ASP  24   3.716   3.867  -7.167
  204   1HB   ASP  24          2HB       ASP  24   5.456   5.925  -7.386
  205   2HB   ASP  24          1HB       ASP  24   6.485   4.742  -6.585
  206    H    PHE  25           H        PHE  25   5.151   4.623  -4.051
  207    HA   PHE  25           HA       PHE  25   6.264   2.012  -3.671
  208   1HB   PHE  25          2HB       PHE  25   6.897   4.282  -2.512
  209   2HB   PHE  25          1HB       PHE  25   5.605   3.856  -1.395
  210    HD1  PHE  25           1HD      PHE  25   6.627   3.256   0.590
  211    HD2  PHE  25           2HD      PHE  25   8.146   1.722  -3.079
  212    HE1  PHE  25           1HE      PHE  25   8.184   1.819   1.839
  213    HE2  PHE  25           2HE      PHE  25   9.704   0.280  -1.835
  214    HZ   PHE  25           HZ       PHE  25   9.725   0.328   0.627
  215    H    ILE  26           H        ILE  26   3.371   3.734  -2.618
  216    HA   ILE  26           HA       ILE  26   2.281   1.705  -1.009
  217    HB   ILE  26           HB       ILE  26   0.933   3.919  -2.567
  218   1HG1  ILE  26          2HG1      ILE  26   1.706   3.648   0.346
  219   2HG1  ILE  26          1HG1      ILE  26   2.467   4.701  -0.841
  220   1HG2  ILE  26          1HG2      ILE  26  -0.246   2.143  -0.423
  221   2HG2  ILE  26          2HG2      ILE  26  -0.690   2.147  -2.129
  222   3HG2  ILE  26          3HG2      ILE  26  -1.030   3.557  -1.128
  223   1HD1  ILE  26          1HD1      ILE  26  -0.394   4.924   0.066
  224   2HD1  ILE  26          2HD1      ILE  26   0.468   6.033  -1.002
  225   3HD1  ILE  26          3HD1      ILE  26   0.946   5.886   0.690
  226    H    GLU  27           H        GLU  27   1.845   2.468  -4.459
  227    HA   GLU  27           HA       GLU  27   0.045   0.309  -4.920
  228   1HB   GLU  27          2HB       GLU  27   0.769   2.530  -6.338
  229   2HB   GLU  27          1HB       GLU  27   1.619   1.270  -7.220
  230   1HG   GLU  27          2HG       GLU  27  -0.694   0.061  -7.144
  231   2HG   GLU  27          1HG       GLU  27  -1.307   1.689  -6.860
  232    H    LEU  28           H        LEU  28   3.506   0.712  -5.036
  233    HA   LEU  28           HA       LEU  28   4.105  -1.697  -6.406
  234   1HB   LEU  28          2HB       LEU  28   5.821  -0.117  -6.423
  235   2HB   LEU  28          1HB       LEU  28   5.636   0.253  -4.723
  236    HG   LEU  28           HG       LEU  28   6.667  -2.441  -5.525
  237   1HD1  LEU  28          1HD1      LEU  28   8.053   0.170  -5.813
  238   2HD1  LEU  28          2HD1      LEU  28   8.232  -1.317  -6.746
  239   3HD1  LEU  28          3HD1      LEU  28   8.968  -1.183  -5.148
  240   1HD2  LEU  28          1HD2      LEU  28   6.373  -2.364  -3.244
  241   2HD2  LEU  28          2HD2      LEU  28   6.750  -0.643  -3.145
  242   3HD2  LEU  28          3HD2      LEU  28   8.043  -1.817  -3.387
  243    H    ILE  29           H        ILE  29   3.964  -0.826  -2.967
  244    HA   ILE  29           HA       ILE  29   4.647  -3.415  -2.022
  245    HB   ILE  29           HB       ILE  29   3.068  -1.293  -0.561
  246   1HG1  ILE  29          2HG1      ILE  29   5.963  -1.628  -0.049
  247   2HG1  ILE  29          1HG1      ILE  29   5.538  -0.890  -1.589
  248   1HG2  ILE  29          1HG2      ILE  29   3.067  -3.592   0.397
  249   2HG2  ILE  29          2HG2      ILE  29   3.785  -2.370   1.446
  250   3HG2  ILE  29          3HG2      ILE  29   4.820  -3.477   0.543
  251   1HD1  ILE  29          1HD1      ILE  29   5.465   0.215   1.083
  252   2HD1  ILE  29          2HD1      ILE  29   3.942   0.436   0.221
  253   3HD1  ILE  29          3HD1      ILE  29   5.446   1.028  -0.482
  254    H    GLU  30           H        GLU  30   1.666  -1.828  -2.923
  255    HA   GLU  30           HA       GLU  30  -0.054  -3.861  -1.852
  256   1HB   GLU  30          2HB       GLU  30  -0.576  -1.357  -2.396
  257   2HB   GLU  30          1HB       GLU  30  -0.879  -1.958  -4.020
  258   1HG   GLU  30          2HG       GLU  30  -2.404  -3.676  -2.770
  259   2HG   GLU  30          1HG       GLU  30  -2.379  -2.453  -1.500
  260    H    ASN  31           H        ASN  31   1.512  -3.191  -4.903
  261    HA   ASN  31           HA       ASN  31   0.035  -5.044  -6.467
  262   1HB   ASN  31          2HB       ASN  31   2.583  -3.517  -6.807
  263   2HB   ASN  31          1HB       ASN  31   2.246  -4.847  -7.909
  264   1HD2  ASN  31          1HD2      ASN  31  -0.338  -4.720  -8.425
  265   2HD2  ASN  31          2HD2      ASN  31  -0.780  -3.203  -9.123
  266    H    GLU  32           H        GLU  32   2.790  -5.325  -4.352
  267    HA   GLU  32           HA       GLU  32   3.533  -7.943  -5.319
  268   1HB   GLU  32          2HB       GLU  32   5.115  -6.244  -4.243
  269   2HB   GLU  32          1HB       GLU  32   4.382  -6.690  -2.709
  270   1HG   GLU  32          2HG       GLU  32   5.995  -8.220  -2.599
  271   2HG   GLU  32          1HG       GLU  32   5.013  -9.126  -3.750
  272    H    ILE  33           H        ILE  33   1.922  -6.564  -2.506
  273    HA   ILE  33           HA       ILE  33   1.397  -8.986  -1.161
  274    HB   ILE  33           HB       ILE  33  -0.116  -6.362  -1.087
  275   1HG1  ILE  33          2HG1      ILE  33   1.855  -7.332   0.962
  276   2HG1  ILE  33          1HG1      ILE  33   2.399  -6.473  -0.475
  277   1HG2  ILE  33          1HG2      ILE  33  -1.202  -7.048   0.861
  278   2HG2  ILE  33          2HG2      ILE  33  -0.085  -8.386   1.127
  279   3HG2  ILE  33          3HG2      ILE  33  -1.277  -8.478  -0.167
  280   1HD1  ILE  33          1HD1      ILE  33   2.145  -5.000   1.461
  281   2HD1  ILE  33          2HD1      ILE  33   0.434  -5.416   1.544
  282   3HD1  ILE  33          3HD1      ILE  33   1.064  -4.550   0.143
  283    H    LYS  34           H        LYS  34  -0.214  -7.265  -3.762
  284    HA   LYS  34           HA       LYS  34  -2.635  -8.770  -3.676
  285   1HB   LYS  34          2HB       LYS  34  -1.419  -6.724  -5.409
  286   2HB   LYS  34          1HB       LYS  34  -2.471  -7.852  -6.253
  287   1HG   LYS  34          2HG       LYS  34  -4.267  -7.332  -4.646
  288   2HG   LYS  34          1HG       LYS  34  -3.208  -6.141  -3.889
  289   1HD   LYS  34          2HD       LYS  34  -3.471  -5.855  -6.797
  290   2HD   LYS  34          1HD       LYS  34  -4.973  -5.616  -5.904
  291   1HE   LYS  34          2HE       LYS  34  -3.596  -4.074  -4.387
  292   2HE   LYS  34          1HE       LYS  34  -2.387  -4.110  -5.669
  293   1HZ   LYS  34          1HZ       LYS  34  -3.639  -2.828  -7.003
  294   2HZ   LYS  34          2HZ       LYS  34  -4.370  -2.339  -5.558
  295   3HZ   LYS  34          3HZ       LYS  34  -5.101  -3.526  -6.516
  296    H    ARG  35           H        ARG  35   0.278  -8.907  -5.708
  297    HA   ARG  35           HA       ARG  35  -0.551 -11.206  -7.162
  298   1HB   ARG  35          2HB       ARG  35   1.145  -9.596  -7.987
  299   2HB   ARG  35          1HB       ARG  35   2.245 -10.141  -6.728
  300   1HG   ARG  35          2HG       ARG  35   3.010 -11.423  -8.425
  301   2HG   ARG  35          1HG       ARG  35   1.736 -12.497  -7.843
  302   1HD   ARG  35          2HD       ARG  35   0.412 -10.837  -9.604
  303   2HD   ARG  35          1HD       ARG  35   1.978 -11.080 -10.376
  304    HE   ARG  35           HE       ARG  35   0.763 -13.509  -9.439
  305   1HH1  ARG  35          1HH1      ARG  35   0.952 -11.254 -12.108
  306   2HH1  ARG  35          2HH1      ARG  35   0.450 -12.421 -13.284
  307   1HH2  ARG  35          1HH2      ARG  35   0.102 -15.033 -10.989
  308   2HH2  ARG  35          2HH2      ARG  35  -0.033 -14.562 -12.651
  309    H    ARG  36           H        ARG  36   0.937 -10.712  -4.075
  310    HA   ARG  36           HA       ARG  36   1.971 -13.391  -3.848
  311   1HB   ARG  36          2HB       ARG  36   1.882 -10.966  -2.114
  312   2HB   ARG  36          1HB       ARG  36   2.165 -12.525  -1.355
  313   1HG   ARG  36          2HG       ARG  36   3.994 -12.780  -3.188
  314   2HG   ARG  36          1HG       ARG  36   3.866 -11.023  -3.289
  315   1HD   ARG  36          2HD       ARG  36   4.471 -10.763  -1.008
  316   2HD   ARG  36          1HD       ARG  36   4.304 -12.491  -0.699
  317    HE   ARG  36           HE       ARG  36   6.278 -11.862  -2.689
  318   1HH1  ARG  36          1HH1      ARG  36   5.705 -12.218   0.744
  319   2HH1  ARG  36          2HH1      ARG  36   7.365 -12.550   1.107
  320   1HH2  ARG  36          1HH2      ARG  36   8.454 -12.299  -2.202
  321   2HH2  ARG  36          2HH2      ARG  36   8.924 -12.594  -0.561
  322    H    SER  37           H        SER  37  -1.131 -12.412  -3.902
  323    HA   SER  37           HA       SER  37  -3.091 -13.262  -3.125
  324   1HB   SER  37          2HB       SER  37  -2.022 -15.419  -3.770
  325   2HB   SER  37          1HB       SER  37  -1.384 -15.560  -2.132
  326    HG   SER  37           HG       SER  37  -3.266 -16.691  -2.142
  327    H    LEU  38           H        LEU  38  -1.591 -11.470  -1.496
  328    HA   LEU  38           HA       LEU  38  -2.489 -12.292   1.196
  329   1HB   LEU  38          2HB       LEU  38   0.057 -12.040   0.616
  330   2HB   LEU  38          1HB       LEU  38  -0.282 -10.328   0.778
  331    HG   LEU  38           HG       LEU  38  -1.222 -10.882   3.081
  332   1HD1  LEU  38          1HD1      LEU  38  -0.173 -13.513   2.229
  333   2HD1  LEU  38          2HD1      LEU  38  -1.524 -13.118   3.292
  334   3HD1  LEU  38          3HD1      LEU  38   0.130 -13.026   3.896
  335   1HD2  LEU  38          1HD2      LEU  38   0.871  -9.741   2.845
  336   2HD2  LEU  38          2HD2      LEU  38   1.699 -11.246   2.446
  337   3HD2  LEU  38          3HD2      LEU  38   1.059 -10.995   4.070
  338    H    GLY  39           H        GLY  39  -3.846 -10.753  -1.012
  339   1HA   GLY  39          2HA       GLY  39  -3.924  -8.005  -0.277
  340   2HA   GLY  39          1HA       GLY  39  -5.094  -8.844  -1.286
  341    H    HIS  40           H        HIS  40  -5.180 -10.721   1.320
  342    HA   HIS  40           HA       HIS  40  -7.518  -9.393   2.365
  343   1HB   HIS  40          2HB       HIS  40  -7.687 -11.410   3.827
  344   2HB   HIS  40          1HB       HIS  40  -7.600 -11.806   2.114
  345    HD1  HIS  40           1HD      HIS  40  -5.901 -13.504   1.488
  346    HD2  HIS  40           2HD      HIS  40  -5.066 -11.744   5.158
  347    HE1  HIS  40           1HE      HIS  40  -3.909 -14.744   2.391
  348    HE2  HIS  40           2HE      HIS  40  -3.363 -13.598   4.566
  349    H    ILE  41           H        ILE  41  -4.201  -9.989   3.287
  350    HA   ILE  41           HA       ILE  41  -4.328  -9.299   6.000
  351    HB   ILE  41           HB       ILE  41  -2.388 -10.317   4.596
  352   1HG1  ILE  41          2HG1      ILE  41  -0.743  -9.610   6.279
  353   2HG1  ILE  41          1HG1      ILE  41  -1.822  -8.312   6.782
  354   1HG2  ILE  41          1HG2      ILE  41  -0.863  -9.005   3.538
  355   2HG2  ILE  41          2HG2      ILE  41  -1.192  -7.605   4.556
  356   3HG2  ILE  41          3HG2      ILE  41  -2.306  -8.036   3.260
  357   1HD1  ILE  41          1HD1      ILE  41  -1.717 -10.628   8.036
  358   2HD1  ILE  41          2HD1      ILE  41  -2.879 -11.079   6.788
  359   3HD1  ILE  41          3HD1      ILE  41  -3.226  -9.730   7.870
  360    H    ILE  42           H        ILE  42  -4.182  -7.403   3.090
  361    HA   ILE  42           HA       ILE  42  -3.812  -4.880   4.456
  362    HB   ILE  42           HB       ILE  42  -4.135  -3.903   2.155
  363   1HG1  ILE  42          2HG1      ILE  42  -4.138  -6.809   1.315
  364   2HG1  ILE  42          1HG1      ILE  42  -5.483  -5.686   1.159
  365   1HG2  ILE  42          1HG2      ILE  42  -1.972  -4.685   1.293
  366   2HG2  ILE  42          2HG2      ILE  42  -1.989  -5.980   2.492
  367   3HG2  ILE  42          3HG2      ILE  42  -1.924  -4.295   3.012
  368   1HD1  ILE  42          1HD1      ILE  42  -4.516  -5.835  -0.968
  369   2HD1  ILE  42          2HD1      ILE  42  -2.879  -5.706  -0.324
  370   3HD1  ILE  42          3HD1      ILE  42  -3.947  -4.301  -0.308
  371    H    SER  43           H        SER  43  -5.410  -3.074   3.530
  372    HA   SER  43           HA       SER  43  -8.057  -3.907   4.405
  373   1HB   SER  43          2HB       SER  43  -7.326  -1.861   5.388
  374   2HB   SER  43          1HB       SER  43  -6.827  -1.208   3.828
  375    HG   SER  43           HG       SER  43  -8.786  -0.528   3.531
  376    H    VAL  44           H        VAL  44  -7.656  -5.191   2.164
  377    HA   VAL  44           HA       VAL  44  -9.104  -3.686   0.092
  378    HB   VAL  44           HB       VAL  44  -7.049  -5.864  -0.315
  379   1HG1  VAL  44          1HG1      VAL  44  -8.555  -4.161  -2.287
  380   2HG1  VAL  44          2HG1      VAL  44  -8.667  -5.910  -2.086
  381   3HG1  VAL  44          3HG1      VAL  44  -7.177  -5.184  -2.691
  382   1HG2  VAL  44          1HG2      VAL  44  -5.957  -3.891   0.450
  383   2HG2  VAL  44          2HG2      VAL  44  -6.886  -2.883  -0.659
  384   3HG2  VAL  44          3HG2      VAL  44  -5.695  -4.021  -1.289
  385    H    SER  45           H        SER  45 -10.722  -4.764  -1.035
  386    HA   SER  45           HA       SER  45 -11.572  -7.320   0.158
  387   1HB   SER  45          2HB       SER  45 -13.104  -4.967  -0.892
  388   2HB   SER  45          1HB       SER  45 -13.842  -6.567  -0.932
  389    HG   SER  45           HG       SER  45 -14.154  -6.434   1.136
  390    H    SER  46           H        SER  46 -10.376  -8.634  -1.224
  391    HA   SER  46           HA       SER  46 -10.401  -8.393  -4.047
  392   1HB   SER  46          2HB       SER  46  -8.616  -9.608  -2.935
  393   2HB   SER  46          1HB       SER  46  -9.771 -10.767  -2.278
  394    HG   SER  46           HG       SER  46  -9.241 -11.823  -4.033
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  11.208  -4.013  -0.938
    2   2H    MET   1          2HT       MET   1  12.772  -4.503  -1.450
    3   3H    MET   1          3HT       MET   1  11.617  -5.678  -0.969
    4    HA   MET   1           HA       MET   1  10.197  -4.799  -2.814
    5   1HB   MET   1          2HB       MET   1  12.786  -3.378  -3.195
    6   2HB   MET   1          1HB       MET   1  11.958  -3.949  -4.637
    7   1HG   MET   1          2HG       MET   1  11.224  -1.756  -4.357
    8   2HG   MET   1          1HG       MET   1   9.905  -2.749  -3.739
    9   1HE   MET   1          1HE       MET   1   9.498  -2.063  -0.224
   10   2HE   MET   1          2HE       MET   1   9.070  -2.913  -1.708
   11   3HE   MET   1          3HE       MET   1   8.696  -1.199  -1.535
   12    H    ARG   2           H        ARG   2  13.442  -6.108  -2.458
   13    HA   ARG   2           HA       ARG   2  13.243  -7.862  -4.717
   14   1HB   ARG   2          2HB       ARG   2  15.173  -7.740  -2.399
   15   2HB   ARG   2          1HB       ARG   2  15.311  -8.901  -3.713
   16   1HG   ARG   2          2HG       ARG   2  15.265  -6.798  -5.233
   17   2HG   ARG   2          1HG       ARG   2  15.707  -5.943  -3.753
   18   1HD   ARG   2          2HD       ARG   2  17.784  -6.429  -4.593
   19   2HD   ARG   2          1HD       ARG   2  17.510  -7.840  -3.573
   20    HE   ARG   2           HE       ARG   2  16.559  -8.354  -6.174
   21   1HH1  ARG   2          1HH1      ARG   2  19.568  -7.977  -4.428
   22   2HH1  ARG   2          2HH1      ARG   2  20.460  -8.997  -5.504
   23   1HH2  ARG   2          1HH2      ARG   2  17.740  -9.692  -7.583
   24   2HH2  ARG   2          2HH2      ARG   2  19.424  -9.969  -7.293
   25    H    LYS   3           H        LYS   3  13.153  -8.355  -1.188
   26    HA   LYS   3           HA       LYS   3  11.149 -10.347  -1.353
   27   1HB   LYS   3          2HB       LYS   3  12.596 -12.237  -0.479
   28   2HB   LYS   3          1HB       LYS   3  12.790 -11.837  -2.181
   29   1HG   LYS   3          2HG       LYS   3  14.705 -10.280  -1.136
   30   2HG   LYS   3          1HG       LYS   3  14.687 -11.578   0.059
   31   1HD   LYS   3          2HD       LYS   3  14.897 -13.209  -1.818
   32   2HD   LYS   3          1HD       LYS   3  15.100 -11.843  -2.916
   33   1HE   LYS   3          2HE       LYS   3  17.168 -11.285  -2.048
   34   2HE   LYS   3          1HE       LYS   3  16.850 -12.080  -0.507
   35   1HZ   LYS   3          1HZ       LYS   3  18.443 -13.162  -2.223
   36   2HZ   LYS   3          2HZ       LYS   3  17.016 -13.699  -2.954
   37   3HZ   LYS   3          3HZ       LYS   3  17.362 -14.132  -1.356
   38    H    LEU   4           H        LEU   4  10.167  -9.245   0.289
   39    HA   LEU   4           HA       LEU   4  11.550  -9.265   2.896
   40   1HB   LEU   4          2HB       LEU   4   9.285  -7.402   2.310
   41   2HB   LEU   4          1HB       LEU   4  10.572  -7.243   3.488
   42    HG   LEU   4           HG       LEU   4  10.803  -6.835   0.506
   43   1HD1  LEU   4          1HD1      LEU   4  11.482  -4.530   1.289
   44   2HD1  LEU   4          2HD1      LEU   4  10.861  -4.986   2.875
   45   3HD1  LEU   4          3HD1      LEU   4   9.780  -4.948   1.483
   46   1HD2  LEU   4          1HD2      LEU   4  12.834  -7.279   2.601
   47   2HD2  LEU   4          2HD2      LEU   4  13.135  -5.939   1.494
   48   3HD2  LEU   4          3HD2      LEU   4  12.910  -7.570   0.864
   49    H    SER   5           H        SER   5  10.362  -9.877   4.716
   50    HA   SER   5           HA       SER   5   8.439 -11.890   4.363
   51   1HB   SER   5          2HB       SER   5   8.502 -10.407   6.945
   52   2HB   SER   5          1HB       SER   5   8.509 -12.145   6.645
   53    HG   SER   5           HG       SER   5  10.589 -12.083   6.817
   54    H    ASP   6           H        ASP   6   6.199 -11.895   5.165
   55    HA   ASP   6           HA       ASP   6   4.654  -9.895   3.956
   56   1HB   ASP   6          2HB       ASP   6   3.400 -11.333   6.248
   57   2HB   ASP   6          1HB       ASP   6   2.775 -11.011   4.644
   58    H    GLU   7           H        GLU   7   6.077 -10.082   7.110
   59    HA   GLU   7           HA       GLU   7   4.478  -7.998   8.255
   60   1HB   GLU   7          2HB       GLU   7   6.546  -9.811   9.140
   61   2HB   GLU   7          1HB       GLU   7   6.892  -8.179   9.694
   62   1HG   GLU   7          2HG       GLU   7   5.135  -8.136  11.107
   63   2HG   GLU   7          1HG       GLU   7   4.121  -9.121  10.054
   64    H    LEU   8           H        LEU   8   7.522  -8.226   6.571
   65    HA   LEU   8           HA       LEU   8   8.263  -5.487   7.047
   66   1HB   LEU   8          2HB       LEU   8   9.378  -7.758   5.483
   67   2HB   LEU   8          1HB       LEU   8   9.898  -6.130   5.086
   68    HG   LEU   8           HG       LEU   8  11.392  -7.343   6.668
   69   1HD1  LEU   8          1HD1      LEU   8  11.757  -5.456   8.118
   70   2HD1  LEU   8          2HD1      LEU   8  10.130  -4.857   7.793
   71   3HD1  LEU   8          3HD1      LEU   8  11.332  -4.889   6.503
   72   1HD2  LEU   8          1HD2      LEU   8  10.767  -7.947   8.797
   73   2HD2  LEU   8          2HD2      LEU   8   9.308  -8.328   7.884
   74   3HD2  LEU   8          3HD2      LEU   8   9.396  -6.838   8.821
   75    H    LEU   9           H        LEU   9   6.796  -7.345   4.445
   76    HA   LEU   9           HA       LEU   9   6.775  -5.181   2.578
   77   1HB   LEU   9          2HB       LEU   9   6.793  -7.477   1.798
   78   2HB   LEU   9          1HB       LEU   9   5.282  -7.799   2.624
   79    HG   LEU   9           HG       LEU   9   4.207  -6.086   1.109
   80   1HD1  LEU   9          1HD1      LEU   9   6.480  -5.093   0.499
   81   2HD1  LEU   9          2HD1      LEU   9   5.309  -5.309  -0.803
   82   3HD1  LEU   9          3HD1      LEU   9   6.637  -6.454  -0.613
   83   1HD2  LEU   9          1HD2      LEU   9   5.422  -8.596  -0.033
   84   2HD2  LEU   9          2HD2      LEU   9   4.181  -7.646  -0.851
   85   3HD2  LEU   9          3HD2      LEU   9   3.829  -8.406   0.702
   86    H    ILE  10           H        ILE  10   4.367  -6.655   4.710
   87    HA   ILE  10           HA       ILE  10   2.271  -4.944   3.867
   88    HB   ILE  10           HB       ILE  10   2.523  -6.604   6.370
   89   1HG1  ILE  10          2HG1      ILE  10   0.825  -7.142   3.944
   90   2HG1  ILE  10          1HG1      ILE  10   2.505  -7.667   4.023
   91   1HG2  ILE  10          1HG2      ILE  10   0.020  -6.389   6.436
   92   2HG2  ILE  10          2HG2      ILE  10   0.168  -5.102   5.239
   93   3HG2  ILE  10          3HG2      ILE  10   0.903  -4.914   6.831
   94   1HD1  ILE  10          1HD1      ILE  10   0.398  -9.135   4.820
   95   2HD1  ILE  10          2HD1      ILE  10   0.878  -8.390   6.341
   96   3HD1  ILE  10          3HD1      ILE  10   2.040  -9.340   5.417
   97    H    GLU  11           H        GLU  11   4.723  -4.758   6.355
   98    HA   GLU  11           HA       GLU  11   3.639  -2.603   7.814
   99   1HB   GLU  11          2HB       GLU  11   6.330  -3.819   7.512
  100   2HB   GLU  11          1HB       GLU  11   6.260  -2.201   8.177
  101   1HG   GLU  11          2HG       GLU  11   4.387  -4.134   9.360
  102   2HG   GLU  11          1HG       GLU  11   6.098  -4.451   9.645
  103    H    SER  12           H        SER  12   5.350  -2.804   4.788
  104    HA   SER  12           HA       SER  12   6.046  -0.033   4.641
  105   1HB   SER  12          2HB       SER  12   5.774  -2.092   2.432
  106   2HB   SER  12          1HB       SER  12   6.535  -0.510   2.269
  107    HG   SER  12           HG       SER  12   8.099  -2.098   2.645
  108    H    TYR  13           H        TYR  13   3.448  -2.047   3.316
  109    HA   TYR  13           HA       TYR  13   2.108   0.038   1.945
  110   1HB   TYR  13          2HB       TYR  13   1.718  -2.383   1.528
  111   2HB   TYR  13          1HB       TYR  13   0.938  -2.506   3.099
  112    HD1  TYR  13           1HD      TYR  13  -1.355  -2.184   3.273
  113    HD2  TYR  13           2HD      TYR  13   0.690  -0.665  -0.135
  114    HE1  TYR  13           1HE      TYR  13  -3.510  -1.563   2.264
  115    HE2  TYR  13           2HE      TYR  13  -1.459  -0.039  -1.153
  116    HH   TYR  13           HH       TYR  13  -3.859   0.538  -0.181
  117    H    PHE  14           H        PHE  14   1.889  -1.271   5.200
  118    HA   PHE  14           HA       PHE  14  -0.360   0.293   5.986
  119   1HB   PHE  14          2HB       PHE  14   1.702  -1.276   7.511
  120   2HB   PHE  14          1HB       PHE  14   0.414  -0.404   8.320
  121    HD1  PHE  14           1HD      PHE  14   0.004  -2.751   9.260
  122    HD2  PHE  14           2HD      PHE  14  -0.642  -1.747   5.171
  123    HE1  PHE  14           1HE      PHE  14  -1.456  -4.715   9.007
  124    HE2  PHE  14           2HE      PHE  14  -2.103  -3.707   4.918
  125    HZ   PHE  14           HZ       PHE  14  -2.511  -5.200   6.833
  126    H    LYS  15           H        LYS  15   3.137   0.609   6.366
  127    HA   LYS  15           HA       LYS  15   3.077   2.954   7.945
  128   1HB   LYS  15          2HB       LYS  15   5.166   1.611   6.261
  129   2HB   LYS  15          1HB       LYS  15   5.472   3.201   6.937
  130   1HG   LYS  15          2HG       LYS  15   4.732   0.765   8.543
  131   2HG   LYS  15          1HG       LYS  15   6.371   1.373   8.317
  132   1HD   LYS  15          2HD       LYS  15   6.066   2.671  10.100
  133   2HD   LYS  15          1HD       LYS  15   4.868   3.577   9.178
  134   1HE   LYS  15          2HE       LYS  15   3.416   2.954  10.758
  135   2HE   LYS  15          1HE       LYS  15   3.459   1.364  10.000
  136   1HZ   LYS  15          1HZ       LYS  15   5.106   2.277  12.295
  137   2HZ   LYS  15          2HZ       LYS  15   5.295   0.786  11.520
  138   3HZ   LYS  15          3HZ       LYS  15   3.855   1.138  12.335
  139    H    ALA  16           H        ALA  16   3.420   2.389   4.467
  140    HA   ALA  16           HA       ALA  16   3.787   5.042   3.675
  141   1HB   ALA  16          1HB       ALA  16   4.236   3.219   2.165
  142   2HB   ALA  16          2HB       ALA  16   3.022   4.279   1.449
  143   3HB   ALA  16          3HB       ALA  16   2.537   2.746   2.174
  144    H    THR  17           H        THR  17   0.838   3.230   4.334
  145    HA   THR  17           HA       THR  17  -0.921   5.207   3.285
  146    HB   THR  17           HB       THR  17  -2.671   3.999   4.588
  147    HG1  THR  17           1HG      THR  17  -2.152   2.501   6.000
  148   1HG2  THR  17          1HG2      THR  17  -2.559   2.982   2.564
  149   2HG2  THR  17          2HG2      THR  17  -2.064   1.637   3.594
  150   3HG2  THR  17          3HG2      THR  17  -0.849   2.582   2.731
  151    H    GLU  18           H        GLU  18   0.621   4.666   6.374
  152    HA   GLU  18           HA       GLU  18  -0.947   6.604   7.784
  153   1HB   GLU  18          2HB       GLU  18   1.169   4.707   8.404
  154   2HB   GLU  18          1HB       GLU  18   1.382   6.233   9.249
  155   1HG   GLU  18          2HG       GLU  18  -0.591   6.009  10.427
  156   2HG   GLU  18          1HG       GLU  18  -1.274   4.871   9.267
  157    H    MET  19           H        MET  19   2.317   6.561   6.414
  158    HA   MET  19           HA       MET  19   2.786   9.307   7.155
  159   1HB   MET  19          2HB       MET  19   4.963   9.006   6.235
  160   2HB   MET  19          1HB       MET  19   4.566   7.563   7.144
  161   1HG   MET  19          2HG       MET  19   4.109   6.357   5.120
  162   2HG   MET  19          1HG       MET  19   4.328   7.815   4.157
  163   1HE   MET  19          1HE       MET  19   5.725   4.801   4.053
  164   2HE   MET  19          2HE       MET  19   6.007   4.757   5.793
  165   3HE   MET  19          3HE       MET  19   7.374   4.756   4.677
  166    H    ASN  20           H        ASN  20   1.367   7.712   4.493
  167    HA   ASN  20           HA       ASN  20   0.397   8.527   2.600
  168   1HB   ASN  20          2HB       ASN  20   1.573  11.243   3.159
  169   2HB   ASN  20          1HB       ASN  20   0.154  10.850   2.196
  170   1HD2  ASN  20          1HD2      ASN  20   1.006  12.276   4.919
  171   2HD2  ASN  20          2HD2      ASN  20  -0.350  11.911   5.926
  172    H    LEU  21           H        LEU  21   2.912   7.303   2.673
  173    HA   LEU  21           HA       LEU  21   4.938   8.558   1.221
  174   1HB   LEU  21          2HB       LEU  21   4.809   6.245   2.465
  175   2HB   LEU  21          1HB       LEU  21   4.366   5.638   0.883
  176    HG   LEU  21           HG       LEU  21   6.868   7.248   1.261
  177   1HD1  LEU  21          1HD1      LEU  21   6.320   4.508   2.179
  178   2HD1  LEU  21          2HD1      LEU  21   7.538   5.668   2.711
  179   3HD1  LEU  21          3HD1      LEU  21   7.800   4.723   1.245
  180   1HD2  LEU  21          1HD2      LEU  21   5.582   5.885  -0.917
  181   2HD2  LEU  21          2HD2      LEU  21   7.163   5.165  -0.610
  182   3HD2  LEU  21          3HD2      LEU  21   7.029   6.893  -0.929
  183    H    ASN  22           H        ASN  22   5.575   8.245  -1.020
  184    HA   ASN  22           HA       ASN  22   3.844   9.054  -2.925
  185   1HB   ASN  22          2HB       ASN  22   6.343   8.738  -3.142
  186   2HB   ASN  22          1HB       ASN  22   6.019   7.051  -3.531
  187   1HD2  ASN  22          1HD2      ASN  22   7.164   7.681  -5.514
  188   2HD2  ASN  22          2HD2      ASN  22   6.245   8.362  -6.810
  189    H    ARG  23           H        ARG  23   2.338   8.254  -4.284
  190    HA   ARG  23           HA       ARG  23   0.887   5.983  -3.628
  191   1HB   ARG  23          2HB       ARG  23   0.099   7.938  -4.994
  192   2HB   ARG  23          1HB       ARG  23   0.978   7.262  -6.358
  193   1HG   ARG  23          2HG       ARG  23  -0.853   6.126  -6.867
  194   2HG   ARG  23          1HG       ARG  23  -0.575   5.156  -5.420
  195   1HD   ARG  23          2HD       ARG  23  -2.543   5.890  -4.680
  196   2HD   ARG  23          1HD       ARG  23  -1.787   7.468  -4.472
  197    HE   ARG  23           HE       ARG  23  -2.582   7.313  -7.118
  198   1HH1  ARG  23          1HH1      ARG  23  -4.123   7.256  -3.977
  199   2HH1  ARG  23          2HH1      ARG  23  -5.599   7.951  -4.556
  200   1HH2  ARG  23          1HH2      ARG  23  -4.524   8.226  -7.869
  201   2HH2  ARG  23          2HH2      ARG  23  -5.827   8.501  -6.762
  202    H    ASP  24           H        ASP  24   3.607   6.330  -5.798
  203    HA   ASP  24           HA       ASP  24   3.276   3.896  -7.176
  204   1HB   ASP  24          2HB       ASP  24   5.573   5.761  -6.725
  205   2HB   ASP  24          1HB       ASP  24   5.889   4.174  -7.421
  206    H    PHE  25           H        PHE  25   4.715   4.694  -4.095
  207    HA   PHE  25           HA       PHE  25   5.955   2.134  -3.721
  208   1HB   PHE  25          2HB       PHE  25   6.501   4.447  -2.593
  209   2HB   PHE  25          1HB       PHE  25   5.250   3.964  -1.450
  210    HD1  PHE  25           1HD      PHE  25   7.984   2.094  -3.167
  211    HD2  PHE  25           2HD      PHE  25   6.219   3.285   0.518
  212    HE1  PHE  25           1HE      PHE  25   9.638   0.747  -1.944
  213    HE2  PHE  25           2HE      PHE  25   7.871   1.940   1.748
  214    HZ   PHE  25           HZ       PHE  25   9.584   0.668   0.517
  215    H    ILE  26           H        ILE  26   3.043   3.768  -2.575
  216    HA   ILE  26           HA       ILE  26   2.031   1.725  -0.947
  217    HB   ILE  26           HB       ILE  26   0.569   3.847  -2.531
  218   1HG1  ILE  26          2HG1      ILE  26   1.443   3.733   0.362
  219   2HG1  ILE  26          1HG1      ILE  26   2.148   4.743  -0.894
  220   1HG2  ILE  26          1HG2      ILE  26  -1.321   3.474  -1.007
  221   2HG2  ILE  26          2HG2      ILE  26  -0.458   2.121  -0.276
  222   3HG2  ILE  26          3HG2      ILE  26  -0.962   2.036  -1.963
  223   1HD1  ILE  26          1HD1      ILE  26  -0.436   5.511  -1.029
  224   2HD1  ILE  26          2HD1      ILE  26   0.788   6.302  -0.037
  225   3HD1  ILE  26          3HD1      ILE  26  -0.296   5.112   0.683
  226    H    GLU  27           H        GLU  27   1.614   2.400  -4.401
  227    HA   GLU  27           HA       GLU  27  -0.157   0.194  -4.826
  228   1HB   GLU  27          2HB       GLU  27   0.407   2.444  -6.236
  229   2HB   GLU  27          1HB       GLU  27   1.359   1.265  -7.124
  230   1HG   GLU  27          2HG       GLU  27  -0.484   0.100  -7.837
  231   2HG   GLU  27          1HG       GLU  27  -1.481   0.643  -6.487
  232    H    LEU  28           H        LEU  28   3.282   0.741  -5.012
  233    HA   LEU  28           HA       LEU  28   3.961  -1.627  -6.409
  234   1HB   LEU  28          2HB       LEU  28   5.616   0.010  -6.434
  235   2HB   LEU  28          1HB       LEU  28   5.427   0.374  -4.733
  236    HG   LEU  28           HG       LEU  28   6.566  -2.275  -5.539
  237   1HD1  LEU  28          1HD1      LEU  28   7.691  -0.262  -6.740
  238   2HD1  LEU  28          2HD1      LEU  28   8.693  -1.454  -5.911
  239   3HD1  LEU  28          3HD1      LEU  28   8.344   0.094  -5.141
  240   1HD2  LEU  28          1HD2      LEU  28   7.931  -1.586  -3.412
  241   2HD2  LEU  28          2HD2      LEU  28   6.290  -2.211  -3.258
  242   3HD2  LEU  28          3HD2      LEU  28   6.585  -0.475  -3.162
  243    H    ILE  29           H        ILE  29   3.835  -0.811  -2.952
  244    HA   ILE  29           HA       ILE  29   4.639  -3.384  -2.058
  245    HB   ILE  29           HB       ILE  29   3.005  -1.346  -0.537
  246   1HG1  ILE  29          2HG1      ILE  29   5.955  -1.617  -0.194
  247   2HG1  ILE  29          1HG1      ILE  29   5.369  -0.740  -1.602
  248   1HG2  ILE  29          1HG2      ILE  29   4.013  -2.418   1.439
  249   2HG2  ILE  29          2HG2      ILE  29   4.762  -3.615   0.383
  250   3HG2  ILE  29          3HG2      ILE  29   3.006  -3.526   0.508
  251   1HD1  ILE  29          1HD1      ILE  29   4.261  -0.035   1.060
  252   2HD1  ILE  29          2HD1      ILE  29   4.544   0.980  -0.354
  253   3HD1  ILE  29          3HD1      ILE  29   5.898   0.481   0.658
  254    H    GLU  30           H        GLU  30   1.582  -1.919  -2.911
  255    HA   GLU  30           HA       GLU  30  -0.039  -4.030  -1.834
  256   1HB   GLU  30          2HB       GLU  30  -0.718  -1.582  -2.317
  257   2HB   GLU  30          1HB       GLU  30  -0.907  -2.111  -3.983
  258   1HG   GLU  30          2HG       GLU  30  -2.287  -4.007  -2.505
  259   2HG   GLU  30          1HG       GLU  30  -2.656  -2.477  -1.711
  260    H    ASN  31           H        ASN  31   1.487  -3.283  -4.886
  261    HA   ASN  31           HA       ASN  31   0.095  -5.205  -6.446
  262   1HB   ASN  31          2HB       ASN  31   2.558  -3.545  -6.791
  263   2HB   ASN  31          1HB       ASN  31   2.291  -4.891  -7.893
  264   1HD2  ASN  31          1HD2      ASN  31   1.974  -3.600  -9.671
  265   2HD2  ASN  31          2HD2      ASN  31   0.572  -2.612  -9.877
  266    H    GLU  32           H        GLU  32   2.864  -5.336  -4.336
  267    HA   GLU  32           HA       GLU  32   3.754  -7.909  -5.295
  268   1HB   GLU  32          2HB       GLU  32   5.152  -6.028  -4.128
  269   2HB   GLU  32          1HB       GLU  32   4.541  -6.744  -2.642
  270   1HG   GLU  32          2HG       GLU  32   6.276  -8.119  -2.737
  271   2HG   GLU  32          1HG       GLU  32   5.448  -8.917  -4.074
  272    H    ILE  33           H        ILE  33   2.099  -6.616  -2.463
  273    HA   ILE  33           HA       ILE  33   1.670  -9.076  -1.144
  274    HB   ILE  33           HB       ILE  33   0.063  -6.511  -1.020
  275   1HG1  ILE  33          2HG1      ILE  33   2.113  -7.419   0.981
  276   2HG1  ILE  33          1HG1      ILE  33   2.585  -6.510  -0.451
  277   1HG2  ILE  33          1HG2      ILE  33  -0.989  -8.687  -0.106
  278   2HG2  ILE  33          2HG2      ILE  33  -0.963  -7.266   0.933
  279   3HG2  ILE  33          3HG2      ILE  33   0.217  -8.551   1.172
  280   1HD1  ILE  33          1HD1      ILE  33   2.277  -5.116   1.564
  281   2HD1  ILE  33          2HD1      ILE  33   0.572  -5.569   1.575
  282   3HD1  ILE  33          3HD1      ILE  33   1.232  -4.649   0.222
  283    H    LYS  34           H        LYS  34  -0.022  -7.357  -3.694
  284    HA   LYS  34           HA       LYS  34  -2.407  -8.903  -3.624
  285   1HB   LYS  34          2HB       LYS  34  -1.160  -6.950  -5.488
  286   2HB   LYS  34          1HB       LYS  34  -2.378  -8.028  -6.158
  287   1HG   LYS  34          2HG       LYS  34  -3.082  -6.704  -3.622
  288   2HG   LYS  34          1HG       LYS  34  -2.940  -5.659  -5.035
  289   1HD   LYS  34          2HD       LYS  34  -4.637  -6.786  -6.184
  290   2HD   LYS  34          1HD       LYS  34  -4.537  -8.196  -5.127
  291   1HE   LYS  34          2HE       LYS  34  -5.201  -6.425  -3.288
  292   2HE   LYS  34          1HE       LYS  34  -5.862  -5.569  -4.681
  293   1HZ   LYS  34          1HZ       LYS  34  -6.553  -8.325  -3.814
  294   2HZ   LYS  34          2HZ       LYS  34  -7.131  -7.587  -5.222
  295   3HZ   LYS  34          3HZ       LYS  34  -7.544  -6.957  -3.707
  296    H    ARG  35           H        ARG  35   0.540  -9.042  -5.602
  297    HA   ARG  35           HA       ARG  35  -0.251 -11.342  -7.073
  298   1HB   ARG  35          2HB       ARG  35   1.616  -9.570  -7.556
  299   2HB   ARG  35          1HB       ARG  35   2.623 -10.643  -6.592
  300   1HG   ARG  35          2HG       ARG  35   3.047 -11.606  -8.570
  301   2HG   ARG  35          1HG       ARG  35   1.509 -12.421  -8.284
  302   1HD   ARG  35          2HD       ARG  35   1.030  -9.854  -9.472
  303   2HD   ARG  35          1HD       ARG  35   2.213 -10.738 -10.434
  304    HE   ARG  35           HE       ARG  35   0.015 -12.398  -9.760
  305   1HH1  ARG  35          1HH1      ARG  35   0.934  -9.789 -11.903
  306   2HH1  ARG  35          2HH1      ARG  35  -0.220 -10.223 -13.119
  307   1HH2  ARG  35          1HH2      ARG  35  -1.495 -12.962 -11.362
  308   2HH2  ARG  35          2HH2      ARG  35  -1.596 -12.021 -12.814
  309    H    ARG  36           H        ARG  36   1.083 -10.858  -3.922
  310    HA   ARG  36           HA       ARG  36   2.091 -13.550  -3.649
  311   1HB   ARG  36          2HB       ARG  36   1.972 -11.113  -1.929
  312   2HB   ARG  36          1HB       ARG  36   2.203 -12.670  -1.154
  313   1HG   ARG  36          2HG       ARG  36   3.984 -12.468  -3.378
  314   2HG   ARG  36          1HG       ARG  36   4.133 -11.021  -2.379
  315   1HD   ARG  36          2HD       ARG  36   5.596 -12.333  -1.251
  316   2HD   ARG  36          1HD       ARG  36   4.120 -12.869  -0.449
  317    HE   ARG  36           HE       ARG  36   4.741 -14.411  -2.779
  318   1HH1  ARG  36          1HH1      ARG  36   5.439 -14.041   0.629
  319   2HH1  ARG  36          2HH1      ARG  36   5.919 -15.692   0.832
  320   1HH2  ARG  36          1HH2      ARG  36   5.372 -16.577  -2.503
  321   2HH2  ARG  36          2HH2      ARG  36   5.881 -17.130  -0.943
  322    H    SER  37           H        SER  37  -0.978 -12.556  -3.869
  323    HA   SER  37           HA       SER  37  -2.988 -13.336  -3.154
  324   1HB   SER  37          2HB       SER  37  -1.642 -15.531  -3.612
  325   2HB   SER  37          1HB       SER  37  -1.621 -15.676  -1.855
  326    HG   SER  37           HG       SER  37  -3.599 -16.256  -3.550
  327    H    LEU  38           H        LEU  38  -1.485 -11.565  -1.475
  328    HA   LEU  38           HA       LEU  38  -2.537 -12.327   1.175
  329   1HB   LEU  38          2HB       LEU  38   0.036 -12.188   0.738
  330   2HB   LEU  38          1HB       LEU  38  -0.233 -10.459   0.843
  331    HG   LEU  38           HG       LEU  38  -1.326 -10.917   3.103
  332   1HD1  LEU  38          1HD1      LEU  38  -1.065 -12.951   4.148
  333   2HD1  LEU  38          2HD1      LEU  38   0.271 -13.437   3.105
  334   3HD1  LEU  38          3HD1      LEU  38  -1.381 -13.451   2.486
  335   1HD2  LEU  38          1HD2      LEU  38   0.836 -10.995   4.238
  336   2HD2  LEU  38          2HD2      LEU  38   0.871  -9.894   2.860
  337   3HD2  LEU  38          3HD2      LEU  38   1.611 -11.490   2.733
  338    H    GLY  39           H        GLY  39  -3.661 -10.660  -1.147
  339   1HA   GLY  39          2HA       GLY  39  -3.656  -7.949  -0.360
  340   2HA   GLY  39          1HA       GLY  39  -4.865  -8.702  -1.379
  341    H    HIS  40           H        HIS  40  -5.420 -10.705   0.831
  342    HA   HIS  40           HA       HIS  40  -7.583  -9.339   2.009
  343   1HB   HIS  40          2HB       HIS  40  -7.924 -11.332   3.340
  344   2HB   HIS  40          1HB       HIS  40  -7.486 -11.804   1.703
  345    HD1  HIS  40           1HD      HIS  40  -7.109 -13.483   4.428
  346    HD2  HIS  40           2HD      HIS  40  -4.165 -11.510   2.263
  347    HE1  HIS  40           1HE      HIS  40  -4.950 -14.619   5.039
  348    HE2  HIS  40           2HE      HIS  40  -3.192 -13.455   3.660
  349    H    ILE  41           H        ILE  41  -4.252  -9.624   2.902
  350    HA   ILE  41           HA       ILE  41  -4.555  -8.968   5.661
  351    HB   ILE  41           HB       ILE  41  -2.576 -10.131   4.447
  352   1HG1  ILE  41          2HG1      ILE  41  -1.008  -9.415   6.192
  353   2HG1  ILE  41          1HG1      ILE  41  -2.049  -8.044   6.563
  354   1HG2  ILE  41          1HG2      ILE  41  -1.198  -7.526   4.374
  355   2HG2  ILE  41          2HG2      ILE  41  -2.315  -7.865   3.052
  356   3HG2  ILE  41          3HG2      ILE  41  -0.975  -8.963   3.376
  357   1HD1  ILE  41          1HD1      ILE  41  -2.204 -10.111   8.045
  358   2HD1  ILE  41          2HD1      ILE  41  -3.057 -10.858   6.694
  359   3HD1  ILE  41          3HD1      ILE  41  -3.712  -9.410   7.459
  360    H    ILE  42           H        ILE  42  -4.218  -7.172   2.701
  361    HA   ILE  42           HA       ILE  42  -3.861  -4.631   4.097
  362    HB   ILE  42           HB       ILE  42  -3.771  -3.693   1.745
  363   1HG1  ILE  42          2HG1      ILE  42  -3.528  -6.592   0.978
  364   2HG1  ILE  42          1HG1      ILE  42  -4.969  -5.624   0.718
  365   1HG2  ILE  42          1HG2      ILE  42  -1.759  -5.805   2.462
  366   2HG2  ILE  42          2HG2      ILE  42  -1.752  -4.126   3.005
  367   3HG2  ILE  42          3HG2      ILE  42  -1.517  -4.502   1.298
  368   1HD1  ILE  42          1HD1      ILE  42  -3.651  -4.106  -0.703
  369   2HD1  ILE  42          2HD1      ILE  42  -3.691  -5.760  -1.315
  370   3HD1  ILE  42          3HD1      ILE  42  -2.255  -5.161  -0.486
  371    H    SER  43           H        SER  43  -5.236  -2.810   3.604
  372    HA   SER  43           HA       SER  43  -8.031  -3.607   3.331
  373   1HB   SER  43          2HB       SER  43  -7.419  -2.138   5.219
  374   2HB   SER  43          1HB       SER  43  -6.823  -0.929   4.083
  375    HG   SER  43           HG       SER  43  -9.034  -0.638   4.891
  376    H    VAL  44           H        VAL  44  -7.689  -4.092   1.047
  377    HA   VAL  44           HA       VAL  44  -7.058  -1.977  -0.784
  378    HB   VAL  44           HB       VAL  44  -8.497  -4.417  -1.734
  379   1HG1  VAL  44          1HG1      VAL  44  -6.432  -2.529  -2.729
  380   2HG1  VAL  44          2HG1      VAL  44  -7.882  -3.142  -3.523
  381   3HG1  VAL  44          3HG1      VAL  44  -6.457  -4.170  -3.375
  382   1HG2  VAL  44          1HG2      VAL  44  -7.046  -5.490  -0.206
  383   2HG2  VAL  44          2HG2      VAL  44  -5.711  -4.413  -0.618
  384   3HG2  VAL  44          3HG2      VAL  44  -6.268  -5.611  -1.786
  385    H    SER  45           H        SER  45  -8.586  -1.461  -2.624
  386    HA   SER  45           HA       SER  45 -11.146  -0.680  -1.474
  387   1HB   SER  45          2HB       SER  45 -10.052   1.125  -2.550
  388   2HB   SER  45          1HB       SER  45  -9.649   0.144  -3.959
  389    HG   SER  45           HG       SER  45 -11.377   1.272  -4.613
  390    H    SER  46           H        SER  46 -12.317  -2.597  -1.498
  391    HA   SER  46           HA       SER  46 -13.361  -3.336  -4.117
  392   1HB   SER  46          2HB       SER  46 -12.225  -5.377  -2.189
  393   2HB   SER  46          1HB       SER  46 -13.096  -5.749  -3.676
  394    HG   SER  46           HG       SER  46 -10.556  -5.452  -3.477
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  12.838  -5.618  -2.608
    2   2H    MET   1          2HT       MET   1  12.271  -4.970  -1.122
    3   3H    MET   1          3HT       MET   1  12.590  -3.929  -2.448
    4    HA   MET   1           HA       MET   1  10.237  -4.356  -2.063
    5   1HB   MET   1          2HB       MET   1  11.677  -4.099  -4.366
    6   2HB   MET   1          1HB       MET   1  10.785  -5.579  -4.692
    7   1HG   MET   1          2HG       MET   1   9.599  -2.921  -3.929
    8   2HG   MET   1          1HG       MET   1   9.602  -3.642  -5.538
    9   1HE   MET   1          1HE       MET   1   6.719  -3.974  -2.246
   10   2HE   MET   1          2HE       MET   1   8.349  -3.302  -2.198
   11   3HE   MET   1          3HE       MET   1   8.074  -4.981  -1.736
   12    H    ARG   2           H        ARG   2  11.629  -7.144  -3.802
   13    HA   ARG   2           HA       ARG   2   9.496  -8.845  -2.851
   14   1HB   ARG   2          2HB       ARG   2  10.720  -8.830  -5.184
   15   2HB   ARG   2          1HB       ARG   2  11.855  -9.890  -4.359
   16   1HG   ARG   2          2HG       ARG   2  10.210 -11.531  -3.984
   17   2HG   ARG   2          1HG       ARG   2   8.900 -10.421  -4.393
   18   1HD   ARG   2          2HD       ARG   2   9.749 -10.330  -6.711
   19   2HD   ARG   2          1HD       ARG   2  10.982 -11.514  -6.282
   20    HE   ARG   2           HE       ARG   2   8.613 -12.686  -5.581
   21   1HH1  ARG   2          1HH1      ARG   2   9.932 -11.366  -8.541
   22   2HH1  ARG   2          2HH1      ARG   2   9.034 -12.439  -9.560
   23   1HH2  ARG   2          1HH2      ARG   2   7.438 -14.092  -6.928
   24   2HH2  ARG   2          2HH2      ARG   2   7.620 -13.983  -8.647
   25    H    LYS   3           H        LYS   3  12.830  -8.230  -2.063
   26    HA   LYS   3           HA       LYS   3  13.135 -10.665  -0.539
   27   1HB   LYS   3          2HB       LYS   3  14.915  -9.047  -1.783
   28   2HB   LYS   3          1HB       LYS   3  15.058  -8.457  -0.133
   29   1HG   LYS   3          2HG       LYS   3  15.280 -11.367  -0.847
   30   2HG   LYS   3          1HG       LYS   3  16.665 -10.273  -0.811
   31   1HD   LYS   3          2HD       LYS   3  15.980  -9.710   1.564
   32   2HD   LYS   3          1HD       LYS   3  14.874 -11.083   1.468
   33   1HE   LYS   3          2HE       LYS   3  16.644 -12.215   2.291
   34   2HE   LYS   3          1HE       LYS   3  17.137 -12.246   0.598
   35   1HZ   LYS   3          1HZ       LYS   3  18.221  -9.967   1.279
   36   2HZ   LYS   3          2HZ       LYS   3  19.020 -11.435   1.546
   37   3HZ   LYS   3          3HZ       LYS   3  18.207 -10.671   2.818
   38    H    LEU   4           H        LEU   4  10.979  -9.701   0.548
   39    HA   LEU   4           HA       LEU   4  11.831  -8.895   3.205
   40   1HB   LEU   4          2HB       LEU   4   9.525  -7.361   2.121
   41   2HB   LEU   4          1HB       LEU   4  10.652  -6.933   3.390
   42    HG   LEU   4           HG       LEU   4  11.529  -7.007   0.520
   43   1HD1  LEU   4          1HD1      LEU   4   9.755  -5.524   0.317
   44   2HD1  LEU   4          2HD1      LEU   4  11.126  -4.470   0.664
   45   3HD1  LEU   4          3HD1      LEU   4   9.982  -4.878   1.943
   46   1HD2  LEU   4          1HD2      LEU   4  12.555  -5.038   2.453
   47   2HD2  LEU   4          2HD2      LEU   4  13.411  -6.006   1.253
   48   3HD2  LEU   4          3HD2      LEU   4  12.948  -6.721   2.797
   49    H    SER   5           H        SER   5  10.495  -9.625   4.805
   50    HA   SER   5           HA       SER   5   8.687 -11.722   4.169
   51   1HB   SER   5          2HB       SER   5   8.565 -10.461   6.857
   52   2HB   SER   5          1HB       SER   5   8.668 -12.165   6.417
   53    HG   SER   5           HG       SER   5  10.593 -11.186   7.408
   54    H    ASP   6           H        ASP   6   6.407 -11.802   4.869
   55    HA   ASP   6           HA       ASP   6   4.901  -9.734   3.723
   56   1HB   ASP   6          2HB       ASP   6   3.615 -11.400   5.854
   57   2HB   ASP   6          1HB       ASP   6   2.987 -10.892   4.296
   58    H    GLU   7           H        GLU   7   6.176 -10.136   6.923
   59    HA   GLU   7           HA       GLU   7   4.507  -8.204   8.193
   60   1HB   GLU   7          2HB       GLU   7   6.828  -9.848   8.910
   61   2HB   GLU   7          1HB       GLU   7   6.817  -8.273   9.694
   62   1HG   GLU   7          2HG       GLU   7   5.688  -9.574  11.210
   63   2HG   GLU   7          1HG       GLU   7   4.365  -8.866  10.283
   64    H    LEU   8           H        LEU   8   7.639  -8.144   6.619
   65    HA   LEU   8           HA       LEU   8   8.121  -5.368   7.211
   66   1HB   LEU   8          2HB       LEU   8   9.508  -7.485   5.643
   67   2HB   LEU   8          1HB       LEU   8   9.913  -5.806   5.336
   68    HG   LEU   8           HG       LEU   8  11.447  -6.831   6.937
   69   1HD1  LEU   8          1HD1      LEU   8  11.621  -4.983   8.241
   70   2HD1  LEU   8          2HD1      LEU   8   9.900  -4.954   8.621
   71   3HD1  LEU   8          3HD1      LEU   8  10.467  -4.374   7.055
   72   1HD2  LEU   8          1HD2      LEU   8  10.778  -7.658   9.039
   73   2HD2  LEU   8          2HD2      LEU   8   9.688  -8.396   7.866
   74   3HD2  LEU   8          3HD2      LEU   8   9.140  -7.036   8.845
   75    H    LEU   9           H        LEU   9   6.887  -7.261   4.527
   76    HA   LEU   9           HA       LEU   9   6.827  -5.112   2.655
   77   1HB   LEU   9          2HB       LEU   9   6.911  -7.401   1.880
   78   2HB   LEU   9          1HB       LEU   9   5.414  -7.775   2.709
   79    HG   LEU   9           HG       LEU   9   4.371  -5.976   1.154
   80   1HD1  LEU   9          1HD1      LEU   9   6.258  -4.984   0.175
   81   2HD1  LEU   9          2HD1      LEU   9   5.580  -6.012  -1.086
   82   3HD1  LEU   9          3HD1      LEU   9   6.998  -6.543  -0.184
   83   1HD2  LEU   9          1HD2      LEU   9   5.282  -8.689   0.209
   84   2HD2  LEU   9          2HD2      LEU   9   4.092  -7.698  -0.635
   85   3HD2  LEU   9          3HD2      LEU   9   3.758  -8.281   0.996
   86    H    ILE  10           H        ILE  10   4.432  -6.617   4.773
   87    HA   ILE  10           HA       ILE  10   2.308  -4.940   3.903
   88    HB   ILE  10           HB       ILE  10   2.561  -6.636   6.383
   89   1HG1  ILE  10          2HG1      ILE  10   0.838  -7.180   3.989
   90   2HG1  ILE  10          1HG1      ILE  10   2.545  -7.616   3.973
   91   1HG2  ILE  10          1HG2      ILE  10   0.896  -5.108   6.968
   92   2HG2  ILE  10          2HG2      ILE  10  -0.010  -6.456   6.283
   93   3HG2  ILE  10          3HG2      ILE  10   0.278  -5.009   5.319
   94   1HD1  ILE  10          1HD1      ILE  10   2.218  -9.369   5.294
   95   2HD1  ILE  10          2HD1      ILE  10   0.526  -9.188   4.853
   96   3HD1  ILE  10          3HD1      ILE  10   1.121  -8.491   6.355
   97    H    GLU  11           H        GLU  11   4.698  -4.795   6.452
   98    HA   GLU  11           HA       GLU  11   3.586  -2.668   7.923
   99   1HB   GLU  11          2HB       GLU  11   6.280  -3.887   7.656
  100   2HB   GLU  11          1HB       GLU  11   6.197  -2.283   8.361
  101   1HG   GLU  11          2HG       GLU  11   4.284  -4.222   9.452
  102   2HG   GLU  11          1HG       GLU  11   5.981  -4.589   9.753
  103    H    SER  12           H        SER  12   5.365  -2.802   4.933
  104    HA   SER  12           HA       SER  12   6.042  -0.015   4.873
  105   1HB   SER  12          2HB       SER  12   5.864  -1.985   2.573
  106   2HB   SER  12          1HB       SER  12   6.686  -0.425   2.551
  107    HG   SER  12           HG       SER  12   8.178  -2.071   2.927
  108    H    TYR  13           H        TYR  13   3.522  -2.042   3.421
  109    HA   TYR  13           HA       TYR  13   2.202   0.038   2.033
  110   1HB   TYR  13          2HB       TYR  13   1.860  -2.404   1.611
  111   2HB   TYR  13          1HB       TYR  13   0.988  -2.506   3.135
  112    HD1  TYR  13           1HD      TYR  13  -1.313  -2.325   3.086
  113    HD2  TYR  13           2HD      TYR  13   0.948  -0.545  -0.047
  114    HE1  TYR  13           1HE      TYR  13  -3.400  -1.704   1.940
  115    HE2  TYR  13           2HE      TYR  13  -1.132   0.080  -1.201
  116    HH   TYR  13           HH       TYR  13  -4.177  -1.157  -0.304
  117    H    PHE  14           H        PHE  14   1.913  -1.292   5.273
  118    HA   PHE  14           HA       PHE  14  -0.374   0.245   6.011
  119   1HB   PHE  14          2HB       PHE  14   1.666  -1.313   7.575
  120   2HB   PHE  14          1HB       PHE  14   0.358  -0.452   8.360
  121    HD1  PHE  14           1HD      PHE  14  -0.007  -2.829   9.276
  122    HD2  PHE  14           2HD      PHE  14  -0.673  -1.766   5.205
  123    HE1  PHE  14           1HE      PHE  14  -1.446  -4.805   8.995
  124    HE2  PHE  14           2HE      PHE  14  -2.114  -3.738   4.923
  125    HZ   PHE  14           HZ       PHE  14  -2.500  -5.266   6.816
  126    H    LYS  15           H        LYS  15   3.105   0.539   6.583
  127    HA   LYS  15           HA       LYS  15   2.989   2.908   8.118
  128   1HB   LYS  15          2HB       LYS  15   5.166   1.573   6.527
  129   2HB   LYS  15          1HB       LYS  15   5.436   3.111   7.330
  130   1HG   LYS  15          2HG       LYS  15   4.444   0.681   8.786
  131   2HG   LYS  15          1HG       LYS  15   6.158   1.045   8.584
  132   1HD   LYS  15          2HD       LYS  15   5.903   2.156  10.527
  133   2HD   LYS  15          1HD       LYS  15   5.233   3.424   9.497
  134   1HE   LYS  15          2HE       LYS  15   3.110   3.057  10.199
  135   2HE   LYS  15          1HE       LYS  15   3.356   1.320  10.378
  136   1HZ   LYS  15          1HZ       LYS  15   3.810   3.470  12.300
  137   2HZ   LYS  15          2HZ       LYS  15   4.884   2.165  12.340
  138   3HZ   LYS  15          3HZ       LYS  15   3.227   1.901  12.548
  139    H    ALA  16           H        ALA  16   3.320   2.279   4.670
  140    HA   ALA  16           HA       ALA  16   3.824   4.960   3.916
  141   1HB   ALA  16          1HB       ALA  16   2.918   2.536   2.400
  142   2HB   ALA  16          2HB       ALA  16   4.495   3.326   2.376
  143   3HB   ALA  16          3HB       ALA  16   3.104   4.108   1.624
  144    H    THR  17           H        THR  17   0.859   3.066   4.218
  145    HA   THR  17           HA       THR  17  -0.840   4.977   3.010
  146    HB   THR  17           HB       THR  17  -2.663   3.759   4.237
  147    HG1  THR  17           1HG      THR  17  -2.056   2.710   5.933
  148   1HG2  THR  17          1HG2      THR  17  -0.799   2.561   2.343
  149   2HG2  THR  17          2HG2      THR  17  -2.562   2.615   2.331
  150   3HG2  THR  17          3HG2      THR  17  -1.724   1.390   3.284
  151    H    GLU  18           H        GLU  18   0.412   4.578   6.249
  152    HA   GLU  18           HA       GLU  18  -1.352   6.461   7.469
  153   1HB   GLU  18          2HB       GLU  18   0.845   4.740   8.296
  154   2HB   GLU  18          1HB       GLU  18   0.884   6.300   9.105
  155   1HG   GLU  18          2HG       GLU  18  -1.745   5.637   9.322
  156   2HG   GLU  18          1HG       GLU  18  -0.966   4.058   9.416
  157    H    MET  19           H        MET  19   1.996   6.608   6.337
  158    HA   MET  19           HA       MET  19   2.230   9.398   7.015
  159   1HB   MET  19          2HB       MET  19   4.479   9.215   6.250
  160   2HB   MET  19          1HB       MET  19   4.113   7.772   7.174
  161   1HG   MET  19          2HG       MET  19   3.920   6.468   5.194
  162   2HG   MET  19          1HG       MET  19   4.011   7.901   4.174
  163   1HE   MET  19          1HE       MET  19   6.602   5.367   6.357
  164   2HE   MET  19          2HE       MET  19   7.103   5.118   4.685
  165   3HE   MET  19          3HE       MET  19   5.398   5.019   5.118
  166    H    ASN  20           H        ASN  20   1.055   7.663   4.335
  167    HA   ASN  20           HA       ASN  20   0.174   8.369   2.355
  168   1HB   ASN  20          2HB       ASN  20   1.201  11.150   2.881
  169   2HB   ASN  20          1HB       ASN  20  -0.145  10.663   1.856
  170   1HD2  ASN  20          1HD2      ASN  20   0.763  11.809   4.864
  171   2HD2  ASN  20          2HD2      ASN  20  -0.736  11.583   5.694
  172    H    LEU  21           H        LEU  21   2.693   7.238   2.619
  173    HA   LEU  21           HA       LEU  21   4.817   8.476   1.330
  174   1HB   LEU  21          2HB       LEU  21   4.547   6.152   2.532
  175   2HB   LEU  21          1HB       LEU  21   4.253   5.567   0.909
  176    HG   LEU  21           HG       LEU  21   6.715   7.166   1.479
  177   1HD1  LEU  21          1HD1      LEU  21   7.191   4.323   1.639
  178   2HD1  LEU  21          2HD1      LEU  21   6.116   4.868   2.924
  179   3HD1  LEU  21          3HD1      LEU  21   7.698   5.617   2.723
  180   1HD2  LEU  21          1HD2      LEU  21   7.186   6.628  -0.627
  181   2HD2  LEU  21          2HD2      LEU  21   5.635   5.800  -0.757
  182   3HD2  LEU  21          3HD2      LEU  21   7.068   4.911  -0.243
  183    H    ASN  22           H        ASN  22   5.667   8.063  -0.862
  184    HA   ASN  22           HA       ASN  22   4.145   8.954  -2.911
  185   1HB   ASN  22          2HB       ASN  22   6.676   8.350  -2.806
  186   2HB   ASN  22          1HB       ASN  22   6.162   6.813  -3.495
  187   1HD2  ASN  22          1HD2      ASN  22   5.370  10.239  -3.999
  188   2HD2  ASN  22          2HD2      ASN  22   5.556  10.202  -5.717
  189    H    ARG  23           H        ARG  23   2.604   8.252  -4.250
  190    HA   ARG  23           HA       ARG  23   1.085   5.994  -3.723
  191   1HB   ARG  23          2HB       ARG  23   0.573   8.126  -5.138
  192   2HB   ARG  23          1HB       ARG  23   1.175   7.162  -6.479
  193   1HG   ARG  23          2HG       ARG  23  -0.960   6.522  -6.672
  194   2HG   ARG  23          1HG       ARG  23  -0.563   5.423  -5.351
  195   1HD   ARG  23          2HD       ARG  23  -2.381   6.391  -4.411
  196   2HD   ARG  23          1HD       ARG  23  -1.189   7.594  -3.923
  197    HE   ARG  23           HE       ARG  23  -2.149   8.357  -6.414
  198   1HH1  ARG  23          1HH1      ARG  23  -3.409   7.942  -3.176
  199   2HH1  ARG  23          2HH1      ARG  23  -4.633   9.150  -3.370
  200   1HH2  ARG  23          1HH2      ARG  23  -3.759   9.943  -6.658
  201   2HH2  ARG  23          2HH2      ARG  23  -4.832  10.284  -5.342
  202    H    ASP  24           H        ASP  24   3.918   6.320  -5.720
  203    HA   ASP  24           HA       ASP  24   3.530   3.949  -7.231
  204   1HB   ASP  24          2HB       ASP  24   5.836   5.779  -6.709
  205   2HB   ASP  24          1HB       ASP  24   6.162   4.197  -7.409
  206    H    PHE  25           H        PHE  25   5.066   4.642  -4.147
  207    HA   PHE  25           HA       PHE  25   6.180   2.018  -3.846
  208   1HB   PHE  25          2HB       PHE  25   6.863   4.275  -2.684
  209   2HB   PHE  25          1HB       PHE  25   5.615   3.832  -1.524
  210    HD1  PHE  25           1HD      PHE  25   8.322   1.991  -3.323
  211    HD2  PHE  25           2HD      PHE  25   6.481   2.940   0.393
  212    HE1  PHE  25           1HE      PHE  25   9.931   0.536  -2.159
  213    HE2  PHE  25           2HE      PHE  25   8.087   1.489   1.565
  214    HZ   PHE  25           HZ       PHE  25   9.814   0.285   0.288
  215    H    ILE  26           H        ILE  26   3.323   3.740  -2.715
  216    HA   ILE  26           HA       ILE  26   2.264   1.737  -1.056
  217    HB   ILE  26           HB       ILE  26   0.874   3.904  -2.645
  218   1HG1  ILE  26          2HG1      ILE  26   1.710   3.725   0.256
  219   2HG1  ILE  26          1HG1      ILE  26   2.440   4.746  -0.978
  220   1HG2  ILE  26          1HG2      ILE  26  -0.226   2.085  -0.500
  221   2HG2  ILE  26          2HG2      ILE  26  -0.782   2.237  -2.167
  222   3HG2  ILE  26          3HG2      ILE  26  -1.017   3.569  -1.036
  223   1HD1  ILE  26          1HD1      ILE  26   1.070   6.162   0.284
  224   2HD1  ILE  26          2HD1      ILE  26  -0.258   5.003   0.301
  225   3HD1  ILE  26          3HD1      ILE  26   0.160   5.842  -1.193
  226    H    GLU  27           H        GLU  27   1.826   2.416  -4.512
  227    HA   GLU  27           HA       GLU  27   0.025   0.240  -4.926
  228   1HB   GLU  27          2HB       GLU  27   0.657   2.452  -6.368
  229   2HB   GLU  27          1HB       GLU  27   1.588   1.238  -7.229
  230   1HG   GLU  27          2HG       GLU  27  -0.259   0.159  -8.000
  231   2HG   GLU  27          1HG       GLU  27  -1.242   0.615  -6.610
  232    H    LEU  28           H        LEU  28   3.476   0.701  -5.101
  233    HA   LEU  28           HA       LEU  28   4.116  -1.696  -6.457
  234   1HB   LEU  28          2HB       LEU  28   5.807  -0.093  -6.465
  235   2HB   LEU  28          1HB       LEU  28   5.606   0.276  -4.767
  236    HG   LEU  28           HG       LEU  28   6.683  -2.402  -5.546
  237   1HD1  LEU  28          1HD1      LEU  28   8.976  -1.227  -5.275
  238   2HD1  LEU  28          2HD1      LEU  28   8.094   0.226  -5.743
  239   3HD1  LEU  28          3HD1      LEU  28   8.151  -1.160  -6.833
  240   1HD2  LEU  28          1HD2      LEU  28   6.766  -0.571  -3.190
  241   2HD2  LEU  28          2HD2      LEU  28   8.053  -1.755  -3.422
  242   3HD2  LEU  28          3HD2      LEU  28   6.380  -2.290  -3.264
  243    H    ILE  29           H        ILE  29   3.983  -0.846  -3.009
  244    HA   ILE  29           HA       ILE  29   4.698  -3.435  -2.088
  245    HB   ILE  29           HB       ILE  29   3.100  -1.356  -0.586
  246   1HG1  ILE  29          2HG1      ILE  29   6.025  -1.632  -0.165
  247   2HG1  ILE  29          1HG1      ILE  29   5.520  -0.844  -1.654
  248   1HG2  ILE  29          1HG2      ILE  29   3.909  -2.434   1.397
  249   2HG2  ILE  29          2HG2      ILE  29   4.923  -3.521   0.446
  250   3HG2  ILE  29          3HG2      ILE  29   3.166  -3.652   0.360
  251   1HD1  ILE  29          1HD1      ILE  29   4.006   0.245   0.482
  252   2HD1  ILE  29          2HD1      ILE  29   5.196   1.038  -0.548
  253   3HD1  ILE  29          3HD1      ILE  29   5.708   0.246   0.942
  254    H    GLU  30           H        GLU  30   1.694  -1.886  -2.977
  255    HA   GLU  30           HA       GLU  30   0.005  -3.944  -1.898
  256   1HB   GLU  30          2HB       GLU  30  -0.551  -1.446  -2.463
  257   2HB   GLU  30          1HB       GLU  30  -0.857  -2.071  -4.076
  258   1HG   GLU  30          2HG       GLU  30  -2.304  -3.816  -2.667
  259   2HG   GLU  30          1HG       GLU  30  -2.381  -2.435  -1.574
  260    H    ASN  31           H        ASN  31   1.552  -3.241  -4.955
  261    HA   ASN  31           HA       ASN  31   0.123  -5.117  -6.525
  262   1HB   ASN  31          2HB       ASN  31   2.664  -3.572  -6.834
  263   2HB   ASN  31          1HB       ASN  31   2.352  -4.909  -7.937
  264   1HD2  ASN  31          1HD2      ASN  31   2.343  -1.819  -8.021
  265   2HD2  ASN  31          2HD2      ASN  31   0.906  -1.463  -8.912
  266    H    GLU  32           H        GLU  32   2.859  -5.362  -4.383
  267    HA   GLU  32           HA       GLU  32   3.629  -7.985  -5.314
  268   1HB   GLU  32          2HB       GLU  32   5.125  -6.178  -4.169
  269   2HB   GLU  32          1HB       GLU  32   4.455  -6.812  -2.673
  270   1HG   GLU  32          2HG       GLU  32   6.440  -7.977  -2.922
  271   2HG   GLU  32          1HG       GLU  32   5.225  -9.102  -3.527
  272    H    ILE  33           H        ILE  33   2.025  -6.586  -2.501
  273    HA   ILE  33           HA       ILE  33   1.468  -9.009  -1.168
  274    HB   ILE  33           HB       ILE  33  -0.007  -6.366  -1.067
  275   1HG1  ILE  33          2HG1      ILE  33   1.983  -7.372   0.949
  276   2HG1  ILE  33          1HG1      ILE  33   2.509  -6.492  -0.482
  277   1HG2  ILE  33          1HG2      ILE  33   0.028  -8.370   1.160
  278   2HG2  ILE  33          2HG2      ILE  33  -1.154  -8.505  -0.140
  279   3HG2  ILE  33          3HG2      ILE  33  -1.107  -7.056   0.860
  280   1HD1  ILE  33          1HD1      ILE  33   2.264  -5.077   1.525
  281   2HD1  ILE  33          2HD1      ILE  33   0.539  -5.445   1.535
  282   3HD1  ILE  33          3HD1      ILE  33   1.245  -4.564   0.180
  283    H    LYS  34           H        LYS  34  -0.112  -7.242  -3.751
  284    HA   LYS  34           HA       LYS  34  -2.569  -8.688  -3.670
  285   1HB   LYS  34          2HB       LYS  34  -1.258  -6.770  -5.537
  286   2HB   LYS  34          1HB       LYS  34  -2.557  -7.770  -6.175
  287   1HG   LYS  34          2HG       LYS  34  -3.629  -6.850  -3.831
  288   2HG   LYS  34          1HG       LYS  34  -2.661  -5.479  -4.372
  289   1HD   LYS  34          2HD       LYS  34  -3.812  -5.403  -6.465
  290   2HD   LYS  34          1HD       LYS  34  -4.641  -6.924  -6.125
  291   1HE   LYS  34          2HE       LYS  34  -5.768  -5.839  -4.213
  292   2HE   LYS  34          1HE       LYS  34  -4.994  -4.316  -4.651
  293   1HZ   LYS  34          1HZ       LYS  34  -6.124  -4.955  -6.962
  294   2HZ   LYS  34          2HZ       LYS  34  -6.908  -4.036  -5.779
  295   3HZ   LYS  34          3HZ       LYS  34  -7.224  -5.692  -5.910
  296    H    ARG  35           H        ARG  35   0.348  -8.887  -5.695
  297    HA   ARG  35           HA       ARG  35  -0.552 -11.157  -7.164
  298   1HB   ARG  35          2HB       ARG  35   1.204  -9.531  -7.932
  299   2HB   ARG  35          1HB       ARG  35   2.298 -10.241  -6.753
  300   1HG   ARG  35          2HG       ARG  35   1.908 -12.451  -7.904
  301   2HG   ARG  35          1HG       ARG  35   1.100 -11.540  -9.181
  302   1HD   ARG  35          2HD       ARG  35   3.191 -10.167  -9.388
  303   2HD   ARG  35          1HD       ARG  35   3.967 -11.304  -8.285
  304    HE   ARG  35           HE       ARG  35   2.752 -12.604 -10.522
  305   1HH1  ARG  35          1HH1      ARG  35   5.615 -10.882  -9.484
  306   2HH1  ARG  35          2HH1      ARG  35   6.635 -11.619 -10.673
  307   1HH2  ARG  35          1HH2      ARG  35   4.098 -13.567 -12.079
  308   2HH2  ARG  35          2HH2      ARG  35   5.775 -13.141 -12.144
  309    H    ARG  36           H        ARG  36   0.951 -10.711  -4.082
  310    HA   ARG  36           HA       ARG  36   1.939 -13.409  -3.869
  311   1HB   ARG  36          2HB       ARG  36   1.887 -10.992  -2.120
  312   2HB   ARG  36          1HB       ARG  36   2.140 -12.559  -1.369
  313   1HG   ARG  36          2HG       ARG  36   4.020 -12.907  -3.017
  314   2HG   ARG  36          1HG       ARG  36   3.843 -11.202  -3.437
  315   1HD   ARG  36          2HD       ARG  36   4.756 -10.494  -1.497
  316   2HD   ARG  36          1HD       ARG  36   4.030 -11.798  -0.557
  317    HE   ARG  36           HE       ARG  36   6.021 -12.885  -2.197
  318   1HH1  ARG  36          1HH1      ARG  36   5.739 -10.764   0.571
  319   2HH1  ARG  36          2HH1      ARG  36   7.295 -11.183   1.201
  320   1HH2  ARG  36          1HH2      ARG  36   8.064 -13.430  -1.361
  321   2HH2  ARG  36          2HH2      ARG  36   8.614 -12.692   0.107
  322    H    SER  37           H        SER  37  -1.145 -12.363  -3.918
  323    HA   SER  37           HA       SER  37  -3.121 -13.188  -3.160
  324   1HB   SER  37          2HB       SER  37  -2.136 -15.364  -3.804
  325   2HB   SER  37          1HB       SER  37  -1.433 -15.511  -2.194
  326    HG   SER  37           HG       SER  37  -3.359 -16.631  -2.212
  327    H    LEU  38           H        LEU  38  -1.606 -11.419  -1.525
  328    HA   LEU  38           HA       LEU  38  -2.531 -12.226   1.162
  329   1HB   LEU  38          2HB       LEU  38   0.024 -12.006   0.600
  330   2HB   LEU  38          1HB       LEU  38  -0.296 -10.290   0.757
  331    HG   LEU  38           HG       LEU  38  -1.254 -10.825   3.055
  332   1HD1  LEU  38          1HD1      LEU  38  -0.082 -13.465   2.293
  333   2HD1  LEU  38          2HD1      LEU  38  -1.613 -13.108   3.091
  334   3HD1  LEU  38          3HD1      LEU  38  -0.097 -12.950   3.979
  335   1HD2  LEU  38          1HD2      LEU  38   1.008 -10.958   4.064
  336   2HD2  LEU  38          2HD2      LEU  38   0.870  -9.727   2.809
  337   3HD2  LEU  38          3HD2      LEU  38   1.666 -11.261   2.457
  338    H    GLY  39           H        GLY  39  -3.894 -10.711  -1.022
  339   1HA   GLY  39          2HA       GLY  39  -3.938  -7.947  -0.304
  340   2HA   GLY  39          1HA       GLY  39  -5.099  -8.774  -1.332
  341    H    HIS  40           H        HIS  40  -5.178 -10.627   1.325
  342    HA   HIS  40           HA       HIS  40  -7.531  -9.284   2.331
  343   1HB   HIS  40          2HB       HIS  40  -7.250 -11.829   1.985
  344   2HB   HIS  40          1HB       HIS  40  -6.336 -11.778   3.485
  345    HD1  HIS  40           1HD      HIS  40  -9.807 -11.323   2.142
  346    HD2  HIS  40           2HD      HIS  40  -7.844 -11.495   5.800
  347    HE1  HIS  40           1HE      HIS  40 -11.625 -11.480   3.873
  348    HE2  HIS  40           2HE      HIS  40 -10.415 -11.493   6.083
  349    H    ILE  41           H        ILE  41  -4.228  -9.894   3.250
  350    HA   ILE  41           HA       ILE  41  -4.360  -9.226   5.969
  351    HB   ILE  41           HB       ILE  41  -2.426 -10.261   4.570
  352   1HG1  ILE  41          2HG1      ILE  41  -0.779  -9.571   6.258
  353   2HG1  ILE  41          1HG1      ILE  41  -1.847  -8.264   6.760
  354   1HG2  ILE  41          1HG2      ILE  41  -1.207  -7.558   4.534
  355   2HG2  ILE  41          2HG2      ILE  41  -2.317  -7.983   3.233
  356   3HG2  ILE  41          3HG2      ILE  41  -0.884  -8.961   3.518
  357   1HD1  ILE  41          1HD1      ILE  41  -1.759 -10.850   7.758
  358   2HD1  ILE  41          2HD1      ILE  41  -3.221 -10.793   6.773
  359   3HD1  ILE  41          3HD1      ILE  41  -2.990  -9.628   8.077
  360    H    ILE  42           H        ILE  42  -4.181  -7.318   3.067
  361    HA   ILE  42           HA       ILE  42  -3.729  -4.813   4.421
  362    HB   ILE  42           HB       ILE  42  -4.190  -3.833   2.125
  363   1HG1  ILE  42          2HG1      ILE  42  -4.098  -6.736   1.285
  364   2HG1  ILE  42          1HG1      ILE  42  -5.521  -5.699   1.234
  365   1HG2  ILE  42          1HG2      ILE  42  -1.985  -5.859   2.334
  366   2HG2  ILE  42          2HG2      ILE  42  -1.948  -4.217   2.977
  367   3HG2  ILE  42          3HG2      ILE  42  -2.037  -4.480   1.235
  368   1HD1  ILE  42          1HD1      ILE  42  -4.870  -5.468  -0.908
  369   2HD1  ILE  42          2HD1      ILE  42  -3.178  -5.811  -0.546
  370   3HD1  ILE  42          3HD1      ILE  42  -3.844  -4.213  -0.213
  371    H    SER  43           H        SER  43  -5.215  -3.021   4.343
  372    HA   SER  43           HA       SER  43  -7.909  -3.842   4.910
  373   1HB   SER  43          2HB       SER  43  -7.060  -2.091   6.287
  374   2HB   SER  43          1HB       SER  43  -6.532  -1.153   4.890
  375    HG   SER  43           HG       SER  43  -8.443  -0.279   5.636
  376    H    VAL  44           H        VAL  44  -7.895  -4.727   2.574
  377    HA   VAL  44           HA       VAL  44  -9.020  -2.672   0.786
  378    HB   VAL  44           HB       VAL  44  -7.563  -5.176  -0.069
  379   1HG1  VAL  44          1HG1      VAL  44  -7.470  -3.890  -2.253
  380   2HG1  VAL  44          2HG1      VAL  44  -8.699  -2.831  -1.558
  381   3HG1  VAL  44          3HG1      VAL  44  -9.038  -4.548  -1.784
  382   1HG2  VAL  44          1HG2      VAL  44  -6.600  -2.341   0.172
  383   2HG2  VAL  44          2HG2      VAL  44  -5.774  -3.576  -0.775
  384   3HG2  VAL  44          3HG2      VAL  44  -5.955  -3.773   0.969
  385    H    SER  45           H        SER  45 -10.622  -3.480  -0.760
  386    HA   SER  45           HA       SER  45 -12.258  -5.591   0.456
  387   1HB   SER  45          2HB       SER  45 -12.863  -3.122  -1.082
  388   2HB   SER  45          1HB       SER  45 -13.925  -4.503  -1.353
  389    HG   SER  45           HG       SER  45 -14.826  -3.540   0.355
  390    H    SER  46           H        SER  46 -11.205  -7.375  -0.424
  391    HA   SER  46           HA       SER  46 -11.774  -7.817  -3.268
  392   1HB   SER  46          2HB       SER  46  -9.125  -7.915  -1.926
  393   2HB   SER  46          1HB       SER  46  -9.477  -9.202  -3.079
  394    HG   SER  46           HG       SER  46  -8.480  -7.296  -3.998
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  11.194  -6.103  -1.247
    2   2H    MET   1          2HT       MET   1  10.962  -4.414  -1.049
    3   3H    MET   1          3HT       MET   1  12.412  -5.007  -1.749
    4    HA   MET   1           HA       MET   1   9.708  -4.924  -2.864
    5   1HB   MET   1          2HB       MET   1  12.364  -3.706  -3.339
    6   2HB   MET   1          1HB       MET   1  11.467  -4.158  -4.782
    7   1HG   MET   1          2HG       MET   1  10.682  -2.057  -4.538
    8   2HG   MET   1          1HG       MET   1   9.520  -2.890  -3.508
    9   1HE   MET   1          1HE       MET   1   9.290  -2.822  -1.220
   10   2HE   MET   1          2HE       MET   1   8.880  -1.117  -1.409
   11   3HE   MET   1          3HE       MET   1   9.970  -1.623  -0.119
   12    H    ARG   2           H        ARG   2  12.758  -6.650  -2.868
   13    HA   ARG   2           HA       ARG   2  12.090  -8.204  -5.210
   14   1HB   ARG   2          2HB       ARG   2  14.448  -7.496  -4.350
   15   2HB   ARG   2          1HB       ARG   2  14.297  -8.901  -3.305
   16   1HG   ARG   2          2HG       ARG   2  14.165 -10.375  -5.157
   17   2HG   ARG   2          1HG       ARG   2  13.977  -9.035  -6.291
   18   1HD   ARG   2          2HD       ARG   2  16.192  -8.538  -6.281
   19   2HD   ARG   2          1HD       ARG   2  16.401  -9.016  -4.597
   20    HE   ARG   2           HE       ARG   2  17.070 -11.061  -5.333
   21   1HH1  ARG   2          1HH1      ARG   2  15.159  -9.589  -7.868
   22   2HH1  ARG   2          2HH1      ARG   2  15.430 -10.883  -8.987
   23   1HH2  ARG   2          1HH2      ARG   2  17.421 -12.754  -6.809
   24   2HH2  ARG   2          2HH2      ARG   2  16.711 -12.676  -8.388
   25    H    LYS   3           H        LYS   3  12.524  -8.879  -1.737
   26    HA   LYS   3           HA       LYS   3  10.388 -10.777  -1.739
   27   1HB   LYS   3          2HB       LYS   3  12.694 -11.856  -2.647
   28   2HB   LYS   3          1HB       LYS   3  12.899 -12.109  -0.920
   29   1HG   LYS   3          2HG       LYS   3  11.302 -13.688  -0.825
   30   2HG   LYS   3          1HG       LYS   3  10.268 -12.861  -1.992
   31   1HD   LYS   3          2HD       LYS   3  12.791 -14.325  -2.745
   32   2HD   LYS   3          1HD       LYS   3  11.191 -15.071  -2.757
   33   1HE   LYS   3          2HE       LYS   3  10.602 -14.045  -4.664
   34   2HE   LYS   3          1HE       LYS   3  11.322 -12.513  -4.174
   35   1HZ   LYS   3          1HZ       LYS   3  13.365 -13.101  -5.026
   36   2HZ   LYS   3          2HZ       LYS   3  12.317 -13.795  -6.157
   37   3HZ   LYS   3          3HZ       LYS   3  13.045 -14.762  -4.975
   38    H    LEU   4           H        LEU   4   9.545  -9.710  -0.006
   39    HA   LEU   4           HA       LEU   4  11.103  -9.849   2.494
   40   1HB   LEU   4          2HB       LEU   4   9.016  -7.751   2.147
   41   2HB   LEU   4          1HB       LEU   4  10.443  -7.745   3.162
   42    HG   LEU   4           HG       LEU   4  10.397  -7.340   0.168
   43   1HD1  LEU   4          1HD1      LEU   4  10.805  -5.464   2.484
   44   2HD1  LEU   4          2HD1      LEU   4   9.562  -5.394   1.235
   45   3HD1  LEU   4          3HD1      LEU   4  11.245  -5.071   0.822
   46   1HD2  LEU   4          1HD2      LEU   4  12.645  -7.447   0.115
   47   2HD2  LEU   4          2HD2      LEU   4  12.436  -8.455   1.548
   48   3HD2  LEU   4          3HD2      LEU   4  12.822  -6.743   1.723
   49    H    SER   5           H        SER   5  10.001 -10.470   4.338
   50    HA   SER   5           HA       SER   5   7.812 -12.199   4.043
   51   1HB   SER   5          2HB       SER   5   8.523 -10.834   6.634
   52   2HB   SER   5          1HB       SER   5   7.856 -12.450   6.394
   53    HG   SER   5           HG       SER   5  10.474 -11.551   6.180
   54    H    ASP   6           H        ASP   6   5.652 -11.991   4.991
   55    HA   ASP   6           HA       ASP   6   4.258  -9.782   4.046
   56   1HB   ASP   6          2HB       ASP   6   3.253 -11.348   6.418
   57   2HB   ASP   6          1HB       ASP   6   2.331 -10.622   5.109
   58    H    GLU   7           H        GLU   7   5.928 -10.243   7.061
   59    HA   GLU   7           HA       GLU   7   4.706  -8.091   8.457
   60   1HB   GLU   7          2HB       GLU   7   6.854  -9.989   8.922
   61   2HB   GLU   7          1HB       GLU   7   7.282  -8.388   9.508
   62   1HG   GLU   7          2HG       GLU   7   5.004  -8.406  10.667
   63   2HG   GLU   7          1HG       GLU   7   4.998 -10.139  10.338
   64    H    LEU   8           H        LEU   8   7.470  -8.380   6.339
   65    HA   LEU   8           HA       LEU   8   8.319  -5.655   6.738
   66   1HB   LEU   8          2HB       LEU   8   9.222  -7.950   5.078
   67   2HB   LEU   8          1HB       LEU   8   9.712  -6.334   4.604
   68    HG   LEU   8           HG       LEU   8  11.346  -7.593   6.034
   69   1HD1  LEU   8          1HD1      LEU   8  11.231  -5.092   5.752
   70   2HD1  LEU   8          2HD1      LEU   8  12.051  -5.673   7.201
   71   3HD1  LEU   8          3HD1      LEU   8  10.405  -5.047   7.309
   72   1HD2  LEU   8          1HD2      LEU   8  10.949  -7.713   8.423
   73   2HD2  LEU   8          2HD2      LEU   8   9.721  -8.630   7.551
   74   3HD2  LEU   8          3HD2      LEU   8   9.333  -7.038   8.204
   75    H    LEU   9           H        LEU   9   6.548  -7.492   4.311
   76    HA   LEU   9           HA       LEU   9   6.372  -5.317   2.466
   77   1HB   LEU   9          2HB       LEU   9   6.180  -7.889   2.059
   78   2HB   LEU   9          1HB       LEU   9   4.489  -7.640   2.454
   79    HG   LEU   9           HG       LEU   9   4.329  -5.989   0.613
   80   1HD1  LEU   9          1HD1      LEU   9   6.222  -6.112  -1.086
   81   2HD1  LEU   9          2HD1      LEU   9   7.200  -6.773   0.224
   82   3HD1  LEU   9          3HD1      LEU   9   6.508  -5.158   0.369
   83   1HD2  LEU   9          1HD2      LEU   9   5.417  -8.613  -0.377
   84   2HD2  LEU   9          2HD2      LEU   9   4.200  -7.585  -1.132
   85   3HD2  LEU   9          3HD2      LEU   9   3.824  -8.446   0.360
   86    H    ILE  10           H        ILE  10   4.294  -6.613   4.996
   87    HA   ILE  10           HA       ILE  10   2.085  -4.944   4.295
   88    HB   ILE  10           HB       ILE  10   2.633  -6.533   6.795
   89   1HG1  ILE  10          2HG1      ILE  10   0.598  -7.066   4.641
   90   2HG1  ILE  10          1HG1      ILE  10   2.251  -7.665   4.526
   91   1HG2  ILE  10          1HG2      ILE  10  -0.131  -6.040   6.534
   92   2HG2  ILE  10          2HG2      ILE  10   0.681  -4.484   6.362
   93   3HG2  ILE  10          3HG2      ILE  10   0.959  -5.470   7.797
   94   1HD1  ILE  10          1HD1      ILE  10   0.654  -9.314   5.412
   95   2HD1  ILE  10          2HD1      ILE  10   0.381  -8.253   6.794
   96   3HD1  ILE  10          3HD1      ILE  10   1.974  -8.951   6.520
   97    H    GLU  11           H        GLU  11   4.711  -4.786   6.634
   98    HA   GLU  11           HA       GLU  11   3.830  -2.507   8.018
   99   1HB   GLU  11          2HB       GLU  11   6.424  -3.895   7.647
  100   2HB   GLU  11          1HB       GLU  11   6.490  -2.245   8.229
  101   1HG   GLU  11          2HG       GLU  11   4.545  -3.931   9.616
  102   2HG   GLU  11          1HG       GLU  11   6.220  -4.450   9.792
  103    H    SER  12           H        SER  12   5.373  -2.924   4.924
  104    HA   SER  12           HA       SER  12   6.161  -0.175   4.635
  105   1HB   SER  12          2HB       SER  12   7.034  -2.329   3.387
  106   2HB   SER  12          1HB       SER  12   5.705  -1.980   2.283
  107    HG   SER  12           HG       SER  12   7.433  -0.880   1.498
  108    H    TYR  13           H        TYR  13   3.478  -2.183   3.519
  109    HA   TYR  13           HA       TYR  13   2.163  -0.122   2.066
  110   1HB   TYR  13          2HB       TYR  13   1.804  -2.593   1.747
  111   2HB   TYR  13          1HB       TYR  13   0.927  -2.605   3.272
  112    HD1  TYR  13           1HD      TYR  13  -1.369  -2.477   3.158
  113    HD2  TYR  13           2HD      TYR  13   0.930  -0.696   0.055
  114    HE1  TYR  13           1HE      TYR  13  -3.441  -1.868   1.981
  115    HE2  TYR  13           2HE      TYR  13  -1.135  -0.081  -1.131
  116    HH   TYR  13           HH       TYR  13  -4.161  -1.351  -0.332
  117    H    PHE  14           H        PHE  14   2.014  -1.327   5.358
  118    HA   PHE  14           HA       PHE  14  -0.255   0.248   6.100
  119   1HB   PHE  14          2HB       PHE  14   1.771  -1.342   7.647
  120   2HB   PHE  14          1HB       PHE  14   0.523  -0.413   8.455
  121    HD1  PHE  14           1HD      PHE  14  -0.062  -2.652   9.469
  122    HD2  PHE  14           2HD      PHE  14  -0.513  -1.850   5.309
  123    HE1  PHE  14           1HE      PHE  14  -1.589  -4.571   9.262
  124    HE2  PHE  14           2HE      PHE  14  -2.040  -3.765   5.102
  125    HZ   PHE  14           HZ       PHE  14  -2.578  -5.138   7.075
  126    H    LYS  15           H        LYS  15   3.242   0.576   6.352
  127    HA   LYS  15           HA       LYS  15   3.253   2.913   7.948
  128   1HB   LYS  15          2HB       LYS  15   5.251   1.578   6.161
  129   2HB   LYS  15          1HB       LYS  15   5.581   3.186   6.775
  130   1HG   LYS  15          2HG       LYS  15   4.895   0.863   8.554
  131   2HG   LYS  15          1HG       LYS  15   6.547   1.296   8.109
  132   1HD   LYS  15          2HD       LYS  15   6.508   2.614   9.918
  133   2HD   LYS  15          1HD       LYS  15   5.508   3.695   8.947
  134   1HE   LYS  15          2HE       LYS  15   3.544   2.224   9.797
  135   2HE   LYS  15          1HE       LYS  15   4.684   1.728  11.047
  136   1HZ   LYS  15          1HZ       LYS  15   4.604   4.572  10.692
  137   2HZ   LYS  15          2HZ       LYS  15   4.444   3.656  12.105
  138   3HZ   LYS  15          3HZ       LYS  15   3.096   3.935  11.122
  139    H    ALA  16           H        ALA  16   3.722   2.458   4.453
  140    HA   ALA  16           HA       ALA  16   3.825   5.160   3.773
  141   1HB   ALA  16          1HB       ALA  16   3.129   2.697   2.215
  142   2HB   ALA  16          2HB       ALA  16   4.595   3.675   2.148
  143   3HB   ALA  16          3HB       ALA  16   3.088   4.297   1.474
  144    H    THR  17           H        THR  17   1.076   3.058   4.324
  145    HA   THR  17           HA       THR  17  -0.850   4.778   3.129
  146    HB   THR  17           HB       THR  17  -2.442   3.435   4.671
  147    HG1  THR  17           1HG      THR  17  -1.600   1.762   5.726
  148   1HG2  THR  17          1HG2      THR  17  -2.674   2.545   2.635
  149   2HG2  THR  17          2HG2      THR  17  -1.684   1.243   3.295
  150   3HG2  THR  17          3HG2      THR  17  -0.936   2.517   2.333
  151    H    GLU  18           H        GLU  18   0.604   4.537   6.301
  152    HA   GLU  18           HA       GLU  18  -1.236   6.344   7.553
  153   1HB   GLU  18          2HB       GLU  18   1.059   4.732   8.353
  154   2HB   GLU  18          1HB       GLU  18   1.020   6.296   9.154
  155   1HG   GLU  18          2HG       GLU  18  -1.495   5.647   9.567
  156   2HG   GLU  18          1HG       GLU  18  -0.870   4.013   9.346
  157    H    MET  19           H        MET  19   2.088   6.591   6.370
  158    HA   MET  19           HA       MET  19   2.255   9.394   6.996
  159   1HB   MET  19          2HB       MET  19   4.474   9.265   6.059
  160   2HB   MET  19          1HB       MET  19   4.211   7.899   7.125
  161   1HG   MET  19          2HG       MET  19   3.966   6.416   5.302
  162   2HG   MET  19          1HG       MET  19   3.881   7.742   4.146
  163   1HE   MET  19          1HE       MET  19   7.413   5.321   4.755
  164   2HE   MET  19          2HE       MET  19   5.735   5.028   4.303
  165   3HE   MET  19          3HE       MET  19   6.167   5.237   5.999
  166    H    ASN  20           H        ASN  20   1.076   7.581   4.354
  167    HA   ASN  20           HA       ASN  20   0.124   8.230   2.390
  168   1HB   ASN  20          2HB       ASN  20   0.973  11.069   2.925
  169   2HB   ASN  20          1HB       ASN  20  -0.346  10.505   1.906
  170   1HD2  ASN  20          1HD2      ASN  20  -2.226   9.674   2.901
  171   2HD2  ASN  20          2HD2      ASN  20  -2.640  10.112   4.520
  172    H    LEU  21           H        LEU  21   2.714   7.256   2.569
  173    HA   LEU  21           HA       LEU  21   4.711   8.653   1.232
  174   1HB   LEU  21          2HB       LEU  21   4.662   6.316   2.427
  175   2HB   LEU  21          1HB       LEU  21   4.336   5.709   0.818
  176    HG   LEU  21           HG       LEU  21   6.701   7.480   1.269
  177   1HD1  LEU  21          1HD1      LEU  21   7.772   4.985   1.448
  178   2HD1  LEU  21          2HD1      LEU  21   6.300   4.815   2.405
  179   3HD1  LEU  21          3HD1      LEU  21   7.478   6.063   2.811
  180   1HD2  LEU  21          1HD2      LEU  21   5.626   5.914  -0.877
  181   2HD2  LEU  21          2HD2      LEU  21   7.218   5.291  -0.445
  182   3HD2  LEU  21          3HD2      LEU  21   7.025   6.988  -0.878
  183    H    ASN  22           H        ASN  22   5.524   8.300  -0.986
  184    HA   ASN  22           HA       ASN  22   3.912   9.113  -2.987
  185   1HB   ASN  22          2HB       ASN  22   6.445   8.695  -3.004
  186   2HB   ASN  22          1HB       ASN  22   6.047   7.070  -3.554
  187   1HD2  ASN  22          1HD2      ASN  22   5.812  10.481  -4.318
  188   2HD2  ASN  22          2HD2      ASN  22   5.612  10.278  -6.022
  189    H    ARG  23           H        ARG  23   2.457   8.329  -4.402
  190    HA   ARG  23           HA       ARG  23   0.961   6.067  -3.829
  191   1HB   ARG  23          2HB       ARG  23   0.236   8.014  -5.220
  192   2HB   ARG  23          1HB       ARG  23   1.210   7.375  -6.536
  193   1HG   ARG  23          2HG       ARG  23  -0.673   6.360  -7.170
  194   2HG   ARG  23          1HG       ARG  23  -0.304   5.210  -5.884
  195   1HD   ARG  23          2HD       ARG  23  -2.024   5.901  -4.622
  196   2HD   ARG  23          1HD       ARG  23  -1.701   7.602  -4.952
  197    HE   ARG  23           HE       ARG  23  -2.852   6.235  -7.189
  198   1HH1  ARG  23          1HH1      ARG  23  -3.596   7.853  -4.177
  199   2HH1  ARG  23          2HH1      ARG  23  -5.208   8.264  -4.659
  200   1HH2  ARG  23          1HH2      ARG  23  -4.968   6.780  -7.812
  201   2HH2  ARG  23          2HH2      ARG  23  -5.986   7.656  -6.718
  202    H    ASP  24           H        ASP  24   3.763   6.402  -5.906
  203    HA   ASP  24           HA       ASP  24   3.477   3.960  -7.274
  204   1HB   ASP  24          2HB       ASP  24   5.173   6.060  -7.508
  205   2HB   ASP  24          1HB       ASP  24   6.235   4.888  -6.733
  206    H    PHE  25           H        PHE  25   4.903   4.768  -4.172
  207    HA   PHE  25           HA       PHE  25   6.106   2.200  -3.778
  208   1HB   PHE  25          2HB       PHE  25   6.658   4.505  -2.642
  209   2HB   PHE  25          1HB       PHE  25   5.389   4.037  -1.516
  210    HD1  PHE  25           1HD      PHE  25   8.194   2.223  -3.185
  211    HD2  PHE  25           2HD      PHE  25   6.255   3.265   0.457
  212    HE1  PHE  25           1HE      PHE  25   9.816   0.859  -1.936
  213    HE2  PHE  25           2HE      PHE  25   7.874   1.902   1.714
  214    HZ   PHE  25           HZ       PHE  25   9.658   0.698   0.517
  215    H    ILE  26           H        ILE  26   3.171   3.830  -2.674
  216    HA   ILE  26           HA       ILE  26   2.176   1.746  -1.071
  217    HB   ILE  26           HB       ILE  26   0.757   3.976  -2.540
  218   1HG1  ILE  26          2HG1      ILE  26   1.599   3.603   0.341
  219   2HG1  ILE  26          1HG1      ILE  26   2.279   4.742  -0.814
  220   1HG2  ILE  26          1HG2      ILE  26  -0.384   2.123  -0.442
  221   2HG2  ILE  26          2HG2      ILE  26  -0.823   2.143  -2.150
  222   3HG2  ILE  26          3HG2      ILE  26  -1.194   3.531  -1.128
  223   1HD1  ILE  26          1HD1      ILE  26  -0.298   4.848   0.665
  224   2HD1  ILE  26          2HD1      ILE  26  -0.172   5.647  -0.902
  225   3HD1  ILE  26          3HD1      ILE  26   0.913   6.105   0.411
  226    H    GLU  27           H        GLU  27   1.771   2.502  -4.511
  227    HA   GLU  27           HA       GLU  27  -0.035   0.338  -4.991
  228   1HB   GLU  27          2HB       GLU  27   0.559   2.572  -6.376
  229   2HB   GLU  27          1HB       GLU  27   1.579   1.425  -7.229
  230   1HG   GLU  27          2HG       GLU  27  -0.229   1.028  -8.466
  231   2HG   GLU  27          1HG       GLU  27  -0.779   0.070  -7.091
  232    H    LEU  28           H        LEU  28   3.416   0.812  -5.124
  233    HA   LEU  28           HA       LEU  28   4.058  -1.581  -6.505
  234   1HB   LEU  28          2HB       LEU  28   5.724   0.051  -6.555
  235   2HB   LEU  28          1HB       LEU  28   5.553   0.421  -4.854
  236    HG   LEU  28           HG       LEU  28   6.662  -2.237  -5.664
  237   1HD1  LEU  28          1HD1      LEU  28   8.921  -0.899  -5.321
  238   2HD1  LEU  28          2HD1      LEU  28   7.949   0.419  -5.975
  239   3HD1  LEU  28          3HD1      LEU  28   8.167  -1.061  -6.907
  240   1HD2  LEU  28          1HD2      LEU  28   6.411  -2.181  -3.384
  241   2HD2  LEU  28          2HD2      LEU  28   6.691  -0.442  -3.287
  242   3HD2  LEU  28          3HD2      LEU  28   8.047  -1.541  -3.543
  243    H    ILE  29           H        ILE  29   3.925  -0.709  -3.066
  244    HA   ILE  29           HA       ILE  29   4.729  -3.263  -2.124
  245    HB   ILE  29           HB       ILE  29   3.098  -1.173  -0.667
  246   1HG1  ILE  29          2HG1      ILE  29   6.022  -1.510  -0.218
  247   2HG1  ILE  29          1HG1      ILE  29   5.520  -0.683  -1.688
  248   1HG2  ILE  29          1HG2      ILE  29   4.806  -3.423   0.386
  249   2HG2  ILE  29          2HG2      ILE  29   3.044  -3.375   0.384
  250   3HG2  ILE  29          3HG2      ILE  29   3.954  -2.224   1.358
  251   1HD1  ILE  29          1HD1      ILE  29   5.148   1.181  -0.560
  252   2HD1  ILE  29          2HD1      ILE  29   5.799   0.392   0.875
  253   3HD1  ILE  29          3HD1      ILE  29   4.066   0.346   0.554
  254    H    GLU  30           H        GLU  30   1.668  -1.822  -3.008
  255    HA   GLU  30           HA       GLU  30   0.061  -3.934  -1.909
  256   1HB   GLU  30          2HB       GLU  30  -0.593  -1.462  -2.464
  257   2HB   GLU  30          1HB       GLU  30  -0.885  -2.093  -4.078
  258   1HG   GLU  30          2HG       GLU  30  -2.100  -3.679  -1.949
  259   2HG   GLU  30          1HG       GLU  30  -2.702  -2.025  -2.048
  260    H    ASN  31           H        ASN  31   1.548  -3.196  -4.986
  261    HA   ASN  31           HA       ASN  31   0.148  -5.097  -6.544
  262   1HB   ASN  31          2HB       ASN  31   2.669  -3.521  -6.859
  263   2HB   ASN  31          1HB       ASN  31   2.373  -4.859  -7.963
  264   1HD2  ASN  31          1HD2      ASN  31   2.554  -2.596  -9.186
  265   2HD2  ASN  31          2HD2      ASN  31   1.020  -1.938  -9.629
  266    H    GLU  32           H        GLU  32   2.974  -5.288  -4.492
  267    HA   GLU  32           HA       GLU  32   3.713  -7.929  -5.393
  268   1HB   GLU  32          2HB       GLU  32   5.384  -6.315  -4.498
  269   2HB   GLU  32          1HB       GLU  32   4.602  -6.414  -2.926
  270   1HG   GLU  32          2HG       GLU  32   5.312  -8.602  -2.574
  271   2HG   GLU  32          1HG       GLU  32   5.651  -8.866  -4.283
  272    H    ILE  33           H        ILE  33   2.162  -6.487  -2.576
  273    HA   ILE  33           HA       ILE  33   1.685  -8.877  -1.152
  274    HB   ILE  33           HB       ILE  33   0.237  -6.214  -1.112
  275   1HG1  ILE  33          2HG1      ILE  33   2.179  -7.320   0.907
  276   2HG1  ILE  33          1HG1      ILE  33   2.693  -6.347  -0.466
  277   1HG2  ILE  33          1HG2      ILE  33   0.104  -8.269   1.075
  278   2HG2  ILE  33          2HG2      ILE  33  -1.101  -8.185  -0.209
  279   3HG2  ILE  33          3HG2      ILE  33  -0.869  -6.815   0.870
  280   1HD1  ILE  33          1HD1      ILE  33   1.259  -4.517   0.330
  281   2HD1  ILE  33          2HD1      ILE  33   2.497  -4.973   1.501
  282   3HD1  ILE  33          3HD1      ILE  33   0.828  -5.493   1.733
  283    H    LYS  34           H        LYS  34   0.024  -7.251  -3.777
  284    HA   LYS  34           HA       LYS  34  -2.400  -8.742  -3.598
  285   1HB   LYS  34          2HB       LYS  34  -1.172  -6.822  -5.492
  286   2HB   LYS  34          1HB       LYS  34  -2.361  -7.923  -6.173
  287   1HG   LYS  34          2HG       LYS  34  -3.115  -6.567  -3.662
  288   2HG   LYS  34          1HG       LYS  34  -2.991  -5.559  -5.104
  289   1HD   LYS  34          2HD       LYS  34  -4.568  -6.959  -6.274
  290   2HD   LYS  34          1HD       LYS  34  -4.609  -8.098  -4.926
  291   1HE   LYS  34          2HE       LYS  34  -5.504  -6.285  -3.490
  292   2HE   LYS  34          1HE       LYS  34  -5.565  -5.238  -4.907
  293   1HZ   LYS  34          1HZ       LYS  34  -6.908  -7.843  -5.022
  294   2HZ   LYS  34          2HZ       LYS  34  -7.303  -6.394  -5.800
  295   3HZ   LYS  34          3HZ       LYS  34  -7.649  -6.592  -4.157
  296    H    ARG  35           H        ARG  35   0.468  -8.970  -5.691
  297    HA   ARG  35           HA       ARG  35  -0.430 -11.314  -7.036
  298   1HB   ARG  35          2HB       ARG  35   1.253  -9.735  -7.964
  299   2HB   ARG  35          1HB       ARG  35   2.394 -10.273  -6.739
  300   1HG   ARG  35          2HG       ARG  35   1.179 -12.382  -8.407
  301   2HG   ARG  35          1HG       ARG  35   2.295 -11.281  -9.216
  302   1HD   ARG  35          2HD       ARG  35   3.439 -12.041  -6.720
  303   2HD   ARG  35          1HD       ARG  35   2.889 -13.499  -7.545
  304    HE   ARG  35           HE       ARG  35   5.104 -11.855  -8.264
  305   1HH1  ARG  35          1HH1      ARG  35   2.631 -13.947  -9.587
  306   2HH1  ARG  35          2HH1      ARG  35   3.558 -14.351 -10.992
  307   1HH2  ARG  35          1HH2      ARG  35   6.313 -12.394 -10.113
  308   2HH2  ARG  35          2HH2      ARG  35   5.643 -13.471 -11.291
  309    H    ARG  36           H        ARG  36   1.127 -10.729  -4.008
  310    HA   ARG  36           HA       ARG  36   2.171 -13.400  -3.723
  311   1HB   ARG  36          2HB       ARG  36   2.137 -10.915  -2.078
  312   2HB   ARG  36          1HB       ARG  36   2.430 -12.443  -1.266
  313   1HG   ARG  36          2HG       ARG  36   4.034 -12.134  -3.671
  314   2HG   ARG  36          1HG       ARG  36   4.314 -10.851  -2.493
  315   1HD   ARG  36          2HD       ARG  36   5.821 -12.403  -1.755
  316   2HD   ARG  36          1HD       ARG  36   4.408 -12.878  -0.813
  317    HE   ARG  36           HE       ARG  36   4.301 -14.325  -3.166
  318   1HH1  ARG  36          1HH1      ARG  36   6.488 -14.035  -0.450
  319   2HH1  ARG  36          2HH1      ARG  36   7.055 -15.666  -0.581
  320   1HH2  ARG  36          1HH2      ARG  36   5.053 -16.465  -3.328
  321   2HH2  ARG  36          2HH2      ARG  36   6.243 -17.042  -2.210
  322    H    SER  37           H        SER  37  -0.929 -12.433  -3.738
  323    HA   SER  37           HA       SER  37  -2.865 -13.265  -2.876
  324   1HB   SER  37          2HB       SER  37  -1.799 -15.454  -3.402
  325   2HB   SER  37          1HB       SER  37  -1.112 -15.480  -1.779
  326    HG   SER  37           HG       SER  37  -2.931 -16.303  -1.162
  327    H    LEU  38           H        LEU  38  -1.345 -11.364  -1.422
  328    HA   LEU  38           HA       LEU  38  -2.141 -11.981   1.355
  329   1HB   LEU  38          2HB       LEU  38   0.339 -11.847   0.840
  330   2HB   LEU  38          1HB       LEU  38   0.091 -10.146   0.508
  331    HG   LEU  38           HG       LEU  38  -0.901 -10.075   2.909
  332   1HD1  LEU  38          1HD1      LEU  38   0.539 -11.797   4.276
  333   2HD1  LEU  38          2HD1      LEU  38   0.402 -12.744   2.795
  334   3HD1  LEU  38          3HD1      LEU  38  -1.051 -12.231   3.652
  335   1HD2  LEU  38          1HD2      LEU  38   1.529  -9.450   1.829
  336   2HD2  LEU  38          2HD2      LEU  38   1.982 -10.522   3.154
  337   3HD2  LEU  38          3HD2      LEU  38   1.025  -9.079   3.476
  338    H    GLY  39           H        GLY  39  -3.550 -10.594  -0.979
  339   1HA   GLY  39          2HA       GLY  39  -3.676  -7.818  -0.246
  340   2HA   GLY  39          1HA       GLY  39  -4.712  -8.643  -1.402
  341    H    HIS  40           H        HIS  40  -4.891 -10.494   1.311
  342    HA   HIS  40           HA       HIS  40  -7.415  -9.271   2.069
  343   1HB   HIS  40          2HB       HIS  40  -7.652 -11.341   3.487
  344   2HB   HIS  40          1HB       HIS  40  -7.495 -11.651   1.762
  345    HD1  HIS  40           1HD      HIS  40  -5.850 -13.398   1.171
  346    HD2  HIS  40           2HD      HIS  40  -5.008 -11.663   4.851
  347    HE1  HIS  40           1HE      HIS  40  -3.878 -14.668   2.077
  348    HE2  HIS  40           2HE      HIS  40  -3.344 -13.557   4.275
  349    H    ILE  41           H        ILE  41  -4.185  -9.782   3.292
  350    HA   ILE  41           HA       ILE  41  -4.643  -9.202   6.007
  351    HB   ILE  41           HB       ILE  41  -2.520 -10.138   4.794
  352   1HG1  ILE  41          2HG1      ILE  41  -1.114  -9.512   6.685
  353   2HG1  ILE  41          1HG1      ILE  41  -2.237  -8.222   7.108
  354   1HG2  ILE  41          1HG2      ILE  41  -2.209  -8.032   3.437
  355   2HG2  ILE  41          2HG2      ILE  41  -0.777  -8.645   4.256
  356   3HG2  ILE  41          3HG2      ILE  41  -1.649  -7.267   4.922
  357   1HD1  ILE  41          1HD1      ILE  41  -3.464 -10.862   6.877
  358   2HD1  ILE  41          2HD1      ILE  41  -3.633  -9.634   8.131
  359   3HD1  ILE  41          3HD1      ILE  41  -2.250 -10.728   8.148
  360    H    ILE  42           H        ILE  42  -4.012  -7.239   3.196
  361    HA   ILE  42           HA       ILE  42  -3.762  -4.737   4.520
  362    HB   ILE  42           HB       ILE  42  -4.225  -3.787   2.212
  363   1HG1  ILE  42          2HG1      ILE  42  -4.118  -6.701   1.408
  364   2HG1  ILE  42          1HG1      ILE  42  -5.550  -5.680   1.342
  365   1HG2  ILE  42          1HG2      ILE  42  -1.969  -4.381   3.204
  366   2HG2  ILE  42          2HG2      ILE  42  -2.060  -4.205   1.451
  367   3HG2  ILE  42          3HG2      ILE  42  -2.023  -5.813   2.176
  368   1HD1  ILE  42          1HD1      ILE  42  -3.161  -5.742  -0.405
  369   2HD1  ILE  42          2HD1      ILE  42  -3.954  -4.188  -0.142
  370   3HD1  ILE  42          3HD1      ILE  42  -4.865  -5.540  -0.814
  371    H    SER  43           H        SER  43  -5.294  -2.905   4.115
  372    HA   SER  43           HA       SER  43  -7.975  -3.751   4.818
  373   1HB   SER  43          2HB       SER  43  -6.794  -1.840   5.968
  374   2HB   SER  43          1HB       SER  43  -6.948  -0.924   4.469
  375    HG   SER  43           HG       SER  43  -8.852  -0.412   5.171
  376    H    VAL  44           H        VAL  44  -7.790  -4.724   2.464
  377    HA   VAL  44           HA       VAL  44  -9.055  -2.804   0.621
  378    HB   VAL  44           HB       VAL  44  -7.403  -5.197  -0.185
  379   1HG1  VAL  44          1HG1      VAL  44  -7.342  -3.801  -2.351
  380   2HG1  VAL  44          2HG1      VAL  44  -8.745  -2.977  -1.670
  381   3HG1  VAL  44          3HG1      VAL  44  -8.801  -4.714  -1.968
  382   1HG2  VAL  44          1HG2      VAL  44  -5.909  -3.692   0.892
  383   2HG2  VAL  44          2HG2      VAL  44  -6.618  -2.305   0.066
  384   3HG2  VAL  44          3HG2      VAL  44  -5.694  -3.498  -0.848
  385    H    SER  45           H        SER  45 -10.556  -3.781  -0.938
  386    HA   SER  45           HA       SER  45 -12.081  -5.929   0.335
  387   1HB   SER  45          2HB       SER  45 -13.760  -5.207  -1.553
  388   2HB   SER  45          1HB       SER  45 -13.563  -4.200  -0.119
  389    HG   SER  45           HG       SER  45 -13.231  -2.727  -1.611
  390    H    SER  46           H        SER  46 -10.841  -7.705  -0.283
  391    HA   SER  46           HA       SER  46 -11.257  -8.538  -3.051
  392   1HB   SER  46          2HB       SER  46  -8.917  -9.342  -3.235
  393   2HB   SER  46          1HB       SER  46  -9.010  -7.589  -3.072
  394    HG   SER  46           HG       SER  46  -7.599  -9.193  -1.606
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   8.354  -6.532  -1.908
    2   2H    MET   1          2HT       MET   1   8.822  -5.327  -0.777
    3   3H    MET   1          3HT       MET   1   9.468  -6.913  -0.663
    4    HA   MET   1           HA       MET   1   9.865  -5.111  -2.946
    5   1HB   MET   1          2HB       MET   1  10.800  -4.637  -0.471
    6   2HB   MET   1          1HB       MET   1  12.050  -5.735  -1.037
    7   1HG   MET   1          2HG       MET   1  13.011  -3.890  -1.839
    8   2HG   MET   1          1HG       MET   1  11.837  -4.041  -3.145
    9   1HE   MET   1          1HE       MET   1   8.957  -1.724  -1.564
   10   2HE   MET   1          2HE       MET   1   9.278  -3.292  -0.825
   11   3HE   MET   1          3HE       MET   1   9.254  -3.133  -2.581
   12    H    ARG   2           H        ARG   2  12.587  -6.030  -3.195
   13    HA   ARG   2           HA       ARG   2  12.384  -8.083  -4.982
   14   1HB   ARG   2          2HB       ARG   2  14.422  -6.568  -4.080
   15   2HB   ARG   2          1HB       ARG   2  14.846  -8.104  -3.336
   16   1HG   ARG   2          2HG       ARG   2  14.772  -9.175  -5.547
   17   2HG   ARG   2          1HG       ARG   2  14.402  -7.610  -6.274
   18   1HD   ARG   2          2HD       ARG   2  16.646  -7.099  -4.744
   19   2HD   ARG   2          1HD       ARG   2  16.951  -8.709  -5.396
   20    HE   ARG   2           HE       ARG   2  16.092  -7.205  -7.528
   21   1HH1  ARG   2          1HH1      ARG   2  18.730  -7.020  -5.236
   22   2HH1  ARG   2          2HH1      ARG   2  19.797  -6.230  -6.346
   23   1HH2  ARG   2          1HH2      ARG   2  17.503  -6.165  -8.979
   24   2HH2  ARG   2          2HH2      ARG   2  19.102  -5.744  -8.466
   25    H    LYS   3           H        LYS   3  12.728  -8.347  -1.490
   26    HA   LYS   3           HA       LYS   3  11.563 -10.891  -1.358
   27   1HB   LYS   3          2HB       LYS   3  13.895 -11.372  -2.388
   28   2HB   LYS   3          1HB       LYS   3  14.505 -11.063  -0.768
   29   1HG   LYS   3          2HG       LYS   3  13.341 -12.900   0.133
   30   2HG   LYS   3          1HG       LYS   3  12.344 -13.074  -1.312
   31   1HD   LYS   3          2HD       LYS   3  14.312 -13.729  -2.600
   32   2HD   LYS   3          1HD       LYS   3  15.324 -13.529  -1.169
   33   1HE   LYS   3          2HE       LYS   3  14.580 -15.448  -0.204
   34   2HE   LYS   3          1HE       LYS   3  12.975 -15.315  -0.921
   35   1HZ   LYS   3          1HZ       LYS   3  15.361 -16.606  -1.947
   36   2HZ   LYS   3          2HZ       LYS   3  14.465 -15.736  -3.089
   37   3HZ   LYS   3          3HZ       LYS   3  13.730 -16.977  -2.206
   38    H    LEU   4           H        LEU   4  10.537  -9.445   0.212
   39    HA   LEU   4           HA       LEU   4  12.004  -9.425   2.769
   40   1HB   LEU   4          2HB       LEU   4   9.831  -7.449   2.215
   41   2HB   LEU   4          1HB       LEU   4  11.159  -7.345   3.352
   42    HG   LEU   4           HG       LEU   4  11.215  -6.857   0.379
   43   1HD1  LEU   4          1HD1      LEU   4  12.206  -4.712   1.135
   44   2HD1  LEU   4          2HD1      LEU   4  11.921  -5.209   2.803
   45   3HD1  LEU   4          3HD1      LEU   4  10.559  -4.970   1.709
   46   1HD2  LEU   4          1HD2      LEU   4  13.342  -7.914   2.055
   47   2HD2  LEU   4          2HD2      LEU   4  13.774  -6.360   1.345
   48   3HD2  LEU   4          3HD2      LEU   4  13.284  -7.697   0.307
   49    H    SER   5           H        SER   5  10.712  -9.673   4.680
   50    HA   SER   5           HA       SER   5   8.803 -11.721   4.515
   51   1HB   SER   5          2HB       SER   5   9.003  -9.824   6.845
   52   2HB   SER   5          1HB       SER   5   8.596 -11.540   6.860
   53    HG   SER   5           HG       SER   5  10.769 -11.953   6.205
   54    H    ASP   6           H        ASP   6   6.551 -11.720   4.872
   55    HA   ASP   6           HA       ASP   6   5.137  -9.658   3.581
   56   1HB   ASP   6          2HB       ASP   6   3.674 -11.368   5.556
   57   2HB   ASP   6          1HB       ASP   6   3.198 -10.850   3.948
   58    H    GLU   7           H        GLU   7   5.989 -10.193   6.919
   59    HA   GLU   7           HA       GLU   7   4.215  -8.335   8.073
   60   1HB   GLU   7          2HB       GLU   7   6.407  -9.983   8.941
   61   2HB   GLU   7          1HB       GLU   7   6.590  -8.370   9.617
   62   1HG   GLU   7          2HG       GLU   7   5.369  -9.581  11.202
   63   2HG   GLU   7          1HG       GLU   7   4.187  -8.564  10.380
   64    H    LEU   8           H        LEU   8   7.448  -8.025   6.730
   65    HA   LEU   8           HA       LEU   8   7.628  -5.223   7.394
   66   1HB   LEU   8          2HB       LEU   8   9.351  -7.179   5.951
   67   2HB   LEU   8          1HB       LEU   8   9.617  -5.466   5.679
   68    HG   LEU   8           HG       LEU   8   9.671  -5.349   8.295
   69   1HD1  LEU   8          1HD1      LEU   8   9.986  -8.251   7.701
   70   2HD1  LEU   8          2HD1      LEU   8   9.127  -7.457   9.021
   71   3HD1  LEU   8          3HD1      LEU   8  10.889  -7.530   9.032
   72   1HD2  LEU   8          1HD2      LEU   8  11.625  -4.676   7.379
   73   2HD2  LEU   8          2HD2      LEU   8  11.744  -6.081   6.321
   74   3HD2  LEU   8          3HD2      LEU   8  12.175  -6.222   8.026
   75    H    LEU   9           H        LEU   9   6.966  -7.167   4.523
   76    HA   LEU   9           HA       LEU   9   6.843  -5.057   2.667
   77   1HB   LEU   9          2HB       LEU   9   6.980  -7.344   1.913
   78   2HB   LEU   9          1HB       LEU   9   5.480  -7.749   2.723
   79    HG   LEU   9           HG       LEU   9   4.455  -5.955   1.104
   80   1HD1  LEU   9          1HD1      LEU   9   5.563  -5.566  -0.898
   81   2HD1  LEU   9          2HD1      LEU   9   6.694  -6.894  -0.644
   82   3HD1  LEU   9          3HD1      LEU   9   6.845  -5.414   0.304
   83   1HD2  LEU   9          1HD2      LEU   9   5.303  -8.715   0.236
   84   2HD2  LEU   9          2HD2      LEU   9   4.067  -7.740  -0.558
   85   3HD2  LEU   9          3HD2      LEU   9   3.827  -8.287   1.101
   86    H    ILE  10           H        ILE  10   4.421  -6.535   4.751
   87    HA   ILE  10           HA       ILE  10   2.298  -4.882   3.807
   88    HB   ILE  10           HB       ILE  10   2.494  -6.574   6.296
   89   1HG1  ILE  10          2HG1      ILE  10   0.834  -7.213   3.897
   90   2HG1  ILE  10          1HG1      ILE  10   2.568  -7.505   3.828
   91   1HG2  ILE  10          1HG2      ILE  10   0.807  -4.790   6.526
   92   2HG2  ILE  10          2HG2      ILE  10   0.075  -6.392   6.445
   93   3HG2  ILE  10          3HG2      ILE  10   0.047  -5.338   5.032
   94   1HD1  ILE  10          1HD1      ILE  10   2.355  -9.366   4.980
   95   2HD1  ILE  10          2HD1      ILE  10   0.611  -9.171   4.859
   96   3HD1  ILE  10          3HD1      ILE  10   1.469  -8.541   6.260
   97    H    GLU  11           H        GLU  11   4.636  -4.764   6.409
   98    HA   GLU  11           HA       GLU  11   3.508  -2.646   7.883
   99   1HB   GLU  11          2HB       GLU  11   6.067  -4.046   7.779
  100   2HB   GLU  11          1HB       GLU  11   6.271  -2.346   8.143
  101   1HG   GLU  11          2HG       GLU  11   6.074  -3.791  10.141
  102   2HG   GLU  11          1HG       GLU  11   4.865  -2.510  10.062
  103    H    SER  12           H        SER  12   5.309  -2.749   4.899
  104    HA   SER  12           HA       SER  12   5.963   0.046   4.869
  105   1HB   SER  12          2HB       SER  12   6.937  -2.041   3.484
  106   2HB   SER  12          1HB       SER  12   5.747  -1.472   2.313
  107    HG   SER  12           HG       SER  12   7.706  -0.428   1.958
  108    H    TYR  13           H        TYR  13   3.499  -2.006   3.357
  109    HA   TYR  13           HA       TYR  13   2.150   0.046   1.967
  110   1HB   TYR  13          2HB       TYR  13   1.821  -2.375   1.532
  111   2HB   TYR  13          1HB       TYR  13   1.014  -2.529   3.086
  112    HD1  TYR  13           1HD      TYR  13  -1.292  -2.343   3.179
  113    HD2  TYR  13           2HD      TYR  13   0.781  -0.605  -0.105
  114    HE1  TYR  13           1HE      TYR  13  -3.442  -1.778   2.129
  115    HE2  TYR  13           2HE      TYR  13  -1.364  -0.034  -1.164
  116    HH   TYR  13           HH       TYR  13  -4.363  -1.265  -0.026
  117    H    PHE  14           H        PHE  14   1.874  -1.253   5.214
  118    HA   PHE  14           HA       PHE  14  -0.440   0.257   5.933
  119   1HB   PHE  14          2HB       PHE  14   1.613  -1.267   7.514
  120   2HB   PHE  14          1HB       PHE  14   0.300  -0.408   8.293
  121    HD1  PHE  14           1HD      PHE  14  -0.231  -2.643   9.289
  122    HD2  PHE  14           2HD      PHE  14  -0.541  -1.904   5.105
  123    HE1  PHE  14           1HE      PHE  14  -1.648  -4.638   9.040
  124    HE2  PHE  14           2HE      PHE  14  -1.958  -3.895   4.855
  125    HZ   PHE  14           HZ       PHE  14  -2.510  -5.272   6.820
  126    H    LYS  15           H        LYS  15   3.019   0.557   6.651
  127    HA   LYS  15           HA       LYS  15   2.875   2.939   8.129
  128   1HB   LYS  15          2HB       LYS  15   5.064   1.621   6.545
  129   2HB   LYS  15          1HB       LYS  15   5.321   3.173   7.319
  130   1HG   LYS  15          2HG       LYS  15   4.429   0.694   8.772
  131   2HG   LYS  15          1HG       LYS  15   6.107   1.224   8.641
  132   1HD   LYS  15          2HD       LYS  15   5.733   2.376  10.520
  133   2HD   LYS  15          1HD       LYS  15   4.805   3.490   9.517
  134   1HE   LYS  15          2HE       LYS  15   2.778   2.149   9.971
  135   2HE   LYS  15          1HE       LYS  15   3.728   1.117  11.039
  136   1HZ   LYS  15          1HZ       LYS  15   3.433   4.044  11.427
  137   2HZ   LYS  15          2HZ       LYS  15   4.099   2.926  12.509
  138   3HZ   LYS  15          3HZ       LYS  15   2.440   2.897  12.178
  139    H    ALA  16           H        ALA  16   3.352   2.332   4.684
  140    HA   ALA  16           HA       ALA  16   3.819   4.977   3.899
  141   1HB   ALA  16          1HB       ALA  16   3.053   4.149   1.631
  142   2HB   ALA  16          2HB       ALA  16   2.766   2.592   2.407
  143   3HB   ALA  16          3HB       ALA  16   4.392   3.274   2.375
  144    H    THR  17           H        THR  17   0.793   3.175   4.266
  145    HA   THR  17           HA       THR  17  -0.857   5.155   3.098
  146    HB   THR  17           HB       THR  17  -2.713   4.006   4.275
  147    HG1  THR  17           1HG      THR  17  -0.701   2.324   5.340
  148   1HG2  THR  17          1HG2      THR  17  -1.754   1.559   3.483
  149   2HG2  THR  17          2HG2      THR  17  -0.852   2.696   2.482
  150   3HG2  THR  17          3HG2      THR  17  -2.616   2.720   2.473
  151    H    GLU  18           H        GLU  18   0.453   4.699   6.305
  152    HA   GLU  18           HA       GLU  18  -1.202   6.657   7.564
  153   1HB   GLU  18          2HB       GLU  18   0.988   4.875   8.343
  154   2HB   GLU  18          1HB       GLU  18   0.994   6.413   9.195
  155   1HG   GLU  18          2HG       GLU  18  -0.555   5.639  10.562
  156   2HG   GLU  18          1HG       GLU  18  -1.668   5.505   9.202
  157    H    MET  19           H        MET  19   2.156   6.640   6.438
  158    HA   MET  19           HA       MET  19   2.530   9.414   7.095
  159   1HB   MET  19          2HB       MET  19   4.752   9.123   6.249
  160   2HB   MET  19          1HB       MET  19   4.343   7.731   7.231
  161   1HG   MET  19          2HG       MET  19   3.972   6.398   5.269
  162   2HG   MET  19          1HG       MET  19   4.213   7.798   4.228
  163   1HE   MET  19          1HE       MET  19   5.764   4.797   4.285
  164   2HE   MET  19          2HE       MET  19   5.736   4.864   6.047
  165   3HE   MET  19          3HE       MET  19   7.277   4.821   5.191
  166    H    ASN  20           H        ASN  20   1.214   7.758   4.436
  167    HA   ASN  20           HA       ASN  20   0.337   8.513   2.475
  168   1HB   ASN  20          2HB       ASN  20   1.500  11.240   3.007
  169   2HB   ASN  20          1HB       ASN  20   0.123  10.826   1.993
  170   1HD2  ASN  20          1HD2      ASN  20  -1.629   9.593   3.290
  171   2HD2  ASN  20          2HD2      ASN  20  -2.066  10.319   4.796
  172    H    LEU  21           H        LEU  21   2.828   7.276   2.683
  173    HA   LEU  21           HA       LEU  21   4.949   8.448   1.321
  174   1HB   LEU  21          2HB       LEU  21   4.675   6.148   2.557
  175   2HB   LEU  21          1HB       LEU  21   4.292   5.550   0.956
  176    HG   LEU  21           HG       LEU  21   6.828   7.071   1.453
  177   1HD1  LEU  21          1HD1      LEU  21   6.131   4.370   2.379
  178   2HD1  LEU  21          2HD1      LEU  21   7.371   5.488   2.948
  179   3HD1  LEU  21          3HD1      LEU  21   7.659   4.509   1.511
  180   1HD2  LEU  21          1HD2      LEU  21   7.125   4.946  -0.380
  181   2HD2  LEU  21          2HD2      LEU  21   7.096   6.675  -0.720
  182   3HD2  LEU  21          3HD2      LEU  21   5.602   5.742  -0.775
  183    H    ASN  22           H        ASN  22   5.701   8.097  -0.885
  184    HA   ASN  22           HA       ASN  22   4.065   8.948  -2.872
  185   1HB   ASN  22          2HB       ASN  22   6.626   8.470  -2.862
  186   2HB   ASN  22          1HB       ASN  22   6.163   6.913  -3.543
  187   1HD2  ASN  22          1HD2      ASN  22   5.284  10.326  -3.989
  188   2HD2  ASN  22          2HD2      ASN  22   5.373  10.297  -5.714
  189    H    ARG  23           H        ARG  23   2.501   8.186  -4.143
  190    HA   ARG  23           HA       ARG  23   1.110   5.859  -3.590
  191   1HB   ARG  23          2HB       ARG  23   0.456   7.964  -4.980
  192   2HB   ARG  23          1HB       ARG  23   1.069   7.038  -6.344
  193   1HG   ARG  23          2HG       ARG  23  -0.696   5.413  -4.766
  194   2HG   ARG  23          1HG       ARG  23  -1.486   6.931  -5.194
  195   1HD   ARG  23          2HD       ARG  23  -0.016   5.348  -7.266
  196   2HD   ARG  23          1HD       ARG  23  -1.657   4.901  -6.803
  197    HE   ARG  23           HE       ARG  23  -0.910   7.038  -8.490
  198   1HH1  ARG  23          1HH1      ARG  23  -3.196   6.238  -5.965
  199   2HH1  ARG  23          2HH1      ARG  23  -4.383   7.371  -6.516
  200   1HH2  ARG  23          1HH2      ARG  23  -2.476   8.524  -9.206
  201   2HH2  ARG  23          2HH2      ARG  23  -3.976   8.666  -8.353
  202    H    ASP  24           H        ASP  24   3.879   6.301  -5.645
  203    HA   ASP  24           HA       ASP  24   3.557   3.951  -7.183
  204   1HB   ASP  24          2HB       ASP  24   5.920   5.701  -6.548
  205   2HB   ASP  24          1HB       ASP  24   6.113   4.219  -7.481
  206    H    PHE  25           H        PHE  25   5.072   4.608  -4.082
  207    HA   PHE  25           HA       PHE  25   6.206   1.987  -3.831
  208   1HB   PHE  25          2HB       PHE  25   6.890   4.227  -2.637
  209   2HB   PHE  25          1HB       PHE  25   5.650   3.761  -1.477
  210    HD1  PHE  25           1HD      PHE  25   8.126   1.701  -3.341
  211    HD2  PHE  25           2HD      PHE  25   6.755   3.096   0.438
  212    HE1  PHE  25           1HE      PHE  25   9.745   0.229  -2.216
  213    HE2  PHE  25           2HE      PHE  25   8.374   1.627   1.572
  214    HZ   PHE  25           HZ       PHE  25   9.871   0.192   0.243
  215    H    ILE  26           H        ILE  26   3.321   3.670  -2.742
  216    HA   ILE  26           HA       ILE  26   2.279   1.640  -1.089
  217    HB   ILE  26           HB       ILE  26   0.862   3.808  -2.650
  218   1HG1  ILE  26          2HG1      ILE  26   1.718   3.644   0.246
  219   2HG1  ILE  26          1HG1      ILE  26   2.462   4.644  -0.997
  220   1HG2  ILE  26          1HG2      ILE  26  -0.181   1.646  -0.963
  221   2HG2  ILE  26          2HG2      ILE  26  -1.000   2.642  -2.164
  222   3HG2  ILE  26          3HG2      ILE  26  -0.765   3.251  -0.527
  223   1HD1  ILE  26          1HD1      ILE  26   0.404   5.928  -1.200
  224   2HD1  ILE  26          2HD1      ILE  26   1.013   5.947   0.454
  225   3HD1  ILE  26          3HD1      ILE  26  -0.353   4.916   0.029
  226    H    GLU  27           H        GLU  27   1.753   2.425  -4.516
  227    HA   GLU  27           HA       GLU  27  -0.009   0.248  -4.985
  228   1HB   GLU  27          2HB       GLU  27   0.640   2.478  -6.386
  229   2HB   GLU  27          1HB       GLU  27   1.583   1.279  -7.257
  230   1HG   GLU  27          2HG       GLU  27  -0.415   1.330  -8.415
  231   2HG   GLU  27          1HG       GLU  27  -0.598  -0.069  -7.358
  232    H    LEU  28           H        LEU  28   3.445   0.696  -5.140
  233    HA   LEU  28           HA       LEU  28   4.069  -1.697  -6.517
  234   1HB   LEU  28          2HB       LEU  28   5.746  -0.065  -6.528
  235   2HB   LEU  28          1HB       LEU  28   5.587   0.250  -4.814
  236    HG   LEU  28           HG       LEU  28   6.636  -2.406  -5.698
  237   1HD1  LEU  28          1HD1      LEU  28   8.034  -1.061  -7.006
  238   2HD1  LEU  28          2HD1      LEU  28   8.940  -1.308  -5.514
  239   3HD1  LEU  28          3HD1      LEU  28   8.094   0.214  -5.789
  240   1HD2  LEU  28          1HD2      LEU  28   8.062  -1.828  -3.595
  241   2HD2  LEU  28          2HD2      LEU  28   6.388  -2.348  -3.405
  242   3HD2  LEU  28          3HD2      LEU  28   6.797  -0.636  -3.298
  243    H    ILE  29           H        ILE  29   3.950  -0.853  -3.071
  244    HA   ILE  29           HA       ILE  29   4.670  -3.451  -2.168
  245    HB   ILE  29           HB       ILE  29   3.153  -1.317  -0.656
  246   1HG1  ILE  29          2HG1      ILE  29   6.060  -1.740  -0.236
  247   2HG1  ILE  29          1HG1      ILE  29   5.593  -0.940  -1.732
  248   1HG2  ILE  29          1HG2      ILE  29   4.786  -3.660   0.311
  249   2HG2  ILE  29          2HG2      ILE  29   3.031  -3.506   0.389
  250   3HG2  ILE  29          3HG2      ILE  29   4.054  -2.426   1.336
  251   1HD1  ILE  29          1HD1      ILE  29   5.480   0.959  -0.608
  252   2HD1  ILE  29          2HD1      ILE  29   5.761   0.119   0.917
  253   3HD1  ILE  29          3HD1      ILE  29   4.119   0.300   0.300
  254    H    GLU  30           H        GLU  30   1.669  -1.861  -2.998
  255    HA   GLU  30           HA       GLU  30  -0.017  -3.915  -1.902
  256   1HB   GLU  30          2HB       GLU  30  -0.571  -1.408  -2.416
  257   2HB   GLU  30          1HB       GLU  30  -0.916  -2.007  -4.031
  258   1HG   GLU  30          2HG       GLU  30  -2.397  -3.737  -2.776
  259   2HG   GLU  30          1HG       GLU  30  -2.322  -2.564  -1.462
  260    H    ASN  31           H        ASN  31   1.504  -3.217  -4.967
  261    HA   ASN  31           HA       ASN  31   0.004  -5.067  -6.519
  262   1HB   ASN  31          2HB       ASN  31   2.524  -3.505  -6.898
  263   2HB   ASN  31          1HB       ASN  31   2.190  -4.838  -7.998
  264   1HD2  ASN  31          1HD2      ASN  31  -0.391  -4.755  -8.491
  265   2HD2  ASN  31          2HD2      ASN  31  -0.871  -3.242  -9.172
  266    H    GLU  32           H        GLU  32   2.796  -5.328  -4.450
  267    HA   GLU  32           HA       GLU  32   3.557  -7.929  -5.443
  268   1HB   GLU  32          2HB       GLU  32   5.099  -6.173  -4.338
  269   2HB   GLU  32          1HB       GLU  32   4.428  -6.739  -2.815
  270   1HG   GLU  32          2HG       GLU  32   6.227  -8.095  -2.899
  271   2HG   GLU  32          1HG       GLU  32   5.119  -9.092  -3.842
  272    H    ILE  33           H        ILE  33   1.984  -6.589  -2.589
  273    HA   ILE  33           HA       ILE  33   1.492  -9.031  -1.268
  274    HB   ILE  33           HB       ILE  33  -0.039  -6.422  -1.129
  275   1HG1  ILE  33          2HG1      ILE  33   1.991  -7.393   0.860
  276   2HG1  ILE  33          1HG1      ILE  33   2.491  -6.514  -0.580
  277   1HG2  ILE  33          1HG2      ILE  33  -1.222  -7.180   0.662
  278   2HG2  ILE  33          2HG2      ILE  33   0.057  -8.275   1.184
  279   3HG2  ILE  33          3HG2      ILE  33  -0.994  -8.725  -0.157
  280   1HD1  ILE  33          1HD1      ILE  33   0.571  -5.501   1.503
  281   2HD1  ILE  33          2HD1      ILE  33   1.140  -4.616   0.088
  282   3HD1  ILE  33          3HD1      ILE  33   2.272  -5.058   1.366
  283    H    LYS  34           H        LYS  34  -0.163  -7.290  -3.823
  284    HA   LYS  34           HA       LYS  34  -2.593  -8.765  -3.718
  285   1HB   LYS  34          2HB       LYS  34  -1.332  -6.799  -5.531
  286   2HB   LYS  34          1HB       LYS  34  -2.476  -7.895  -6.292
  287   1HG   LYS  34          2HG       LYS  34  -4.169  -7.230  -4.621
  288   2HG   LYS  34          1HG       LYS  34  -3.018  -6.062  -3.967
  289   1HD   LYS  34          2HD       LYS  34  -2.903  -5.246  -6.455
  290   2HD   LYS  34          1HD       LYS  34  -4.471  -6.049  -6.576
  291   1HE   LYS  34          2HE       LYS  34  -5.094  -4.708  -4.479
  292   2HE   LYS  34          1HE       LYS  34  -3.672  -3.733  -4.842
  293   1HZ   LYS  34          1HZ       LYS  34  -6.196  -3.958  -6.314
  294   2HZ   LYS  34          2HZ       LYS  34  -4.785  -3.640  -7.190
  295   3HZ   LYS  34          3HZ       LYS  34  -5.272  -2.584  -5.962
  296    H    ARG  35           H        ARG  35   0.314  -8.986  -5.755
  297    HA   ARG  35           HA       ARG  35  -0.580 -11.295  -7.167
  298   1HB   ARG  35          2HB       ARG  35   1.267  -9.533  -7.770
  299   2HB   ARG  35          1HB       ARG  35   2.319 -10.608  -6.861
  300   1HG   ARG  35          2HG       ARG  35   2.620 -11.615  -8.835
  301   2HG   ARG  35          1HG       ARG  35   1.065 -12.377  -8.486
  302   1HD   ARG  35          2HD       ARG  35   0.180 -10.121  -9.601
  303   2HD   ARG  35          1HD       ARG  35   1.745 -10.222 -10.405
  304    HE   ARG  35           HE       ARG  35   0.715 -12.708 -10.718
  305   1HH1  ARG  35          1HH1      ARG  35  -0.504  -9.504 -11.424
  306   2HH1  ARG  35          2HH1      ARG  35  -1.467 -10.037 -12.762
  307   1HH2  ARG  35          1HH2      ARG  35  -0.552 -13.396 -12.477
  308   2HH2  ARG  35          2HH2      ARG  35  -1.494 -12.241 -13.358
  309    H    ARG  36           H        ARG  36   0.971 -10.771  -4.117
  310    HA   ARG  36           HA       ARG  36   2.013 -13.441  -3.868
  311   1HB   ARG  36          2HB       ARG  36   1.887 -11.014  -2.135
  312   2HB   ARG  36          1HB       ARG  36   2.191 -12.569  -1.379
  313   1HG   ARG  36          2HG       ARG  36   4.082 -12.868  -3.017
  314   2HG   ARG  36          1HG       ARG  36   3.845 -11.177  -3.464
  315   1HD   ARG  36          2HD       ARG  36   4.543 -10.398  -1.403
  316   2HD   ARG  36          1HD       ARG  36   4.178 -11.919  -0.590
  317    HE   ARG  36           HE       ARG  36   6.627 -11.199  -1.898
  318   1HH1  ARG  36          1HH1      ARG  36   4.605 -13.890  -0.942
  319   2HH1  ARG  36          2HH1      ARG  36   5.918 -15.018  -0.910
  320   1HH2  ARG  36          1HH2      ARG  36   8.343 -12.688  -1.852
  321   2HH2  ARG  36          2HH2      ARG  36   8.036 -14.338  -1.424
  322    H    SER  37           H        SER  37  -1.105 -12.427  -3.880
  323    HA   SER  37           HA       SER  37  -3.057 -13.310  -3.125
  324   1HB   SER  37          2HB       SER  37  -1.946 -15.470  -3.748
  325   2HB   SER  37          1HB       SER  37  -1.370 -15.601  -2.086
  326    HG   SER  37           HG       SER  37  -3.413 -15.894  -1.386
  327    H    LEU  38           H        LEU  38  -1.544 -11.511  -1.503
  328    HA   LEU  38           HA       LEU  38  -2.461 -12.308   1.191
  329   1HB   LEU  38          2HB       LEU  38   0.090 -12.056   0.625
  330   2HB   LEU  38          1HB       LEU  38  -0.254 -10.343   0.768
  331    HG   LEU  38           HG       LEU  38  -1.209 -10.879   3.069
  332   1HD1  LEU  38          1HD1      LEU  38   0.045 -13.496   2.343
  333   2HD1  LEU  38          2HD1      LEU  38  -1.519 -13.178   3.091
  334   3HD1  LEU  38          3HD1      LEU  38  -0.037 -12.967   4.024
  335   1HD2  LEU  38          1HD2      LEU  38   0.896  -9.741   2.806
  336   2HD2  LEU  38          2HD2      LEU  38   1.720 -11.265   2.480
  337   3HD2  LEU  38          3HD2      LEU  38   1.051 -10.950   4.080
  338    H    GLY  39           H        GLY  39  -3.868 -10.854  -0.983
  339   1HA   GLY  39          2HA       GLY  39  -3.948  -8.077  -0.323
  340   2HA   GLY  39          1HA       GLY  39  -5.111  -8.948  -1.314
  341    H    HIS  40           H        HIS  40  -5.120 -10.744   1.380
  342    HA   HIS  40           HA       HIS  40  -7.478  -9.418   2.395
  343   1HB   HIS  40          2HB       HIS  40  -7.198 -11.955   2.087
  344   2HB   HIS  40          1HB       HIS  40  -6.220 -11.887   3.544
  345    HD1  HIS  40           1HD      HIS  40  -9.730 -11.743   2.351
  346    HD2  HIS  40           2HD      HIS  40  -7.648 -11.321   5.922
  347    HE1  HIS  40           1HE      HIS  40 -11.474 -11.833   4.162
  348    HE2  HIS  40           2HE      HIS  40 -10.187 -11.618   6.316
  349    H    ILE  41           H        ILE  41  -4.157  -9.973   3.286
  350    HA   ILE  41           HA       ILE  41  -4.274  -9.262   5.997
  351    HB   ILE  41           HB       ILE  41  -2.341 -10.301   4.601
  352   1HG1  ILE  41          2HG1      ILE  41  -0.680  -9.548   6.259
  353   2HG1  ILE  41          1HG1      ILE  41  -1.785  -8.272   6.763
  354   1HG2  ILE  41          1HG2      ILE  41  -1.153  -7.586   4.507
  355   2HG2  ILE  41          2HG2      ILE  41  -2.257  -8.057   3.217
  356   3HG2  ILE  41          3HG2      ILE  41  -0.810  -9.008   3.524
  357   1HD1  ILE  41          1HD1      ILE  41  -1.618 -10.887   7.730
  358   2HD1  ILE  41          2HD1      ILE  41  -3.122 -10.803   6.811
  359   3HD1  ILE  41          3HD1      ILE  41  -2.827  -9.666   8.127
  360    H    ILE  42           H        ILE  42  -4.108  -7.399   3.060
  361    HA   ILE  42           HA       ILE  42  -3.667  -4.870   4.356
  362    HB   ILE  42           HB       ILE  42  -4.192  -3.936   2.057
  363   1HG1  ILE  42          2HG1      ILE  42  -4.103  -6.852   1.267
  364   2HG1  ILE  42          1HG1      ILE  42  -5.534  -5.828   1.235
  365   1HG2  ILE  42          1HG2      ILE  42  -2.056  -4.533   1.145
  366   2HG2  ILE  42          2HG2      ILE  42  -1.975  -5.953   2.189
  367   3HG2  ILE  42          3HG2      ILE  42  -1.924  -4.336   2.893
  368   1HD1  ILE  42          1HD1      ILE  42  -3.913  -4.354  -0.283
  369   2HD1  ILE  42          2HD1      ILE  42  -4.941  -5.635  -0.927
  370   3HD1  ILE  42          3HD1      ILE  42  -3.236  -5.952  -0.603
  371    H    SER  43           H        SER  43  -5.172  -3.070   4.204
  372    HA   SER  43           HA       SER  43  -7.840  -3.893   4.901
  373   1HB   SER  43          2HB       SER  43  -6.677  -2.026   6.073
  374   2HB   SER  43          1HB       SER  43  -6.738  -1.089   4.580
  375    HG   SER  43           HG       SER  43  -9.090  -1.435   4.715
  376    H    VAL  44           H        VAL  44  -7.858  -4.864   2.589
  377    HA   VAL  44           HA       VAL  44  -9.079  -2.895   0.769
  378    HB   VAL  44           HB       VAL  44  -7.584  -5.393  -0.043
  379   1HG1  VAL  44          1HG1      VAL  44  -9.245  -4.746  -1.665
  380   2HG1  VAL  44          2HG1      VAL  44  -7.638  -4.364  -2.282
  381   3HG1  VAL  44          3HG1      VAL  44  -8.665  -3.081  -1.641
  382   1HG2  VAL  44          1HG2      VAL  44  -5.983  -3.912   0.889
  383   2HG2  VAL  44          2HG2      VAL  44  -6.696  -2.525   0.072
  384   3HG2  VAL  44          3HG2      VAL  44  -5.865  -3.766  -0.864
  385    H    SER  45           H        SER  45 -10.855  -3.610  -0.487
  386    HA   SER  45           HA       SER  45 -12.263  -5.892   0.710
  387   1HB   SER  45          2HB       SER  45 -13.148  -3.334  -0.543
  388   2HB   SER  45          1HB       SER  45 -14.204  -4.738  -0.702
  389    HG   SER  45           HG       SER  45 -13.961  -4.924   1.655
  390    H    SER  46           H        SER  46 -11.286  -7.540  -0.467
  391    HA   SER  46           HA       SER  46 -11.814  -7.532  -3.365
  392   1HB   SER  46          2HB       SER  46 -10.074  -9.556  -3.126
  393   2HB   SER  46          1HB       SER  46  -9.551  -7.883  -3.325
  394    HG   SER  46           HG       SER  46  -9.129  -9.545  -1.263
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  11.519  -4.043  -0.794
    2   2H    MET   1          2HT       MET   1  13.136  -4.423  -1.224
    3   3H    MET   1          3HT       MET   1  12.022  -5.679  -0.871
    4    HA   MET   1           HA       MET   1  10.670  -4.752  -2.763
    5   1HB   MET   1          2HB       MET   1  13.265  -3.293  -2.952
    6   2HB   MET   1          1HB       MET   1  12.505  -3.809  -4.451
    7   1HG   MET   1          2HG       MET   1  11.759  -1.624  -4.104
    8   2HG   MET   1          1HG       MET   1  10.411  -2.651  -3.619
    9   1HE   MET   1          1HE       MET   1  10.065  -2.658  -0.125
   10   2HE   MET   1          2HE       MET   1   9.455  -2.923  -1.757
   11   3HE   MET   1          3HE       MET   1   9.162  -1.385  -0.945
   12    H    ARG   2           H        ARG   2  13.825  -6.115  -2.128
   13    HA   ARG   2           HA       ARG   2  13.799  -7.790  -4.483
   14   1HB   ARG   2          2HB       ARG   2  15.852  -6.807  -3.185
   15   2HB   ARG   2          1HB       ARG   2  15.643  -8.221  -2.161
   16   1HG   ARG   2          2HG       ARG   2  17.237  -8.849  -3.750
   17   2HG   ARG   2          1HG       ARG   2  15.732  -9.592  -4.299
   18   1HD   ARG   2          2HD       ARG   2  15.471  -7.417  -5.693
   19   2HD   ARG   2          1HD       ARG   2  17.203  -7.239  -5.420
   20    HE   ARG   2           HE       ARG   2  16.699  -9.833  -6.352
   21   1HH1  ARG   2          1HH1      ARG   2  16.619  -6.532  -7.506
   22   2HH1  ARG   2          2HH1      ARG   2  16.939  -6.974  -9.149
   23   1HH2  ARG   2          1HH2      ARG   2  17.119 -10.402  -8.512
   24   2HH2  ARG   2          2HH2      ARG   2  17.222  -9.165  -9.720
   25    H    LYS   3           H        LYS   3  13.598  -8.325  -0.965
   26    HA   LYS   3           HA       LYS   3  11.664 -10.381  -1.237
   27   1HB   LYS   3          2HB       LYS   3  14.483 -11.154  -1.287
   28   2HB   LYS   3          1HB       LYS   3  13.581 -11.959  -0.012
   29   1HG   LYS   3          2HG       LYS   3  12.380 -13.202  -1.455
   30   2HG   LYS   3          1HG       LYS   3  12.290 -11.915  -2.659
   31   1HD   LYS   3          2HD       LYS   3  13.734 -13.214  -3.799
   32   2HD   LYS   3          1HD       LYS   3  14.935 -12.493  -2.728
   33   1HE   LYS   3          2HE       LYS   3  13.482 -14.926  -1.815
   34   2HE   LYS   3          1HE       LYS   3  14.751 -15.106  -3.025
   35   1HZ   LYS   3          1HZ       LYS   3  16.006 -15.278  -1.169
   36   2HZ   LYS   3          2HZ       LYS   3  14.957 -14.356  -0.215
   37   3HZ   LYS   3          3HZ       LYS   3  16.020 -13.590  -1.284
   38    H    LEU   4           H        LEU   4  10.609  -9.167   0.326
   39    HA   LEU   4           HA       LEU   4  11.813  -9.240   3.019
   40   1HB   LEU   4          2HB       LEU   4   9.621  -7.335   2.326
   41   2HB   LEU   4          1HB       LEU   4  10.862  -7.199   3.556
   42    HG   LEU   4           HG       LEU   4  11.197  -6.766   0.587
   43   1HD1  LEU   4          1HD1      LEU   4  12.078  -4.528   1.685
   44   2HD1  LEU   4          2HD1      LEU   4  10.977  -5.015   2.974
   45   3HD1  LEU   4          3HD1      LEU   4  10.367  -4.782   1.336
   46   1HD2  LEU   4          1HD2      LEU   4  13.277  -7.552   0.953
   47   2HD2  LEU   4          2HD2      LEU   4  13.163  -7.351   2.701
   48   3HD2  LEU   4          3HD2      LEU   4  13.537  -5.965   1.676
   49    H    SER   5           H        SER   5  10.531  -9.884   4.741
   50    HA   SER   5           HA       SER   5   8.583 -11.837   4.246
   51   1HB   SER   5          2HB       SER   5   9.147 -10.273   6.774
   52   2HB   SER   5          1HB       SER   5   8.139 -11.718   6.692
   53    HG   SER   5           HG       SER   5  10.129 -12.440   7.241
   54    H    ASP   6           H        ASP   6   6.311 -11.822   4.915
   55    HA   ASP   6           HA       ASP   6   4.861  -9.752   3.707
   56   1HB   ASP   6          2HB       ASP   6   3.521 -11.307   5.885
   57   2HB   ASP   6          1HB       ASP   6   2.922 -10.841   4.303
   58    H    GLU   7           H        GLU   7   6.110 -10.088   6.924
   59    HA   GLU   7           HA       GLU   7   4.482  -8.055   8.098
   60   1HB   GLU   7          2HB       GLU   7   6.541  -9.883   8.960
   61   2HB   GLU   7          1HB       GLU   7   6.879  -8.271   9.573
   62   1HG   GLU   7          2HG       GLU   7   4.279  -8.421  10.171
   63   2HG   GLU   7          1HG       GLU   7   4.690 -10.134  10.231
   64    H    LEU   8           H        LEU   8   7.570  -8.183   6.479
   65    HA   LEU   8           HA       LEU   8   8.254  -5.447   7.059
   66   1HB   LEU   8          2HB       LEU   8   9.450  -7.653   5.458
   67   2HB   LEU   8          1HB       LEU   8   9.950  -6.005   5.124
   68    HG   LEU   8           HG       LEU   8  11.423  -7.248   6.707
   69   1HD1  LEU   8          1HD1      LEU   8  10.134  -4.649   7.328
   70   2HD1  LEU   8          2HD1      LEU   8  11.794  -5.003   6.847
   71   3HD1  LEU   8          3HD1      LEU   8  11.261  -5.339   8.496
   72   1HD2  LEU   8          1HD2      LEU   8  10.676  -7.518   9.020
   73   2HD2  LEU   8          2HD2      LEU   8   9.714  -8.496   7.910
   74   3HD2  LEU   8          3HD2      LEU   8   9.058  -6.991   8.554
   75    H    LEU   9           H        LEU   9   6.860  -7.264   4.401
   76    HA   LEU   9           HA       LEU   9   6.838  -5.072   2.565
   77   1HB   LEU   9          2HB       LEU   9   6.903  -7.331   1.724
   78   2HB   LEU   9          1HB       LEU   9   5.418  -7.730   2.565
   79    HG   LEU   9           HG       LEU   9   4.339  -5.907   1.079
   80   1HD1  LEU   9          1HD1      LEU   9   5.485  -5.767  -1.152
   81   2HD1  LEU   9          2HD1      LEU   9   6.922  -6.429  -0.373
   82   3HD1  LEU   9          3HD1      LEU   9   6.268  -4.878   0.156
   83   1HD2  LEU   9          1HD2      LEU   9   3.740  -8.197   0.832
   84   2HD2  LEU   9          2HD2      LEU   9   5.276  -8.579   0.055
   85   3HD2  LEU   9          3HD2      LEU   9   4.090  -7.575  -0.780
   86    H    ILE  10           H        ILE  10   4.395  -6.652   4.587
   87    HA   ILE  10           HA       ILE  10   2.296  -4.948   3.769
   88    HB   ILE  10           HB       ILE  10   2.544  -6.648   6.246
   89   1HG1  ILE  10          2HG1      ILE  10   0.872  -7.179   3.804
   90   2HG1  ILE  10          1HG1      ILE  10   2.566  -7.655   3.867
   91   1HG2  ILE  10          1HG2      ILE  10   0.891  -4.807   6.507
   92   2HG2  ILE  10          2HG2      ILE  10   0.161  -6.413   6.529
   93   3HG2  ILE  10          3HG2      ILE  10   0.049  -5.413   5.081
   94   1HD1  ILE  10          1HD1      ILE  10   0.586  -9.259   4.583
   95   2HD1  ILE  10          2HD1      ILE  10   0.867  -8.464   6.130
   96   3HD1  ILE  10          3HD1      ILE  10   2.180  -9.321   5.327
   97    H    GLU  11           H        GLU  11   4.694  -4.773   6.317
   98    HA   GLU  11           HA       GLU  11   3.558  -2.660   7.792
   99   1HB   GLU  11          2HB       GLU  11   6.274  -3.823   7.503
  100   2HB   GLU  11          1HB       GLU  11   6.164  -2.221   8.203
  101   1HG   GLU  11          2HG       GLU  11   4.313  -4.219   9.310
  102   2HG   GLU  11          1HG       GLU  11   6.025  -4.504   9.619
  103    H    SER  12           H        SER  12   5.315  -2.767   4.787
  104    HA   SER  12           HA       SER  12   5.949   0.023   4.705
  105   1HB   SER  12          2HB       SER  12   5.660  -1.533   2.177
  106   2HB   SER  12          1HB       SER  12   6.934  -0.419   2.672
  107    HG   SER  12           HG       SER  12   7.558  -2.674   2.609
  108    H    TYR  13           H        TYR  13   3.416  -2.031   3.326
  109    HA   TYR  13           HA       TYR  13   2.046   0.022   1.942
  110   1HB   TYR  13          2HB       TYR  13   1.707  -2.418   1.551
  111   2HB   TYR  13          1HB       TYR  13   0.897  -2.525   3.108
  112    HD1  TYR  13           1HD      TYR  13  -1.407  -2.420   3.124
  113    HD2  TYR  13           2HD      TYR  13   0.703  -0.545  -0.058
  114    HE1  TYR  13           1HE      TYR  13  -3.545  -1.842   2.055
  115    HE2  TYR  13           2HE      TYR  13  -1.429   0.040  -1.135
  116    HH   TYR  13           HH       TYR  13  -3.736  -0.668  -1.156
  117    H    PHE  14           H        PHE  14   1.856  -1.260   5.201
  118    HA   PHE  14           HA       PHE  14  -0.426   0.261   5.981
  119   1HB   PHE  14          2HB       PHE  14   1.669  -1.249   7.520
  120   2HB   PHE  14          1HB       PHE  14   0.358  -0.404   8.317
  121    HD1  PHE  14           1HD      PHE  14   0.474  -3.039   9.059
  122    HD2  PHE  14           2HD      PHE  14  -1.120  -1.522   5.411
  123    HE1  PHE  14           1HE      PHE  14  -0.925  -5.050   8.833
  124    HE2  PHE  14           2HE      PHE  14  -2.519  -3.530   5.185
  125    HZ   PHE  14           HZ       PHE  14  -2.422  -5.301   6.894
  126    H    LYS  15           H        LYS  15   3.064   0.604   6.482
  127    HA   LYS  15           HA       LYS  15   2.935   2.976   8.000
  128   1HB   LYS  15          2HB       LYS  15   5.079   1.608   6.418
  129   2HB   LYS  15          1HB       LYS  15   5.359   3.229   7.033
  130   1HG   LYS  15          2HG       LYS  15   4.672   2.286   9.310
  131   2HG   LYS  15          1HG       LYS  15   4.890   0.699   8.569
  132   1HD   LYS  15          2HD       LYS  15   7.045   2.767   8.372
  133   2HD   LYS  15          1HD       LYS  15   6.870   1.802   9.839
  134   1HE   LYS  15          2HE       LYS  15   7.039  -0.247   8.487
  135   2HE   LYS  15          1HE       LYS  15   7.265   0.740   7.043
  136   1HZ   LYS  15          1HZ       LYS  15   9.176   1.719   8.611
  137   2HZ   LYS  15          2HZ       LYS  15   9.423   0.432   7.542
  138   3HZ   LYS  15          3HZ       LYS  15   9.133   0.126   9.180
  139    H    ALA  16           H        ALA  16   3.393   2.383   4.539
  140    HA   ALA  16           HA       ALA  16   3.749   5.035   3.739
  141   1HB   ALA  16          1HB       ALA  16   4.282   3.237   2.244
  142   2HB   ALA  16          2HB       ALA  16   3.041   4.241   1.493
  143   3HB   ALA  16          3HB       ALA  16   2.604   2.697   2.226
  144    H    THR  17           H        THR  17   0.792   3.176   4.263
  145    HA   THR  17           HA       THR  17  -0.946   5.122   3.141
  146    HB   THR  17           HB       THR  17  -2.727   3.906   4.402
  147    HG1  THR  17           1HG      THR  17  -1.771   3.155   6.196
  148   1HG2  THR  17          1HG2      THR  17  -1.867   1.525   3.439
  149   2HG2  THR  17          2HG2      THR  17  -0.904   2.658   2.490
  150   3HG2  THR  17          3HG2      THR  17  -2.663   2.775   2.482
  151    H    GLU  18           H        GLU  18   0.477   4.655   6.296
  152    HA   GLU  18           HA       GLU  18  -1.188   6.581   7.610
  153   1HB   GLU  18          2HB       GLU  18   0.897   4.705   8.352
  154   2HB   GLU  18          1HB       GLU  18   1.095   6.248   9.172
  155   1HG   GLU  18          2HG       GLU  18  -0.844   6.033  10.352
  156   2HG   GLU  18          1HG       GLU  18  -1.603   5.007   9.134
  157    H    MET  19           H        MET  19   2.127   6.577   6.373
  158    HA   MET  19           HA       MET  19   2.529   9.332   7.118
  159   1HB   MET  19          2HB       MET  19   4.743   9.057   6.277
  160   2HB   MET  19          1HB       MET  19   4.334   7.616   7.186
  161   1HG   MET  19          2HG       MET  19   3.987   6.376   5.172
  162   2HG   MET  19          1HG       MET  19   4.178   7.825   4.190
  163   1HE   MET  19          1HE       MET  19   5.942   4.874   5.977
  164   2HE   MET  19          2HE       MET  19   7.311   4.876   4.866
  165   3HE   MET  19          3HE       MET  19   5.665   4.836   4.236
  166    H    ASN  20           H        ASN  20   1.221   7.709   4.421
  167    HA   ASN  20           HA       ASN  20   0.306   8.506   2.493
  168   1HB   ASN  20          2HB       ASN  20   1.447  11.236   3.048
  169   2HB   ASN  20          1HB       ASN  20   0.039  10.818   2.079
  170   1HD2  ASN  20          1HD2      ASN  20   1.153  11.803   5.093
  171   2HD2  ASN  20          2HD2      ASN  20  -0.323  11.632   5.976
  172    H    LEU  21           H        LEU  21   2.853   7.327   2.687
  173    HA   LEU  21           HA       LEU  21   4.915   8.570   1.296
  174   1HB   LEU  21          2HB       LEU  21   4.739   6.267   2.542
  175   2HB   LEU  21          1HB       LEU  21   4.351   5.649   0.950
  176    HG   LEU  21           HG       LEU  21   6.843   7.255   1.398
  177   1HD1  LEU  21          1HD1      LEU  21   6.251   4.547   2.361
  178   2HD1  LEU  21          2HD1      LEU  21   7.481   5.699   2.879
  179   3HD1  LEU  21          3HD1      LEU  21   7.749   4.710   1.444
  180   1HD2  LEU  21          1HD2      LEU  21   7.084   6.864  -0.779
  181   2HD2  LEU  21          2HD2      LEU  21   5.630   5.868  -0.805
  182   3HD2  LEU  21          3HD2      LEU  21   7.192   5.141  -0.431
  183    H    ASN  22           H        ASN  22   5.651   8.235  -0.919
  184    HA   ASN  22           HA       ASN  22   3.984   9.034  -2.896
  185   1HB   ASN  22          2HB       ASN  22   6.499   8.739  -3.006
  186   2HB   ASN  22          1HB       ASN  22   6.199   7.054  -3.421
  187   1HD2  ASN  22          1HD2      ASN  22   7.310   7.506  -5.396
  188   2HD2  ASN  22          2HD2      ASN  22   6.480   8.272  -6.702
  189    H    ARG  23           H        ARG  23   2.502   8.217  -4.260
  190    HA   ARG  23           HA       ARG  23   1.092   5.910  -3.650
  191   1HB   ARG  23          2HB       ARG  23   0.474   7.965  -5.131
  192   2HB   ARG  23          1HB       ARG  23   1.118   6.989  -6.443
  193   1HG   ARG  23          2HG       ARG  23  -0.523   5.197  -5.291
  194   2HG   ARG  23          1HG       ARG  23  -1.374   6.693  -4.905
  195   1HD   ARG  23          2HD       ARG  23  -0.685   7.039  -7.545
  196   2HD   ARG  23          1HD       ARG  23  -1.058   5.318  -7.459
  197    HE   ARG  23           HE       ARG  23  -3.138   6.493  -6.170
  198   1HH1  ARG  23          1HH1      ARG  23  -1.700   6.940  -9.329
  199   2HH1  ARG  23          2HH1      ARG  23  -3.187   7.433 -10.067
  200   1HH2  ARG  23          1HH2      ARG  23  -5.085   7.143  -7.149
  201   2HH2  ARG  23          2HH2      ARG  23  -5.104   7.549  -8.833
  202    H    ASP  24           H        ASP  24   3.901   6.299  -5.667
  203    HA   ASP  24           HA       ASP  24   3.629   3.898  -7.126
  204   1HB   ASP  24          2HB       ASP  24   5.563   6.005  -6.890
  205   2HB   ASP  24          1HB       ASP  24   6.398   4.458  -6.802
  206    H    PHE  25           H        PHE  25   5.008   4.648  -3.992
  207    HA   PHE  25           HA       PHE  25   6.176   2.063  -3.605
  208   1HB   PHE  25          2HB       PHE  25   6.727   4.351  -2.431
  209   2HB   PHE  25          1HB       PHE  25   5.430   3.881  -1.337
  210    HD1  PHE  25           1HD      PHE  25   6.322   3.173   0.655
  211    HD2  PHE  25           2HD      PHE  25   8.175   1.967  -2.981
  212    HE1  PHE  25           1HE      PHE  25   7.903   1.779   1.926
  213    HE2  PHE  25           2HE      PHE  25   9.757   0.571  -1.717
  214    HZ   PHE  25           HZ       PHE  25   9.622   0.475   0.740
  215    H    ILE  26           H        ILE  26   3.231   3.721  -2.608
  216    HA   ILE  26           HA       ILE  26   2.145   1.680  -1.014
  217    HB   ILE  26           HB       ILE  26   0.775   3.849  -2.615
  218   1HG1  ILE  26          2HG1      ILE  26   1.537   3.656   0.307
  219   2HG1  ILE  26          1HG1      ILE  26   2.294   4.690  -0.900
  220   1HG2  ILE  26          1HG2      ILE  26  -0.336   1.925  -0.580
  221   2HG2  ILE  26          2HG2      ILE  26  -0.912   2.237  -2.217
  222   3HG2  ILE  26          3HG2      ILE  26  -1.120   3.459  -0.962
  223   1HD1  ILE  26          1HD1      ILE  26   0.924   6.232  -0.012
  224   2HD1  ILE  26          2HD1      ILE  26  -0.223   5.031   0.581
  225   3HD1  ILE  26          3HD1      ILE  26  -0.252   5.515  -1.114
  226    H    GLU  27           H        GLU  27   1.752   2.433  -4.469
  227    HA   GLU  27           HA       GLU  27   0.004   0.240  -4.963
  228   1HB   GLU  27          2HB       GLU  27   0.682   2.482  -6.359
  229   2HB   GLU  27          1HB       GLU  27   1.599   1.261  -7.226
  230   1HG   GLU  27          2HG       GLU  27  -0.272   0.192  -7.989
  231   2HG   GLU  27          1HG       GLU  27  -1.265   0.733  -6.637
  232    H    LEU  28           H        LEU  28   3.455   0.716  -5.031
  233    HA   LEU  28           HA       LEU  28   4.121  -1.672  -6.405
  234   1HB   LEU  28          2HB       LEU  28   5.793  -0.038  -6.391
  235   2HB   LEU  28          1HB       LEU  28   5.592   0.294  -4.684
  236    HG   LEU  28           HG       LEU  28   6.681  -2.363  -5.519
  237   1HD1  LEU  28          1HD1      LEU  28   8.829  -1.586  -5.873
  238   2HD1  LEU  28          2HD1      LEU  28   8.504  -0.030  -5.110
  239   3HD1  LEU  28          3HD1      LEU  28   7.852  -0.381  -6.711
  240   1HD2  LEU  28          1HD2      LEU  28   6.769  -0.573  -3.131
  241   2HD2  LEU  28          2HD2      LEU  28   8.054  -1.753  -3.389
  242   3HD2  LEU  28          3HD2      LEU  28   6.382  -2.290  -3.232
  243    H    ILE  29           H        ILE  29   3.936  -0.821  -2.965
  244    HA   ILE  29           HA       ILE  29   4.653  -3.414  -2.043
  245    HB   ILE  29           HB       ILE  29   3.098  -1.290  -0.556
  246   1HG1  ILE  29          2HG1      ILE  29   6.018  -1.702  -0.143
  247   2HG1  ILE  29          1HG1      ILE  29   5.523  -0.850  -1.600
  248   1HG2  ILE  29          1HG2      ILE  29   2.993  -3.492   0.477
  249   2HG2  ILE  29          2HG2      ILE  29   3.974  -2.391   1.445
  250   3HG2  ILE  29          3HG2      ILE  29   4.752  -3.608   0.433
  251   1HD1  ILE  29          1HD1      ILE  29   4.109   0.210   0.643
  252   2HD1  ILE  29          2HD1      ILE  29   5.239   1.013  -0.447
  253   3HD1  ILE  29          3HD1      ILE  29   5.839   0.182   0.987
  254    H    GLU  30           H        GLU  30   1.663  -1.845  -2.937
  255    HA   GLU  30           HA       GLU  30  -0.043  -3.893  -1.864
  256   1HB   GLU  30          2HB       GLU  30  -0.623  -1.418  -2.371
  257   2HB   GLU  30          1HB       GLU  30  -0.839  -1.961  -4.027
  258   1HG   GLU  30          2HG       GLU  30  -2.371  -3.764  -2.875
  259   2HG   GLU  30          1HG       GLU  30  -2.457  -2.539  -1.608
  260    H    ASN  31           H        ASN  31   1.537  -3.206  -4.903
  261    HA   ASN  31           HA       ASN  31   0.088  -5.088  -6.466
  262   1HB   ASN  31          2HB       ASN  31   2.595  -3.499  -6.813
  263   2HB   ASN  31          1HB       ASN  31   2.296  -4.843  -7.908
  264   1HD2  ASN  31          1HD2      ASN  31   2.143  -3.364  -9.628
  265   2HD2  ASN  31          2HD2      ASN  31   0.719  -2.416  -9.871
  266    H    GLU  32           H        GLU  32   2.829  -5.301  -4.329
  267    HA   GLU  32           HA       GLU  32   3.648  -7.899  -5.287
  268   1HB   GLU  32          2HB       GLU  32   5.312  -6.382  -4.320
  269   2HB   GLU  32          1HB       GLU  32   4.429  -6.360  -2.800
  270   1HG   GLU  32          2HG       GLU  32   6.225  -7.826  -2.467
  271   2HG   GLU  32          1HG       GLU  32   4.811  -8.855  -2.692
  272    H    ILE  33           H        ILE  33   2.007  -6.562  -2.465
  273    HA   ILE  33           HA       ILE  33   1.500  -9.004  -1.151
  274    HB   ILE  33           HB       ILE  33  -0.058  -6.410  -1.056
  275   1HG1  ILE  33          2HG1      ILE  33   1.940  -7.343   0.985
  276   2HG1  ILE  33          1HG1      ILE  33   2.463  -6.471  -0.452
  277   1HG2  ILE  33          1HG2      ILE  33  -1.415  -7.285   0.490
  278   2HG2  ILE  33          2HG2      ILE  33  -0.071  -8.019   1.365
  279   3HG2  ILE  33          3HG2      ILE  33  -0.802  -8.863   0.001
  280   1HD1  ILE  33          1HD1      ILE  33   2.182  -5.007   1.487
  281   2HD1  ILE  33          2HD1      ILE  33   0.479  -5.456   1.567
  282   3HD1  ILE  33          3HD1      ILE  33   1.094  -4.577   0.167
  283    H    LYS  34           H        LYS  34  -0.132  -7.270  -3.731
  284    HA   LYS  34           HA       LYS  34  -2.545  -8.774  -3.663
  285   1HB   LYS  34          2HB       LYS  34  -1.284  -6.795  -5.457
  286   2HB   LYS  34          1HB       LYS  34  -2.380  -7.920  -6.248
  287   1HG   LYS  34          2HG       LYS  34  -4.116  -7.297  -4.571
  288   2HG   LYS  34          1HG       LYS  34  -3.014  -6.053  -3.977
  289   1HD   LYS  34          2HD       LYS  34  -2.990  -5.527  -6.634
  290   2HD   LYS  34          1HD       LYS  34  -4.634  -6.135  -6.433
  291   1HE   LYS  34          2HE       LYS  34  -4.684  -4.510  -4.395
  292   2HE   LYS  34          1HE       LYS  34  -3.336  -3.730  -5.222
  293   1HZ   LYS  34          1HZ       LYS  34  -4.676  -3.267  -7.082
  294   2HZ   LYS  34          2HZ       LYS  34  -5.613  -2.841  -5.740
  295   3HZ   LYS  34          3HZ       LYS  34  -5.919  -4.289  -6.560
  296    H    ARG  35           H        ARG  35   0.412  -8.973  -5.628
  297    HA   ARG  35           HA       ARG  35  -0.398 -11.291  -7.068
  298   1HB   ARG  35          2HB       ARG  35   1.555  -9.491  -7.450
  299   2HB   ARG  35          1HB       ARG  35   2.495 -10.748  -6.659
  300   1HG   ARG  35          2HG       ARG  35   0.721 -11.535  -8.906
  301   2HG   ARG  35          1HG       ARG  35   2.211 -10.664  -9.277
  302   1HD   ARG  35          2HD       ARG  35   2.237 -13.049  -7.463
  303   2HD   ARG  35          1HD       ARG  35   2.246 -13.251  -9.214
  304    HE   ARG  35           HE       ARG  35   4.254 -11.424  -8.359
  305   1HH1  ARG  35          1HH1      ARG  35   3.522 -14.839  -8.597
  306   2HH1  ARG  35          2HH1      ARG  35   5.185 -15.311  -8.671
  307   1HH2  ARG  35          1HH2      ARG  35   6.435 -12.055  -8.458
  308   2HH2  ARG  35          2HH2      ARG  35   6.837 -13.735  -8.592
  309    H    ARG  36           H        ARG  36   1.042 -10.745  -3.962
  310    HA   ARG  36           HA       ARG  36   2.078 -13.392  -3.618
  311   1HB   ARG  36          2HB       ARG  36   1.673 -11.024  -1.815
  312   2HB   ARG  36          1HB       ARG  36   2.157 -12.577  -1.158
  313   1HG   ARG  36          2HG       ARG  36   3.854 -12.038  -3.353
  314   2HG   ARG  36          1HG       ARG  36   3.759 -10.567  -2.386
  315   1HD   ARG  36          2HD       ARG  36   5.293 -11.478  -1.054
  316   2HD   ARG  36          1HD       ARG  36   4.037 -12.586  -0.507
  317    HE   ARG  36           HE       ARG  36   5.145 -13.624  -2.850
  318   1HH1  ARG  36          1HH1      ARG  36   6.108 -12.982   0.452
  319   2HH1  ARG  36          2HH1      ARG  36   7.278 -14.257   0.485
  320   1HH2  ARG  36          1HH2      ARG  36   6.683 -15.298  -2.797
  321   2HH2  ARG  36          2HH2      ARG  36   7.604 -15.569  -1.356
  322    H    SER  37           H        SER  37  -1.068 -12.388  -3.801
  323    HA   SER  37           HA       SER  37  -3.053 -13.282  -3.163
  324   1HB   SER  37          2HB       SER  37  -1.984 -15.419  -3.847
  325   2HB   SER  37          1HB       SER  37  -1.378 -15.619  -2.203
  326    HG   SER  37           HG       SER  37  -3.221 -16.554  -1.852
  327    H    LEU  38           H        LEU  38  -1.591 -11.565  -1.403
  328    HA   LEU  38           HA       LEU  38  -2.622 -12.477   1.209
  329   1HB   LEU  38          2HB       LEU  38  -0.046 -12.256   0.766
  330   2HB   LEU  38          1HB       LEU  38  -0.362 -10.544   0.984
  331    HG   LEU  38           HG       LEU  38  -1.338 -11.055   3.213
  332   1HD1  LEU  38          1HD1      LEU  38  -0.442 -13.405   4.031
  333   2HD1  LEU  38          2HD1      LEU  38  -0.679 -13.807   2.329
  334   3HD1  LEU  38          3HD1      LEU  38  -2.034 -13.218   3.294
  335   1HD2  LEU  38          1HD2      LEU  38   0.738 -11.238   4.315
  336   2HD2  LEU  38          2HD2      LEU  38   1.070 -10.412   2.793
  337   3HD2  LEU  38          3HD2      LEU  38   1.458 -12.124   2.971
  338    H    GLY  39           H        GLY  39  -3.844 -10.797  -0.995
  339   1HA   GLY  39          2HA       GLY  39  -3.868  -8.096  -0.239
  340   2HA   GLY  39          1HA       GLY  39  -5.137  -8.894  -1.141
  341    H    HIS  40           H        HIS  40  -5.568 -10.865   1.044
  342    HA   HIS  40           HA       HIS  40  -7.638  -9.564   2.399
  343   1HB   HIS  40          2HB       HIS  40  -7.150 -12.102   2.064
  344   2HB   HIS  40          1HB       HIS  40  -6.272 -11.941   3.578
  345    HD1  HIS  40           1HD      HIS  40  -9.607 -12.471   2.240
  346    HD2  HIS  40           2HD      HIS  40  -7.978 -11.005   5.771
  347    HE1  HIS  40           1HE      HIS  40 -11.480 -12.525   3.918
  348    HE2  HIS  40           2HE      HIS  40 -10.495 -11.545   6.020
  349    H    ILE  41           H        ILE  41  -4.250  -9.717   3.060
  350    HA   ILE  41           HA       ILE  41  -4.427  -9.039   5.835
  351    HB   ILE  41           HB       ILE  41  -2.519 -10.242   4.556
  352   1HG1  ILE  41          2HG1      ILE  41  -0.848  -9.430   6.207
  353   2HG1  ILE  41          1HG1      ILE  41  -1.972  -8.150   6.656
  354   1HG2  ILE  41          1HG2      ILE  41  -0.977  -9.115   3.371
  355   2HG2  ILE  41          2HG2      ILE  41  -1.080  -7.683   4.394
  356   3HG2  ILE  41          3HG2      ILE  41  -2.291  -7.963   3.145
  357   1HD1  ILE  41          1HD1      ILE  41  -3.039 -10.894   6.701
  358   2HD1  ILE  41          2HD1      ILE  41  -3.297  -9.554   7.819
  359   3HD1  ILE  41          3HD1      ILE  41  -1.816 -10.507   7.912
  360    H    ILE  42           H        ILE  42  -4.246  -7.296   2.832
  361    HA   ILE  42           HA       ILE  42  -3.788  -4.736   4.167
  362    HB   ILE  42           HB       ILE  42  -3.848  -3.833   1.792
  363   1HG1  ILE  42          2HG1      ILE  42  -3.608  -6.743   1.074
  364   2HG1  ILE  42          1HG1      ILE  42  -5.079  -5.805   0.878
  365   1HG2  ILE  42          1HG2      ILE  42  -1.611  -4.435   1.317
  366   2HG2  ILE  42          2HG2      ILE  42  -1.756  -5.938   2.229
  367   3HG2  ILE  42          3HG2      ILE  42  -1.773  -4.388   3.073
  368   1HD1  ILE  42          1HD1      ILE  42  -3.891  -4.308  -0.661
  369   2HD1  ILE  42          2HD1      ILE  42  -3.895  -5.980  -1.221
  370   3HD1  ILE  42          3HD1      ILE  42  -2.445  -5.301  -0.481
  371    H    SER  43           H        SER  43  -5.137  -2.870   3.291
  372    HA   SER  43           HA       SER  43  -7.971  -3.652   3.358
  373   1HB   SER  43          2HB       SER  43  -6.905  -2.007   5.081
  374   2HB   SER  43          1HB       SER  43  -6.984  -0.838   3.764
  375    HG   SER  43           HG       SER  43  -9.002  -0.602   4.249
  376    H    VAL  44           H        VAL  44  -7.655  -4.227   1.062
  377    HA   VAL  44           HA       VAL  44  -7.188  -2.120  -0.840
  378    HB   VAL  44           HB       VAL  44  -8.453  -4.692  -1.686
  379   1HG1  VAL  44          1HG1      VAL  44  -6.561  -2.686  -2.786
  380   2HG1  VAL  44          2HG1      VAL  44  -7.975  -3.434  -3.528
  381   3HG1  VAL  44          3HG1      VAL  44  -6.471  -4.343  -3.379
  382   1HG2  VAL  44          1HG2      VAL  44  -6.956  -5.832  -0.423
  383   2HG2  VAL  44          2HG2      VAL  44  -5.851  -4.463  -0.313
  384   3HG2  VAL  44          3HG2      VAL  44  -5.888  -5.448  -1.774
  385    H    SER  45           H        SER  45  -8.792  -1.777  -2.659
  386    HA   SER  45           HA       SER  45 -11.347  -1.083  -1.474
  387   1HB   SER  45          2HB       SER  45 -10.066  -0.467  -4.138
  388   2HB   SER  45          1HB       SER  45 -11.727  -0.013  -3.757
  389    HG   SER  45           HG       SER  45 -10.426   1.706  -3.230
  390    H    SER  46           H        SER  46 -12.388  -3.060  -1.225
  391    HA   SER  46           HA       SER  46 -13.609  -4.089  -3.645
  392   1HB   SER  46          2HB       SER  46 -12.552  -6.225  -1.875
  393   2HB   SER  46          1HB       SER  46 -12.756  -6.209  -3.627
  394    HG   SER  46           HG       SER  46 -10.532  -6.159  -2.836
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  12.993  -3.566  -0.563
    2   2H    MET   1          2HT       MET   1  12.015  -4.938  -0.234
    3   3H    MET   1          3HT       MET   1  11.373  -3.358  -0.042
    4    HA   MET   1           HA       MET   1  10.498  -4.067  -2.009
    5   1HB   MET   1          2HB       MET   1  12.174  -1.923  -1.874
    6   2HB   MET   1          1HB       MET   1  12.868  -2.797  -3.232
    7   1HG   MET   1          2HG       MET   1  10.041  -1.804  -2.969
    8   2HG   MET   1          1HG       MET   1  11.294  -1.185  -4.044
    9   1HE   MET   1          1HE       MET   1   8.780  -3.507  -3.099
   10   2HE   MET   1          2HE       MET   1   8.936  -4.965  -4.079
   11   3HE   MET   1          3HE       MET   1   8.027  -3.583  -4.692
   12    H    ARG   2           H        ARG   2  13.843  -5.044  -1.648
   13    HA   ARG   2           HA       ARG   2  13.864  -6.585  -4.088
   14   1HB   ARG   2          2HB       ARG   2  15.875  -5.438  -2.971
   15   2HB   ARG   2          1HB       ARG   2  15.875  -6.800  -1.860
   16   1HG   ARG   2          2HG       ARG   2  16.652  -8.251  -3.415
   17   2HG   ARG   2          1HG       ARG   2  15.837  -7.431  -4.749
   18   1HD   ARG   2          2HD       ARG   2  17.596  -5.528  -4.068
   19   2HD   ARG   2          1HD       ARG   2  18.503  -6.952  -3.561
   20    HE   ARG   2           HE       ARG   2  18.065  -6.079  -6.222
   21   1HH1  ARG   2          1HH1      ARG   2  18.346  -8.987  -4.295
   22   2HH1  ARG   2          2HH1      ARG   2  18.897  -9.954  -5.622
   23   1HH2  ARG   2          1HH2      ARG   2  18.789  -7.358  -7.956
   24   2HH2  ARG   2          2HH2      ARG   2  19.149  -9.032  -7.695
   25    H    LYS   3           H        LYS   3  13.879  -7.313  -0.605
   26    HA   LYS   3           HA       LYS   3  12.297  -9.662  -1.003
   27   1HB   LYS   3          2HB       LYS   3  14.229 -11.016   0.283
   28   2HB   LYS   3          1HB       LYS   3  14.059 -11.016  -1.462
   29   1HG   LYS   3          2HG       LYS   3  16.379 -10.704  -0.758
   30   2HG   LYS   3          1HG       LYS   3  15.774  -9.314  -1.662
   31   1HD   LYS   3          2HD       LYS   3  15.350  -8.154   0.480
   32   2HD   LYS   3          1HD       LYS   3  16.049  -9.528   1.337
   33   1HE   LYS   3          2HE       LYS   3  17.694  -8.357  -0.817
   34   2HE   LYS   3          1HE       LYS   3  17.453  -7.351   0.610
   35   1HZ   LYS   3          1HZ       LYS   3  18.650 -10.058   0.487
   36   2HZ   LYS   3          2HZ       LYS   3  18.192  -9.322   1.939
   37   3HZ   LYS   3          3HZ       LYS   3  19.392  -8.619   0.977
   38    H    LEU   4           H        LEU   4  10.890  -8.995   0.528
   39    HA   LEU   4           HA       LEU   4  11.894  -8.924   3.287
   40   1HB   LEU   4          2HB       LEU   4   9.659  -7.099   2.546
   41   2HB   LEU   4          1HB       LEU   4  10.823  -6.962   3.847
   42    HG   LEU   4           HG       LEU   4  11.479  -6.493   0.936
   43   1HD1  LEU   4          1HD1      LEU   4  10.446  -4.701   3.065
   44   2HD1  LEU   4          2HD1      LEU   4  10.161  -4.678   1.325
   45   3HD1  LEU   4          3HD1      LEU   4  11.684  -4.072   1.976
   46   1HD2  LEU   4          1HD2      LEU   4  13.191  -7.117   2.936
   47   2HD2  LEU   4          2HD2      LEU   4  13.133  -5.361   3.089
   48   3HD2  LEU   4          3HD2      LEU   4  13.606  -6.098   1.558
   49    H    SER   5           H        SER   5  10.534  -9.777   4.829
   50    HA   SER   5           HA       SER   5   8.658 -11.714   3.988
   51   1HB   SER   5          2HB       SER   5   8.786 -10.581   6.776
   52   2HB   SER   5          1HB       SER   5   8.362 -12.220   6.278
   53    HG   SER   5           HG       SER   5  10.786 -11.185   6.850
   54    H    ASP   6           H        ASP   6   6.366 -11.801   4.775
   55    HA   ASP   6           HA       ASP   6   4.892  -9.659   3.735
   56   1HB   ASP   6          2HB       ASP   6   3.614 -11.366   5.841
   57   2HB   ASP   6          1HB       ASP   6   2.959 -10.779   4.324
   58    H    GLU   7           H        GLU   7   6.279 -10.144   6.868
   59    HA   GLU   7           HA       GLU   7   4.648  -8.248   8.245
   60   1HB   GLU   7          2HB       GLU   7   6.979  -9.920   8.847
   61   2HB   GLU   7          1HB       GLU   7   7.017  -8.362   9.660
   62   1HG   GLU   7          2HG       GLU   7   5.055  -8.790  10.837
   63   2HG   GLU   7          1HG       GLU   7   4.580 -10.096   9.751
   64    H    LEU   8           H        LEU   8   7.723  -8.147   6.562
   65    HA   LEU   8           HA       LEU   8   8.169  -5.366   7.198
   66   1HB   LEU   8          2HB       LEU   8   9.615  -7.449   5.639
   67   2HB   LEU   8          1HB       LEU   8   9.983  -5.760   5.333
   68    HG   LEU   8           HG       LEU   8  11.516  -6.791   6.960
   69   1HD1  LEU   8          1HD1      LEU   8   9.988  -4.851   8.584
   70   2HD1  LEU   8          2HD1      LEU   8  10.546  -4.319   6.999
   71   3HD1  LEU   8          3HD1      LEU   8  11.706  -4.898   8.194
   72   1HD2  LEU   8          1HD2      LEU   8   9.496  -8.188   7.909
   73   2HD2  LEU   8          2HD2      LEU   8   9.372  -6.818   9.014
   74   3HD2  LEU   8          3HD2      LEU   8  10.868  -7.750   8.929
   75    H    LEU   9           H        LEU   9   6.888  -7.269   4.564
   76    HA   LEU   9           HA       LEU   9   6.816  -5.127   2.670
   77   1HB   LEU   9          2HB       LEU   9   6.930  -7.399   1.879
   78   2HB   LEU   9          1HB       LEU   9   5.467  -7.822   2.745
   79    HG   LEU   9           HG       LEU   9   4.308  -6.083   1.229
   80   1HD1  LEU   9          1HD1      LEU   9   5.336  -5.600  -0.858
   81   2HD1  LEU   9          2HD1      LEU   9   6.701  -6.659  -0.504
   82   3HD1  LEU   9          3HD1      LEU   9   6.489  -5.159   0.401
   83   1HD2  LEU   9          1HD2      LEU   9   4.115  -7.786  -0.600
   84   2HD2  LEU   9          2HD2      LEU   9   3.818  -8.406   1.024
   85   3HD2  LEU   9          3HD2      LEU   9   5.359  -8.722   0.227
   86    H    ILE  10           H        ILE  10   4.468  -6.649   4.830
   87    HA   ILE  10           HA       ILE  10   2.303  -5.029   3.962
   88    HB   ILE  10           HB       ILE  10   2.633  -6.699   6.453
   89   1HG1  ILE  10          2HG1      ILE  10   0.898  -7.215   4.045
   90   2HG1  ILE  10          1HG1      ILE  10   2.578  -7.738   4.109
   91   1HG2  ILE  10          1HG2      ILE  10   0.269  -6.472   6.842
   92   2HG2  ILE  10          2HG2      ILE  10   0.080  -5.492   5.388
   93   3HG2  ILE  10          3HG2      ILE  10   0.975  -4.858   6.768
   94   1HD1  ILE  10          1HD1      ILE  10   0.498  -9.234   4.882
   95   2HD1  ILE  10          2HD1      ILE  10   0.935  -8.487   6.415
   96   3HD1  ILE  10          3HD1      ILE  10   2.132  -9.416   5.512
   97    H    GLU  11           H        GLU  11   4.689  -4.784   6.530
   98    HA   GLU  11           HA       GLU  11   3.531  -2.615   7.906
   99   1HB   GLU  11          2HB       GLU  11   6.190  -3.890   7.795
  100   2HB   GLU  11          1HB       GLU  11   6.188  -2.212   8.306
  101   1HG   GLU  11          2HG       GLU  11   6.078  -3.833  10.171
  102   2HG   GLU  11          1HG       GLU  11   4.734  -2.692  10.133
  103    H    SER  12           H        SER  12   5.345  -2.845   4.943
  104    HA   SER  12           HA       SER  12   6.048  -0.082   4.770
  105   1HB   SER  12          2HB       SER  12   5.724  -2.007   2.459
  106   2HB   SER  12          1HB       SER  12   6.737  -0.565   2.525
  107    HG   SER  12           HG       SER  12   8.087  -1.599   3.961
  108    H    TYR  13           H        TYR  13   3.465  -2.095   3.417
  109    HA   TYR  13           HA       TYR  13   2.153  -0.010   2.024
  110   1HB   TYR  13          2HB       TYR  13   1.762  -2.422   1.586
  111   2HB   TYR  13          1HB       TYR  13   0.970  -2.561   3.151
  112    HD1  TYR  13           1HD      TYR  13  -1.321  -2.171   3.340
  113    HD2  TYR  13           2HD      TYR  13   0.744  -0.763  -0.102
  114    HE1  TYR  13           1HE      TYR  13  -3.468  -1.542   2.316
  115    HE2  TYR  13           2HE      TYR  13  -1.396  -0.127  -1.134
  116    HH   TYR  13           HH       TYR  13  -3.900   0.502   0.058
  117    H    PHE  14           H        PHE  14   1.796  -1.373   5.261
  118    HA   PHE  14           HA       PHE  14  -0.443   0.190   6.016
  119   1HB   PHE  14          2HB       PHE  14   1.650  -1.273   7.605
  120   2HB   PHE  14          1HB       PHE  14   0.322  -0.421   8.369
  121    HD1  PHE  14           1HD      PHE  14  -0.101  -2.680   9.410
  122    HD2  PHE  14           2HD      PHE  14  -0.564  -1.969   5.236
  123    HE1  PHE  14           1HE      PHE  14  -1.486  -4.705   9.216
  124    HE2  PHE  14           2HE      PHE  14  -1.943  -3.987   5.042
  125    HZ   PHE  14           HZ       PHE  14  -2.410  -5.365   7.028
  126    H    LYS  15           H        LYS  15   3.039   0.588   6.397
  127    HA   LYS  15           HA       LYS  15   2.930   2.956   7.931
  128   1HB   LYS  15          2HB       LYS  15   5.038   1.605   6.286
  129   2HB   LYS  15          1HB       LYS  15   5.322   3.226   6.902
  130   1HG   LYS  15          2HG       LYS  15   4.627   0.835   8.594
  131   2HG   LYS  15          1HG       LYS  15   6.254   1.473   8.352
  132   1HD   LYS  15          2HD       LYS  15   5.818   2.655  10.216
  133   2HD   LYS  15          1HD       LYS  15   4.921   3.711   9.124
  134   1HE   LYS  15          2HE       LYS  15   2.919   3.055   9.926
  135   2HE   LYS  15          1HE       LYS  15   3.433   1.380  10.127
  136   1HZ   LYS  15          1HZ       LYS  15   2.954   2.931  12.176
  137   2HZ   LYS  15          2HZ       LYS  15   4.566   3.383  11.932
  138   3HZ   LYS  15          3HZ       LYS  15   4.177   1.763  12.224
  139    H    ALA  16           H        ALA  16   3.403   2.380   4.461
  140    HA   ALA  16           HA       ALA  16   3.635   5.054   3.683
  141   1HB   ALA  16          1HB       ALA  16   3.065   4.260   1.424
  142   2HB   ALA  16          2HB       ALA  16   2.587   2.706   2.107
  143   3HB   ALA  16          3HB       ALA  16   4.266   3.236   2.211
  144    H    THR  17           H        THR  17   0.789   3.123   4.369
  145    HA   THR  17           HA       THR  17  -1.038   4.965   3.162
  146    HB   THR  17           HB       THR  17  -2.778   3.721   4.426
  147    HG1  THR  17           1HG      THR  17  -2.083   1.902   5.633
  148   1HG2  THR  17          1HG2      THR  17  -1.914   1.334   3.576
  149   2HG2  THR  17          2HG2      THR  17  -0.852   2.394   2.646
  150   3HG2  THR  17          3HG2      THR  17  -2.603   2.562   2.515
  151    H    GLU  18           H        GLU  18   0.448   4.585   6.300
  152    HA   GLU  18           HA       GLU  18  -1.221   6.498   7.623
  153   1HB   GLU  18          2HB       GLU  18   1.134   4.854   8.315
  154   2HB   GLU  18          1HB       GLU  18   0.968   6.359   9.208
  155   1HG   GLU  18          2HG       GLU  18  -1.525   5.462   9.463
  156   2HG   GLU  18          1HG       GLU  18  -0.696   3.917   9.269
  157    H    MET  19           H        MET  19   2.123   6.534   6.446
  158    HA   MET  19           HA       MET  19   2.403   9.354   6.960
  159   1HB   MET  19          2HB       MET  19   4.625   9.050   5.915
  160   2HB   MET  19          1HB       MET  19   4.320   7.974   7.262
  161   1HG   MET  19          2HG       MET  19   3.504   6.527   5.053
  162   2HG   MET  19          1HG       MET  19   4.944   7.377   4.502
  163   1HE   MET  19          1HE       MET  19   5.600   3.778   5.003
  164   2HE   MET  19          2HE       MET  19   7.053   4.761   4.816
  165   3HE   MET  19          3HE       MET  19   5.585   5.183   3.940
  166    H    ASN  20           H        ASN  20   1.076   7.560   4.453
  167    HA   ASN  20           HA       ASN  20   0.287   8.087   2.398
  168   1HB   ASN  20          2HB       ASN  20   0.775  10.803   3.543
  169   2HB   ASN  20          1HB       ASN  20   0.424  10.663   1.825
  170   1HD2  ASN  20          1HD2      ASN  20  -1.509  11.813   2.169
  171   2HD2  ASN  20          2HD2      ASN  20  -2.896  11.043   2.852
  172    H    LEU  21           H        LEU  21   2.779   7.059   2.511
  173    HA   LEU  21           HA       LEU  21   4.838   8.476   1.260
  174   1HB   LEU  21          2HB       LEU  21   4.745   6.105   2.395
  175   2HB   LEU  21          1HB       LEU  21   4.434   5.551   0.762
  176    HG   LEU  21           HG       LEU  21   6.798   7.302   1.259
  177   1HD1  LEU  21          1HD1      LEU  21   6.459   4.500   2.194
  178   2HD1  LEU  21          2HD1      LEU  21   7.346   5.839   2.924
  179   3HD1  LEU  21          3HD1      LEU  21   8.016   4.994   1.528
  180   1HD2  LEU  21          1HD2      LEU  21   7.217   5.031  -0.447
  181   2HD2  LEU  21          2HD2      LEU  21   7.268   6.747  -0.845
  182   3HD2  LEU  21          3HD2      LEU  21   5.742   5.870  -0.928
  183    H    ASN  22           H        ASN  22   5.669   8.133  -0.964
  184    HA   ASN  22           HA       ASN  22   4.086   9.023  -2.959
  185   1HB   ASN  22          2HB       ASN  22   6.623   8.497  -2.941
  186   2HB   ASN  22          1HB       ASN  22   6.148   6.934  -3.599
  187   1HD2  ASN  22          1HD2      ASN  22   6.190   6.814  -5.712
  188   2HD2  ASN  22          2HD2      ASN  22   5.961   8.122  -6.817
  189    H    ARG  23           H        ARG  23   2.537   8.319  -4.285
  190    HA   ARG  23           HA       ARG  23   1.017   6.080  -3.782
  191   1HB   ARG  23          2HB       ARG  23   0.554   8.177  -5.252
  192   2HB   ARG  23          1HB       ARG  23   1.189   7.189  -6.560
  193   1HG   ARG  23          2HG       ARG  23  -1.211   7.041  -6.521
  194   2HG   ARG  23          1HG       ARG  23  -0.517   5.483  -6.067
  195   1HD   ARG  23          2HD       ARG  23  -1.257   5.624  -3.922
  196   2HD   ARG  23          1HD       ARG  23  -1.124   7.381  -3.876
  197    HE   ARG  23           HE       ARG  23  -3.447   5.881  -4.465
  198   1HH1  ARG  23          1HH1      ARG  23  -1.768   8.795  -5.431
  199   2HH1  ARG  23          2HH1      ARG  23  -3.211   9.596  -5.952
  200   1HH2  ARG  23          1HH2      ARG  23  -5.337   6.941  -5.152
  201   2HH2  ARG  23          2HH2      ARG  23  -5.233   8.547  -5.793
  202    H    ASP  24           H        ASP  24   3.939   6.282  -5.642
  203    HA   ASP  24           HA       ASP  24   3.527   3.889  -7.133
  204   1HB   ASP  24          2HB       ASP  24   5.285   5.934  -7.356
  205   2HB   ASP  24          1HB       ASP  24   6.309   4.733  -6.574
  206    H    PHE  25           H        PHE  25   4.951   4.626  -4.012
  207    HA   PHE  25           HA       PHE  25   6.067   2.008  -3.649
  208   1HB   PHE  25          2HB       PHE  25   6.726   4.272  -2.494
  209   2HB   PHE  25          1HB       PHE  25   5.442   3.850  -1.365
  210    HD1  PHE  25           1HD      PHE  25   7.954   1.705  -3.079
  211    HD2  PHE  25           2HD      PHE  25   6.483   3.242   0.608
  212    HE1  PHE  25           1HE      PHE  25   9.514   0.250  -1.854
  213    HE2  PHE  25           2HE      PHE  25   8.042   1.790   1.838
  214    HZ   PHE  25           HZ       PHE  25   9.560   0.291   0.606
  215    H    ILE  26           H        ILE  26   3.167   3.728  -2.625
  216    HA   ILE  26           HA       ILE  26   2.092   1.721  -0.973
  217    HB   ILE  26           HB       ILE  26   0.729   3.894  -2.576
  218   1HG1  ILE  26          2HG1      ILE  26   1.500   3.678   0.341
  219   2HG1  ILE  26          1HG1      ILE  26   2.237   4.731  -0.860
  220   1HG2  ILE  26          1HG2      ILE  26  -1.194   3.527  -0.984
  221   2HG2  ILE  26          2HG2      ILE  26  -0.420   2.013  -0.517
  222   3HG2  ILE  26          3HG2      ILE  26  -0.955   2.255  -2.180
  223   1HD1  ILE  26          1HD1      ILE  26  -0.436   4.949   0.454
  224   2HD1  ILE  26          2HD1      ILE  26  -0.122   5.740  -1.090
  225   3HD1  ILE  26          3HD1      ILE  26   0.849   6.150   0.323
  226    H    GLU  27           H        GLU  27   1.765   2.382  -4.440
  227    HA   GLU  27           HA       GLU  27  -0.028   0.195  -4.890
  228   1HB   GLU  27          2HB       GLU  27   0.614   2.425  -6.315
  229   2HB   GLU  27          1HB       GLU  27   1.543   1.208  -7.174
  230   1HG   GLU  27          2HG       GLU  27  -0.406  -0.049  -7.676
  231   2HG   GLU  27          1HG       GLU  27  -1.390   0.931  -6.590
  232    H    LEU  28           H        LEU  28   3.419   0.707  -5.016
  233    HA   LEU  28           HA       LEU  28   4.101  -1.680  -6.374
  234   1HB   LEU  28          2HB       LEU  28   5.754  -0.024  -6.364
  235   2HB   LEU  28          1HB       LEU  28   5.566   0.292  -4.653
  236    HG   LEU  28           HG       LEU  28   6.660  -2.355  -5.505
  237   1HD1  LEU  28          1HD1      LEU  28   8.685  -1.594  -6.137
  238   2HD1  LEU  28          2HD1      LEU  28   8.626  -0.211  -5.046
  239   3HD1  LEU  28          3HD1      LEU  28   7.776  -0.153  -6.589
  240   1HD2  LEU  28          1HD2      LEU  28   6.475  -2.333  -3.230
  241   2HD2  LEU  28          2HD2      LEU  28   6.694  -0.586  -3.119
  242   3HD2  LEU  28          3HD2      LEU  28   8.085  -1.633  -3.395
  243    H    ILE  29           H        ILE  29   3.922  -0.837  -2.928
  244    HA   ILE  29           HA       ILE  29   4.680  -3.416  -2.008
  245    HB   ILE  29           HB       ILE  29   3.043  -1.368  -0.508
  246   1HG1  ILE  29          2HG1      ILE  29   5.962  -1.585  -0.052
  247   2HG1  ILE  29          1HG1      ILE  29   5.474  -0.833  -1.567
  248   1HG2  ILE  29          1HG2      ILE  29   3.220  -3.732   0.371
  249   2HG2  ILE  29          2HG2      ILE  29   3.751  -2.455   1.464
  250   3HG2  ILE  29          3HG2      ILE  29   4.941  -3.422   0.593
  251   1HD1  ILE  29          1HD1      ILE  29   3.869   0.340   0.387
  252   2HD1  ILE  29          2HD1      ILE  29   5.242   1.062  -0.452
  253   3HD1  ILE  29          3HD1      ILE  29   5.483   0.244   1.091
  254    H    GLU  30           H        GLU  30   1.656  -1.906  -2.902
  255    HA   GLU  30           HA       GLU  30  -0.001  -4.001  -1.843
  256   1HB   GLU  30          2HB       GLU  30  -0.629  -1.526  -2.335
  257   2HB   GLU  30          1HB       GLU  30  -0.866  -2.082  -3.985
  258   1HG   GLU  30          2HG       GLU  30  -2.272  -3.935  -2.571
  259   2HG   GLU  30          1HG       GLU  30  -2.514  -2.479  -1.606
  260    H    ASN  31           H        ASN  31   1.533  -3.246  -4.893
  261    HA   ASN  31           HA       ASN  31   0.115  -5.115  -6.481
  262   1HB   ASN  31          2HB       ASN  31   2.640  -3.543  -6.781
  263   2HB   ASN  31          1HB       ASN  31   2.337  -4.868  -7.899
  264   1HD2  ASN  31          1HD2      ASN  31   2.512  -2.650  -9.147
  265   2HD2  ASN  31          2HD2      ASN  31   0.982  -1.961  -9.561
  266    H    GLU  32           H        GLU  32   2.885  -5.356  -4.377
  267    HA   GLU  32           HA       GLU  32   3.650  -7.972  -5.335
  268   1HB   GLU  32          2HB       GLU  32   5.249  -6.289  -4.310
  269   2HB   GLU  32          1HB       GLU  32   4.496  -6.635  -2.759
  270   1HG   GLU  32          2HG       GLU  32   6.053  -8.202  -2.533
  271   2HG   GLU  32          1HG       GLU  32   5.109  -9.137  -3.691
  272    H    ILE  33           H        ILE  33   2.081  -6.595  -2.492
  273    HA   ILE  33           HA       ILE  33   1.556  -9.025  -1.159
  274    HB   ILE  33           HB       ILE  33   0.085  -6.378  -1.034
  275   1HG1  ILE  33          2HG1      ILE  33   2.072  -7.441   0.961
  276   2HG1  ILE  33          1HG1      ILE  33   2.586  -6.510  -0.442
  277   1HG2  ILE  33          1HG2      ILE  33  -1.150  -8.435  -0.147
  278   2HG2  ILE  33          2HG2      ILE  33  -0.964  -7.070   0.949
  279   3HG2  ILE  33          3HG2      ILE  33   0.081  -8.479   1.113
  280   1HD1  ILE  33          1HD1      ILE  33   2.367  -5.138   1.571
  281   2HD1  ILE  33          2HD1      ILE  33   0.656  -5.559   1.661
  282   3HD1  ILE  33          3HD1      ILE  33   1.264  -4.624   0.294
  283    H    LYS  34           H        LYS  34  -0.068  -7.273  -3.727
  284    HA   LYS  34           HA       LYS  34  -2.511  -8.737  -3.621
  285   1HB   LYS  34          2HB       LYS  34  -1.230  -6.814  -5.495
  286   2HB   LYS  34          1HB       LYS  34  -2.498  -7.844  -6.143
  287   1HG   LYS  34          2HG       LYS  34  -2.817  -6.108  -3.707
  288   2HG   LYS  34          1HG       LYS  34  -3.287  -5.630  -5.338
  289   1HD   LYS  34          2HD       LYS  34  -4.819  -7.545  -5.445
  290   2HD   LYS  34          1HD       LYS  34  -4.359  -7.996  -3.802
  291   1HE   LYS  34          2HE       LYS  34  -5.097  -5.618  -3.166
  292   2HE   LYS  34          1HE       LYS  34  -5.901  -5.599  -4.736
  293   1HZ   LYS  34          1HZ       LYS  34  -7.166  -6.390  -2.626
  294   2HZ   LYS  34          2HZ       LYS  34  -6.373  -7.855  -2.916
  295   3HZ   LYS  34          3HZ       LYS  34  -7.389  -7.198  -4.097
  296    H    ARG  35           H        ARG  35   0.382  -8.929  -5.680
  297    HA   ARG  35           HA       ARG  35  -0.500 -11.209  -7.129
  298   1HB   ARG  35          2HB       ARG  35   1.369  -9.492  -7.701
  299   2HB   ARG  35          1HB       ARG  35   2.397 -10.527  -6.719
  300   1HG   ARG  35          2HG       ARG  35   0.810 -11.941  -8.740
  301   2HG   ARG  35          1HG       ARG  35   2.005 -10.813  -9.385
  302   1HD   ARG  35          2HD       ARG  35   2.704 -12.823  -7.267
  303   2HD   ARG  35          1HD       ARG  35   2.740 -13.232  -8.981
  304    HE   ARG  35           HE       ARG  35   4.213 -10.891  -8.630
  305   1HH1  ARG  35          1HH1      ARG  35   4.401 -14.261  -7.710
  306   2HH1  ARG  35          2HH1      ARG  35   6.131 -14.270  -7.644
  307   1HH2  ARG  35          1HH2      ARG  35   6.485 -10.912  -8.542
  308   2HH2  ARG  35          2HH2      ARG  35   7.312 -12.373  -8.115
  309    H    ARG  36           H        ARG  36   0.939 -10.765  -4.018
  310    HA   ARG  36           HA       ARG  36   1.910 -13.471  -3.786
  311   1HB   ARG  36          2HB       ARG  36   1.863 -11.044  -2.050
  312   2HB   ARG  36          1HB       ARG  36   2.097 -12.609  -1.290
  313   1HG   ARG  36          2HG       ARG  36   3.942 -12.903  -3.109
  314   2HG   ARG  36          1HG       ARG  36   3.864 -11.141  -3.187
  315   1HD   ARG  36          2HD       ARG  36   4.798 -10.877  -1.148
  316   2HD   ARG  36          1HD       ARG  36   3.998 -12.300  -0.481
  317    HE   ARG  36           HE       ARG  36   5.956 -13.114  -2.327
  318   1HH1  ARG  36          1HH1      ARG  36   5.701 -11.693   0.860
  319   2HH1  ARG  36          2HH1      ARG  36   7.213 -12.339   1.400
  320   1HH2  ARG  36          1HH2      ARG  36   7.942 -13.959  -1.609
  321   2HH2  ARG  36          2HH2      ARG  36   8.484 -13.623   0.002
  322    H    SER  37           H        SER  37  -1.156 -12.428  -3.908
  323    HA   SER  37           HA       SER  37  -3.153 -13.209  -3.156
  324   1HB   SER  37          2HB       SER  37  -1.907 -15.409  -3.685
  325   2HB   SER  37          1HB       SER  37  -1.702 -15.554  -1.939
  326    HG   SER  37           HG       SER  37  -3.936 -15.924  -3.483
  327    H    LEU  38           H        LEU  38  -1.568 -11.466  -1.501
  328    HA   LEU  38           HA       LEU  38  -2.589 -12.207   1.169
  329   1HB   LEU  38          2HB       LEU  38  -0.021 -12.134   0.659
  330   2HB   LEU  38          1HB       LEU  38  -0.244 -10.402   0.792
  331    HG   LEU  38           HG       LEU  38  -1.302 -10.892   3.078
  332   1HD1  LEU  38          1HD1      LEU  38  -1.596 -13.294   2.755
  333   2HD1  LEU  38          2HD1      LEU  38  -0.560 -12.957   4.141
  334   3HD1  LEU  38          3HD1      LEU  38   0.150 -13.493   2.619
  335   1HD2  LEU  38          1HD2      LEU  38   0.942 -11.045   4.132
  336   2HD2  LEU  38          2HD2      LEU  38   0.836  -9.817   2.871
  337   3HD2  LEU  38          3HD2      LEU  38   1.626 -11.358   2.537
  338    H    GLY  39           H        GLY  39  -3.750 -10.561  -1.111
  339   1HA   GLY  39          2HA       GLY  39  -3.663  -7.825  -0.320
  340   2HA   GLY  39          1HA       GLY  39  -4.830  -8.548  -1.416
  341    H    HIS  40           H        HIS  40  -5.178 -10.458   1.171
  342    HA   HIS  40           HA       HIS  40  -7.473  -8.985   2.106
  343   1HB   HIS  40          2HB       HIS  40  -7.610 -11.425   1.799
  344   2HB   HIS  40          1HB       HIS  40  -6.359 -11.634   3.016
  345    HD1  HIS  40           1HD      HIS  40  -9.922 -10.408   2.700
  346    HD2  HIS  40           2HD      HIS  40  -7.260 -11.746   5.598
  347    HE1  HIS  40           1HE      HIS  40 -11.282 -10.647   4.801
  348    HE2  HIS  40           2HE      HIS  40  -9.633 -11.382   6.560
  349    H    ILE  41           H        ILE  41  -4.256  -9.799   3.169
  350    HA   ILE  41           HA       ILE  41  -4.433  -9.119   5.877
  351    HB   ILE  41           HB       ILE  41  -2.510 -10.234   4.525
  352   1HG1  ILE  41          2HG1      ILE  41  -0.877  -9.653   6.247
  353   2HG1  ILE  41          1HG1      ILE  41  -1.854  -8.265   6.719
  354   1HG2  ILE  41          1HG2      ILE  41  -2.275  -7.938   3.215
  355   2HG2  ILE  41          2HG2      ILE  41  -0.903  -9.007   3.495
  356   3HG2  ILE  41          3HG2      ILE  41  -1.152  -7.605   4.532
  357   1HD1  ILE  41          1HD1      ILE  41  -3.408 -10.690   6.740
  358   2HD1  ILE  41          2HD1      ILE  41  -3.114  -9.527   8.034
  359   3HD1  ILE  41          3HD1      ILE  41  -1.970 -10.838   7.748
  360    H    ILE  42           H        ILE  42  -4.143  -7.205   2.993
  361    HA   ILE  42           HA       ILE  42  -3.655  -4.730   4.419
  362    HB   ILE  42           HB       ILE  42  -3.824  -3.706   2.112
  363   1HG1  ILE  42          2HG1      ILE  42  -3.815  -6.601   1.240
  364   2HG1  ILE  42          1HG1      ILE  42  -5.156  -5.477   1.051
  365   1HG2  ILE  42          1HG2      ILE  42  -1.776  -5.826   2.658
  366   2HG2  ILE  42          2HG2      ILE  42  -1.692  -4.112   3.069
  367   3HG2  ILE  42          3HG2      ILE  42  -1.637  -4.619   1.381
  368   1HD1  ILE  42          1HD1      ILE  42  -4.245  -5.333  -1.016
  369   2HD1  ILE  42          2HD1      ILE  42  -2.614  -5.682  -0.444
  370   3HD1  ILE  42          3HD1      ILE  42  -3.305  -4.076  -0.214
  371    H    SER  43           H        SER  43  -5.068  -2.978   4.488
  372    HA   SER  43           HA       SER  43  -7.827  -3.679   4.635
  373   1HB   SER  43          2HB       SER  43  -6.611  -1.954   6.081
  374   2HB   SER  43          1HB       SER  43  -6.724  -0.868   4.695
  375    HG   SER  43           HG       SER  43  -8.478  -0.584   6.120
  376    H    VAL  44           H        VAL  44  -7.700  -4.426   2.297
  377    HA   VAL  44           HA       VAL  44  -8.447  -2.203   0.513
  378    HB   VAL  44           HB       VAL  44  -7.143  -4.801  -0.307
  379   1HG1  VAL  44          1HG1      VAL  44  -8.654  -3.529  -1.937
  380   2HG1  VAL  44          2HG1      VAL  44  -7.031  -3.957  -2.478
  381   3HG1  VAL  44          3HG1      VAL  44  -7.380  -2.309  -1.954
  382   1HG2  VAL  44          1HG2      VAL  44  -5.541  -3.551   0.936
  383   2HG2  VAL  44          2HG2      VAL  44  -5.973  -2.062   0.100
  384   3HG2  VAL  44          3HG2      VAL  44  -5.164  -3.360  -0.775
  385    H    SER  45           H        SER  45 -10.246  -2.443  -0.753
  386    HA   SER  45           HA       SER  45 -11.823  -4.897  -0.320
  387   1HB   SER  45          2HB       SER  45 -12.693  -2.694   0.683
  388   2HB   SER  45          1HB       SER  45 -13.015  -2.206  -0.981
  389    HG   SER  45           HG       SER  45 -14.861  -3.162  -0.365
  390    H    SER  46           H        SER  46 -11.015  -5.934  -2.148
  391    HA   SER  46           HA       SER  46 -10.826  -4.817  -4.711
  392   1HB   SER  46          2HB       SER  46 -11.409  -7.723  -4.126
  393   2HB   SER  46          1HB       SER  46 -10.560  -7.052  -5.518
  394    HG   SER  46           HG       SER  46  -9.568  -7.785  -3.141
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  12.093  -5.829  -1.202
    2   2H    MET   1          2HT       MET   1  12.122  -4.132  -1.453
    3   3H    MET   1          3HT       MET   1  13.065  -5.165  -2.446
    4    HA   MET   1           HA       MET   1  10.173  -4.745  -2.400
    5   1HB   MET   1          2HB       MET   1  12.444  -4.155  -4.107
    6   2HB   MET   1          1HB       MET   1  11.211  -5.044  -4.990
    7   1HG   MET   1          2HG       MET   1  10.791  -2.730  -5.284
    8   2HG   MET   1          1HG       MET   1   9.543  -3.369  -4.216
    9   1HE   MET   1          1HE       MET   1  10.497  -2.834  -0.950
   10   2HE   MET   1          2HE       MET   1   9.172  -3.040  -2.096
   11   3HE   MET   1          3HE       MET   1   9.439  -1.475  -1.329
   12    H    ARG   2           H        ARG   2  12.630  -6.921  -3.808
   13    HA   ARG   2           HA       ARG   2  10.616  -8.899  -4.427
   14   1HB   ARG   2          2HB       ARG   2  12.674  -8.358  -5.841
   15   2HB   ARG   2          1HB       ARG   2  13.598  -9.258  -4.646
   16   1HG   ARG   2          2HG       ARG   2  13.196 -10.859  -6.246
   17   2HG   ARG   2          1HG       ARG   2  11.876 -11.144  -5.112
   18   1HD   ARG   2          2HD       ARG   2  10.935  -9.206  -6.911
   19   2HD   ARG   2          1HD       ARG   2  11.774 -10.406  -7.892
   20    HE   ARG   2           HE       ARG   2  10.239 -11.919  -6.269
   21   1HH1  ARG   2          1HH1      ARG   2   9.519  -9.198  -8.347
   22   2HH1  ARG   2          2HH1      ARG   2   7.900  -9.720  -8.670
   23   1HH2  ARG   2          1HH2      ARG   2   8.111 -12.597  -6.699
   24   2HH2  ARG   2          2HH2      ARG   2   7.102 -11.646  -7.736
   25    H    LYS   3           H        LYS   3  13.507  -8.777  -2.342
   26    HA   LYS   3           HA       LYS   3  12.615 -11.214  -0.999
   27   1HB   LYS   3          2HB       LYS   3  15.185  -9.643  -0.763
   28   2HB   LYS   3          1HB       LYS   3  14.835 -11.125   0.115
   29   1HG   LYS   3          2HG       LYS   3  14.529 -11.263  -2.811
   30   2HG   LYS   3          1HG       LYS   3  16.173 -11.044  -2.209
   31   1HD   LYS   3          2HD       LYS   3  16.062 -13.324  -2.175
   32   2HD   LYS   3          1HD       LYS   3  15.438 -12.981  -0.560
   33   1HE   LYS   3          2HE       LYS   3  13.175 -13.228  -1.320
   34   2HE   LYS   3          1HE       LYS   3  13.705 -13.368  -2.996
   35   1HZ   LYS   3          1HZ       LYS   3  14.759 -15.288  -1.053
   36   2HZ   LYS   3          2HZ       LYS   3  14.407 -15.497  -2.693
   37   3HZ   LYS   3          3HZ       LYS   3  13.154 -15.473  -1.557
   38    H    LEU   4           H        LEU   4  10.914 -10.526   0.269
   39    HA   LEU   4           HA       LEU   4  11.666  -9.158   2.711
   40   1HB   LEU   4          2HB       LEU   4   9.402  -8.103   1.017
   41   2HB   LEU   4          1HB       LEU   4   9.860  -7.524   2.605
   42    HG   LEU   4           HG       LEU   4  11.620  -7.341   0.159
   43   1HD1  LEU   4          1HD1      LEU   4   9.741  -5.361   1.418
   44   2HD1  LEU   4          2HD1      LEU   4   9.776  -5.924  -0.252
   45   3HD1  LEU   4          3HD1      LEU   4  11.066  -4.886   0.354
   46   1HD2  LEU   4          1HD2      LEU   4  12.575  -7.386   2.578
   47   2HD2  LEU   4          2HD2      LEU   4  11.922  -5.751   2.670
   48   3HD2  LEU   4          3HD2      LEU   4  13.125  -6.151   1.446
   49    H    SER   5           H        SER   5  10.043  -9.343   4.376
   50    HA   SER   5           HA       SER   5   8.466 -11.785   4.080
   51   1HB   SER   5          2HB       SER   5   8.650 -10.311   6.668
   52   2HB   SER   5          1HB       SER   5   8.616 -12.048   6.366
   53    HG   SER   5           HG       SER   5  10.763 -11.878   5.601
   54    H    ASP   6           H        ASP   6   6.266 -11.839   5.012
   55    HA   ASP   6           HA       ASP   6   4.635  -9.845   3.894
   56   1HB   ASP   6          2HB       ASP   6   3.490 -11.330   6.210
   57   2HB   ASP   6          1HB       ASP   6   2.810 -11.013   4.627
   58    H    GLU   7           H        GLU   7   6.199 -10.077   6.980
   59    HA   GLU   7           HA       GLU   7   4.627  -8.026   8.226
   60   1HB   GLU   7          2HB       GLU   7   6.735  -9.843   9.006
   61   2HB   GLU   7          1HB       GLU   7   7.091  -8.220   9.578
   62   1HG   GLU   7          2HG       GLU   7   4.344  -9.218  10.014
   63   2HG   GLU   7          1HG       GLU   7   5.631  -9.964  10.959
   64    H    LEU   8           H        LEU   8   7.629  -8.201   6.450
   65    HA   LEU   8           HA       LEU   8   8.337  -5.454   6.940
   66   1HB   LEU   8          2HB       LEU   8   9.460  -7.691   5.332
   67   2HB   LEU   8          1HB       LEU   8   9.942  -6.050   4.941
   68    HG   LEU   8           HG       LEU   8  11.490  -7.253   6.479
   69   1HD1  LEU   8          1HD1      LEU   8  11.781  -5.370   8.013
   70   2HD1  LEU   8          2HD1      LEU   8  10.191  -4.762   7.551
   71   3HD1  LEU   8          3HD1      LEU   8  11.488  -4.836   6.357
   72   1HD2  LEU   8          1HD2      LEU   8   9.637  -6.776   8.737
   73   2HD2  LEU   8          2HD2      LEU   8  10.908  -7.983   8.552
   74   3HD2  LEU   8          3HD2      LEU   8   9.358  -8.203   7.740
   75    H    LEU   9           H        LEU   9   6.815  -7.318   4.389
   76    HA   LEU   9           HA       LEU   9   6.722  -5.167   2.511
   77   1HB   LEU   9          2HB       LEU   9   6.725  -7.529   1.824
   78   2HB   LEU   9          1HB       LEU   9   5.165  -7.749   2.595
   79    HG   LEU   9           HG       LEU   9   4.258  -6.008   0.993
   80   1HD1  LEU   9          1HD1      LEU   9   6.526  -6.594  -0.818
   81   2HD1  LEU   9          2HD1      LEU   9   6.791  -5.396   0.450
   82   3HD1  LEU   9          3HD1      LEU   9   5.489  -5.171  -0.718
   83   1HD2  LEU   9          1HD2      LEU   9   3.789  -8.353   0.682
   84   2HD2  LEU   9          2HD2      LEU   9   5.357  -8.602  -0.086
   85   3HD2  LEU   9          3HD2      LEU   9   4.130  -7.619  -0.885
   86    H    ILE  10           H        ILE  10   4.370  -6.664   4.698
   87    HA   ILE  10           HA       ILE  10   2.253  -4.951   3.919
   88    HB   ILE  10           HB       ILE  10   2.568  -6.624   6.406
   89   1HG1  ILE  10          2HG1      ILE  10   0.812  -7.154   4.023
   90   2HG1  ILE  10          1HG1      ILE  10   2.497  -7.661   4.044
   91   1HG2  ILE  10          1HG2      ILE  10   0.050  -5.372   5.315
   92   2HG2  ILE  10          2HG2      ILE  10   0.950  -4.755   6.701
   93   3HG2  ILE  10          3HG2      ILE  10   0.203  -6.351   6.773
   94   1HD1  ILE  10          1HD1      ILE  10   2.096  -9.350   5.446
   95   2HD1  ILE  10          2HD1      ILE  10   0.443  -9.171   4.874
   96   3HD1  ILE  10          3HD1      ILE  10   0.931  -8.430   6.394
   97    H    GLU  11           H        GLU  11   4.764  -4.765   6.349
   98    HA   GLU  11           HA       GLU  11   3.702  -2.621   7.839
   99   1HB   GLU  11          2HB       GLU  11   6.396  -3.816   7.468
  100   2HB   GLU  11          1HB       GLU  11   6.322  -2.206   8.155
  101   1HG   GLU  11          2HG       GLU  11   4.545  -4.267   9.321
  102   2HG   GLU  11          1HG       GLU  11   6.273  -4.397   9.644
  103    H    SER  12           H        SER  12   5.348  -2.800   4.777
  104    HA   SER  12           HA       SER  12   6.018  -0.020   4.629
  105   1HB   SER  12          2HB       SER  12   6.819  -2.196   3.220
  106   2HB   SER  12          1HB       SER  12   5.629  -1.526   2.105
  107    HG   SER  12           HG       SER  12   7.701  -0.653   1.737
  108    H    TYR  13           H        TYR  13   3.411  -2.056   3.362
  109    HA   TYR  13           HA       TYR  13   2.039   0.028   2.015
  110   1HB   TYR  13          2HB       TYR  13   1.674  -2.404   1.592
  111   2HB   TYR  13          1HB       TYR  13   0.884  -2.525   3.159
  112    HD1  TYR  13           1HD      TYR  13   0.655  -0.783  -0.122
  113    HD2  TYR  13           2HD      TYR  13  -1.404  -2.099   3.362
  114    HE1  TYR  13           1HE      TYR  13  -1.487  -0.153  -1.155
  115    HE2  TYR  13           2HE      TYR  13  -3.550  -1.477   2.337
  116    HH   TYR  13           HH       TYR  13  -4.249   0.285   0.456
  117    H    PHE  14           H        PHE  14   1.859  -1.329   5.258
  118    HA   PHE  14           HA       PHE  14  -0.387   0.204   6.093
  119   1HB   PHE  14          2HB       PHE  14   1.736  -1.326   7.569
  120   2HB   PHE  14          1HB       PHE  14   0.471  -0.456   8.416
  121    HD1  PHE  14           1HD      PHE  14   0.009  -2.715   9.430
  122    HD2  PHE  14           2HD      PHE  14  -0.579  -1.918   5.286
  123    HE1  PHE  14           1HE      PHE  14  -1.440  -4.695   9.254
  124    HE2  PHE  14           2HE      PHE  14  -2.030  -3.893   5.109
  125    HZ   PHE  14           HZ       PHE  14  -2.461  -5.291   7.090
  126    H    LYS  15           H        LYS  15   3.109   0.559   6.441
  127    HA   LYS  15           HA       LYS  15   3.053   2.920   7.988
  128   1HB   LYS  15          2HB       LYS  15   5.130   1.617   6.250
  129   2HB   LYS  15          1HB       LYS  15   5.429   3.181   6.988
  130   1HG   LYS  15          2HG       LYS  15   4.622   0.764   8.576
  131   2HG   LYS  15          1HG       LYS  15   6.303   1.177   8.235
  132   1HD   LYS  15          2HD       LYS  15   6.139   2.300  10.187
  133   2HD   LYS  15          1HD       LYS  15   5.411   3.543   9.168
  134   1HE   LYS  15          2HE       LYS  15   3.336   3.200  10.000
  135   2HE   LYS  15          1HE       LYS  15   3.580   1.463  10.177
  136   1HZ   LYS  15          1HZ       LYS  15   5.030   2.001  12.118
  137   2HZ   LYS  15          2HZ       LYS  15   3.397   2.381  12.336
  138   3HZ   LYS  15          3HZ       LYS  15   4.511   3.608  12.001
  139    H    ALA  16           H        ALA  16   3.437   2.355   4.509
  140    HA   ALA  16           HA       ALA  16   3.704   5.024   3.729
  141   1HB   ALA  16          1HB       ALA  16   2.630   2.655   2.210
  142   2HB   ALA  16          2HB       ALA  16   4.286   3.261   2.216
  143   3HB   ALA  16          3HB       ALA  16   3.000   4.218   1.483
  144    H    THR  17           H        THR  17   0.818   3.100   4.352
  145    HA   THR  17           HA       THR  17  -0.994   4.979   3.218
  146    HB   THR  17           HB       THR  17  -2.717   3.748   4.565
  147    HG1  THR  17           1HG      THR  17  -2.122   2.413   6.063
  148   1HG2  THR  17          1HG2      THR  17  -1.016   2.603   2.519
  149   2HG2  THR  17          2HG2      THR  17  -2.769   2.551   2.701
  150   3HG2  THR  17          3HG2      THR  17  -1.759   1.382   3.552
  151    H    GLU  18           H        GLU  18   0.503   4.589   6.352
  152    HA   GLU  18           HA       GLU  18  -1.166   6.507   7.673
  153   1HB   GLU  18          2HB       GLU  18   1.052   4.744   8.387
  154   2HB   GLU  18          1HB       GLU  18   1.111   6.294   9.214
  155   1HG   GLU  18          2HG       GLU  18  -0.818   5.906  10.375
  156   2HG   GLU  18          1HG       GLU  18  -1.464   4.810   9.155
  157    H    MET  19           H        MET  19   2.138   6.535   6.406
  158    HA   MET  19           HA       MET  19   2.477   9.331   7.021
  159   1HB   MET  19          2HB       MET  19   4.689   9.067   6.187
  160   2HB   MET  19          1HB       MET  19   4.316   7.661   7.162
  161   1HG   MET  19          2HG       MET  19   4.005   6.318   5.210
  162   2HG   MET  19          1HG       MET  19   4.147   7.726   4.162
  163   1HE   MET  19          1HE       MET  19   5.602   4.843   4.266
  164   2HE   MET  19          2HE       MET  19   6.146   4.843   5.942
  165   3HE   MET  19          3HE       MET  19   7.325   4.912   4.632
  166    H    ASN  20           H        ASN  20   1.050   7.651   4.490
  167    HA   ASN  20           HA       ASN  20   0.225   8.264   2.474
  168   1HB   ASN  20          2HB       ASN  20   0.856  10.936   3.653
  169   2HB   ASN  20          1HB       ASN  20   0.462  10.840   1.942
  170   1HD2  ASN  20          1HD2      ASN  20  -0.698  10.349   5.188
  171   2HD2  ASN  20          2HD2      ASN  20  -2.378  10.296   4.792
  172    H    LEU  21           H        LEU  21   2.749   7.191   2.617
  173    HA   LEU  21           HA       LEU  21   4.798   8.539   1.289
  174   1HB   LEU  21          2HB       LEU  21   4.692   6.204   2.483
  175   2HB   LEU  21          1HB       LEU  21   4.333   5.609   0.875
  176    HG   LEU  21           HG       LEU  21   6.754   7.309   1.316
  177   1HD1  LEU  21          1HD1      LEU  21   7.496   5.846   2.834
  178   2HD1  LEU  21          2HD1      LEU  21   7.758   4.789   1.449
  179   3HD1  LEU  21          3HD1      LEU  21   6.288   4.634   2.409
  180   1HD2  LEU  21          1HD2      LEU  21   5.611   5.815  -0.843
  181   2HD2  LEU  21          2HD2      LEU  21   7.184   5.132  -0.436
  182   3HD2  LEU  21          3HD2      LEU  21   7.045   6.842  -0.838
  183    H    ASN  22           H        ASN  22   5.579   8.194  -0.936
  184    HA   ASN  22           HA       ASN  22   3.934   9.025  -2.913
  185   1HB   ASN  22          2HB       ASN  22   6.487   8.588  -2.932
  186   2HB   ASN  22          1HB       ASN  22   6.056   7.005  -3.571
  187   1HD2  ASN  22          1HD2      ASN  22   7.415   7.920  -5.352
  188   2HD2  ASN  22          2HD2      ASN  22   6.597   8.804  -6.591
  189    H    ARG  23           H        ARG  23   2.484   8.229  -4.333
  190    HA   ARG  23           HA       ARG  23   1.004   5.962  -3.751
  191   1HB   ARG  23          2HB       ARG  23   0.310   7.923  -5.171
  192   2HB   ARG  23          1HB       ARG  23   1.234   7.211  -6.486
  193   1HG   ARG  23          2HG       ARG  23  -0.464   5.903  -7.029
  194   2HG   ARG  23          1HG       ARG  23  -0.507   5.226  -5.400
  195   1HD   ARG  23          2HD       ARG  23  -1.885   7.146  -4.678
  196   2HD   ARG  23          1HD       ARG  23  -1.887   7.742  -6.338
  197    HE   ARG  23           HE       ARG  23  -3.533   6.243  -6.809
  198   1HH1  ARG  23          1HH1      ARG  23  -1.868   5.135  -3.939
  199   2HH1  ARG  23          2HH1      ARG  23  -2.955   3.813  -3.673
  200   1HH2  ARG  23          1HH2      ARG  23  -4.957   4.507  -6.451
  201   2HH2  ARG  23          2HH2      ARG  23  -4.705   3.457  -5.097
  202    H    ASP  24           H        ASP  24   3.859   6.271  -5.734
  203    HA   ASP  24           HA       ASP  24   3.576   3.839  -7.138
  204   1HB   ASP  24          2HB       ASP  24   5.906   5.632  -6.529
  205   2HB   ASP  24          1HB       ASP  24   6.166   4.077  -7.313
  206    H    PHE  25           H        PHE  25   4.937   4.633  -4.005
  207    HA   PHE  25           HA       PHE  25   6.107   2.059  -3.570
  208   1HB   PHE  25          2HB       PHE  25   6.631   4.364  -2.422
  209   2HB   PHE  25          1HB       PHE  25   5.326   3.902  -1.336
  210    HD1  PHE  25           1HD      PHE  25   6.291   3.342   0.680
  211    HD2  PHE  25           2HD      PHE  25   8.011   1.869  -2.924
  212    HE1  PHE  25           1HE      PHE  25   7.869   1.984   1.992
  213    HE2  PHE  25           2HE      PHE  25   9.590   0.507  -1.618
  214    HZ   PHE  25           HZ       PHE  25   9.520   0.563   0.843
  215    H    ILE  26           H        ILE  26   3.150   3.710  -2.580
  216    HA   ILE  26           HA       ILE  26   2.080   1.658  -0.988
  217    HB   ILE  26           HB       ILE  26   0.717   3.851  -2.561
  218   1HG1  ILE  26          2HG1      ILE  26   1.473   3.586   0.358
  219   2HG1  ILE  26          1HG1      ILE  26   2.211   4.664  -0.823
  220   1HG2  ILE  26          1HG2      ILE  26  -0.448   1.986  -0.489
  221   2HG2  ILE  26          2HG2      ILE  26  -0.924   2.127  -2.181
  222   3HG2  ILE  26          3HG2      ILE  26  -1.236   3.454  -1.064
  223   1HD1  ILE  26          1HD1      ILE  26  -0.432   4.862   0.536
  224   2HD1  ILE  26          2HD1      ILE  26  -0.204   5.614  -1.043
  225   3HD1  ILE  26          3HD1      ILE  26   0.818   6.087   0.315
  226    H    GLU  27           H        GLU  27   1.760   2.384  -4.448
  227    HA   GLU  27           HA       GLU  27  -0.022   0.209  -4.950
  228   1HB   GLU  27          2HB       GLU  27   0.631   2.442  -6.339
  229   2HB   GLU  27          1HB       GLU  27   1.611   1.254  -7.184
  230   1HG   GLU  27          2HG       GLU  27  -0.205   0.873  -8.406
  231   2HG   GLU  27          1HG       GLU  27  -0.802  -0.014  -7.003
  232    H    LEU  28           H        LEU  28   3.430   0.692  -5.027
  233    HA   LEU  28           HA       LEU  28   4.108  -1.702  -6.382
  234   1HB   LEU  28          2HB       LEU  28   5.778  -0.067  -6.371
  235   2HB   LEU  28          1HB       LEU  28   5.565   0.281  -4.669
  236    HG   LEU  28           HG       LEU  28   6.675  -2.377  -5.477
  237   1HD1  LEU  28          1HD1      LEU  28   8.954  -1.227  -5.215
  238   2HD1  LEU  28          2HD1      LEU  28   8.086   0.267  -5.566
  239   3HD1  LEU  28          3HD1      LEU  28   8.105  -1.040  -6.749
  240   1HD2  LEU  28          1HD2      LEU  28   6.716  -0.578  -3.096
  241   2HD2  LEU  28          2HD2      LEU  28   8.023  -1.738  -3.334
  242   3HD2  LEU  28          3HD2      LEU  28   6.358  -2.302  -3.195
  243    H    ILE  29           H        ILE  29   3.896  -0.837  -2.947
  244    HA   ILE  29           HA       ILE  29   4.637  -3.411  -1.999
  245    HB   ILE  29           HB       ILE  29   3.012  -1.320  -0.542
  246   1HG1  ILE  29          2HG1      ILE  29   5.922  -1.605  -0.050
  247   2HG1  ILE  29          1HG1      ILE  29   5.464  -0.852  -1.572
  248   1HG2  ILE  29          1HG2      ILE  29   3.945  -2.384   1.468
  249   2HG2  ILE  29          2HG2      ILE  29   4.716  -3.599   0.449
  250   3HG2  ILE  29          3HG2      ILE  29   2.958  -3.494   0.520
  251   1HD1  ILE  29          1HD1      ILE  29   3.873   0.373   0.361
  252   2HD1  ILE  29          2HD1      ILE  29   5.270   1.055  -0.471
  253   3HD1  ILE  29          3HD1      ILE  29   5.478   0.242   1.080
  254    H    GLU  30           H        GLU  30   1.631  -1.898  -2.938
  255    HA   GLU  30           HA       GLU  30  -0.049  -3.966  -1.866
  256   1HB   GLU  30          2HB       GLU  30  -0.683  -1.515  -2.373
  257   2HB   GLU  30          1HB       GLU  30  -0.843  -2.045  -4.041
  258   1HG   GLU  30          2HG       GLU  30  -2.303  -3.921  -2.690
  259   2HG   GLU  30          1HG       GLU  30  -2.612  -2.455  -1.762
  260    H    ASN  31           H        ASN  31   1.529  -3.268  -4.905
  261    HA   ASN  31           HA       ASN  31   0.132  -5.190  -6.463
  262   1HB   ASN  31          2HB       ASN  31   2.617  -3.562  -6.796
  263   2HB   ASN  31          1HB       ASN  31   2.349  -4.917  -7.887
  264   1HD2  ASN  31          1HD2      ASN  31   2.492  -2.562  -9.041
  265   2HD2  ASN  31          2HD2      ASN  31   0.938  -1.981  -9.525
  266    H    GLU  32           H        GLU  32   2.861  -5.341  -4.308
  267    HA   GLU  32           HA       GLU  32   3.739  -7.931  -5.238
  268   1HB   GLU  32          2HB       GLU  32   5.216  -6.142  -4.144
  269   2HB   GLU  32          1HB       GLU  32   4.480  -6.624  -2.621
  270   1HG   GLU  32          2HG       GLU  32   6.428  -7.855  -2.661
  271   2HG   GLU  32          1HG       GLU  32   5.235  -9.002  -3.269
  272    H    ILE  33           H        ILE  33   2.055  -6.598  -2.444
  273    HA   ILE  33           HA       ILE  33   1.575  -9.054  -1.126
  274    HB   ILE  33           HB       ILE  33   0.021  -6.458  -1.001
  275   1HG1  ILE  33          2HG1      ILE  33   2.057  -7.408   0.996
  276   2HG1  ILE  33          1HG1      ILE  33   2.541  -6.500  -0.433
  277   1HG2  ILE  33          1HG2      ILE  33  -1.044  -7.199   0.926
  278   2HG2  ILE  33          2HG2      ILE  33   0.135  -8.479   1.207
  279   3HG2  ILE  33          3HG2      ILE  33  -1.049  -8.640  -0.087
  280   1HD1  ILE  33          1HD1      ILE  33   2.271  -5.095   1.565
  281   2HD1  ILE  33          2HD1      ILE  33   0.566  -5.543   1.624
  282   3HD1  ILE  33          3HD1      ILE  33   1.191  -4.629   0.251
  283    H    LYS  34           H        LYS  34  -0.071  -7.284  -3.672
  284    HA   LYS  34           HA       LYS  34  -2.482  -8.793  -3.616
  285   1HB   LYS  34          2HB       LYS  34  -1.207  -6.854  -5.485
  286   2HB   LYS  34          1HB       LYS  34  -2.487  -7.880  -6.118
  287   1HG   LYS  34          2HG       LYS  34  -3.120  -6.614  -3.556
  288   2HG   LYS  34          1HG       LYS  34  -2.864  -5.484  -4.885
  289   1HD   LYS  34          2HD       LYS  34  -4.580  -6.485  -6.183
  290   2HD   LYS  34          1HD       LYS  34  -4.685  -7.872  -5.095
  291   1HE   LYS  34          2HE       LYS  34  -5.504  -6.404  -3.313
  292   2HE   LYS  34          1HE       LYS  34  -5.404  -5.024  -4.406
  293   1HZ   LYS  34          1HZ       LYS  34  -7.128  -7.409  -4.814
  294   2HZ   LYS  34          2HZ       LYS  34  -7.055  -6.053  -5.822
  295   3HZ   LYS  34          3HZ       LYS  34  -7.658  -5.904  -4.250
  296    H    ARG  35           H        ARG  35   0.497  -8.974  -5.524
  297    HA   ARG  35           HA       ARG  35  -0.332 -11.230  -7.059
  298   1HB   ARG  35          2HB       ARG  35   1.525  -9.509  -7.582
  299   2HB   ARG  35          1HB       ARG  35   2.535 -10.491  -6.531
  300   1HG   ARG  35          2HG       ARG  35   2.651 -12.209  -8.011
  301   2HG   ARG  35          1HG       ARG  35   1.056 -11.880  -8.689
  302   1HD   ARG  35          2HD       ARG  35   2.385  -9.643  -9.425
  303   2HD   ARG  35          1HD       ARG  35   3.697 -10.820  -9.446
  304    HE   ARG  35           HE       ARG  35   1.469 -10.665 -11.260
  305   1HH1  ARG  35          1HH1      ARG  35   3.933 -12.756  -9.917
  306   2HH1  ARG  35          2HH1      ARG  35   3.900 -13.853 -11.256
  307   1HH2  ARG  35          1HH2      ARG  35   1.434 -12.112 -13.014
  308   2HH2  ARG  35          2HH2      ARG  35   2.485 -13.489 -13.010
  309    H    ARG  36           H        ARG  36   1.053 -10.790  -3.915
  310    HA   ARG  36           HA       ARG  36   2.007 -13.498  -3.658
  311   1HB   ARG  36          2HB       ARG  36   1.910 -11.074  -1.916
  312   2HB   ARG  36          1HB       ARG  36   2.124 -12.640  -1.156
  313   1HG   ARG  36          2HG       ARG  36   4.114 -13.040  -2.504
  314   2HG   ARG  36          1HG       ARG  36   3.890 -11.481  -3.302
  315   1HD   ARG  36          2HD       ARG  36   4.797 -10.357  -1.593
  316   2HD   ARG  36          1HD       ARG  36   3.906 -11.290  -0.391
  317    HE   ARG  36           HE       ARG  36   6.095 -12.716  -1.600
  318   1HH1  ARG  36          1HH1      ARG  36   5.158 -10.558   0.990
  319   2HH1  ARG  36          2HH1      ARG  36   6.491 -11.000   2.001
  320   1HH2  ARG  36          1HH2      ARG  36   7.843 -13.291  -0.264
  321   2HH2  ARG  36          2HH2      ARG  36   8.013 -12.547   1.291
  322    H    SER  37           H        SER  37  -1.060 -12.423  -3.829
  323    HA   SER  37           HA       SER  37  -3.076 -13.199  -3.122
  324   1HB   SER  37          2HB       SER  37  -2.179 -15.391  -3.756
  325   2HB   SER  37          1HB       SER  37  -1.420 -15.551  -2.172
  326    HG   SER  37           HG       SER  37  -4.150 -15.628  -2.851
  327    H    LEU  38           H        LEU  38  -1.558 -11.470  -1.433
  328    HA   LEU  38           HA       LEU  38  -2.571 -12.275   1.221
  329   1HB   LEU  38          2HB       LEU  38  -0.007 -12.128   0.743
  330   2HB   LEU  38          1HB       LEU  38  -0.274 -10.401   0.882
  331    HG   LEU  38           HG       LEU  38  -1.312 -10.881   3.151
  332   1HD1  LEU  38          1HD1      LEU  38   0.155 -13.490   2.878
  333   2HD1  LEU  38          2HD1      LEU  38  -1.588 -13.334   2.659
  334   3HD1  LEU  38          3HD1      LEU  38  -0.856 -12.944   4.216
  335   1HD2  LEU  38          1HD2      LEU  38   1.602 -11.517   2.726
  336   2HD2  LEU  38          2HD2      LEU  38   0.863 -11.014   4.245
  337   3HD2  LEU  38          3HD2      LEU  38   0.903  -9.904   2.876
  338    H    GLY  39           H        GLY  39  -3.617 -10.479  -1.125
  339   1HA   GLY  39          2HA       GLY  39  -3.629  -7.818  -0.247
  340   2HA   GLY  39          1HA       GLY  39  -4.856  -8.536  -1.270
  341    H    HIS  40           H        HIS  40  -5.412 -10.581   0.889
  342    HA   HIS  40           HA       HIS  40  -7.557  -9.264   2.128
  343   1HB   HIS  40          2HB       HIS  40  -7.273 -11.761   1.764
  344   2HB   HIS  40          1HB       HIS  40  -6.232 -11.743   3.179
  345    HD1  HIS  40           1HD      HIS  40  -9.751 -11.848   2.161
  346    HD2  HIS  40           2HD      HIS  40  -7.602 -11.033   5.622
  347    HE1  HIS  40           1HE      HIS  40 -11.424 -11.967   4.034
  348    HE2  HIS  40           2HE      HIS  40 -10.079 -11.578   6.128
  349    H    ILE  41           H        ILE  41  -4.217  -9.589   2.998
  350    HA   ILE  41           HA       ILE  41  -4.492  -8.957   5.759
  351    HB   ILE  41           HB       ILE  41  -2.538 -10.119   4.513
  352   1HG1  ILE  41          2HG1      ILE  41  -0.949  -9.454   6.253
  353   2HG1  ILE  41          1HG1      ILE  41  -1.956  -8.065   6.647
  354   1HG2  ILE  41          1HG2      ILE  41  -1.142  -7.521   4.456
  355   2HG2  ILE  41          2HG2      ILE  41  -2.269  -7.846   3.139
  356   3HG2  ILE  41          3HG2      ILE  41  -0.930  -8.950   3.445
  357   1HD1  ILE  41          1HD1      ILE  41  -3.226  -9.299   7.976
  358   2HD1  ILE  41          2HD1      ILE  41  -2.075 -10.615   7.746
  359   3HD1  ILE  41          3HD1      ILE  41  -3.494 -10.492   6.705
  360    H    ILE  42           H        ILE  42  -4.152  -7.110   2.828
  361    HA   ILE  42           HA       ILE  42  -3.765  -4.600   4.272
  362    HB   ILE  42           HB       ILE  42  -3.685  -3.614   1.939
  363   1HG1  ILE  42          2HG1      ILE  42  -3.468  -6.498   1.114
  364   2HG1  ILE  42          1HG1      ILE  42  -4.902  -5.513   0.879
  365   1HG2  ILE  42          1HG2      ILE  42  -1.656  -4.064   3.158
  366   2HG2  ILE  42          2HG2      ILE  42  -1.439  -4.453   1.451
  367   3HG2  ILE  42          3HG2      ILE  42  -1.684  -5.746   2.627
  368   1HD1  ILE  42          1HD1      ILE  42  -3.760  -5.508  -1.173
  369   2HD1  ILE  42          2HD1      ILE  42  -2.207  -5.207  -0.394
  370   3HD1  ILE  42          3HD1      ILE  42  -3.431  -3.938  -0.441
  371    H    SER  43           H        SER  43  -5.127  -2.757   3.827
  372    HA   SER  43           HA       SER  43  -7.930  -3.527   3.556
  373   1HB   SER  43          2HB       SER  43  -7.293  -2.105   5.473
  374   2HB   SER  43          1HB       SER  43  -6.702  -0.873   4.359
  375    HG   SER  43           HG       SER  43  -8.807  -0.610   3.601
  376    H    VAL  44           H        VAL  44  -7.576  -3.962   1.252
  377    HA   VAL  44           HA       VAL  44  -6.959  -1.803  -0.528
  378    HB   VAL  44           HB       VAL  44  -8.417  -4.212  -1.529
  379   1HG1  VAL  44          1HG1      VAL  44  -6.074  -2.595  -2.505
  380   2HG1  VAL  44          2HG1      VAL  44  -7.728  -2.547  -3.115
  381   3HG1  VAL  44          3HG1      VAL  44  -6.746  -3.995  -3.340
  382   1HG2  VAL  44          1HG2      VAL  44  -6.182  -5.404  -1.632
  383   2HG2  VAL  44          2HG2      VAL  44  -6.963  -5.339  -0.051
  384   3HG2  VAL  44          3HG2      VAL  44  -5.629  -4.248  -0.422
  385    H    SER  45           H        SER  45  -8.288  -0.347  -1.414
  386    HA   SER  45           HA       SER  45 -11.015  -0.211  -0.573
  387   1HB   SER  45          2HB       SER  45 -11.106   1.819  -2.001
  388   2HB   SER  45          1HB       SER  45  -9.731   1.836  -0.896
  389    HG   SER  45           HG       SER  45  -9.532   2.295  -3.358
  390    H    SER  46           H        SER  46 -12.057  -2.034  -1.371
  391    HA   SER  46           HA       SER  46 -12.987  -1.799  -4.090
  392   1HB   SER  46          2HB       SER  46 -12.339  -4.065  -4.776
  393   2HB   SER  46          1HB       SER  46 -10.914  -3.093  -4.409
  394    HG   SER  46           HG       SER  46 -10.609  -5.012  -3.385
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  12.233  -5.398  -1.752
    2   2H    MET   1          2HT       MET   1  12.203  -4.665  -3.305
    3   3H    MET   1          3HT       MET   1  12.223  -6.375  -3.159
    4    HA   MET   1           HA       MET   1  10.072  -4.641  -2.151
    5   1HB   MET   1          2HB       MET   1  10.709  -5.025  -4.778
    6   2HB   MET   1          1HB       MET   1   9.616  -6.372  -4.497
    7   1HG   MET   1          2HG       MET   1   9.032  -3.453  -4.072
    8   2HG   MET   1          1HG       MET   1   8.383  -4.495  -5.337
    9   1HE   MET   1          1HE       MET   1   6.827  -3.366  -1.493
   10   2HE   MET   1          2HE       MET   1   8.505  -3.226  -2.015
   11   3HE   MET   1          3HE       MET   1   8.013  -4.565  -0.979
   12    H    ARG   2           H        ARG   2  10.564  -7.871  -3.582
   13    HA   ARG   2           HA       ARG   2   8.692  -9.031  -1.712
   14   1HB   ARG   2          2HB       ARG   2   9.005 -11.088  -2.971
   15   2HB   ARG   2          1HB       ARG   2   8.721  -9.741  -4.064
   16   1HG   ARG   2          2HG       ARG   2  11.547 -10.188  -3.534
   17   2HG   ARG   2          1HG       ARG   2  10.749 -11.589  -4.250
   18   1HD   ARG   2          2HD       ARG   2  10.402  -8.830  -5.381
   19   2HD   ARG   2          1HD       ARG   2  11.774  -9.843  -5.828
   20    HE   ARG   2           HE       ARG   2   9.569 -11.421  -6.216
   21   1HH1  ARG   2          1HH1      ARG   2  10.639  -8.319  -7.428
   22   2HH1  ARG   2          2HH1      ARG   2   9.828  -8.498  -8.946
   23   1HH2  ARG   2          1HH2      ARG   2   8.508 -11.649  -8.213
   24   2HH2  ARG   2          2HH2      ARG   2   8.620 -10.384  -9.392
   25    H    LYS   3           H        LYS   3  12.130  -8.711  -1.982
   26    HA   LYS   3           HA       LYS   3  13.085 -10.907  -0.619
   27   1HB   LYS   3          2HB       LYS   3  14.260  -8.766  -1.664
   28   2HB   LYS   3          1HB       LYS   3  14.278  -8.253   0.019
   29   1HG   LYS   3          2HG       LYS   3  15.493 -10.270   0.638
   30   2HG   LYS   3          1HG       LYS   3  15.450 -10.817  -1.040
   31   1HD   LYS   3          2HD       LYS   3  16.579  -8.516  -1.524
   32   2HD   LYS   3          1HD       LYS   3  17.002  -8.577   0.188
   33   1HE   LYS   3          2HE       LYS   3  18.420 -10.349  -0.082
   34   2HE   LYS   3          1HE       LYS   3  17.531 -10.988  -1.465
   35   1HZ   LYS   3          1HZ       LYS   3  18.405  -9.083  -2.765
   36   2HZ   LYS   3          2HZ       LYS   3  19.607 -10.144  -2.228
   37   3HZ   LYS   3          3HZ       LYS   3  19.376  -8.663  -1.445
   38    H    LEU   4           H        LEU   4  11.309  -8.200   0.645
   39    HA   LEU   4           HA       LEU   4  12.003  -8.786   3.399
   40   1HB   LEU   4          2HB       LEU   4   9.775  -6.958   2.596
   41   2HB   LEU   4          1HB       LEU   4  10.837  -6.861   3.987
   42    HG   LEU   4           HG       LEU   4  11.557  -6.202   1.130
   43   1HD1  LEU   4          1HD1      LEU   4  11.968  -3.946   2.155
   44   2HD1  LEU   4          2HD1      LEU   4  11.157  -4.538   3.605
   45   3HD1  LEU   4          3HD1      LEU   4  10.278  -4.444   2.079
   46   1HD2  LEU   4          1HD2      LEU   4  13.420  -7.287   2.314
   47   2HD2  LEU   4          2HD2      LEU   4  13.284  -6.088   3.600
   48   3HD2  LEU   4          3HD2      LEU   4  13.744  -5.588   1.973
   49    H    SER   5           H        SER   5  10.601  -9.581   4.963
   50    HA   SER   5           HA       SER   5   8.807 -11.599   4.148
   51   1HB   SER   5          2HB       SER   5   9.198 -10.281   6.840
   52   2HB   SER   5          1HB       SER   5   8.208 -11.715   6.572
   53    HG   SER   5           HG       SER   5  10.204 -12.433   7.175
   54    H    ASP   6           H        ASP   6   6.501 -11.729   4.871
   55    HA   ASP   6           HA       ASP   6   4.992  -9.681   3.691
   56   1HB   ASP   6          2HB       ASP   6   3.693 -11.369   5.799
   57   2HB   ASP   6          1HB       ASP   6   3.080 -10.864   4.233
   58    H    GLU   7           H        GLU   7   6.268 -10.020   6.890
   59    HA   GLU   7           HA       GLU   7   4.531  -8.122   8.138
   60   1HB   GLU   7          2HB       GLU   7   6.918  -9.677   8.889
   61   2HB   GLU   7          1HB       GLU   7   6.780  -8.120   9.692
   62   1HG   GLU   7          2HG       GLU   7   4.307  -9.682   9.662
   63   2HG   GLU   7          1HG       GLU   7   5.637 -10.431  10.543
   64    H    LEU   8           H        LEU   8   7.703  -8.029   6.642
   65    HA   LEU   8           HA       LEU   8   8.105  -5.232   7.182
   66   1HB   LEU   8          2HB       LEU   8   9.582  -7.351   5.702
   67   2HB   LEU   8          1HB       LEU   8   9.956  -5.671   5.361
   68    HG   LEU   8           HG       LEU   8  11.448  -6.703   7.047
   69   1HD1  LEU   8          1HD1      LEU   8  11.660  -4.778   8.255
   70   2HD1  LEU   8          2HD1      LEU   8   9.921  -4.606   8.490
   71   3HD1  LEU   8          3HD1      LEU   8  10.643  -4.208   6.932
   72   1HD2  LEU   8          1HD2      LEU   8  10.742  -7.559   9.037
   73   2HD2  LEU   8          2HD2      LEU   8   9.348  -7.968   8.037
   74   3HD2  LEU   8          3HD2      LEU   8   9.298  -6.548   9.082
   75    H    LEU   9           H        LEU   9   6.894  -7.206   4.565
   76    HA   LEU   9           HA       LEU   9   6.841  -5.104   2.625
   77   1HB   LEU   9          2HB       LEU   9   6.989  -7.385   1.871
   78   2HB   LEU   9          1HB       LEU   9   5.526  -7.816   2.736
   79    HG   LEU   9           HG       LEU   9   4.346  -6.129   1.179
   80   1HD1  LEU   9          1HD1      LEU   9   6.832  -6.648  -0.444
   81   2HD1  LEU   9          2HD1      LEU   9   6.421  -5.113   0.321
   82   3HD1  LEU   9          3HD1      LEU   9   5.400  -5.759  -0.963
   83   1HD2  LEU   9          1HD2      LEU   9   4.062  -8.568   1.090
   84   2HD2  LEU   9          2HD2      LEU   9   5.471  -8.685   0.037
   85   3HD2  LEU   9          3HD2      LEU   9   4.024  -7.840  -0.515
   86    H    ILE  10           H        ILE  10   4.407  -6.684   4.663
   87    HA   ILE  10           HA       ILE  10   2.280  -5.061   3.758
   88    HB   ILE  10           HB       ILE  10   2.535  -6.687   6.281
   89   1HG1  ILE  10          2HG1      ILE  10   0.835  -7.312   3.892
   90   2HG1  ILE  10          1HG1      ILE  10   2.549  -7.719   3.895
   91   1HG2  ILE  10          1HG2      ILE  10   0.832  -5.217   6.852
   92   2HG2  ILE  10          2HG2      ILE  10  -0.054  -6.554   6.117
   93   3HG2  ILE  10          3HG2      ILE  10   0.252  -5.084   5.191
   94   1HD1  ILE  10          1HD1      ILE  10   2.262  -9.423   5.293
   95   2HD1  ILE  10          2HD1      ILE  10   0.581  -9.324   4.784
   96   3HD1  ILE  10          3HD1      ILE  10   1.093  -8.553   6.281
   97    H    GLU  11           H        GLU  11   4.515  -4.827   6.477
   98    HA   GLU  11           HA       GLU  11   3.321  -2.642   7.769
   99   1HB   GLU  11          2HB       GLU  11   6.101  -3.714   7.651
  100   2HB   GLU  11          1HB       GLU  11   5.827  -2.154   8.388
  101   1HG   GLU  11          2HG       GLU  11   4.315  -3.128   9.994
  102   2HG   GLU  11          1HG       GLU  11   4.454  -4.701   9.209
  103    H    SER  12           H        SER  12   5.298  -2.879   4.907
  104    HA   SER  12           HA       SER  12   5.989  -0.127   4.719
  105   1HB   SER  12          2HB       SER  12   6.812  -2.328   3.390
  106   2HB   SER  12          1HB       SER  12   5.663  -1.693   2.213
  107    HG   SER  12           HG       SER  12   8.083  -0.641   3.092
  108    H    TYR  13           H        TYR  13   3.401  -2.104   3.331
  109    HA   TYR  13           HA       TYR  13   2.139  -0.037   1.877
  110   1HB   TYR  13          2HB       TYR  13   1.696  -2.430   1.485
  111   2HB   TYR  13          1HB       TYR  13   0.943  -2.551   3.069
  112    HD1  TYR  13           1HD      TYR  13   0.647  -0.583  -0.091
  113    HD2  TYR  13           2HD      TYR  13  -1.355  -2.378   3.205
  114    HE1  TYR  13           1HE      TYR  13  -1.518   0.034  -1.080
  115    HE2  TYR  13           2HE      TYR  13  -3.527  -1.768   2.226
  116    HH   TYR  13           HH       TYR  13  -4.248  -1.250  -0.476
  117    H    PHE  14           H        PHE  14   1.743  -1.279   5.139
  118    HA   PHE  14           HA       PHE  14  -0.488   0.330   5.834
  119   1HB   PHE  14          2HB       PHE  14   1.537  -1.156   7.489
  120   2HB   PHE  14          1HB       PHE  14   0.166  -0.322   8.190
  121    HD1  PHE  14           1HD      PHE  14  -0.100  -2.713   9.147
  122    HD2  PHE  14           2HD      PHE  14  -0.733  -1.736   5.050
  123    HE1  PHE  14           1HE      PHE  14  -1.452  -4.749   8.870
  124    HE2  PHE  14           2HE      PHE  14  -2.083  -3.768   4.771
  125    HZ   PHE  14           HZ       PHE  14  -2.444  -5.285   6.679
  126    H    LYS  15           H        LYS  15   2.981   0.595   6.533
  127    HA   LYS  15           HA       LYS  15   2.888   2.968   8.017
  128   1HB   LYS  15          2HB       LYS  15   4.995   1.494   6.518
  129   2HB   LYS  15          1HB       LYS  15   5.327   3.163   6.928
  130   1HG   LYS  15          2HG       LYS  15   6.240   1.661   8.597
  131   2HG   LYS  15          1HG       LYS  15   4.978   2.670   9.288
  132   1HD   LYS  15          2HD       LYS  15   3.540   0.504   8.521
  133   2HD   LYS  15          1HD       LYS  15   5.084  -0.241   8.927
  134   1HE   LYS  15          2HE       LYS  15   4.168   1.742  10.875
  135   2HE   LYS  15          1HE       LYS  15   3.089   0.358  10.703
  136   1HZ   LYS  15          1HZ       LYS  15   4.705  -0.097  12.393
  137   2HZ   LYS  15          2HZ       LYS  15   5.985   0.269  11.351
  138   3HZ   LYS  15          3HZ       LYS  15   5.027  -1.094  11.064
  139    H    ALA  16           H        ALA  16   3.346   2.417   4.553
  140    HA   ALA  16           HA       ALA  16   3.758   5.081   3.807
  141   1HB   ALA  16          1HB       ALA  16   3.029   4.292   1.530
  142   2HB   ALA  16          2HB       ALA  16   2.712   2.722   2.268
  143   3HB   ALA  16          3HB       ALA  16   4.347   3.385   2.269
  144    H    THR  17           H        THR  17   0.766   3.253   4.212
  145    HA   THR  17           HA       THR  17  -0.913   5.217   3.046
  146    HB   THR  17           HB       THR  17  -2.753   4.020   4.172
  147    HG1  THR  17           1HG      THR  17  -2.233   2.232   5.476
  148   1HG2  THR  17          1HG2      THR  17  -0.764   2.667   2.513
  149   2HG2  THR  17          2HG2      THR  17  -2.514   2.786   2.331
  150   3HG2  THR  17          3HG2      THR  17  -1.820   1.592   3.428
  151    H    GLU  18           H        GLU  18   0.410   4.753   6.245
  152    HA   GLU  18           HA       GLU  18  -1.276   6.705   7.493
  153   1HB   GLU  18          2HB       GLU  18   0.833   4.859   8.315
  154   2HB   GLU  18          1HB       GLU  18   0.894   6.395   9.167
  155   1HG   GLU  18          2HG       GLU  18  -1.645   5.999   9.528
  156   2HG   GLU  18          1HG       GLU  18  -1.251   4.322   9.153
  157    H    MET  19           H        MET  19   2.097   6.644   6.417
  158    HA   MET  19           HA       MET  19   2.510   9.401   7.125
  159   1HB   MET  19          2HB       MET  19   4.737   9.091   6.326
  160   2HB   MET  19          1HB       MET  19   4.290   7.660   7.233
  161   1HG   MET  19          2HG       MET  19   4.013   6.394   5.252
  162   2HG   MET  19          1HG       MET  19   4.137   7.828   4.239
  163   1HE   MET  19          1HE       MET  19   6.450   5.059   6.219
  164   2HE   MET  19          2HE       MET  19   7.235   4.957   4.643
  165   3HE   MET  19          3HE       MET  19   5.478   4.870   4.760
  166    H    ASN  20           H        ASN  20   1.224   7.783   4.419
  167    HA   ASN  20           HA       ASN  20   0.354   8.570   2.469
  168   1HB   ASN  20          2HB       ASN  20   1.514  11.291   3.037
  169   2HB   ASN  20          1HB       ASN  20   0.133  10.886   2.026
  170   1HD2  ASN  20          1HD2      ASN  20   1.163  11.860   5.073
  171   2HD2  ASN  20          2HD2      ASN  20  -0.341  11.710   5.909
  172    H    LEU  21           H        LEU  21   2.873   7.356   2.707
  173    HA   LEU  21           HA       LEU  21   4.976   8.565   1.338
  174   1HB   LEU  21          2HB       LEU  21   4.749   6.279   2.609
  175   2HB   LEU  21          1HB       LEU  21   4.385   5.648   1.018
  176    HG   LEU  21           HG       LEU  21   6.884   7.232   1.488
  177   1HD1  LEU  21          1HD1      LEU  21   6.247   4.728   2.729
  178   2HD1  LEU  21          2HD1      LEU  21   7.713   5.699   2.852
  179   3HD1  LEU  21          3HD1      LEU  21   7.552   4.505   1.565
  180   1HD2  LEU  21          1HD2      LEU  21   7.241   5.071  -0.289
  181   2HD2  LEU  21          2HD2      LEU  21   7.168   6.789  -0.674
  182   3HD2  LEU  21          3HD2      LEU  21   5.698   5.816  -0.708
  183    H    ASN  22           H        ASN  22   5.739   8.169  -0.868
  184    HA   ASN  22           HA       ASN  22   4.110   8.975  -2.874
  185   1HB   ASN  22          2HB       ASN  22   6.658   8.508  -2.871
  186   2HB   ASN  22          1HB       ASN  22   6.211   6.913  -3.468
  187   1HD2  ASN  22          1HD2      ASN  22   6.618   6.850  -5.554
  188   2HD2  ASN  22          2HD2      ASN  22   6.193   8.062  -6.710
  189    H    ARG  23           H        ARG  23   2.605   8.177  -4.217
  190    HA   ARG  23           HA       ARG  23   1.163   5.891  -3.591
  191   1HB   ARG  23          2HB       ARG  23   0.488   7.919  -5.018
  192   2HB   ARG  23          1HB       ARG  23   1.219   7.051  -6.361
  193   1HG   ARG  23          2HG       ARG  23  -0.493   5.620  -6.535
  194   2HG   ARG  23          1HG       ARG  23  -0.662   5.455  -4.787
  195   1HD   ARG  23          2HD       ARG  23  -1.499   8.024  -5.203
  196   2HD   ARG  23          1HD       ARG  23  -2.066   7.212  -6.663
  197    HE   ARG  23           HE       ARG  23  -2.732   5.689  -4.381
  198   1HH1  ARG  23          1HH1      ARG  23  -3.656   8.616  -6.058
  199   2HH1  ARG  23          2HH1      ARG  23  -5.290   8.569  -5.487
  200   1HH2  ARG  23          1HH2      ARG  23  -4.880   5.635  -3.636
  201   2HH2  ARG  23          2HH2      ARG  23  -5.984   6.882  -4.115
  202    H    ASP  24           H        ASP  24   3.961   6.239  -5.634
  203    HA   ASP  24           HA       ASP  24   3.647   3.845  -7.094
  204   1HB   ASP  24          2HB       ASP  24   5.390   5.916  -7.241
  205   2HB   ASP  24          1HB       ASP  24   6.412   4.705  -6.473
  206    H    PHE  25           H        PHE  25   5.085   4.564  -3.971
  207    HA   PHE  25           HA       PHE  25   6.177   1.943  -3.594
  208   1HB   PHE  25          2HB       PHE  25   6.814   4.212  -2.430
  209   2HB   PHE  25          1HB       PHE  25   5.514   3.789  -1.320
  210    HD1  PHE  25           1HD      PHE  25   6.436   3.099   0.666
  211    HD2  PHE  25           2HD      PHE  25   8.149   1.740  -2.985
  212    HE1  PHE  25           1HE      PHE  25   7.982   1.662   1.930
  213    HE2  PHE  25           2HE      PHE  25   9.698   0.300  -1.727
  214    HZ   PHE  25           HZ       PHE  25   9.615   0.260   0.734
  215    H    ILE  26           H        ILE  26   3.289   3.686  -2.592
  216    HA   ILE  26           HA       ILE  26   2.147   1.705  -0.963
  217    HB   ILE  26           HB       ILE  26   0.830   3.862  -2.626
  218   1HG1  ILE  26          2HG1      ILE  26   1.559   3.759   0.307
  219   2HG1  ILE  26          1HG1      ILE  26   2.394   4.695  -0.927
  220   1HG2  ILE  26          1HG2      ILE  26  -0.322   2.085  -0.480
  221   2HG2  ILE  26          2HG2      ILE  26  -0.865   2.254  -2.149
  222   3HG2  ILE  26          3HG2      ILE  26  -1.081   3.585  -1.013
  223   1HD1  ILE  26          1HD1      ILE  26   0.275   5.948  -1.301
  224   2HD1  ILE  26          2HD1      ILE  26   0.979   6.160   0.302
  225   3HD1  ILE  26          3HD1      ILE  26  -0.409   5.094   0.082
  226    H    GLU  27           H        GLU  27   1.807   2.393  -4.430
  227    HA   GLU  27           HA       GLU  27   0.008   0.225  -4.894
  228   1HB   GLU  27          2HB       GLU  27   0.695   2.459  -6.299
  229   2HB   GLU  27          1HB       GLU  27   1.584   1.225  -7.177
  230   1HG   GLU  27          2HG       GLU  27  -0.268   0.743  -8.280
  231   2HG   GLU  27          1HG       GLU  27  -0.973   0.165  -6.772
  232    H    LEU  28           H        LEU  28   3.465   0.677  -5.016
  233    HA   LEU  28           HA       LEU  28   4.096  -1.714  -6.396
  234   1HB   LEU  28          2HB       LEU  28   5.795  -0.109  -6.385
  235   2HB   LEU  28          1HB       LEU  28   5.606   0.224  -4.678
  236    HG   LEU  28           HG       LEU  28   6.654  -2.447  -5.526
  237   1HD1  LEU  28          1HD1      LEU  28   8.947  -1.165  -5.129
  238   2HD1  LEU  28          2HD1      LEU  28   8.017   0.168  -5.813
  239   3HD1  LEU  28          3HD1      LEU  28   8.222  -1.325  -6.729
  240   1HD2  LEU  28          1HD2      LEU  28   6.366  -2.396  -3.242
  241   2HD2  LEU  28          2HD2      LEU  28   6.753  -0.679  -3.125
  242   3HD2  LEU  28          3HD2      LEU  28   8.039  -1.856  -3.391
  243    H    ILE  29           H        ILE  29   3.941  -0.885  -2.950
  244    HA   ILE  29           HA       ILE  29   4.641  -3.486  -2.046
  245    HB   ILE  29           HB       ILE  29   3.087  -1.372  -0.545
  246   1HG1  ILE  29          2HG1      ILE  29   6.005  -1.775  -0.129
  247   2HG1  ILE  29          1HG1      ILE  29   5.513  -0.924  -1.588
  248   1HG2  ILE  29          1HG2      ILE  29   2.987  -3.575   0.477
  249   2HG2  ILE  29          2HG2      ILE  29   3.974  -2.483   1.447
  250   3HG2  ILE  29          3HG2      ILE  29   4.745  -3.696   0.424
  251   1HD1  ILE  29          1HD1      ILE  29   5.771   0.078   1.039
  252   2HD1  ILE  29          2HD1      ILE  29   4.065   0.158   0.597
  253   3HD1  ILE  29          3HD1      ILE  29   5.278   0.936  -0.420
  254    H    GLU  30           H        GLU  30   1.652  -1.894  -2.910
  255    HA   GLU  30           HA       GLU  30  -0.049  -3.953  -1.852
  256   1HB   GLU  30          2HB       GLU  30  -0.621  -1.464  -2.316
  257   2HB   GLU  30          1HB       GLU  30  -0.875  -1.992  -3.973
  258   1HG   GLU  30          2HG       GLU  30  -2.331  -3.826  -2.605
  259   2HG   GLU  30          1HG       GLU  30  -2.519  -2.400  -1.587
  260    H    ASN  31           H        ASN  31   1.501  -3.233  -4.898
  261    HA   ASN  31           HA       ASN  31   0.025  -5.079  -6.478
  262   1HB   ASN  31          2HB       ASN  31   2.548  -3.513  -6.816
  263   2HB   ASN  31          1HB       ASN  31   2.224  -4.836  -7.932
  264   1HD2  ASN  31          1HD2      ASN  31   2.067  -3.338  -9.631
  265   2HD2  ASN  31          2HD2      ASN  31   0.656  -2.363  -9.843
  266    H    GLU  32           H        GLU  32   2.795  -5.350  -4.384
  267    HA   GLU  32           HA       GLU  32   3.573  -7.945  -5.383
  268   1HB   GLU  32          2HB       GLU  32   5.157  -6.264  -4.322
  269   2HB   GLU  32          1HB       GLU  32   4.409  -6.657  -2.781
  270   1HG   GLU  32          2HG       GLU  32   6.479  -7.879  -3.085
  271   2HG   GLU  32          1HG       GLU  32   5.102  -8.978  -3.021
  272    H    ILE  33           H        ILE  33   1.967  -6.619  -2.541
  273    HA   ILE  33           HA       ILE  33   1.469  -9.072  -1.237
  274    HB   ILE  33           HB       ILE  33  -0.043  -6.452  -1.080
  275   1HG1  ILE  33          2HG1      ILE  33   1.976  -7.468   0.901
  276   2HG1  ILE  33          1HG1      ILE  33   2.480  -6.562  -0.521
  277   1HG2  ILE  33          1HG2      ILE  33  -1.135  -8.643  -0.173
  278   2HG2  ILE  33          2HG2      ILE  33  -1.138  -7.190   0.820
  279   3HG2  ILE  33          3HG2      ILE  33   0.038  -8.466   1.130
  280   1HD1  ILE  33          1HD1      ILE  33   0.555  -5.581   1.573
  281   2HD1  ILE  33          2HD1      ILE  33   1.147  -4.669   0.183
  282   3HD1  ILE  33          3HD1      ILE  33   2.262  -5.150   1.462
  283    H    LYS  34           H        LYS  34  -0.174  -7.298  -3.780
  284    HA   LYS  34           HA       LYS  34  -2.601  -8.790  -3.692
  285   1HB   LYS  34          2HB       LYS  34  -1.370  -6.769  -5.465
  286   2HB   LYS  34          1HB       LYS  34  -2.508  -7.860  -6.244
  287   1HG   LYS  34          2HG       LYS  34  -4.236  -7.236  -4.665
  288   2HG   LYS  34          1HG       LYS  34  -3.099  -6.197  -3.804
  289   1HD   LYS  34          2HD       LYS  34  -2.826  -4.862  -5.878
  290   2HD   LYS  34          1HD       LYS  34  -4.068  -5.858  -6.641
  291   1HE   LYS  34          2HE       LYS  34  -5.728  -5.100  -5.114
  292   2HE   LYS  34          1HE       LYS  34  -4.522  -4.315  -4.098
  293   1HZ   LYS  34          1HZ       LYS  34  -4.081  -2.747  -5.868
  294   2HZ   LYS  34          2HZ       LYS  34  -5.727  -2.729  -5.482
  295   3HZ   LYS  34          3HZ       LYS  34  -5.196  -3.520  -6.880
  296    H    ARG  35           H        ARG  35   0.321  -8.950  -5.702
  297    HA   ARG  35           HA       ARG  35  -0.546 -11.223  -7.189
  298   1HB   ARG  35          2HB       ARG  35   1.402  -9.408  -7.570
  299   2HB   ARG  35          1HB       ARG  35   2.359 -10.703  -6.869
  300   1HG   ARG  35          2HG       ARG  35   1.876 -12.170  -8.619
  301   2HG   ARG  35          1HG       ARG  35   0.502 -11.206  -9.165
  302   1HD   ARG  35          2HD       ARG  35   1.926  -9.504 -10.013
  303   2HD   ARG  35          1HD       ARG  35   3.340 -10.207  -9.229
  304    HE   ARG  35           HE       ARG  35   3.572 -11.613 -11.010
  305   1HH1  ARG  35          1HH1      ARG  35   0.309 -10.348 -11.042
  306   2HH1  ARG  35          2HH1      ARG  35  -0.079 -11.061 -12.572
  307   1HH2  ARG  35          1HH2      ARG  35   3.053 -12.542 -13.018
  308   2HH2  ARG  35          2HH2      ARG  35   1.475 -12.304 -13.691
  309    H    ARG  36           H        ARG  36   0.939 -10.771  -4.095
  310    HA   ARG  36           HA       ARG  36   1.951 -13.462  -3.889
  311   1HB   ARG  36          2HB       ARG  36   1.877 -11.053  -2.129
  312   2HB   ARG  36          1HB       ARG  36   2.148 -12.621  -1.389
  313   1HG   ARG  36          2HG       ARG  36   3.995 -12.899  -3.162
  314   2HG   ARG  36          1HG       ARG  36   3.853 -11.151  -3.356
  315   1HD   ARG  36          2HD       ARG  36   4.987 -10.770  -1.476
  316   2HD   ARG  36          1HD       ARG  36   3.991 -11.902  -0.563
  317    HE   ARG  36           HE       ARG  36   5.733 -13.407  -2.115
  318   1HH1  ARG  36          1HH1      ARG  36   5.938 -11.110   0.515
  319   2HH1  ARG  36          2HH1      ARG  36   7.394 -11.794   1.157
  320   1HH2  ARG  36          1HH2      ARG  36   7.644 -14.299  -1.264
  321   2HH2  ARG  36          2HH2      ARG  36   8.361 -13.601   0.150
  322    H    SER  37           H        SER  37  -1.138 -12.443  -3.943
  323    HA   SER  37           HA       SER  37  -3.111 -13.277  -3.184
  324   1HB   SER  37          2HB       SER  37  -1.934 -15.445  -3.804
  325   2HB   SER  37          1HB       SER  37  -1.531 -15.613  -2.096
  326    HG   SER  37           HG       SER  37  -3.453 -16.713  -2.571
  327    H    LEU  38           H        LEU  38  -1.586 -11.517  -1.535
  328    HA   LEU  38           HA       LEU  38  -2.513 -12.342   1.148
  329   1HB   LEU  38          2HB       LEU  38   0.042 -12.106   0.572
  330   2HB   LEU  38          1HB       LEU  38  -0.285 -10.395   0.756
  331    HG   LEU  38           HG       LEU  38  -1.199 -10.931   3.054
  332   1HD1  LEU  38          1HD1      LEU  38  -0.146 -13.104   3.956
  333   2HD1  LEU  38          2HD1      LEU  38  -0.116 -13.605   2.265
  334   3HD1  LEU  38          3HD1      LEU  38  -1.649 -13.206   3.040
  335   1HD2  LEU  38          1HD2      LEU  38   1.699 -11.516   2.460
  336   2HD2  LEU  38          2HD2      LEU  38   1.046 -11.119   4.050
  337   3HD2  LEU  38          3HD2      LEU  38   0.989  -9.929   2.750
  338    H    GLY  39           H        GLY  39  -3.880 -10.820  -1.031
  339   1HA   GLY  39          2HA       GLY  39  -3.931  -8.058  -0.322
  340   2HA   GLY  39          1HA       GLY  39  -5.100  -8.898  -1.335
  341    H    HIS  40           H        HIS  40  -5.171 -10.735   1.323
  342    HA   HIS  40           HA       HIS  40  -7.513  -9.377   2.339
  343   1HB   HIS  40          2HB       HIS  40  -7.735 -11.380   3.797
  344   2HB   HIS  40          1HB       HIS  40  -7.614 -11.798   2.090
  345    HD1  HIS  40           1HD      HIS  40  -5.455 -13.006   1.316
  346    HD2  HIS  40           2HD      HIS  40  -5.617 -12.247   5.397
  347    HE1  HIS  40           1HE      HIS  40  -3.620 -14.394   2.330
  348    HE2  HIS  40           2HE      HIS  40  -3.785 -13.976   4.809
  349    H    ILE  41           H        ILE  41  -4.198  -9.978   3.238
  350    HA   ILE  41           HA       ILE  41  -4.313  -9.293   5.954
  351    HB   ILE  41           HB       ILE  41  -2.390 -10.344   4.552
  352   1HG1  ILE  41          2HG1      ILE  41  -0.734  -9.643   6.228
  353   2HG1  ILE  41          1HG1      ILE  41  -1.806  -8.339   6.732
  354   1HG2  ILE  41          1HG2      ILE  41  -1.156  -7.649   4.499
  355   2HG2  ILE  41          2HG2      ILE  41  -2.276  -8.070   3.204
  356   3HG2  ILE  41          3HG2      ILE  41  -0.848  -9.057   3.484
  357   1HD1  ILE  41          1HD1      ILE  41  -2.751 -11.169   6.758
  358   2HD1  ILE  41          2HD1      ILE  41  -3.307  -9.794   7.712
  359   3HD1  ILE  41          3HD1      ILE  41  -1.751 -10.545   8.070
  360    H    ILE  42           H        ILE  42  -4.140  -7.403   3.038
  361    HA   ILE  42           HA       ILE  42  -3.662  -4.896   4.372
  362    HB   ILE  42           HB       ILE  42  -4.150  -3.923   2.079
  363   1HG1  ILE  42          2HG1      ILE  42  -4.093  -6.830   1.253
  364   2HG1  ILE  42          1HG1      ILE  42  -5.507  -5.782   1.215
  365   1HG2  ILE  42          1HG2      ILE  42  -1.898  -4.266   2.850
  366   2HG2  ILE  42          2HG2      ILE  42  -2.018  -4.654   1.135
  367   3HG2  ILE  42          3HG2      ILE  42  -1.950  -5.949   2.329
  368   1HD1  ILE  42          1HD1      ILE  42  -3.112  -5.814  -0.542
  369   2HD1  ILE  42          2HD1      ILE  42  -3.980  -4.298  -0.295
  370   3HD1  ILE  42          3HD1      ILE  42  -4.821  -5.697  -0.960
  371    H    SER  43           H        SER  43  -5.148  -3.049   4.110
  372    HA   SER  43           HA       SER  43  -7.824  -3.831   4.848
  373   1HB   SER  43          2HB       SER  43  -6.717  -1.966   6.012
  374   2HB   SER  43          1HB       SER  43  -6.612  -1.075   4.495
  375    HG   SER  43           HG       SER  43  -8.426  -0.316   5.415
  376    H    VAL  44           H        VAL  44  -7.802  -4.849   2.535
  377    HA   VAL  44           HA       VAL  44  -9.042  -2.922   0.686
  378    HB   VAL  44           HB       VAL  44  -7.489  -5.397  -0.080
  379   1HG1  VAL  44          1HG1      VAL  44  -8.891  -3.260  -1.625
  380   2HG1  VAL  44          2HG1      VAL  44  -8.927  -5.010  -1.843
  381   3HG1  VAL  44          3HG1      VAL  44  -7.498  -4.091  -2.317
  382   1HG2  VAL  44          1HG2      VAL  44  -6.672  -2.507  -0.002
  383   2HG2  VAL  44          2HG2      VAL  44  -5.804  -3.738  -0.917
  384   3HG2  VAL  44          3HG2      VAL  44  -5.928  -3.866   0.837
  385    H    SER  45           H        SER  45 -10.645  -3.861  -0.783
  386    HA   SER  45           HA       SER  45 -12.154  -5.992   0.562
  387   1HB   SER  45          2HB       SER  45 -14.124  -5.132  -0.515
  388   2HB   SER  45          1HB       SER  45 -13.261  -3.760   0.179
  389    HG   SER  45           HG       SER  45 -13.402  -2.990  -1.771
  390    H    SER  46           H        SER  46 -11.045  -7.755  -0.288
  391    HA   SER  46           HA       SER  46 -10.547  -8.107  -3.061
  392   1HB   SER  46          2HB       SER  46 -10.541  -9.964  -0.690
  393   2HB   SER  46          1HB       SER  46 -10.285 -10.572  -2.325
  394    HG   SER  46           HG       SER  46  -8.409  -9.791  -0.896
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  13.315  -4.748  -1.679
    2   2H    MET   1          2HT       MET   1  12.245  -5.948  -1.081
    3   3H    MET   1          3HT       MET   1  11.946  -4.292  -0.752
    4    HA   MET   1           HA       MET   1  10.489  -4.689  -2.402
    5   1HB   MET   1          2HB       MET   1  12.995  -3.968  -3.931
    6   2HB   MET   1          1HB       MET   1  11.341  -3.524  -4.328
    7   1HG   MET   1          2HG       MET   1  12.530  -2.654  -1.734
    8   2HG   MET   1          1HG       MET   1  12.931  -1.797  -3.221
    9   1HE   MET   1          1HE       MET   1   9.168  -3.186  -1.864
   10   2HE   MET   1          2HE       MET   1   9.144  -1.784  -0.794
   11   3HE   MET   1          3HE       MET   1  10.486  -2.925  -0.723
   12    H    ARG   2           H        ARG   2  13.408  -6.568  -2.764
   13    HA   ARG   2           HA       ARG   2  12.434  -8.032  -5.056
   14   1HB   ARG   2          2HB       ARG   2  14.798  -8.716  -3.311
   15   2HB   ARG   2          1HB       ARG   2  14.497  -9.241  -4.963
   16   1HG   ARG   2          2HG       ARG   2  14.593  -6.742  -5.554
   17   2HG   ARG   2          1HG       ARG   2  15.347  -6.548  -3.970
   18   1HD   ARG   2          2HD       ARG   2  17.017  -8.283  -4.647
   19   2HD   ARG   2          1HD       ARG   2  16.322  -8.238  -6.267
   20    HE   ARG   2           HE       ARG   2  17.104  -5.651  -5.324
   21   1HH1  ARG   2          1HH1      ARG   2  18.279  -8.581  -6.834
   22   2HH1  ARG   2          2HH1      ARG   2  19.619  -7.793  -7.596
   23   1HH2  ARG   2          1HH2      ARG   2  18.867  -4.625  -6.330
   24   2HH2  ARG   2          2HH2      ARG   2  19.953  -5.552  -7.310
   25    H    LYS   3           H        LYS   3  13.135  -8.817  -1.647
   26    HA   LYS   3           HA       LYS   3  10.958 -10.734  -1.648
   27   1HB   LYS   3          2HB       LYS   3  13.840 -11.510  -1.468
   28   2HB   LYS   3          1HB       LYS   3  12.656 -12.407  -0.526
   29   1HG   LYS   3          2HG       LYS   3  11.419 -12.916  -2.580
   30   2HG   LYS   3          1HG       LYS   3  12.633 -12.040  -3.516
   31   1HD   LYS   3          2HD       LYS   3  14.277 -13.635  -3.109
   32   2HD   LYS   3          1HD       LYS   3  13.436 -14.283  -1.700
   33   1HE   LYS   3          2HE       LYS   3  12.101 -15.622  -2.944
   34   2HE   LYS   3          1HE       LYS   3  12.000 -14.467  -4.273
   35   1HZ   LYS   3          1HZ       LYS   3  13.278 -16.059  -5.235
   36   2HZ   LYS   3          2HZ       LYS   3  13.974 -16.567  -3.779
   37   3HZ   LYS   3          3HZ       LYS   3  14.515 -15.149  -4.525
   38    H    LEU   4           H        LEU   4   9.888  -9.778  -0.013
   39    HA   LEU   4           HA       LEU   4  11.279  -9.593   2.577
   40   1HB   LEU   4          2HB       LEU   4   9.045  -7.717   1.981
   41   2HB   LEU   4          1HB       LEU   4  10.399  -7.525   3.074
   42    HG   LEU   4           HG       LEU   4  10.712  -5.945   1.343
   43   1HD1  LEU   4          1HD1      LEU   4  12.566  -7.749   0.068
   44   2HD1  LEU   4          2HD1      LEU   4  12.569  -7.969   1.818
   45   3HD1  LEU   4          3HD1      LEU   4  12.876  -6.376   1.129
   46   1HD2  LEU   4          1HD2      LEU   4  10.758  -7.874  -0.889
   47   2HD2  LEU   4          2HD2      LEU   4  10.196  -6.203  -0.837
   48   3HD2  LEU   4          3HD2      LEU   4   9.176  -7.497  -0.209
   49    H    SER   5           H        SER   5  10.142 -10.278   4.349
   50    HA   SER   5           HA       SER   5   8.051 -12.133   3.966
   51   1HB   SER   5          2HB       SER   5   8.609 -10.809   6.608
   52   2HB   SER   5          1HB       SER   5   8.105 -12.469   6.289
   53    HG   SER   5           HG       SER   5  10.243 -12.601   6.720
   54    H    ASP   6           H        ASP   6   5.881 -12.018   4.957
   55    HA   ASP   6           HA       ASP   6   4.413  -9.842   4.008
   56   1HB   ASP   6          2HB       ASP   6   3.390 -11.420   6.358
   57   2HB   ASP   6          1HB       ASP   6   2.508 -10.782   4.983
   58    H    GLU   7           H        GLU   7   6.074 -10.320   7.023
   59    HA   GLU   7           HA       GLU   7   4.788  -8.240   8.463
   60   1HB   GLU   7          2HB       GLU   7   7.071 -10.028   8.858
   61   2HB   GLU   7          1HB       GLU   7   7.308  -8.441   9.575
   62   1HG   GLU   7          2HG       GLU   7   6.345 -10.075  11.139
   63   2HG   GLU   7          1HG       GLU   7   5.306  -8.674  10.882
   64    H    LEU   8           H        LEU   8   7.620  -8.388   6.401
   65    HA   LEU   8           HA       LEU   8   8.337  -5.639   6.870
   66   1HB   LEU   8          2HB       LEU   8   9.375  -7.850   5.177
   67   2HB   LEU   8          1HB       LEU   8   9.807  -6.203   4.758
   68    HG   LEU   8           HG       LEU   8  11.459  -7.424   6.197
   69   1HD1  LEU   8          1HD1      LEU   8  10.395  -4.986   7.571
   70   2HD1  LEU   8          2HD1      LEU   8  11.181  -4.906   5.994
   71   3HD1  LEU   8          3HD1      LEU   8  12.069  -5.512   7.392
   72   1HD2  LEU   8          1HD2      LEU   8   9.480  -6.955   8.409
   73   2HD2  LEU   8          2HD2      LEU   8  11.036  -7.781   8.501
   74   3HD2  LEU   8          3HD2      LEU   8   9.698  -8.517   7.620
   75    H    LEU   9           H        LEU   9   6.656  -7.476   4.386
   76    HA   LEU   9           HA       LEU   9   6.456  -5.276   2.571
   77   1HB   LEU   9          2HB       LEU   9   6.391  -7.733   1.962
   78   2HB   LEU   9          1HB       LEU   9   4.755  -7.760   2.591
   79    HG   LEU   9           HG       LEU   9   4.145  -6.004   0.918
   80   1HD1  LEU   9          1HD1      LEU   9   6.986  -6.479   0.080
   81   2HD1  LEU   9          2HD1      LEU   9   6.164  -4.950   0.390
   82   3HD1  LEU   9          3HD1      LEU   9   5.769  -5.887  -1.051
   83   1HD2  LEU   9          1HD2      LEU   9   3.678  -8.371   0.525
   84   2HD2  LEU   9          2HD2      LEU   9   5.272  -8.568  -0.203
   85   3HD2  LEU   9          3HD2      LEU   9   4.069  -7.535  -0.977
   86    H    ILE  10           H        ILE  10   4.374  -6.662   5.047
   87    HA   ILE  10           HA       ILE  10   2.135  -5.041   4.343
   88    HB   ILE  10           HB       ILE  10   2.700  -6.661   6.820
   89   1HG1  ILE  10          2HG1      ILE  10   0.686  -7.178   4.643
   90   2HG1  ILE  10          1HG1      ILE  10   2.347  -7.751   4.529
   91   1HG2  ILE  10          1HG2      ILE  10   0.541  -4.759   6.243
   92   2HG2  ILE  10          2HG2      ILE  10   1.101  -5.406   7.785
   93   3HG2  ILE  10          3HG2      ILE  10  -0.004  -6.347   6.784
   94   1HD1  ILE  10          1HD1      ILE  10   2.083  -9.130   6.427
   95   2HD1  ILE  10          2HD1      ILE  10   0.693  -9.408   5.380
   96   3HD1  ILE  10          3HD1      ILE  10   0.530  -8.399   6.818
   97    H    GLU  11           H        GLU  11   4.727  -4.813   6.724
   98    HA   GLU  11           HA       GLU  11   3.733  -2.560   8.089
   99   1HB   GLU  11          2HB       GLU  11   6.303  -3.973   7.902
  100   2HB   GLU  11          1HB       GLU  11   6.456  -2.267   8.270
  101   1HG   GLU  11          2HG       GLU  11   6.371  -3.319  10.346
  102   2HG   GLU  11          1HG       GLU  11   4.752  -2.665  10.108
  103    H    SER  12           H        SER  12   5.346  -2.936   5.025
  104    HA   SER  12           HA       SER  12   6.090  -0.175   4.763
  105   1HB   SER  12          2HB       SER  12   6.004  -1.135   2.193
  106   2HB   SER  12          1HB       SER  12   7.392  -1.279   3.269
  107    HG   SER  12           HG       SER  12   7.110  -3.347   3.212
  108    H    TYR  13           H        TYR  13   3.452  -2.213   3.576
  109    HA   TYR  13           HA       TYR  13   2.126  -0.178   2.116
  110   1HB   TYR  13          2HB       TYR  13   1.742  -2.629   1.813
  111   2HB   TYR  13          1HB       TYR  13   0.928  -2.658   3.372
  112    HD1  TYR  13           1HD      TYR  13  -1.369  -2.404   3.431
  113    HD2  TYR  13           2HD      TYR  13   0.777  -0.885   0.087
  114    HE1  TYR  13           1HE      TYR  13  -3.494  -1.812   2.344
  115    HE2  TYR  13           2HE      TYR  13  -1.342  -0.287  -1.009
  116    HH   TYR  13           HH       TYR  13  -4.179  -0.003   0.503
  117    H    PHE  14           H        PHE  14   1.983  -1.328   5.420
  118    HA   PHE  14           HA       PHE  14  -0.276   0.264   6.157
  119   1HB   PHE  14          2HB       PHE  14   1.762  -1.290   7.730
  120   2HB   PHE  14          1HB       PHE  14   0.472  -0.391   8.506
  121    HD1  PHE  14           1HD      PHE  14   0.088  -2.749   9.482
  122    HD2  PHE  14           2HD      PHE  14  -0.614  -1.765   5.397
  123    HE1  PHE  14           1HE      PHE  14  -1.379  -4.711   9.260
  124    HE2  PHE  14           2HE      PHE  14  -2.083  -3.724   5.173
  125    HZ   PHE  14           HZ       PHE  14  -2.466  -5.207   7.104
  126    H    LYS  15           H        LYS  15   3.227   0.561   6.484
  127    HA   LYS  15           HA       LYS  15   3.203   2.930   8.033
  128   1HB   LYS  15          2HB       LYS  15   5.264   1.544   6.355
  129   2HB   LYS  15          1HB       LYS  15   5.589   3.143   6.996
  130   1HG   LYS  15          2HG       LYS  15   4.806   0.780   8.687
  131   2HG   LYS  15          1HG       LYS  15   6.469   1.290   8.391
  132   1HD   LYS  15          2HD       LYS  15   6.203   2.523  10.248
  133   2HD   LYS  15          1HD       LYS  15   5.313   3.624   9.197
  134   1HE   LYS  15          2HE       LYS  15   3.377   1.833   9.853
  135   2HE   LYS  15          1HE       LYS  15   4.350   1.840  11.324
  136   1HZ   LYS  15          1HZ       LYS  15   3.999   4.124  11.617
  137   2HZ   LYS  15          2HZ       LYS  15   2.482   3.513  11.188
  138   3HZ   LYS  15          3HZ       LYS  15   3.414   4.339  10.045
  139    H    ALA  16           H        ALA  16   3.586   2.343   4.557
  140    HA   ALA  16           HA       ALA  16   3.861   5.050   3.825
  141   1HB   ALA  16          1HB       ALA  16   3.109   2.580   2.298
  142   2HB   ALA  16          2HB       ALA  16   4.620   3.489   2.257
  143   3HB   ALA  16          3HB       ALA  16   3.163   4.166   1.530
  144    H    THR  17           H        THR  17   1.026   2.988   4.220
  145    HA   THR  17           HA       THR  17  -0.808   4.778   3.005
  146    HB   THR  17           HB       THR  17  -2.504   3.470   4.426
  147    HG1  THR  17           1HG      THR  17  -1.742   2.120   5.819
  148   1HG2  THR  17          1HG2      THR  17  -1.843   1.247   3.171
  149   2HG2  THR  17          2HG2      THR  17  -0.769   2.348   2.307
  150   3HG2  THR  17          3HG2      THR  17  -2.509   2.641   2.319
  151    H    GLU  18           H        GLU  18   0.528   4.490   6.221
  152    HA   GLU  18           HA       GLU  18  -1.319   6.278   7.462
  153   1HB   GLU  18          2HB       GLU  18   1.031   4.728   8.247
  154   2HB   GLU  18          1HB       GLU  18   0.922   6.277   9.069
  155   1HG   GLU  18          2HG       GLU  18  -1.602   4.819   8.993
  156   2HG   GLU  18          1HG       GLU  18  -0.313   3.965   9.838
  157    H    MET  19           H        MET  19   1.999   6.598   6.282
  158    HA   MET  19           HA       MET  19   2.092   9.405   6.913
  159   1HB   MET  19          2HB       MET  19   4.330   9.330   6.048
  160   2HB   MET  19          1HB       MET  19   4.073   7.929   7.071
  161   1HG   MET  19          2HG       MET  19   3.868   6.501   5.176
  162   2HG   MET  19          1HG       MET  19   3.864   7.874   4.074
  163   1HE   MET  19          1HE       MET  19   5.798   5.097   4.280
  164   2HE   MET  19          2HE       MET  19   5.897   5.313   6.026
  165   3HE   MET  19          3HE       MET  19   7.358   5.405   5.042
  166    H    ASN  20           H        ASN  20   0.958   7.572   4.281
  167    HA   ASN  20           HA       ASN  20   0.011   8.198   2.306
  168   1HB   ASN  20          2HB       ASN  20   0.864  11.043   2.799
  169   2HB   ASN  20          1HB       ASN  20  -0.458  10.464   1.793
  170   1HD2  ASN  20          1HD2      ASN  20   0.465  11.568   4.846
  171   2HD2  ASN  20          2HD2      ASN  20  -1.030  11.297   5.668
  172    H    LEU  21           H        LEU  21   2.626   7.253   2.552
  173    HA   LEU  21           HA       LEU  21   4.633   8.609   1.212
  174   1HB   LEU  21          2HB       LEU  21   4.550   6.276   2.416
  175   2HB   LEU  21          1HB       LEU  21   4.243   5.670   0.801
  176    HG   LEU  21           HG       LEU  21   6.615   7.424   1.296
  177   1HD1  LEU  21          1HD1      LEU  21   7.678   4.935   1.453
  178   2HD1  LEU  21          2HD1      LEU  21   6.182   4.730   2.364
  179   3HD1  LEU  21          3HD1      LEU  21   7.340   5.973   2.838
  180   1HD2  LEU  21          1HD2      LEU  21   5.551   5.962  -0.902
  181   2HD2  LEU  21          2HD2      LEU  21   7.087   5.225  -0.447
  182   3HD2  LEU  21          3HD2      LEU  21   7.014   6.943  -0.837
  183    H    ASN  22           H        ASN  22   5.468   8.282  -0.985
  184    HA   ASN  22           HA       ASN  22   3.884   9.075  -3.015
  185   1HB   ASN  22          2HB       ASN  22   6.424   8.681  -2.984
  186   2HB   ASN  22          1HB       ASN  22   6.049   7.054  -3.548
  187   1HD2  ASN  22          1HD2      ASN  22   7.563   8.968  -4.962
  188   2HD2  ASN  22          2HD2      ASN  22   6.711   9.354  -6.413
  189    H    ARG  23           H        ARG  23   2.486   8.272  -4.480
  190    HA   ARG  23           HA       ARG  23   1.001   5.992  -3.927
  191   1HB   ARG  23          2HB       ARG  23   0.299   7.950  -5.338
  192   2HB   ARG  23          1HB       ARG  23   1.268   7.279  -6.642
  193   1HG   ARG  23          2HG       ARG  23  -0.882   6.552  -7.119
  194   2HG   ARG  23          1HG       ARG  23  -0.142   5.158  -6.330
  195   1HD   ARG  23          2HD       ARG  23  -1.512   5.280  -4.550
  196   2HD   ARG  23          1HD       ARG  23  -1.468   7.042  -4.510
  197    HE   ARG  23           HE       ARG  23  -2.975   6.099  -6.726
  198   1HH1  ARG  23          1HH1      ARG  23  -3.155   6.584  -3.266
  199   2HH1  ARG  23          2HH1      ARG  23  -4.877   6.751  -3.258
  200   1HH2  ARG  23          1HH2      ARG  23  -5.237   6.320  -6.707
  201   2HH2  ARG  23          2HH2      ARG  23  -6.058   6.601  -5.207
  202    H    ASP  24           H        ASP  24   3.852   6.362  -5.928
  203    HA   ASP  24           HA       ASP  24   3.613   3.913  -7.307
  204   1HB   ASP  24          2HB       ASP  24   5.267   6.030  -7.559
  205   2HB   ASP  24          1HB       ASP  24   6.343   4.916  -6.722
  206    H    PHE  25           H        PHE  25   4.999   4.762  -4.198
  207    HA   PHE  25           HA       PHE  25   6.230   2.217  -3.764
  208   1HB   PHE  25          2HB       PHE  25   6.717   4.536  -2.626
  209   2HB   PHE  25          1HB       PHE  25   5.432   4.049  -1.525
  210    HD1  PHE  25           1HD      PHE  25   6.185   3.176   0.449
  211    HD2  PHE  25           2HD      PHE  25   8.389   2.404  -3.108
  212    HE1  PHE  25           1HE      PHE  25   7.802   1.849   1.744
  213    HE2  PHE  25           2HE      PHE  25  10.009   1.074  -1.821
  214    HZ   PHE  25           HZ       PHE  25   9.717   0.795   0.609
  215    H    ILE  26           H        ILE  26   3.256   3.812  -2.731
  216    HA   ILE  26           HA       ILE  26   2.239   1.734  -1.139
  217    HB   ILE  26           HB       ILE  26   0.809   3.897  -2.693
  218   1HG1  ILE  26          2HG1      ILE  26   1.634   3.654   0.207
  219   2HG1  ILE  26          1HG1      ILE  26   2.299   4.763  -0.986
  220   1HG2  ILE  26          1HG2      ILE  26  -1.130   3.457  -1.227
  221   2HG2  ILE  26          2HG2      ILE  26  -0.291   2.055  -0.563
  222   3HG2  ILE  26          3HG2      ILE  26  -0.753   2.082  -2.265
  223   1HD1  ILE  26          1HD1      ILE  26  -0.565   4.812  -0.074
  224   2HD1  ILE  26          2HD1      ILE  26   0.272   6.012  -1.056
  225   3HD1  ILE  26          3HD1      ILE  26   0.718   5.792   0.636
  226    H    GLU  27           H        GLU  27   1.794   2.495  -4.586
  227    HA   GLU  27           HA       GLU  27   0.074   0.293  -5.089
  228   1HB   GLU  27          2HB       GLU  27   0.689   2.500  -6.497
  229   2HB   GLU  27          1HB       GLU  27   1.755   1.353  -7.294
  230   1HG   GLU  27          2HG       GLU  27  -0.586  -0.033  -7.216
  231   2HG   GLU  27          1HG       GLU  27  -1.151   1.625  -7.415
  232    H    LEU  28           H        LEU  28   3.527   0.764  -5.095
  233    HA   LEU  28           HA       LEU  28   4.221  -1.641  -6.424
  234   1HB   LEU  28          2HB       LEU  28   5.915  -0.047  -6.415
  235   2HB   LEU  28          1HB       LEU  28   5.642   0.387  -4.743
  236    HG   LEU  28           HG       LEU  28   6.784  -2.306  -5.383
  237   1HD1  LEU  28          1HD1      LEU  28   8.109  -0.707  -6.686
  238   2HD1  LEU  28          2HD1      LEU  28   9.030  -1.373  -5.337
  239   3HD1  LEU  28          3HD1      LEU  28   8.366   0.257  -5.232
  240   1HD2  LEU  28          1HD2      LEU  28   8.041  -1.598  -3.218
  241   2HD2  LEU  28          2HD2      LEU  28   6.359  -2.119  -3.117
  242   3HD2  LEU  28          3HD2      LEU  28   6.754  -0.400  -3.081
  243    H    ILE  29           H        ILE  29   3.939  -0.746  -3.001
  244    HA   ILE  29           HA       ILE  29   4.642  -3.326  -2.028
  245    HB   ILE  29           HB       ILE  29   3.022  -1.212  -0.601
  246   1HG1  ILE  29          2HG1      ILE  29   5.932  -1.528  -0.093
  247   2HG1  ILE  29          1HG1      ILE  29   5.474  -0.742  -1.600
  248   1HG2  ILE  29          1HG2      ILE  29   3.872  -2.275   1.426
  249   2HG2  ILE  29          2HG2      ILE  29   4.723  -3.470   0.448
  250   3HG2  ILE  29          3HG2      ILE  29   2.961  -3.417   0.441
  251   1HD1  ILE  29          1HD1      ILE  29   3.941   0.362   0.537
  252   2HD1  ILE  29          2HD1      ILE  29   5.103   1.153  -0.528
  253   3HD1  ILE  29          3HD1      ILE  29   5.651   0.387   0.962
  254    H    GLU  30           H        GLU  30   1.674  -1.766  -3.015
  255    HA   GLU  30           HA       GLU  30  -0.056  -3.806  -1.968
  256   1HB   GLU  30          2HB       GLU  30  -0.585  -1.309  -2.543
  257   2HB   GLU  30          1HB       GLU  30  -0.849  -1.928  -4.166
  258   1HG   GLU  30          2HG       GLU  30  -2.436  -3.603  -3.074
  259   2HG   GLU  30          1HG       GLU  30  -2.351  -2.561  -1.654
  260    H    ASN  31           H        ASN  31   1.575  -3.140  -4.989
  261    HA   ASN  31           HA       ASN  31   0.138  -5.004  -6.577
  262   1HB   ASN  31          2HB       ASN  31   2.685  -3.466  -6.862
  263   2HB   ASN  31          1HB       ASN  31   2.386  -4.802  -7.966
  264   1HD2  ASN  31          1HD2      ASN  31   2.474  -2.988  -9.519
  265   2HD2  ASN  31          2HD2      ASN  31   1.006  -2.141  -9.857
  266    H    GLU  32           H        GLU  32   2.917  -5.243  -4.477
  267    HA   GLU  32           HA       GLU  32   3.636  -7.888  -5.373
  268   1HB   GLU  32          2HB       GLU  32   5.197  -6.127  -4.313
  269   2HB   GLU  32          1HB       GLU  32   4.497  -6.619  -2.777
  270   1HG   GLU  32          2HG       GLU  32   5.733  -8.461  -2.685
  271   2HG   GLU  32          1HG       GLU  32   5.372  -8.887  -4.357
  272    H    ILE  33           H        ILE  33   2.050  -6.436  -2.578
  273    HA   ILE  33           HA       ILE  33   1.508  -8.813  -1.169
  274    HB   ILE  33           HB       ILE  33   0.105  -6.127  -1.173
  275   1HG1  ILE  33          2HG1      ILE  33   1.936  -7.300   0.914
  276   2HG1  ILE  33          1HG1      ILE  33   2.526  -6.319  -0.423
  277   1HG2  ILE  33          1HG2      ILE  33  -0.184  -8.193   0.986
  278   2HG2  ILE  33          2HG2      ILE  33  -1.336  -8.049  -0.338
  279   3HG2  ILE  33          3HG2      ILE  33  -1.091  -6.702   0.766
  280   1HD1  ILE  33          1HD1      ILE  33   2.254  -5.014   1.615
  281   2HD1  ILE  33          2HD1      ILE  33   0.541  -5.433   1.657
  282   3HD1  ILE  33          3HD1      ILE  33   1.177  -4.448   0.338
  283    H    LYS  34           H        LYS  34  -0.089  -7.182  -3.836
  284    HA   LYS  34           HA       LYS  34  -2.519  -8.667  -3.701
  285   1HB   LYS  34          2HB       LYS  34  -1.268  -6.718  -5.530
  286   2HB   LYS  34          1HB       LYS  34  -2.363  -7.854  -6.304
  287   1HG   LYS  34          2HG       LYS  34  -4.157  -7.190  -4.829
  288   2HG   LYS  34          1HG       LYS  34  -3.065  -6.120  -3.945
  289   1HD   LYS  34          2HD       LYS  34  -2.669  -4.976  -6.204
  290   2HD   LYS  34          1HD       LYS  34  -4.105  -5.845  -6.750
  291   1HE   LYS  34          2HE       LYS  34  -5.031  -4.809  -4.445
  292   2HE   LYS  34          1HE       LYS  34  -3.850  -3.576  -4.878
  293   1HZ   LYS  34          1HZ       LYS  34  -6.098  -4.522  -6.570
  294   2HZ   LYS  34          2HZ       LYS  34  -4.929  -3.404  -7.059
  295   3HZ   LYS  34          3HZ       LYS  34  -5.986  -3.022  -5.795
  296    H    ARG  35           H        ARG  35   0.390  -8.905  -5.737
  297    HA   ARG  35           HA       ARG  35  -0.480 -11.259  -7.086
  298   1HB   ARG  35          2HB       ARG  35   1.415  -9.459  -7.636
  299   2HB   ARG  35          1HB       ARG  35   2.425 -10.659  -6.841
  300   1HG   ARG  35          2HG       ARG  35   2.575 -11.658  -8.818
  301   2HG   ARG  35          1HG       ARG  35   0.901 -12.161  -8.581
  302   1HD   ARG  35          2HD       ARG  35   0.069 -10.508  -9.959
  303   2HD   ARG  35          1HD       ARG  35   1.471  -9.465  -9.726
  304    HE   ARG  35           HE       ARG  35   2.492 -10.501 -11.490
  305   1HH1  ARG  35          1HH1      ARG  35  -0.198 -12.484 -10.452
  306   2HH1  ARG  35          2HH1      ARG  35  -0.062 -13.576 -11.788
  307   1HH2  ARG  35          1HH2      ARG  35   2.660 -11.939 -13.242
  308   2HH2  ARG  35          2HH2      ARG  35   1.556 -13.267 -13.370
  309    H    ARG  36           H        ARG  36   1.077 -10.642  -4.057
  310    HA   ARG  36           HA       ARG  36   2.115 -13.312  -3.745
  311   1HB   ARG  36          2HB       ARG  36   2.063 -10.820  -2.107
  312   2HB   ARG  36          1HB       ARG  36   2.360 -12.346  -1.293
  313   1HG   ARG  36          2HG       ARG  36   4.248 -12.760  -2.830
  314   2HG   ARG  36          1HG       ARG  36   3.973 -11.173  -3.548
  315   1HD   ARG  36          2HD       ARG  36   4.952 -10.099  -1.839
  316   2HD   ARG  36          1HD       ARG  36   4.194 -11.135  -0.630
  317    HE   ARG  36           HE       ARG  36   6.807 -11.443  -1.793
  318   1HH1  ARG  36          1HH1      ARG  36   4.183 -13.094  -0.173
  319   2HH1  ARG  36          2HH1      ARG  36   5.195 -14.365   0.428
  320   1HH2  ARG  36          1HH2      ARG  36   8.128 -13.116  -1.001
  321   2HH2  ARG  36          2HH2      ARG  36   7.430 -14.378  -0.043
  322    H    SER  37           H        SER  37  -0.988 -12.336  -3.773
  323    HA   SER  37           HA       SER  37  -2.926 -13.162  -2.916
  324   1HB   SER  37          2HB       SER  37  -1.579 -15.348  -3.356
  325   2HB   SER  37          1HB       SER  37  -1.401 -15.396  -1.601
  326    HG   SER  37           HG       SER  37  -3.334 -16.438  -2.749
  327    H    LEU  38           H        LEU  38  -1.319 -11.295  -1.424
  328    HA   LEU  38           HA       LEU  38  -2.147 -11.933   1.335
  329   1HB   LEU  38          2HB       LEU  38   0.324 -11.755   0.856
  330   2HB   LEU  38          1HB       LEU  38   0.059 -10.067   0.480
  331    HG   LEU  38           HG       LEU  38  -1.019 -10.104   2.926
  332   1HD1  LEU  38          1HD1      LEU  38   0.767 -12.481   2.770
  333   2HD1  LEU  38          2HD1      LEU  38  -0.750 -12.265   3.643
  334   3HD1  LEU  38          3HD1      LEU  38   0.731 -11.527   4.254
  335   1HD2  LEU  38          1HD2      LEU  38   1.680  -9.581   1.866
  336   2HD2  LEU  38          2HD2      LEU  38   1.564  -9.736   3.617
  337   3HD2  LEU  38          3HD2      LEU  38   0.595  -8.532   2.776
  338    H    GLY  39           H        GLY  39  -3.568 -10.538  -0.998
  339   1HA   GLY  39          2HA       GLY  39  -3.757  -7.775  -0.281
  340   2HA   GLY  39          1HA       GLY  39  -4.817  -8.644  -1.380
  341    H    HIS  40           H        HIS  40  -4.926 -10.486   1.313
  342    HA   HIS  40           HA       HIS  40  -7.410  -9.257   2.158
  343   1HB   HIS  40          2HB       HIS  40  -7.346 -11.680   1.766
  344   2HB   HIS  40          1HB       HIS  40  -6.122 -11.838   3.016
  345    HD1  HIS  40           1HD      HIS  40  -9.568 -10.214   2.922
  346    HD2  HIS  40           2HD      HIS  40  -7.282 -12.780   5.258
  347    HE1  HIS  40           1HE      HIS  40 -11.017 -10.800   4.890
  348    HE2  HIS  40           2HE      HIS  40  -9.583 -12.287   6.333
  349    H    ILE  41           H        ILE  41  -4.166  -9.799   3.318
  350    HA   ILE  41           HA       ILE  41  -4.573  -9.244   6.046
  351    HB   ILE  41           HB       ILE  41  -2.471 -10.167   4.776
  352   1HG1  ILE  41          2HG1      ILE  41  -1.032  -9.601   6.654
  353   2HG1  ILE  41          1HG1      ILE  41  -2.118  -8.295   7.118
  354   1HG2  ILE  41          1HG2      ILE  41  -1.601  -7.298   4.954
  355   2HG2  ILE  41          2HG2      ILE  41  -2.177  -8.035   3.461
  356   3HG2  ILE  41          3HG2      ILE  41  -0.735  -8.661   4.252
  357   1HD1  ILE  41          1HD1      ILE  41  -2.161 -10.801   8.141
  358   2HD1  ILE  41          2HD1      ILE  41  -3.395 -10.916   6.886
  359   3HD1  ILE  41          3HD1      ILE  41  -3.531  -9.691   8.148
  360    H    ILE  42           H        ILE  42  -3.989  -7.241   3.254
  361    HA   ILE  42           HA       ILE  42  -3.694  -4.760   4.603
  362    HB   ILE  42           HB       ILE  42  -4.221  -3.780   2.315
  363   1HG1  ILE  42          2HG1      ILE  42  -4.090  -6.680   1.468
  364   2HG1  ILE  42          1HG1      ILE  42  -5.545  -5.688   1.468
  365   1HG2  ILE  42          1HG2      ILE  42  -1.997  -5.786   2.281
  366   2HG2  ILE  42          2HG2      ILE  42  -1.946  -4.306   3.239
  367   3HG2  ILE  42          3HG2      ILE  42  -2.066  -4.217   1.481
  368   1HD1  ILE  42          1HD1      ILE  42  -3.255  -5.722  -0.387
  369   2HD1  ILE  42          2HD1      ILE  42  -3.958  -4.144  -0.028
  370   3HD1  ILE  42          3HD1      ILE  42  -4.967  -5.430  -0.693
  371    H    SER  43           H        SER  43  -5.205  -2.921   4.337
  372    HA   SER  43           HA       SER  43  -7.882  -3.743   5.061
  373   1HB   SER  43          2HB       SER  43  -6.568  -1.838   6.162
  374   2HB   SER  43          1HB       SER  43  -6.924  -0.901   4.711
  375    HG   SER  43           HG       SER  43  -8.939  -2.175   6.237
  376    H    VAL  44           H        VAL  44  -7.811  -4.683   2.710
  377    HA   VAL  44           HA       VAL  44  -9.047  -2.702   0.912
  378    HB   VAL  44           HB       VAL  44  -7.477  -5.144   0.077
  379   1HG1  VAL  44          1HG1      VAL  44  -7.540  -4.143  -2.144
  380   2HG1  VAL  44          2HG1      VAL  44  -8.512  -2.810  -1.522
  381   3HG1  VAL  44          3HG1      VAL  44  -9.167  -4.447  -1.535
  382   1HG2  VAL  44          1HG2      VAL  44  -5.786  -3.446  -0.683
  383   2HG2  VAL  44          2HG2      VAL  44  -5.917  -3.663   1.063
  384   3HG2  VAL  44          3HG2      VAL  44  -6.656  -2.260   0.289
  385    H    SER  45           H        SER  45 -10.825  -3.370  -0.311
  386    HA   SER  45           HA       SER  45 -12.112  -5.829   0.672
  387   1HB   SER  45          2HB       SER  45 -14.248  -4.785   0.058
  388   2HB   SER  45          1HB       SER  45 -13.346  -3.754   1.168
  389    HG   SER  45           HG       SER  45 -14.349  -2.922  -0.978
  390    H    SER  46           H        SER  46 -11.158  -7.237  -0.805
  391    HA   SER  46           HA       SER  46 -11.208  -6.764  -3.623
  392   1HB   SER  46          2HB       SER  46 -10.444  -9.038  -1.848
  393   2HB   SER  46          1HB       SER  46 -10.766  -9.385  -3.547
  394    HG   SER  46           HG       SER  46  -8.965  -7.392  -2.629
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  11.867  -3.886  -0.447
    2   2H    MET   1          2HT       MET   1  13.435  -4.458  -0.845
    3   3H    MET   1          3HT       MET   1  12.165  -5.572  -0.542
    4    HA   MET   1           HA       MET   1  10.986  -4.461  -2.448
    5   1HB   MET   1          2HB       MET   1  13.851  -3.646  -2.990
    6   2HB   MET   1          1HB       MET   1  12.485  -3.407  -4.071
    7   1HG   MET   1          2HG       MET   1  12.537  -2.223  -1.320
    8   2HG   MET   1          1HG       MET   1  13.291  -1.417  -2.695
    9   1HE   MET   1          1HE       MET   1   9.197  -1.282  -1.229
   10   2HE   MET   1          2HE       MET   1  10.490  -2.369  -0.727
   11   3HE   MET   1          3HE       MET   1   9.308  -2.898  -1.924
   12    H    ARG   2           H        ARG   2  14.236  -5.888  -2.204
   13    HA   ARG   2           HA       ARG   2  13.914  -7.616  -4.436
   14   1HB   ARG   2          2HB       ARG   2  16.050  -6.810  -3.014
   15   2HB   ARG   2          1HB       ARG   2  15.793  -8.385  -2.272
   16   1HG   ARG   2          2HG       ARG   2  15.889  -9.416  -4.514
   17   2HG   ARG   2          1HG       ARG   2  16.249  -7.829  -5.196
   18   1HD   ARG   2          2HD       ARG   2  17.909  -9.337  -3.179
   19   2HD   ARG   2          1HD       ARG   2  18.295  -9.098  -4.882
   20    HE   ARG   2           HE       ARG   2  18.649  -7.214  -2.740
   21   1HH1  ARG   2          1HH1      ARG   2  18.252  -7.569  -6.198
   22   2HH1  ARG   2          2HH1      ARG   2  19.013  -6.056  -6.560
   23   1HH2  ARG   2          1HH2      ARG   2  19.646  -5.229  -3.226
   24   2HH2  ARG   2          2HH2      ARG   2  19.802  -4.730  -4.877
   25    H    LYS   3           H        LYS   3  13.794  -8.199  -0.924
   26    HA   LYS   3           HA       LYS   3  11.729 -10.150  -1.206
   27   1HB   LYS   3          2HB       LYS   3  13.721 -11.466  -1.909
   28   2HB   LYS   3          1HB       LYS   3  14.444 -11.156  -0.336
   29   1HG   LYS   3          2HG       LYS   3  13.140 -12.666   0.714
   30   2HG   LYS   3          1HG       LYS   3  11.741 -12.334  -0.309
   31   1HD   LYS   3          2HD       LYS   3  14.020 -13.592  -1.679
   32   2HD   LYS   3          1HD       LYS   3  13.245 -14.590  -0.447
   33   1HE   LYS   3          2HE       LYS   3  11.351 -14.829  -1.646
   34   2HE   LYS   3          1HE       LYS   3  11.409 -13.177  -2.260
   35   1HZ   LYS   3          1HZ       LYS   3  11.868 -14.283  -4.163
   36   2HZ   LYS   3          2HZ       LYS   3  12.552 -15.617  -3.378
   37   3HZ   LYS   3          3HZ       LYS   3  13.450 -14.197  -3.571
   38    H    LEU   4           H        LEU   4  10.529  -9.376   0.412
   39    HA   LEU   4           HA       LEU   4  11.758  -9.234   3.084
   40   1HB   LEU   4          2HB       LEU   4   9.534  -7.372   2.406
   41   2HB   LEU   4          1HB       LEU   4  10.814  -7.196   3.589
   42    HG   LEU   4           HG       LEU   4  11.221  -6.949   0.605
   43   1HD1  LEU   4          1HD1      LEU   4  10.450  -4.980   2.687
   44   2HD1  LEU   4          2HD1      LEU   4  10.019  -5.054   0.979
   45   3HD1  LEU   4          3HD1      LEU   4  11.614  -4.477   1.462
   46   1HD2  LEU   4          1HD2      LEU   4  13.326  -7.382   1.336
   47   2HD2  LEU   4          2HD2      LEU   4  12.990  -6.838   2.979
   48   3HD2  LEU   4          3HD2      LEU   4  13.280  -5.657   1.702
   49    H    SER   5           H        SER   5  10.504  -9.943   4.782
   50    HA   SER   5           HA       SER   5   8.542 -11.879   4.258
   51   1HB   SER   5          2HB       SER   5   8.905 -10.420   6.878
   52   2HB   SER   5          1HB       SER   5   8.272 -12.047   6.633
   53    HG   SER   5           HG       SER   5  10.437 -12.486   5.700
   54    H    ASP   6           H        ASP   6   6.281 -11.866   4.990
   55    HA   ASP   6           HA       ASP   6   4.813  -9.781   3.851
   56   1HB   ASP   6          2HB       ASP   6   3.605 -11.405   6.072
   57   2HB   ASP   6          1HB       ASP   6   2.870 -10.830   4.586
   58    H    GLU   7           H        GLU   7   6.170 -10.123   7.024
   59    HA   GLU   7           HA       GLU   7   4.585  -8.097   8.261
   60   1HB   GLU   7          2HB       GLU   7   6.770  -9.865   9.017
   61   2HB   GLU   7          1HB       GLU   7   6.977  -8.254   9.689
   62   1HG   GLU   7          2HG       GLU   7   4.404  -8.641  10.294
   63   2HG   GLU   7          1HG       GLU   7   4.951 -10.316  10.281
   64    H    LEU   8           H        LEU   8   7.636  -8.197   6.561
   65    HA   LEU   8           HA       LEU   8   8.273  -5.441   7.106
   66   1HB   LEU   8          2HB       LEU   8   9.507  -7.641   5.527
   67   2HB   LEU   8          1HB       LEU   8   9.970  -5.987   5.170
   68    HG   LEU   8           HG       LEU   8  11.490  -7.138   6.753
   69   1HD1  LEU   8          1HD1      LEU   8  10.031  -4.768   7.895
   70   2HD1  LEU   8          2HD1      LEU   8  11.323  -4.703   6.696
   71   3HD1  LEU   8          3HD1      LEU   8  11.659  -5.294   8.323
   72   1HD2  LEU   8          1HD2      LEU   8   9.508  -6.826   8.932
   73   2HD2  LEU   8          2HD2      LEU   8  10.852  -7.958   8.776
   74   3HD2  LEU   8          3HD2      LEU   8   9.358  -8.235   7.881
   75    H    LEU   9           H        LEU   9   6.873  -7.309   4.483
   76    HA   LEU   9           HA       LEU   9   6.820  -5.138   2.620
   77   1HB   LEU   9          2HB       LEU   9   6.881  -7.405   1.799
   78   2HB   LEU   9          1HB       LEU   9   5.414  -7.805   2.668
   79    HG   LEU   9           HG       LEU   9   4.246  -6.076   1.196
   80   1HD1  LEU   9          1HD1      LEU   9   5.254  -5.324  -0.760
   81   2HD1  LEU   9          2HD1      LEU   9   6.559  -6.505  -0.658
   82   3HD1  LEU   9          3HD1      LEU   9   6.519  -5.137   0.455
   83   1HD2  LEU   9          1HD2      LEU   9   4.094  -7.682  -0.707
   84   2HD2  LEU   9          2HD2      LEU   9   3.856  -8.416   0.879
   85   3HD2  LEU   9          3HD2      LEU   9   5.394  -8.611   0.039
   86    H    ILE  10           H        ILE  10   4.441  -6.659   4.754
   87    HA   ILE  10           HA       ILE  10   2.315  -4.978   3.916
   88    HB   ILE  10           HB       ILE  10   2.592  -6.655   6.406
   89   1HG1  ILE  10          2HG1      ILE  10   0.918  -7.199   3.963
   90   2HG1  ILE  10          1HG1      ILE  10   2.598  -7.717   4.067
   91   1HG2  ILE  10          1HG2      ILE  10   0.079  -5.450   5.254
   92   2HG2  ILE  10          2HG2      ILE  10   0.938  -4.807   6.653
   93   3HG2  ILE  10          3HG2      ILE  10   0.222  -6.416   6.722
   94   1HD1  ILE  10          1HD1      ILE  10   0.639  -9.301   4.744
   95   2HD1  ILE  10          2HD1      ILE  10   0.756  -8.432   6.271
   96   3HD1  ILE  10          3HD1      ILE  10   2.156  -9.296   5.637
   97    H    GLU  11           H        GLU  11   4.750  -4.794   6.422
   98    HA   GLU  11           HA       GLU  11   3.634  -2.668   7.896
   99   1HB   GLU  11          2HB       GLU  11   6.343  -3.850   7.597
  100   2HB   GLU  11          1HB       GLU  11   6.241  -2.246   8.297
  101   1HG   GLU  11          2HG       GLU  11   4.877  -3.027  10.085
  102   2HG   GLU  11          1HG       GLU  11   4.686  -4.605   9.323
  103    H    SER  12           H        SER  12   5.374  -2.812   4.885
  104    HA   SER  12           HA       SER  12   6.037  -0.029   4.784
  105   1HB   SER  12          2HB       SER  12   5.732  -1.795   2.361
  106   2HB   SER  12          1HB       SER  12   6.842  -0.448   2.609
  107    HG   SER  12           HG       SER  12   7.749  -2.638   2.771
  108    H    TYR  13           H        TYR  13   3.489  -2.061   3.385
  109    HA   TYR  13           HA       TYR  13   2.142   0.028   2.034
  110   1HB   TYR  13          2HB       TYR  13   1.788  -2.410   1.600
  111   2HB   TYR  13          1HB       TYR  13   0.943  -2.522   3.137
  112    HD1  TYR  13           1HD      TYR  13   0.852  -0.601  -0.063
  113    HD2  TYR  13           2HD      TYR  13  -1.359  -2.265   3.169
  114    HE1  TYR  13           1HE      TYR  13  -1.245   0.044  -1.173
  115    HE2  TYR  13           2HE      TYR  13  -3.462  -1.625   2.066
  116    HH   TYR  13           HH       TYR  13  -4.044  -1.162  -0.662
  117    H    PHE  14           H        PHE  14   1.888  -1.339   5.268
  118    HA   PHE  14           HA       PHE  14  -0.385   0.181   6.053
  119   1HB   PHE  14          2HB       PHE  14   1.714  -1.330   7.582
  120   2HB   PHE  14          1HB       PHE  14   0.421  -0.472   8.394
  121    HD1  PHE  14           1HD      PHE  14  -0.515  -1.971   5.238
  122    HD2  PHE  14           2HD      PHE  14  -0.062  -2.713   9.408
  123    HE1  PHE  14           1HE      PHE  14  -1.937  -3.965   5.034
  124    HE2  PHE  14           2HE      PHE  14  -1.487  -4.709   9.207
  125    HZ   PHE  14           HZ       PHE  14  -2.422  -5.342   7.018
  126    H    LYS  15           H        LYS  15   3.100   0.547   6.526
  127    HA   LYS  15           HA       LYS  15   2.972   2.914   8.057
  128   1HB   LYS  15          2HB       LYS  15   5.121   1.584   6.437
  129   2HB   LYS  15          1HB       LYS  15   5.391   3.175   7.127
  130   1HG   LYS  15          2HG       LYS  15   4.647   0.710   8.688
  131   2HG   LYS  15          1HG       LYS  15   6.272   1.384   8.543
  132   1HD   LYS  15          2HD       LYS  15   5.737   2.466  10.443
  133   2HD   LYS  15          1HD       LYS  15   4.878   3.563   9.362
  134   1HE   LYS  15          2HE       LYS  15   2.851   2.853  10.045
  135   2HE   LYS  15          1HE       LYS  15   3.371   1.174  10.180
  136   1HZ   LYS  15          1HZ       LYS  15   4.706   2.267  12.201
  137   2HZ   LYS  15          2HZ       LYS  15   3.158   1.605  12.364
  138   3HZ   LYS  15          3HZ       LYS  15   3.348   3.275  12.183
  139    H    ALA  16           H        ALA  16   3.495   2.331   4.602
  140    HA   ALA  16           HA       ALA  16   3.790   5.008   3.840
  141   1HB   ALA  16          1HB       ALA  16   3.098   4.133   1.554
  142   2HB   ALA  16          2HB       ALA  16   2.951   2.555   2.328
  143   3HB   ALA  16          3HB       ALA  16   4.507   3.384   2.304
  144    H    THR  17           H        THR  17   0.909   3.035   4.294
  145    HA   THR  17           HA       THR  17  -0.878   4.871   3.059
  146    HB   THR  17           HB       THR  17  -2.625   3.605   4.409
  147    HG1  THR  17           1HG      THR  17  -1.931   1.791   5.497
  148   1HG2  THR  17          1HG2      THR  17  -2.654   2.567   2.439
  149   2HG2  THR  17          2HG2      THR  17  -1.741   1.306   3.268
  150   3HG2  THR  17          3HG2      THR  17  -0.895   2.530   2.320
  151    H    GLU  18           H        GLU  18   0.450   4.529   6.273
  152    HA   GLU  18           HA       GLU  18  -1.341   6.380   7.510
  153   1HB   GLU  18          2HB       GLU  18   0.907   4.706   8.316
  154   2HB   GLU  18          1HB       GLU  18   0.902   6.264   9.129
  155   1HG   GLU  18          2HG       GLU  18  -1.376   4.299   9.072
  156   2HG   GLU  18          1HG       GLU  18  -0.273   4.572  10.420
  157    H    MET  19           H        MET  19   1.995   6.563   6.351
  158    HA   MET  19           HA       MET  19   2.204   9.360   7.004
  159   1HB   MET  19          2HB       MET  19   4.443   9.197   6.158
  160   2HB   MET  19          1HB       MET  19   4.120   7.798   7.164
  161   1HG   MET  19          2HG       MET  19   3.843   6.411   5.231
  162   2HG   MET  19          1HG       MET  19   3.972   7.803   4.162
  163   1HE   MET  19          1HE       MET  19   7.248   5.071   5.134
  164   2HE   MET  19          2HE       MET  19   5.746   4.934   4.221
  165   3HE   MET  19          3HE       MET  19   5.702   5.008   5.981
  166    H    ASN  20           H        ASN  20   1.030   7.583   4.346
  167    HA   ASN  20           HA       ASN  20   0.120   8.254   2.370
  168   1HB   ASN  20          2HB       ASN  20   1.056  11.067   2.905
  169   2HB   ASN  20          1HB       ASN  20  -0.266  10.542   1.869
  170   1HD2  ASN  20          1HD2      ASN  20  -2.096   9.488   2.959
  171   2HD2  ASN  20          2HD2      ASN  20  -2.553  10.059   4.523
  172    H    LEU  21           H        LEU  21   2.674   7.196   2.589
  173    HA   LEU  21           HA       LEU  21   4.733   8.516   1.268
  174   1HB   LEU  21          2HB       LEU  21   4.589   6.186   2.472
  175   2HB   LEU  21          1HB       LEU  21   4.265   5.587   0.859
  176    HG   LEU  21           HG       LEU  21   6.692   7.262   1.392
  177   1HD1  LEU  21          1HD1      LEU  21   7.687   4.756   1.468
  178   2HD1  LEU  21          2HD1      LEU  21   6.162   4.524   2.321
  179   3HD1  LEU  21          3HD1      LEU  21   7.322   5.721   2.899
  180   1HD2  LEU  21          1HD2      LEU  21   7.013   6.878  -0.776
  181   2HD2  LEU  21          2HD2      LEU  21   5.586   5.846  -0.846
  182   3HD2  LEU  21          3HD2      LEU  21   7.153   5.156  -0.427
  183    H    ASN  22           H        ASN  22   5.541   8.209  -0.934
  184    HA   ASN  22           HA       ASN  22   3.928   9.009  -2.947
  185   1HB   ASN  22          2HB       ASN  22   6.444   8.720  -2.990
  186   2HB   ASN  22          1HB       ASN  22   6.160   7.037  -3.426
  187   1HD2  ASN  22          1HD2      ASN  22   7.540   8.008  -5.245
  188   2HD2  ASN  22          2HD2      ASN  22   6.662   8.586  -6.616
  189    H    ARG  23           H        ARG  23   2.429   8.214  -4.285
  190    HA   ARG  23           HA       ARG  23   1.024   5.900  -3.752
  191   1HB   ARG  23          2HB       ARG  23   0.368   7.927  -5.183
  192   2HB   ARG  23          1HB       ARG  23   1.155   7.085  -6.511
  193   1HG   ARG  23          2HG       ARG  23  -1.095   6.526  -6.722
  194   2HG   ARG  23          1HG       ARG  23  -0.372   5.121  -5.937
  195   1HD   ARG  23          2HD       ARG  23  -1.141   5.939  -3.764
  196   2HD   ARG  23          1HD       ARG  23  -1.854   7.349  -4.545
  197    HE   ARG  23           HE       ARG  23  -2.990   5.202  -5.804
  198   1HH1  ARG  23          1HH1      ARG  23  -2.785   6.293  -2.485
  199   2HH1  ARG  23          2HH1      ARG  23  -4.300   5.586  -2.034
  200   1HH2  ARG  23          1HH2      ARG  23  -4.977   4.278  -5.202
  201   2HH2  ARG  23          2HH2      ARG  23  -5.542   4.445  -3.573
  202    H    ASP  24           H        ASP  24   3.853   6.298  -5.758
  203    HA   ASP  24           HA       ASP  24   3.591   3.876  -7.192
  204   1HB   ASP  24          2HB       ASP  24   5.270   6.013  -7.370
  205   2HB   ASP  24          1HB       ASP  24   6.340   4.812  -6.650
  206    H    PHE  25           H        PHE  25   5.025   4.679  -4.089
  207    HA   PHE  25           HA       PHE  25   6.241   2.117  -3.708
  208   1HB   PHE  25          2HB       PHE  25   6.775   4.418  -2.556
  209   2HB   PHE  25          1HB       PHE  25   5.505   3.934  -1.436
  210    HD1  PHE  25           1HD      PHE  25   8.540   2.467  -3.041
  211    HD2  PHE  25           2HD      PHE  25   6.157   2.838   0.466
  212    HE1  PHE  25           1HE      PHE  25  10.168   1.105  -1.795
  213    HE2  PHE  25           2HE      PHE  25   7.780   1.477   1.718
  214    HZ   PHE  25           HZ       PHE  25   9.789   0.609   0.588
  215    H    ILE  26           H        ILE  26   3.283   3.723  -2.669
  216    HA   ILE  26           HA       ILE  26   2.270   1.661  -1.049
  217    HB   ILE  26           HB       ILE  26   0.834   3.816  -2.612
  218   1HG1  ILE  26          2HG1      ILE  26   1.651   3.607   0.293
  219   2HG1  ILE  26          1HG1      ILE  26   2.357   4.674  -0.915
  220   1HG2  ILE  26          1HG2      ILE  26  -0.252   2.013  -0.441
  221   2HG2  ILE  26          2HG2      ILE  26  -0.722   1.997  -2.141
  222   3HG2  ILE  26          3HG2      ILE  26  -1.094   3.398  -1.137
  223   1HD1  ILE  26          1HD1      ILE  26  -0.227   4.881   0.529
  224   2HD1  ILE  26          2HD1      ILE  26  -0.119   5.543  -1.103
  225   3HD1  ILE  26          3HD1      ILE  26   0.968   6.123   0.159
  226    H    GLU  27           H        GLU  27   1.767   2.426  -4.490
  227    HA   GLU  27           HA       GLU  27   0.062   0.206  -4.966
  228   1HB   GLU  27          2HB       GLU  27   0.668   2.433  -6.383
  229   2HB   GLU  27          1HB       GLU  27   1.658   1.253  -7.227
  230   1HG   GLU  27          2HG       GLU  27  -0.720  -0.060  -7.029
  231   2HG   GLU  27          1HG       GLU  27  -1.239   1.615  -7.213
  232    H    LEU  28           H        LEU  28   3.507   0.691  -4.994
  233    HA   LEU  28           HA       LEU  28   4.194  -1.684  -6.383
  234   1HB   LEU  28          2HB       LEU  28   5.879  -0.079  -6.358
  235   2HB   LEU  28          1HB       LEU  28   5.632   0.305  -4.669
  236    HG   LEU  28           HG       LEU  28   6.758  -2.370  -5.394
  237   1HD1  LEU  28          1HD1      LEU  28   9.022  -1.386  -5.295
  238   2HD1  LEU  28          2HD1      LEU  28   8.296   0.221  -5.313
  239   3HD1  LEU  28          3HD1      LEU  28   8.102  -0.849  -6.701
  240   1HD2  LEU  28          1HD2      LEU  28   8.061  -1.712  -3.244
  241   2HD2  LEU  28          2HD2      LEU  28   6.377  -2.219  -3.116
  242   3HD2  LEU  28          3HD2      LEU  28   6.790  -0.506  -3.057
  243    H    ILE  29           H        ILE  29   3.969  -0.857  -2.936
  244    HA   ILE  29           HA       ILE  29   4.672  -3.467  -2.037
  245    HB   ILE  29           HB       ILE  29   3.112  -1.365  -0.524
  246   1HG1  ILE  29          2HG1      ILE  29   6.041  -1.750  -0.136
  247   2HG1  ILE  29          1HG1      ILE  29   5.521  -0.867  -1.567
  248   1HG2  ILE  29          1HG2      ILE  29   3.940  -2.482   1.459
  249   2HG2  ILE  29          2HG2      ILE  29   4.830  -3.636   0.464
  250   3HG2  ILE  29          3HG2      ILE  29   3.066  -3.626   0.439
  251   1HD1  ILE  29          1HD1      ILE  29   5.074   0.956  -0.384
  252   2HD1  ILE  29          2HD1      ILE  29   5.930   0.176   0.945
  253   3HD1  ILE  29          3HD1      ILE  29   4.176   0.045   0.830
  254    H    GLU  30           H        GLU  30   1.704  -1.858  -2.933
  255    HA   GLU  30           HA       GLU  30  -0.028  -3.898  -1.888
  256   1HB   GLU  30          2HB       GLU  30  -0.541  -1.385  -2.417
  257   2HB   GLU  30          1HB       GLU  30  -0.845  -1.979  -4.043
  258   1HG   GLU  30          2HG       GLU  30  -2.423  -3.655  -2.927
  259   2HG   GLU  30          1HG       GLU  30  -2.301  -2.615  -1.507
  260    H    ASN  31           H        ASN  31   1.546  -3.178  -4.928
  261    HA   ASN  31           HA       ASN  31   0.088  -5.022  -6.518
  262   1HB   ASN  31          2HB       ASN  31   2.628  -3.478  -6.825
  263   2HB   ASN  31          1HB       ASN  31   2.311  -4.799  -7.942
  264   1HD2  ASN  31          1HD2      ASN  31   2.402  -2.905  -9.435
  265   2HD2  ASN  31          2HD2      ASN  31   0.921  -2.075  -9.752
  266    H    GLU  32           H        GLU  32   2.854  -5.300  -4.416
  267    HA   GLU  32           HA       GLU  32   3.597  -7.915  -5.384
  268   1HB   GLU  32          2HB       GLU  32   5.304  -6.421  -4.439
  269   2HB   GLU  32          1HB       GLU  32   4.452  -6.405  -2.902
  270   1HG   GLU  32          2HG       GLU  32   6.089  -7.940  -2.482
  271   2HG   GLU  32          1HG       GLU  32   4.778  -8.989  -3.019
  272    H    ILE  33           H        ILE  33   1.993  -6.540  -2.562
  273    HA   ILE  33           HA       ILE  33   1.472  -8.981  -1.238
  274    HB   ILE  33           HB       ILE  33   0.035  -6.319  -1.101
  275   1HG1  ILE  33          2HG1      ILE  33   1.965  -7.487   0.898
  276   2HG1  ILE  33          1HG1      ILE  33   2.504  -6.492  -0.451
  277   1HG2  ILE  33          1HG2      ILE  33  -0.222  -7.836   1.311
  278   2HG2  ILE  33          2HG2      ILE  33  -0.798  -8.804  -0.045
  279   3HG2  ILE  33          3HG2      ILE  33  -1.485  -7.209   0.251
  280   1HD1  ILE  33          1HD1      ILE  33   2.310  -5.136   1.514
  281   2HD1  ILE  33          2HD1      ILE  33   0.649  -5.672   1.769
  282   3HD1  ILE  33          3HD1      ILE  33   1.049  -4.672   0.372
  283    H    LYS  34           H        LYS  34  -0.174  -7.180  -3.766
  284    HA   LYS  34           HA       LYS  34  -2.612  -8.633  -3.684
  285   1HB   LYS  34          2HB       LYS  34  -1.307  -6.703  -5.516
  286   2HB   LYS  34          1HB       LYS  34  -2.484  -7.777  -6.258
  287   1HG   LYS  34          2HG       LYS  34  -4.193  -7.030  -4.729
  288   2HG   LYS  34          1HG       LYS  34  -3.022  -6.032  -3.865
  289   1HD   LYS  34          2HD       LYS  34  -2.708  -5.146  -6.420
  290   2HD   LYS  34          1HD       LYS  34  -4.428  -5.537  -6.395
  291   1HE   LYS  34          2HE       LYS  34  -4.153  -4.233  -4.033
  292   2HE   LYS  34          1HE       LYS  34  -2.947  -3.405  -5.016
  293   1HZ   LYS  34          1HZ       LYS  34  -4.524  -2.570  -6.414
  294   2HZ   LYS  34          2HZ       LYS  34  -5.425  -2.622  -4.984
  295   3HZ   LYS  34          3HZ       LYS  34  -5.617  -3.834  -6.147
  296    H    ARG  35           H        ARG  35   0.326  -8.899  -5.664
  297    HA   ARG  35           HA       ARG  35  -0.562 -11.179  -7.122
  298   1HB   ARG  35          2HB       ARG  35   1.290  -9.484  -7.730
  299   2HB   ARG  35          1HB       ARG  35   2.324 -10.456  -6.693
  300   1HG   ARG  35          2HG       ARG  35   2.365 -12.213  -8.138
  301   2HG   ARG  35          1HG       ARG  35   0.767 -11.853  -8.796
  302   1HD   ARG  35          2HD       ARG  35   1.647 -10.006 -10.061
  303   2HD   ARG  35          1HD       ARG  35   3.229 -10.191  -9.304
  304    HE   ARG  35           HE       ARG  35   2.728 -12.604 -10.494
  305   1HH1  ARG  35          1HH1      ARG  35   2.915  -9.290 -11.600
  306   2HH1  ARG  35          2HH1      ARG  35   3.454  -9.724 -13.187
  307   1HH2  ARG  35          1HH2      ARG  35   3.436 -13.165 -12.580
  308   2HH2  ARG  35          2HH2      ARG  35   3.749 -11.920 -13.743
  309    H    ARG  36           H        ARG  36   0.949 -10.701  -4.038
  310    HA   ARG  36           HA       ARG  36   1.911 -13.393  -3.763
  311   1HB   ARG  36          2HB       ARG  36   1.753 -10.983  -2.000
  312   2HB   ARG  36          1HB       ARG  36   2.033 -12.553  -1.269
  313   1HG   ARG  36          2HG       ARG  36   3.906 -12.714  -3.109
  314   2HG   ARG  36          1HG       ARG  36   3.788 -10.954  -3.053
  315   1HD   ARG  36          2HD       ARG  36   3.956 -11.269  -0.489
  316   2HD   ARG  36          1HD       ARG  36   4.583 -12.866  -0.891
  317    HE   ARG  36           HE       ARG  36   5.995 -10.979  -2.388
  318   1HH1  ARG  36          1HH1      ARG  36   5.598 -11.917   0.960
  319   2HH1  ARG  36          2HH1      ARG  36   7.182 -11.392   1.418
  320   1HH2  ARG  36          1HH2      ARG  36   8.074 -10.292  -1.775
  321   2HH2  ARG  36          2HH2      ARG  36   8.586 -10.471  -0.130
  322    H    SER  37           H        SER  37  -1.186 -12.277  -3.845
  323    HA   SER  37           HA       SER  37  -3.185 -13.085  -3.134
  324   1HB   SER  37          2HB       SER  37  -2.061 -15.268  -3.815
  325   2HB   SER  37          1HB       SER  37  -1.687 -15.501  -2.108
  326    HG   SER  37           HG       SER  37  -3.651 -16.518  -2.728
  327    H    LEU  38           H        LEU  38  -1.610 -11.422  -1.432
  328    HA   LEU  38           HA       LEU  38  -2.573 -12.302   1.215
  329   1HB   LEU  38          2HB       LEU  38  -0.012 -12.166   0.677
  330   2HB   LEU  38          1HB       LEU  38  -0.258 -10.446   0.907
  331    HG   LEU  38           HG       LEU  38  -1.225 -10.993   3.174
  332   1HD1  LEU  38          1HD1      LEU  38  -1.161 -13.097   4.049
  333   2HD1  LEU  38          2HD1      LEU  38   0.190 -13.598   3.033
  334   3HD1  LEU  38          3HD1      LEU  38  -1.434 -13.495   2.352
  335   1HD2  LEU  38          1HD2      LEU  38   0.995 -11.367   4.187
  336   2HD2  LEU  38          2HD2      LEU  38   1.008 -10.108   2.952
  337   3HD2  LEU  38          3HD2      LEU  38   1.641 -11.712   2.584
  338    H    GLY  39           H        GLY  39  -3.667 -10.462  -1.040
  339   1HA   GLY  39          2HA       GLY  39  -3.646  -7.799  -0.147
  340   2HA   GLY  39          1HA       GLY  39  -4.911  -8.536  -1.126
  341    H    HIS  40           H        HIS  40  -5.461 -10.582   0.947
  342    HA   HIS  40           HA       HIS  40  -7.538  -9.288   2.306
  343   1HB   HIS  40          2HB       HIS  40  -7.682 -11.350   3.664
  344   2HB   HIS  40          1HB       HIS  40  -7.551 -11.697   1.943
  345    HD1  HIS  40           1HD      HIS  40  -5.572 -13.071   1.180
  346    HD2  HIS  40           2HD      HIS  40  -5.315 -11.936   5.169
  347    HE1  HIS  40           1HE      HIS  40  -3.634 -14.367   2.124
  348    HE2  HIS  40           2HE      HIS  40  -3.542 -13.717   4.556
  349    H    ILE  41           H        ILE  41  -4.174  -9.691   3.084
  350    HA   ILE  41           HA       ILE  41  -4.386  -9.096   5.859
  351    HB   ILE  41           HB       ILE  41  -2.453 -10.255   4.563
  352   1HG1  ILE  41          2HG1      ILE  41  -0.840  -9.618   6.297
  353   2HG1  ILE  41          1HG1      ILE  41  -1.853  -8.244   6.732
  354   1HG2  ILE  41          1HG2      ILE  41  -1.018  -7.683   4.553
  355   2HG2  ILE  41          2HG2      ILE  41  -2.175  -7.936   3.250
  356   3HG2  ILE  41          3HG2      ILE  41  -0.860  -9.079   3.489
  357   1HD1  ILE  41          1HD1      ILE  41  -3.324 -10.736   6.743
  358   2HD1  ILE  41          2HD1      ILE  41  -3.161  -9.513   8.001
  359   3HD1  ILE  41          3HD1      ILE  41  -1.936 -10.770   7.828
  360    H    ILE  42           H        ILE  42  -4.041  -7.225   2.932
  361    HA   ILE  42           HA       ILE  42  -3.692  -4.744   4.436
  362    HB   ILE  42           HB       ILE  42  -3.087  -3.694   2.394
  363   1HG1  ILE  42          2HG1      ILE  42  -3.958  -6.161   0.896
  364   2HG1  ILE  42          1HG1      ILE  42  -4.859  -4.652   0.955
  365   1HG2  ILE  42          1HG2      ILE  42  -1.917  -6.406   2.011
  366   2HG2  ILE  42          2HG2      ILE  42  -1.515  -5.424   3.420
  367   3HG2  ILE  42          3HG2      ILE  42  -1.162  -4.828   1.797
  368   1HD1  ILE  42          1HD1      ILE  42  -2.335  -3.894   0.132
  369   2HD1  ILE  42          2HD1      ILE  42  -3.766  -4.077  -0.881
  370   3HD1  ILE  42          3HD1      ILE  42  -2.631  -5.415  -0.710
  371    H    SER  43           H        SER  43  -4.871  -2.870   3.007
  372    HA   SER  43           HA       SER  43  -7.726  -3.525   3.185
  373   1HB   SER  43          2HB       SER  43  -6.677  -1.560   4.502
  374   2HB   SER  43          1HB       SER  43  -6.584  -0.742   2.942
  375    HG   SER  43           HG       SER  43  -8.522  -0.252   4.051
  376    H    VAL  44           H        VAL  44  -7.630  -4.615   1.135
  377    HA   VAL  44           HA       VAL  44  -7.005  -3.014  -1.209
  378    HB   VAL  44           HB       VAL  44  -8.212  -5.736  -1.481
  379   1HG1  VAL  44          1HG1      VAL  44  -6.333  -5.769  -3.249
  380   2HG1  VAL  44          2HG1      VAL  44  -6.249  -4.032  -2.956
  381   3HG1  VAL  44          3HG1      VAL  44  -7.752  -4.758  -3.528
  382   1HG2  VAL  44          1HG2      VAL  44  -6.365  -5.779   0.336
  383   2HG2  VAL  44          2HG2      VAL  44  -5.267  -5.494  -1.009
  384   3HG2  VAL  44          3HG2      VAL  44  -6.282  -6.931  -0.989
  385    H    SER  45           H        SER  45  -8.488  -1.676  -1.979
  386    HA   SER  45           HA       SER  45 -11.318  -2.269  -1.580
  387   1HB   SER  45          2HB       SER  45 -10.357   0.012  -1.066
  388   2HB   SER  45          1HB       SER  45 -10.103   0.218  -2.799
  389    HG   SER  45           HG       SER  45 -12.145   1.040  -1.837
  390    H    SER  46           H        SER  46 -11.645  -3.918  -3.073
  391    HA   SER  46           HA       SER  46 -12.054  -3.013  -5.786
  392   1HB   SER  46          2HB       SER  46  -9.614  -4.078  -5.358
  393   2HB   SER  46          1HB       SER  46 -10.526  -5.554  -5.675
  394    HG   SER  46           HG       SER  46 -10.617  -5.025  -7.703
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  12.709  -4.761  -1.312
    2   2H    MET   1          2HT       MET   1  11.423  -5.792  -0.831
    3   3H    MET   1          3HT       MET   1  11.219  -4.088  -0.796
    4    HA   MET   1           HA       MET   1  10.103  -4.820  -2.662
    5   1HB   MET   1          2HB       MET   1  12.697  -3.436  -2.948
    6   2HB   MET   1          1HB       MET   1  12.012  -4.046  -4.447
    7   1HG   MET   1          2HG       MET   1  11.169  -1.909  -4.345
    8   2HG   MET   1          1HG       MET   1   9.853  -2.867  -3.668
    9   1HE   MET   1          1HE       MET   1   9.003  -2.920  -1.734
   10   2HE   MET   1          2HE       MET   1   8.759  -1.324  -1.022
   11   3HE   MET   1          3HE       MET   1   9.751  -2.520  -0.187
   12    H    ARG   2           H        ARG   2  13.381  -6.170  -2.564
   13    HA   ARG   2           HA       ARG   2  13.062  -7.883  -4.798
   14   1HB   ARG   2          2HB       ARG   2  15.182  -7.110  -3.289
   15   2HB   ARG   2          1HB       ARG   2  14.930  -8.738  -2.674
   16   1HG   ARG   2          2HG       ARG   2  16.431  -9.084  -4.385
   17   2HG   ARG   2          1HG       ARG   2  14.887  -9.407  -5.177
   18   1HD   ARG   2          2HD       ARG   2  14.872  -7.138  -6.080
   19   2HD   ARG   2          1HD       ARG   2  16.405  -6.802  -5.275
   20    HE   ARG   2           HE       ARG   2  16.840  -9.024  -6.846
   21   1HH1  ARG   2          1HH1      ARG   2  15.864  -5.707  -7.376
   22   2HH1  ARG   2          2HH1      ARG   2  16.561  -5.629  -8.958
   23   1HH2  ARG   2          1HH2      ARG   2  17.753  -8.913  -8.925
   24   2HH2  ARG   2          2HH2      ARG   2  17.631  -7.446  -9.838
   25    H    LYS   3           H        LYS   3  12.913  -8.510  -1.295
   26    HA   LYS   3           HA       LYS   3  10.800 -10.368  -1.536
   27   1HB   LYS   3          2HB       LYS   3  12.072 -12.404  -0.819
   28   2HB   LYS   3          1HB       LYS   3  12.400 -11.882  -2.465
   29   1HG   LYS   3          2HG       LYS   3  14.444 -10.718  -1.570
   30   2HG   LYS   3          1HG       LYS   3  14.148 -11.550  -0.044
   31   1HD   LYS   3          2HD       LYS   3  14.667 -13.612  -0.909
   32   2HD   LYS   3          1HD       LYS   3  14.224 -13.151  -2.554
   33   1HE   LYS   3          2HE       LYS   3  16.517 -11.735  -1.328
   34   2HE   LYS   3          1HE       LYS   3  16.759 -13.429  -1.753
   35   1HZ   LYS   3          1HZ       LYS   3  15.986 -11.204  -3.554
   36   2HZ   LYS   3          2HZ       LYS   3  15.895 -12.831  -4.009
   37   3HZ   LYS   3          3HZ       LYS   3  17.391 -12.145  -3.615
   38    H    LEU   4           H        LEU   4   9.845  -9.424   0.187
   39    HA   LEU   4           HA       LEU   4  11.251  -9.639   2.770
   40   1HB   LEU   4          2HB       LEU   4   9.164  -7.549   2.369
   41   2HB   LEU   4          1HB       LEU   4  10.524  -7.566   3.472
   42    HG   LEU   4           HG       LEU   4  10.718  -7.110   0.491
   43   1HD1  LEU   4          1HD1      LEU   4  11.209  -4.800   1.073
   44   2HD1  LEU   4          2HD1      LEU   4  10.953  -5.163   2.780
   45   3HD1  LEU   4          3HD1      LEU   4   9.607  -5.265   1.645
   46   1HD2  LEU   4          1HD2      LEU   4  12.708  -7.462   2.657
   47   2HD2  LEU   4          2HD2      LEU   4  13.028  -6.205   1.461
   48   3HD2  LEU   4          3HD2      LEU   4  12.806  -7.877   0.945
   49    H    SER   5           H        SER   5  10.054 -10.339   4.519
   50    HA   SER   5           HA       SER   5   7.894 -12.066   4.031
   51   1HB   SER   5          2HB       SER   5   8.430 -10.831   6.724
   52   2HB   SER   5          1HB       SER   5   7.846 -12.454   6.354
   53    HG   SER   5           HG       SER   5   9.903 -12.951   5.547
   54    H    ASP   6           H        ASP   6   5.690 -11.899   4.928
   55    HA   ASP   6           HA       ASP   6   4.330  -9.667   3.985
   56   1HB   ASP   6          2HB       ASP   6   3.221 -11.251   6.295
   57   2HB   ASP   6          1HB       ASP   6   2.366 -10.527   4.944
   58    H    GLU   7           H        GLU   7   5.898 -10.198   7.042
   59    HA   GLU   7           HA       GLU   7   4.632  -8.093   8.459
   60   1HB   GLU   7          2HB       GLU   7   6.852  -9.934   8.896
   61   2HB   GLU   7          1HB       GLU   7   7.172  -8.341   9.566
   62   1HG   GLU   7          2HG       GLU   7   5.617  -8.556  11.177
   63   2HG   GLU   7          1HG       GLU   7   4.511  -9.459  10.143
   64    H    LEU   8           H        LEU   8   7.463  -8.274   6.404
   65    HA   LEU   8           HA       LEU   8   8.193  -5.521   6.867
   66   1HB   LEU   8          2HB       LEU   8   9.259  -7.758   5.224
   67   2HB   LEU   8          1HB       LEU   8   9.706  -6.117   4.796
   68    HG   LEU   8           HG       LEU   8  11.334  -7.297   6.276
   69   1HD1  LEU   8          1HD1      LEU   8  11.363  -4.901   6.132
   70   2HD1  LEU   8          2HD1      LEU   8  11.644  -5.385   7.804
   71   3HD1  LEU   8          3HD1      LEU   8  10.062  -4.780   7.315
   72   1HD2  LEU   8          1HD2      LEU   8   9.290  -8.257   7.647
   73   2HD2  LEU   8          2HD2      LEU   8   9.554  -6.794   8.596
   74   3HD2  LEU   8          3HD2      LEU   8  10.856  -7.968   8.404
   75    H    LEU   9           H        LEU   9   6.552  -7.395   4.388
   76    HA   LEU   9           HA       LEU   9   6.383  -5.235   2.525
   77   1HB   LEU   9          2HB       LEU   9   6.302  -7.737   2.016
   78   2HB   LEU   9          1HB       LEU   9   4.636  -7.680   2.559
   79    HG   LEU   9           HG       LEU   9   4.148  -6.010   0.790
   80   1HD1  LEU   9          1HD1      LEU   9   6.375  -5.070   0.539
   81   2HD1  LEU   9          2HD1      LEU   9   5.781  -5.682  -1.004
   82   3HD1  LEU   9          3HD1      LEU   9   6.971  -6.607  -0.087
   83   1HD2  LEU   9          1HD2      LEU   9   5.377  -8.563  -0.243
   84   2HD2  LEU   9          2HD2      LEU   9   4.152  -7.581  -1.046
   85   3HD2  LEU   9          3HD2      LEU   9   3.763  -8.424   0.454
   86    H    ILE  10           H        ILE  10   4.267  -6.572   4.995
   87    HA   ILE  10           HA       ILE  10   2.043  -4.948   4.246
   88    HB   ILE  10           HB       ILE  10   2.561  -6.521   6.766
   89   1HG1  ILE  10          2HG1      ILE  10   0.587  -7.134   4.583
   90   2HG1  ILE  10          1HG1      ILE  10   2.265  -7.654   4.465
   91   1HG2  ILE  10          1HG2      ILE  10   0.967  -5.099   7.571
   92   2HG2  ILE  10          2HG2      ILE  10  -0.080  -6.283   6.791
   93   3HG2  ILE  10          3HG2      ILE  10   0.298  -4.767   5.973
   94   1HD1  ILE  10          1HD1      ILE  10   0.586  -8.301   6.847
   95   2HD1  ILE  10          2HD1      ILE  10   2.068  -9.076   6.293
   96   3HD1  ILE  10          3HD1      ILE  10   0.571  -9.300   5.397
   97    H    GLU  11           H        GLU  11   4.606  -4.741   6.654
   98    HA   GLU  11           HA       GLU  11   3.643  -2.474   8.009
   99   1HB   GLU  11          2HB       GLU  11   6.250  -3.850   7.753
  100   2HB   GLU  11          1HB       GLU  11   6.311  -2.179   8.277
  101   1HG   GLU  11          2HG       GLU  11   6.263  -3.803  10.136
  102   2HG   GLU  11          1HG       GLU  11   4.929  -2.652  10.170
  103    H    SER  12           H        SER  12   5.272  -2.873   4.956
  104    HA   SER  12           HA       SER  12   6.049  -0.120   4.688
  105   1HB   SER  12          2HB       SER  12   6.948  -2.262   3.442
  106   2HB   SER  12          1HB       SER  12   5.631  -1.918   2.322
  107    HG   SER  12           HG       SER  12   7.572  -0.004   3.100
  108    H    TYR  13           H        TYR  13   3.390  -2.136   3.524
  109    HA   TYR  13           HA       TYR  13   2.085  -0.093   2.048
  110   1HB   TYR  13          2HB       TYR  13   1.670  -2.516   1.706
  111   2HB   TYR  13          1HB       TYR  13   0.911  -2.593   3.290
  112    HD1  TYR  13           1HD      TYR  13   0.619  -0.944  -0.032
  113    HD2  TYR  13           2HD      TYR  13  -1.372  -2.159   3.526
  114    HE1  TYR  13           1HE      TYR  13  -1.541  -0.342  -1.041
  115    HE2  TYR  13           2HE      TYR  13  -3.538  -1.562   2.525
  116    HH   TYR  13           HH       TYR  13  -4.028   0.363   0.216
  117    H    PHE  14           H        PHE  14   1.861  -1.293   5.342
  118    HA   PHE  14           HA       PHE  14  -0.365   0.331   6.075
  119   1HB   PHE  14          2HB       PHE  14   1.656  -1.234   7.658
  120   2HB   PHE  14          1HB       PHE  14   0.375  -0.320   8.429
  121    HD1  PHE  14           1HD      PHE  14  -0.857  -1.606   5.377
  122    HD2  PHE  14           2HD      PHE  14   0.099  -2.764   9.363
  123    HE1  PHE  14           1HE      PHE  14  -2.344  -3.552   5.165
  124    HE2  PHE  14           2HE      PHE  14  -1.389  -4.711   9.153
  125    HZ   PHE  14           HZ       PHE  14  -2.611  -5.115   7.050
  126    H    LYS  15           H        LYS  15   3.139   0.618   6.391
  127    HA   LYS  15           HA       LYS  15   3.134   2.981   7.945
  128   1HB   LYS  15          2HB       LYS  15   5.173   1.619   6.218
  129   2HB   LYS  15          1HB       LYS  15   5.499   3.213   6.874
  130   1HG   LYS  15          2HG       LYS  15   4.687   0.904   8.610
  131   2HG   LYS  15          1HG       LYS  15   6.369   1.239   8.193
  132   1HD   LYS  15          2HD       LYS  15   6.324   2.497  10.061
  133   2HD   LYS  15          1HD       LYS  15   5.553   3.688   9.011
  134   1HE   LYS  15          2HE       LYS  15   3.478   3.334   9.904
  135   2HE   LYS  15          1HE       LYS  15   3.826   1.658  10.324
  136   1HZ   LYS  15          1HZ       LYS  15   5.422   2.689  12.026
  137   2HZ   LYS  15          2HZ       LYS  15   3.764   2.727  12.359
  138   3HZ   LYS  15          3HZ       LYS  15   4.543   4.116  11.788
  139    H    ALA  16           H        ALA  16   3.485   2.405   4.464
  140    HA   ALA  16           HA       ALA  16   3.787   5.061   3.677
  141   1HB   ALA  16          1HB       ALA  16   4.306   3.328   2.132
  142   2HB   ALA  16          2HB       ALA  16   2.975   4.258   1.444
  143   3HB   ALA  16          3HB       ALA  16   2.662   2.695   2.198
  144    H    THR  17           H        THR  17   0.872   3.197   4.326
  145    HA   THR  17           HA       THR  17  -0.919   5.131   3.253
  146    HB   THR  17           HB       THR  17  -2.654   3.895   4.533
  147    HG1  THR  17           1HG      THR  17  -2.044   2.144   5.774
  148   1HG2  THR  17          1HG2      THR  17  -2.559   2.769   2.600
  149   2HG2  THR  17          2HG2      THR  17  -1.839   1.512   3.607
  150   3HG2  THR  17          3HG2      THR  17  -0.806   2.587   2.664
  151    H    GLU  18           H        GLU  18   0.612   4.648   6.357
  152    HA   GLU  18           HA       GLU  18  -1.010   6.559   7.742
  153   1HB   GLU  18          2HB       GLU  18   1.126   4.700   8.393
  154   2HB   GLU  18          1HB       GLU  18   1.324   6.238   9.221
  155   1HG   GLU  18          2HG       GLU  18  -1.118   5.978   9.915
  156   2HG   GLU  18          1HG       GLU  18  -0.956   4.301   9.392
  157    H    MET  19           H        MET  19   2.257   6.569   6.387
  158    HA   MET  19           HA       MET  19   2.678   9.326   7.118
  159   1HB   MET  19          2HB       MET  19   4.864   9.053   6.206
  160   2HB   MET  19          1HB       MET  19   4.485   7.610   7.124
  161   1HG   MET  19          2HG       MET  19   4.112   6.355   5.144
  162   2HG   MET  19          1HG       MET  19   4.187   7.802   4.141
  163   1HE   MET  19          1HE       MET  19   7.319   4.946   4.369
  164   2HE   MET  19          2HE       MET  19   5.567   4.849   4.533
  165   3HE   MET  19          3HE       MET  19   6.577   5.010   5.968
  166    H    ASN  20           H        ASN  20   1.285   7.700   4.464
  167    HA   ASN  20           HA       ASN  20   0.321   8.487   2.555
  168   1HB   ASN  20          2HB       ASN  20   1.442  11.225   3.118
  169   2HB   ASN  20          1HB       ASN  20   0.037  10.806   2.146
  170   1HD2  ASN  20          1HD2      ASN  20   0.673  12.419   4.721
  171   2HD2  ASN  20          2HD2      ASN  20  -0.616  11.967   5.777
  172    H    LEU  21           H        LEU  21   2.856   7.312   2.658
  173    HA   LEU  21           HA       LEU  21   4.892   8.575   1.247
  174   1HB   LEU  21          2HB       LEU  21   4.739   6.255   2.456
  175   2HB   LEU  21          1HB       LEU  21   4.312   5.661   0.865
  176    HG   LEU  21           HG       LEU  21   6.813   7.264   1.258
  177   1HD1  LEU  21          1HD1      LEU  21   7.725   5.726   2.563
  178   2HD1  LEU  21          2HD1      LEU  21   7.512   4.541   1.276
  179   3HD1  LEU  21          3HD1      LEU  21   6.263   4.744   2.504
  180   1HD2  LEU  21          1HD2      LEU  21   5.554   5.858  -0.902
  181   2HD2  LEU  21          2HD2      LEU  21   7.119   5.125  -0.555
  182   3HD2  LEU  21          3HD2      LEU  21   7.014   6.845  -0.917
  183    H    ASN  22           H        ASN  22   5.590   8.240  -0.988
  184    HA   ASN  22           HA       ASN  22   3.886   9.089  -2.918
  185   1HB   ASN  22          2HB       ASN  22   6.411   8.749  -3.054
  186   2HB   ASN  22          1HB       ASN  22   6.057   7.097  -3.549
  187   1HD2  ASN  22          1HD2      ASN  22   7.365   8.060  -5.402
  188   2HD2  ASN  22          2HD2      ASN  22   6.448   8.742  -6.698
  189    H    ARG  23           H        ARG  23   2.395   8.295  -4.291
  190    HA   ARG  23           HA       ARG  23   0.973   5.987  -3.687
  191   1HB   ARG  23          2HB       ARG  23   0.129   7.942  -4.993
  192   2HB   ARG  23          1HB       ARG  23   1.058   7.366  -6.370
  193   1HG   ARG  23          2HG       ARG  23  -0.882   6.378  -6.919
  194   2HG   ARG  23          1HG       ARG  23  -0.335   5.141  -5.786
  195   1HD   ARG  23          2HD       ARG  23  -1.610   6.203  -3.999
  196   2HD   ARG  23          1HD       ARG  23  -2.134   7.466  -5.110
  197    HE   ARG  23           HE       ARG  23  -2.895   5.070  -6.251
  198   1HH1  ARG  23          1HH1      ARG  23  -3.587   6.813  -3.296
  199   2HH1  ARG  23          2HH1      ARG  23  -5.181   6.154  -3.142
  200   1HH2  ARG  23          1HH2      ARG  23  -4.989   4.211  -6.039
  201   2HH2  ARG  23          2HH2      ARG  23  -5.976   4.680  -4.694
  202    H    ASP  24           H        ASP  24   3.696   6.432  -5.829
  203    HA   ASP  24           HA       ASP  24   3.410   4.039  -7.282
  204   1HB   ASP  24          2HB       ASP  24   5.684   5.910  -6.745
  205   2HB   ASP  24          1HB       ASP  24   6.021   4.351  -7.492
  206    H    PHE  25           H        PHE  25   4.883   4.757  -4.186
  207    HA   PHE  25           HA       PHE  25   6.112   2.190  -3.886
  208   1HB   PHE  25          2HB       PHE  25   6.656   4.463  -2.685
  209   2HB   PHE  25          1HB       PHE  25   5.403   3.949  -1.561
  210    HD1  PHE  25           1HD      PHE  25   8.321   2.377  -3.285
  211    HD2  PHE  25           2HD      PHE  25   6.178   2.959   0.347
  212    HE1  PHE  25           1HE      PHE  25   9.965   0.986  -2.096
  213    HE2  PHE  25           2HE      PHE  25   7.820   1.570   1.542
  214    HZ   PHE  25           HZ       PHE  25   9.717   0.581   0.321
  215    H    ILE  26           H        ILE  26   3.165   3.765  -2.755
  216    HA   ILE  26           HA       ILE  26   2.177   1.675  -1.166
  217    HB   ILE  26           HB       ILE  26   0.706   3.823  -2.703
  218   1HG1  ILE  26          2HG1      ILE  26   1.565   3.605   0.191
  219   2HG1  ILE  26          1HG1      ILE  26   2.226   4.699  -1.019
  220   1HG2  ILE  26          1HG2      ILE  26  -1.189   2.738  -2.225
  221   2HG2  ILE  26          2HG2      ILE  26  -0.865   3.054  -0.520
  222   3HG2  ILE  26          3HG2      ILE  26  -0.331   1.542  -1.255
  223   1HD1  ILE  26          1HD1      ILE  26  -0.037   5.751  -1.172
  224   2HD1  ILE  26          2HD1      ILE  26   0.777   5.951   0.379
  225   3HD1  ILE  26          3HD1      ILE  26  -0.516   4.764   0.208
  226    H    GLU  27           H        GLU  27   1.671   2.441  -4.603
  227    HA   GLU  27           HA       GLU  27  -0.043   0.232  -5.087
  228   1HB   GLU  27          2HB       GLU  27   0.573   2.445  -6.500
  229   2HB   GLU  27          1HB       GLU  27   1.608   1.283  -7.317
  230   1HG   GLU  27          2HG       GLU  27  -0.123   0.198  -8.265
  231   2HG   GLU  27          1HG       GLU  27  -1.179   0.438  -6.875
  232    H    LEU  28           H        LEU  28   3.406   0.717  -5.150
  233    HA   LEU  28           HA       LEU  28   4.089  -1.692  -6.481
  234   1HB   LEU  28          2HB       LEU  28   5.755  -0.073  -6.527
  235   2HB   LEU  28          1HB       LEU  28   5.524   0.362  -4.848
  236    HG   LEU  28           HG       LEU  28   6.692  -2.312  -5.526
  237   1HD1  LEU  28          1HD1      LEU  28   8.003  -0.791  -6.852
  238   2HD1  LEU  28          2HD1      LEU  28   8.932  -1.259  -5.429
  239   3HD1  LEU  28          3HD1      LEU  28   8.154   0.323  -5.493
  240   1HD2  LEU  28          1HD2      LEU  28   7.989  -1.578  -3.386
  241   2HD2  LEU  28          2HD2      LEU  28   6.328  -2.153  -3.248
  242   3HD2  LEU  28          3HD2      LEU  28   6.668  -0.424  -3.211
  243    H    ILE  29           H        ILE  29   3.880  -0.779  -3.057
  244    HA   ILE  29           HA       ILE  29   4.640  -3.344  -2.084
  245    HB   ILE  29           HB       ILE  29   3.030  -1.231  -0.640
  246   1HG1  ILE  29          2HG1      ILE  29   5.955  -1.548  -0.201
  247   2HG1  ILE  29          1HG1      ILE  29   5.449  -0.746  -1.682
  248   1HG2  ILE  29          1HG2      ILE  29   3.162  -3.607   0.278
  249   2HG2  ILE  29          2HG2      ILE  29   3.626  -2.296   1.360
  250   3HG2  ILE  29          3HG2      ILE  29   4.867  -3.270   0.572
  251   1HD1  ILE  29          1HD1      ILE  29   5.782   0.414   0.802
  252   2HD1  ILE  29          2HD1      ILE  29   4.033   0.272   0.621
  253   3HD1  ILE  29          3HD1      ILE  29   4.978   1.130  -0.596
  254    H    GLU  30           H        GLU  30   1.628  -1.828  -3.001
  255    HA   GLU  30           HA       GLU  30  -0.043  -3.893  -1.906
  256   1HB   GLU  30          2HB       GLU  30  -0.620  -1.400  -2.458
  257   2HB   GLU  30          1HB       GLU  30  -0.932  -2.021  -4.072
  258   1HG   GLU  30          2HG       GLU  30  -2.465  -3.710  -2.939
  259   2HG   GLU  30          1HG       GLU  30  -2.331  -2.687  -1.509
  260    H    ASN  31           H        ASN  31   1.494  -3.206  -4.970
  261    HA   ASN  31           HA       ASN  31   0.031  -5.097  -6.507
  262   1HB   ASN  31          2HB       ASN  31   2.533  -3.508  -6.890
  263   2HB   ASN  31          1HB       ASN  31   2.226  -4.857  -7.976
  264   1HD2  ASN  31          1HD2      ASN  31   1.745  -3.820  -9.812
  265   2HD2  ASN  31          2HD2      ASN  31   0.436  -2.709 -10.002
  266    H    GLU  32           H        GLU  32   2.845  -5.301  -4.460
  267    HA   GLU  32           HA       GLU  32   3.598  -7.921  -5.416
  268   1HB   GLU  32          2HB       GLU  32   5.131  -6.108  -4.342
  269   2HB   GLU  32          1HB       GLU  32   4.524  -6.731  -2.814
  270   1HG   GLU  32          2HG       GLU  32   6.302  -8.085  -2.958
  271   2HG   GLU  32          1HG       GLU  32   5.245  -9.032  -4.005
  272    H    ILE  33           H        ILE  33   2.042  -6.534  -2.573
  273    HA   ILE  33           HA       ILE  33   1.602  -8.949  -1.183
  274    HB   ILE  33           HB       ILE  33   0.081  -6.329  -1.103
  275   1HG1  ILE  33          2HG1      ILE  33   2.079  -7.342   0.908
  276   2HG1  ILE  33          1HG1      ILE  33   2.577  -6.419  -0.505
  277   1HG2  ILE  33          1HG2      ILE  33   0.090  -8.320   1.135
  278   2HG2  ILE  33          2HG2      ILE  33  -1.095  -8.438  -0.163
  279   3HG2  ILE  33          3HG2      ILE  33  -1.023  -6.988   0.833
  280   1HD1  ILE  33          1HD1      ILE  33   2.350  -5.014   1.473
  281   2HD1  ILE  33          2HD1      ILE  33   0.654  -5.477   1.609
  282   3HD1  ILE  33          3HD1      ILE  33   1.206  -4.549   0.215
  283    H    LYS  34           H        LYS  34  -0.105  -7.304  -3.772
  284    HA   LYS  34           HA       LYS  34  -2.501  -8.834  -3.588
  285   1HB   LYS  34          2HB       LYS  34  -1.346  -6.828  -5.413
  286   2HB   LYS  34          1HB       LYS  34  -2.432  -7.974  -6.183
  287   1HG   LYS  34          2HG       LYS  34  -4.196  -7.389  -4.622
  288   2HG   LYS  34          1HG       LYS  34  -3.105  -6.286  -3.782
  289   1HD   LYS  34          2HD       LYS  34  -2.839  -5.207  -6.145
  290   2HD   LYS  34          1HD       LYS  34  -4.369  -6.023  -6.477
  291   1HE   LYS  34          2HE       LYS  34  -5.138  -4.927  -4.253
  292   2HE   LYS  34          1HE       LYS  34  -3.768  -3.848  -4.511
  293   1HZ   LYS  34          1HZ       LYS  34  -5.566  -4.263  -6.768
  294   2HZ   LYS  34          2HZ       LYS  34  -4.758  -2.863  -6.272
  295   3HZ   LYS  34          3HZ       LYS  34  -6.168  -3.350  -5.476
  296    H    ARG  35           H        ARG  35   0.353  -9.007  -5.715
  297    HA   ARG  35           HA       ARG  35  -0.537 -11.351  -7.069
  298   1HB   ARG  35          2HB       ARG  35   1.317  -9.530  -7.664
  299   2HB   ARG  35          1HB       ARG  35   2.367 -10.716  -6.902
  300   1HG   ARG  35          2HG       ARG  35   2.364 -11.119  -9.249
  301   2HG   ARG  35          1HG       ARG  35   1.471 -12.425  -8.469
  302   1HD   ARG  35          2HD       ARG  35  -0.092 -11.995 -10.021
  303   2HD   ARG  35          1HD       ARG  35  -0.519 -10.643  -8.974
  304    HE   ARG  35           HE       ARG  35   0.235  -9.225 -10.589
  305   1HH1  ARG  35          1HH1      ARG  35   1.643 -12.373 -11.178
  306   2HH1  ARG  35          2HH1      ARG  35   2.375 -11.899 -12.672
  307   1HH2  ARG  35          1HH2      ARG  35   1.201  -8.611 -12.554
  308   2HH2  ARG  35          2HH2      ARG  35   2.125  -9.767 -13.454
  309    H    ARG  36           H        ARG  36   1.089 -10.762  -4.075
  310    HA   ARG  36           HA       ARG  36   2.177 -13.418  -3.831
  311   1HB   ARG  36          2HB       ARG  36   2.124 -10.951  -2.158
  312   2HB   ARG  36          1HB       ARG  36   2.462 -12.483  -1.370
  313   1HG   ARG  36          2HG       ARG  36   4.178 -12.693  -3.391
  314   2HG   ARG  36          1HG       ARG  36   4.090 -10.934  -3.292
  315   1HD   ARG  36          2HD       ARG  36   4.981 -10.877  -1.165
  316   2HD   ARG  36          1HD       ARG  36   4.483 -12.528  -0.799
  317    HE   ARG  36           HE       ARG  36   6.349 -12.700  -2.834
  318   1HH1  ARG  36          1HH1      ARG  36   6.276 -11.562   0.474
  319   2HH1  ARG  36          2HH1      ARG  36   7.946 -11.917   0.758
  320   1HH2  ARG  36          1HH2      ARG  36   8.541 -13.164  -2.450
  321   2HH2  ARG  36          2HH2      ARG  36   9.231 -12.822  -0.898
  322    H    SER  37           H        SER  37  -0.942 -12.481  -3.760
  323    HA   SER  37           HA       SER  37  -2.848 -13.345  -2.869
  324   1HB   SER  37          2HB       SER  37  -1.524 -15.503  -3.424
  325   2HB   SER  37          1HB       SER  37  -1.235 -15.598  -1.686
  326    HG   SER  37           HG       SER  37  -3.290 -16.051  -1.351
  327    H    LEU  38           H        LEU  38  -1.279 -11.481  -1.392
  328    HA   LEU  38           HA       LEU  38  -1.948 -12.216   1.387
  329   1HB   LEU  38          2HB       LEU  38   0.488 -11.890   0.757
  330   2HB   LEU  38          1HB       LEU  38   0.107 -10.200   0.509
  331    HG   LEU  38           HG       LEU  38  -0.741 -10.247   2.945
  332   1HD1  LEU  38          1HD1      LEU  38   0.594 -12.886   2.686
  333   2HD1  LEU  38          2HD1      LEU  38  -0.808 -12.415   3.645
  334   3HD1  LEU  38          3HD1      LEU  38   0.815 -11.981   4.182
  335   1HD2  LEU  38          1HD2      LEU  38   2.177 -10.648   2.968
  336   2HD2  LEU  38          2HD2      LEU  38   1.214  -9.280   3.526
  337   3HD2  LEU  38          3HD2      LEU  38   1.575  -9.463   1.810
  338    H    GLY  39           H        GLY  39  -3.156 -10.452  -1.103
  339   1HA   GLY  39          2HA       GLY  39  -3.532  -7.875  -0.130
  340   2HA   GLY  39          1HA       GLY  39  -4.634  -8.693  -1.213
  341    H    HIS  40           H        HIS  40  -4.998 -10.849   0.888
  342    HA   HIS  40           HA       HIS  40  -7.336  -9.830   2.065
  343   1HB   HIS  40          2HB       HIS  40  -6.586 -12.284   1.626
  344   2HB   HIS  40          1HB       HIS  40  -5.861 -12.153   3.221
  345    HD1  HIS  40           1HD      HIS  40  -9.258 -11.783   1.577
  346    HD2  HIS  40           2HD      HIS  40  -7.573 -12.642   5.277
  347    HE1  HIS  40           1HE      HIS  40 -11.186 -12.418   3.062
  348    HE2  HIS  40           2HE      HIS  40 -10.132 -13.018   5.270
  349    H    ILE  41           H        ILE  41  -4.048  -9.509   2.989
  350    HA   ILE  41           HA       ILE  41  -4.602  -9.110   5.795
  351    HB   ILE  41           HB       ILE  41  -2.443 -10.080   4.705
  352   1HG1  ILE  41          2HG1      ILE  41  -1.105  -9.337   6.619
  353   2HG1  ILE  41          1HG1      ILE  41  -2.279  -8.067   6.949
  354   1HG2  ILE  41          1HG2      ILE  41  -0.717  -8.646   4.081
  355   2HG2  ILE  41          2HG2      ILE  41  -1.507  -7.237   4.780
  356   3HG2  ILE  41          3HG2      ILE  41  -2.137  -7.957   3.302
  357   1HD1  ILE  41          1HD1      ILE  41  -3.307 -10.829   6.784
  358   2HD1  ILE  41          2HD1      ILE  41  -3.764  -9.507   7.860
  359   3HD1  ILE  41          3HD1      ILE  41  -2.294 -10.431   8.172
  360    H    ILE  42           H        ILE  42  -3.928  -7.184   2.951
  361    HA   ILE  42           HA       ILE  42  -3.837  -4.675   4.379
  362    HB   ILE  42           HB       ILE  42  -3.853  -3.691   2.035
  363   1HG1  ILE  42          2HG1      ILE  42  -3.340  -6.518   1.175
  364   2HG1  ILE  42          1HG1      ILE  42  -4.935  -5.792   1.079
  365   1HG2  ILE  42          1HG2      ILE  42  -1.695  -5.704   2.603
  366   2HG2  ILE  42          2HG2      ILE  42  -1.800  -4.099   3.329
  367   3HG2  ILE  42          3HG2      ILE  42  -1.563  -4.268   1.589
  368   1HD1  ILE  42          1HD1      ILE  42  -3.878  -5.635  -1.061
  369   2HD1  ILE  42          2HD1      ILE  42  -2.445  -4.896  -0.345
  370   3HD1  ILE  42          3HD1      ILE  42  -3.975  -4.018  -0.363
  371    H    SER  43           H        SER  43  -5.288  -2.898   3.935
  372    HA   SER  43           HA       SER  43  -8.056  -3.796   3.743
  373   1HB   SER  43          2HB       SER  43  -7.141  -2.198   5.564
  374   2HB   SER  43          1HB       SER  43  -7.174  -0.967   4.301
  375    HG   SER  43           HG       SER  43  -9.441  -1.581   4.027
  376    H    VAL  44           H        VAL  44  -7.668  -4.259   1.430
  377    HA   VAL  44           HA       VAL  44  -7.263  -2.075  -0.388
  378    HB   VAL  44           HB       VAL  44  -8.471  -4.642  -1.331
  379   1HG1  VAL  44          1HG1      VAL  44  -6.110  -3.212  -2.476
  380   2HG1  VAL  44          2HG1      VAL  44  -7.744  -2.602  -2.738
  381   3HG1  VAL  44          3HG1      VAL  44  -7.308  -4.221  -3.286
  382   1HG2  VAL  44          1HG2      VAL  44  -5.860  -5.298  -1.440
  383   2HG2  VAL  44          2HG2      VAL  44  -6.947  -5.813  -0.148
  384   3HG2  VAL  44          3HG2      VAL  44  -5.902  -4.413   0.085
  385    H    SER  45           H        SER  45  -8.737  -0.972  -1.601
  386    HA   SER  45           HA       SER  45 -11.448  -0.948  -0.627
  387   1HB   SER  45          2HB       SER  45 -10.507   0.613  -3.017
  388   2HB   SER  45          1HB       SER  45 -11.711   1.055  -1.807
  389    HG   SER  45           HG       SER  45  -9.769   2.193  -1.485
  390    H    SER  46           H        SER  46 -12.338  -2.918  -1.238
  391    HA   SER  46           HA       SER  46 -12.791  -3.236  -4.133
  392   1HB   SER  46          2HB       SER  46 -11.394  -5.056  -3.485
  393   2HB   SER  46          1HB       SER  46 -12.336  -5.350  -2.025
  394    HG   SER  46           HG       SER  46 -12.663  -6.439  -4.403
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  12.155  -3.637  -0.763
    2   2H    MET   1          2HT       MET   1  13.559  -4.213  -1.566
    3   3H    MET   1          3HT       MET   1  12.462  -5.322  -0.850
    4    HA   MET   1           HA       MET   1  10.751  -4.388  -2.387
    5   1HB   MET   1          2HB       MET   1  12.740  -2.575  -2.884
    6   2HB   MET   1          1HB       MET   1  12.922  -3.670  -4.248
    7   1HG   MET   1          2HG       MET   1  10.439  -2.166  -3.457
    8   2HG   MET   1          1HG       MET   1  11.471  -1.853  -4.850
    9   1HE   MET   1          1HE       MET   1   7.799  -3.690  -4.543
   10   2HE   MET   1          2HE       MET   1   8.873  -3.529  -3.154
   11   3HE   MET   1          3HE       MET   1   8.617  -5.111  -3.892
   12    H    ARG   2           H        ARG   2  13.886  -5.925  -2.538
   13    HA   ARG   2           HA       ARG   2  13.159  -7.655  -4.734
   14   1HB   ARG   2          2HB       ARG   2  15.575  -7.293  -3.012
   15   2HB   ARG   2          1HB       ARG   2  15.386  -8.799  -3.900
   16   1HG   ARG   2          2HG       ARG   2  15.394  -7.669  -5.986
   17   2HG   ARG   2          1HG       ARG   2  15.261  -6.094  -5.204
   18   1HD   ARG   2          2HD       ARG   2  17.507  -7.039  -4.037
   19   2HD   ARG   2          1HD       ARG   2  17.613  -7.820  -5.615
   20    HE   ARG   2           HE       ARG   2  18.008  -5.053  -5.036
   21   1HH1  ARG   2          1HH1      ARG   2  16.922  -7.270  -7.516
   22   2HH1  ARG   2          2HH1      ARG   2  17.294  -6.187  -8.814
   23   1HH2  ARG   2          1HH2      ARG   2  18.493  -3.638  -6.749
   24   2HH2  ARG   2          2HH2      ARG   2  18.184  -4.129  -8.381
   25    H    LYS   3           H        LYS   3  13.849  -8.085  -1.264
   26    HA   LYS   3           HA       LYS   3  11.958 -10.300  -1.194
   27   1HB   LYS   3          2HB       LYS   3  14.894 -10.562  -0.827
   28   2HB   LYS   3          1HB       LYS   3  13.868 -11.461   0.284
   29   1HG   LYS   3          2HG       LYS   3  13.130 -11.699  -2.546
   30   2HG   LYS   3          1HG       LYS   3  14.705 -12.372  -2.122
   31   1HD   LYS   3          2HD       LYS   3  13.175 -13.312  -0.089
   32   2HD   LYS   3          1HD       LYS   3  12.000 -13.281  -1.405
   33   1HE   LYS   3          2HE       LYS   3  12.944 -15.405  -1.561
   34   2HE   LYS   3          1HE       LYS   3  13.813 -14.471  -2.779
   35   1HZ   LYS   3          1HZ       LYS   3  14.946 -14.590  -0.085
   36   2HZ   LYS   3          2HZ       LYS   3  15.728 -14.517  -1.583
   37   3HZ   LYS   3          3HZ       LYS   3  15.065 -15.977  -1.047
   38    H    LEU   4           H        LEU   4  10.634  -9.863   0.430
   39    HA   LEU   4           HA       LEU   4  11.715  -9.100   3.024
   40   1HB   LEU   4          2HB       LEU   4   9.386  -7.491   2.121
   41   2HB   LEU   4          1HB       LEU   4  10.645  -7.089   3.268
   42    HG   LEU   4           HG       LEU   4  11.210  -7.223   0.317
   43   1HD1  LEU   4          1HD1      LEU   4  10.903  -4.749   0.322
   44   2HD1  LEU   4          2HD1      LEU   4  10.132  -4.902   1.901
   45   3HD1  LEU   4          3HD1      LEU   4   9.409  -5.670   0.487
   46   1HD2  LEU   4          1HD2      LEU   4  13.226  -6.377   0.833
   47   2HD2  LEU   4          2HD2      LEU   4  12.881  -7.002   2.446
   48   3HD2  LEU   4          3HD2      LEU   4  12.573  -5.306   2.073
   49    H    SER   5           H        SER   5  10.477  -9.778   4.726
   50    HA   SER   5           HA       SER   5   8.611 -11.848   4.283
   51   1HB   SER   5          2HB       SER   5   9.038 -10.255   6.820
   52   2HB   SER   5          1HB       SER   5   8.300 -11.852   6.695
   53    HG   SER   5           HG       SER   5  10.667 -11.617   7.268
   54    H    ASP   6           H        ASP   6   6.358 -11.876   5.091
   55    HA   ASP   6           HA       ASP   6   4.822  -9.863   3.872
   56   1HB   ASP   6          2HB       ASP   6   3.525 -11.363   6.098
   57   2HB   ASP   6          1HB       ASP   6   2.941 -11.017   4.482
   58    H    GLU   7           H        GLU   7   6.217 -10.091   7.033
   59    HA   GLU   7           HA       GLU   7   4.563  -8.079   8.226
   60   1HB   GLU   7          2HB       GLU   7   6.718  -9.832   9.056
   61   2HB   GLU   7          1HB       GLU   7   6.966  -8.203   9.670
   62   1HG   GLU   7          2HG       GLU   7   4.933  -8.225  10.848
   63   2HG   GLU   7          1HG       GLU   7   4.360  -9.654   9.989
   64    H    LEU   8           H        LEU   8   7.634  -8.175   6.561
   65    HA   LEU   8           HA       LEU   8   8.247  -5.410   7.078
   66   1HB   LEU   8          2HB       LEU   8   9.502  -7.615   5.525
   67   2HB   LEU   8          1HB       LEU   8   9.953  -5.961   5.150
   68    HG   LEU   8           HG       LEU   8  11.472  -7.099   6.755
   69   1HD1  LEU   8          1HD1      LEU   8  11.847  -5.198   8.037
   70   2HD1  LEU   8          2HD1      LEU   8  10.131  -4.800   8.113
   71   3HD1  LEU   8          3HD1      LEU   8  11.020  -4.583   6.606
   72   1HD2  LEU   8          1HD2      LEU   8  10.694  -7.314   9.099
   73   2HD2  LEU   8          2HD2      LEU   8   9.907  -8.438   7.991
   74   3HD2  LEU   8          3HD2      LEU   8   9.052  -6.996   8.540
   75    H    LEU   9           H        LEU   9   6.860  -7.309   4.475
   76    HA   LEU   9           HA       LEU   9   6.799  -5.161   2.590
   77   1HB   LEU   9          2HB       LEU   9   6.868  -7.453   1.817
   78   2HB   LEU   9          1HB       LEU   9   5.376  -7.818   2.662
   79    HG   LEU   9           HG       LEU   9   4.266  -6.096   1.137
   80   1HD1  LEU   9          1HD1      LEU   9   6.897  -6.442  -0.287
   81   2HD1  LEU   9          2HD1      LEU   9   6.181  -4.941   0.303
   82   3HD1  LEU   9          3HD1      LEU   9   5.440  -5.800  -1.046
   83   1HD2  LEU   9          1HD2      LEU   9   5.404  -8.665   0.045
   84   2HD2  LEU   9          2HD2      LEU   9   4.134  -7.729  -0.744
   85   3HD2  LEU   9          3HD2      LEU   9   3.850  -8.436   0.847
   86    H    ILE  10           H        ILE  10   4.412  -6.689   4.708
   87    HA   ILE  10           HA       ILE  10   2.285  -5.020   3.870
   88    HB   ILE  10           HB       ILE  10   2.575  -6.687   6.363
   89   1HG1  ILE  10          2HG1      ILE  10   0.858  -7.239   3.958
   90   2HG1  ILE  10          1HG1      ILE  10   2.553  -7.716   3.995
   91   1HG2  ILE  10          1HG2      ILE  10   0.931  -4.969   6.792
   92   2HG2  ILE  10          2HG2      ILE  10   0.105  -6.504   6.524
   93   3HG2  ILE  10          3HG2      ILE  10   0.144  -5.289   5.247
   94   1HD1  ILE  10          1HD1      ILE  10   1.010  -8.512   6.341
   95   2HD1  ILE  10          2HD1      ILE  10   2.162  -9.424   5.366
   96   3HD1  ILE  10          3HD1      ILE  10   0.496  -9.245   4.825
   97    H    GLU  11           H        GLU  11   4.692  -4.807   6.413
   98    HA   GLU  11           HA       GLU  11   3.555  -2.654   7.831
   99   1HB   GLU  11          2HB       GLU  11   6.289  -3.798   7.578
  100   2HB   GLU  11          1HB       GLU  11   6.130  -2.209   8.289
  101   1HG   GLU  11          2HG       GLU  11   4.815  -3.022  10.068
  102   2HG   GLU  11          1HG       GLU  11   4.564  -4.573   9.267
  103    H    SER  12           H        SER  12   5.348  -2.854   4.853
  104    HA   SER  12           HA       SER  12   6.040  -0.089   4.697
  105   1HB   SER  12          2HB       SER  12   5.673  -1.879   2.299
  106   2HB   SER  12          1HB       SER  12   6.812  -0.551   2.519
  107    HG   SER  12           HG       SER  12   8.128  -1.832   3.602
  108    H    TYR  13           H        TYR  13   3.427  -2.083   3.385
  109    HA   TYR  13           HA       TYR  13   2.112   0.002   1.990
  110   1HB   TYR  13          2HB       TYR  13   1.699  -2.413   1.584
  111   2HB   TYR  13          1HB       TYR  13   0.926  -2.527   3.159
  112    HD1  TYR  13           1HD      TYR  13   0.672  -0.744  -0.101
  113    HD2  TYR  13           2HD      TYR  13  -1.363  -2.144   3.363
  114    HE1  TYR  13           1HE      TYR  13  -1.478  -0.109  -1.114
  115    HE2  TYR  13           2HE      TYR  13  -3.518  -1.515   2.359
  116    HH   TYR  13           HH       TYR  13  -4.439  -1.163   0.044
  117    H    PHE  14           H        PHE  14   1.829  -1.303   5.243
  118    HA   PHE  14           HA       PHE  14  -0.396   0.277   6.027
  119   1HB   PHE  14          2HB       PHE  14   1.696  -1.226   7.578
  120   2HB   PHE  14          1HB       PHE  14   0.381  -0.376   8.362
  121    HD1  PHE  14           1HD      PHE  14   0.244  -2.847   9.269
  122    HD2  PHE  14           2HD      PHE  14  -0.831  -1.678   5.316
  123    HE1  PHE  14           1HE      PHE  14  -1.155  -4.860   9.054
  124    HE2  PHE  14           2HE      PHE  14  -2.229  -3.685   5.101
  125    HZ   PHE  14           HZ       PHE  14  -2.393  -5.286   6.965
  126    H    LYS  15           H        LYS  15   3.099   0.596   6.491
  127    HA   LYS  15           HA       LYS  15   3.029   2.968   8.007
  128   1HB   LYS  15          2HB       LYS  15   5.107   1.544   6.399
  129   2HB   LYS  15          1HB       LYS  15   5.430   3.185   6.911
  130   1HG   LYS  15          2HG       LYS  15   6.206   1.132   8.348
  131   2HG   LYS  15          1HG       LYS  15   5.648   2.615   9.108
  132   1HD   LYS  15          2HD       LYS  15   3.678   1.663   9.831
  133   2HD   LYS  15          1HD       LYS  15   3.671   0.448   8.552
  134   1HE   LYS  15          2HE       LYS  15   5.044  -0.966   9.696
  135   2HE   LYS  15          1HE       LYS  15   5.884   0.346  10.523
  136   1HZ   LYS  15          1HZ       LYS  15   4.082   0.599  12.023
  137   2HZ   LYS  15          2HZ       LYS  15   4.444  -1.052  11.972
  138   3HZ   LYS  15          3HZ       LYS  15   3.096  -0.456  11.141
  139    H    ALA  16           H        ALA  16   3.395   2.382   4.534
  140    HA   ALA  16           HA       ALA  16   3.745   5.051   3.757
  141   1HB   ALA  16          1HB       ALA  16   4.321   3.296   2.245
  142   2HB   ALA  16          2HB       ALA  16   3.038   4.252   1.503
  143   3HB   ALA  16          3HB       ALA  16   2.664   2.692   2.233
  144    H    THR  17           H        THR  17   0.820   3.167   4.308
  145    HA   THR  17           HA       THR  17  -0.950   5.070   3.161
  146    HB   THR  17           HB       THR  17  -2.714   3.851   4.431
  147    HG1  THR  17           1HG      THR  17  -2.021   2.936   6.183
  148   1HG2  THR  17          1HG2      THR  17  -2.653   2.625   2.581
  149   2HG2  THR  17          2HG2      THR  17  -1.747   1.456   3.539
  150   3HG2  THR  17          3HG2      THR  17  -0.890   2.621   2.531
  151    H    GLU  18           H        GLU  18   0.491   4.668   6.319
  152    HA   GLU  18           HA       GLU  18  -1.196   6.587   7.614
  153   1HB   GLU  18          2HB       GLU  18   0.949   4.777   8.367
  154   2HB   GLU  18          1HB       GLU  18   1.094   6.333   9.170
  155   1HG   GLU  18          2HG       GLU  18  -1.403   6.011   9.736
  156   2HG   GLU  18          1HG       GLU  18  -1.105   4.319   9.343
  157    H    MET  19           H        MET  19   2.114   6.623   6.364
  158    HA   MET  19           HA       MET  19   2.469   9.399   7.049
  159   1HB   MET  19          2HB       MET  19   4.682   9.145   6.190
  160   2HB   MET  19          1HB       MET  19   4.307   7.720   7.135
  161   1HG   MET  19          2HG       MET  19   3.983   6.418   5.168
  162   2HG   MET  19          1HG       MET  19   4.091   7.844   4.141
  163   1HE   MET  19          1HE       MET  19   7.338   5.032   4.776
  164   2HE   MET  19          2HE       MET  19   5.630   4.899   4.358
  165   3HE   MET  19          3HE       MET  19   6.114   5.054   6.045
  166    H    ASN  20           H        ASN  20   1.182   7.700   4.386
  167    HA   ASN  20           HA       ASN  20   0.255   8.438   2.440
  168   1HB   ASN  20          2HB       ASN  20   1.321  11.204   2.969
  169   2HB   ASN  20          1HB       ASN  20  -0.059  10.740   1.982
  170   1HD2  ASN  20          1HD2      ASN  20   0.921  11.906   4.937
  171   2HD2  ASN  20          2HD2      ASN  20  -0.541  11.659   5.824
  172    H    LEU  21           H        LEU  21   2.813   7.314   2.649
  173    HA   LEU  21           HA       LEU  21   4.875   8.569   1.282
  174   1HB   LEU  21          2HB       LEU  21   4.696   6.253   2.505
  175   2HB   LEU  21          1HB       LEU  21   4.330   5.648   0.903
  176    HG   LEU  21           HG       LEU  21   6.795   7.284   1.334
  177   1HD1  LEU  21          1HD1      LEU  21   6.244   4.650   2.478
  178   2HD1  LEU  21          2HD1      LEU  21   7.493   5.829   2.877
  179   3HD1  LEU  21          3HD1      LEU  21   7.719   4.732   1.515
  180   1HD2  LEU  21          1HD2      LEU  21   7.082   6.772  -0.812
  181   2HD2  LEU  21          2HD2      LEU  21   5.624   5.782  -0.805
  182   3HD2  LEU  21          3HD2      LEU  21   7.178   5.067  -0.377
  183    H    ASN  22           H        ASN  22   5.659   8.168  -0.930
  184    HA   ASN  22           HA       ASN  22   4.051   9.021  -2.931
  185   1HB   ASN  22          2HB       ASN  22   6.578   8.562  -2.952
  186   2HB   ASN  22          1HB       ASN  22   6.153   6.940  -3.491
  187   1HD2  ASN  22          1HD2      ASN  22   7.662   8.139  -5.184
  188   2HD2  ASN  22          2HD2      ASN  22   6.801   8.788  -6.534
  189    H    ARG  23           H        ARG  23   2.528   8.263  -4.272
  190    HA   ARG  23           HA       ARG  23   1.040   6.004  -3.685
  191   1HB   ARG  23          2HB       ARG  23   0.506   8.084  -5.164
  192   2HB   ARG  23          1HB       ARG  23   1.123   7.089  -6.475
  193   1HG   ARG  23          2HG       ARG  23  -1.169   6.725  -6.527
  194   2HG   ARG  23          1HG       ARG  23  -0.544   5.322  -5.660
  195   1HD   ARG  23          2HD       ARG  23  -1.322   6.085  -3.610
  196   2HD   ARG  23          1HD       ARG  23  -1.429   7.755  -4.162
  197    HE   ARG  23           HE       ARG  23  -3.423   5.701  -4.438
  198   1HH1  ARG  23          1HH1      ARG  23  -2.253   8.744  -5.709
  199   2HH1  ARG  23          2HH1      ARG  23  -3.781   9.180  -6.395
  200   1HH2  ARG  23          1HH2      ARG  23  -5.424   6.282  -5.344
  201   2HH2  ARG  23          2HH2      ARG  23  -5.579   7.787  -6.189
  202    H    ASP  24           H        ASP  24   3.883   6.287  -5.668
  203    HA   ASP  24           HA       ASP  24   3.520   3.894  -7.136
  204   1HB   ASP  24          2HB       ASP  24   5.292   5.961  -7.279
  205   2HB   ASP  24          1HB       ASP  24   6.303   4.702  -6.576
  206    H    PHE  25           H        PHE  25   4.964   4.609  -4.017
  207    HA   PHE  25           HA       PHE  25   6.065   1.986  -3.659
  208   1HB   PHE  25          2HB       PHE  25   6.717   4.250  -2.495
  209   2HB   PHE  25          1HB       PHE  25   5.432   3.821  -1.371
  210    HD1  PHE  25           1HD      PHE  25   6.370   3.102   0.600
  211    HD2  PHE  25           2HD      PHE  25   8.050   1.795  -3.085
  212    HE1  PHE  25           1HE      PHE  25   7.933   1.652   1.829
  213    HE2  PHE  25           2HE      PHE  25   9.614   0.342  -1.863
  214    HZ   PHE  25           HZ       PHE  25   9.557   0.269   0.598
  215    H    ILE  26           H        ILE  26   3.181   3.720  -2.610
  216    HA   ILE  26           HA       ILE  26   2.081   1.718  -0.975
  217    HB   ILE  26           HB       ILE  26   0.741   3.903  -2.581
  218   1HG1  ILE  26          2HG1      ILE  26   1.519   3.696   0.336
  219   2HG1  ILE  26          1HG1      ILE  26   2.276   4.723  -0.876
  220   1HG2  ILE  26          1HG2      ILE  26  -0.438   1.707  -1.110
  221   2HG2  ILE  26          2HG2      ILE  26  -1.213   2.921  -2.127
  222   3HG2  ILE  26          3HG2      ILE  26  -0.912   3.262  -0.423
  223   1HD1  ILE  26          1HD1      ILE  26   0.364   6.111  -1.016
  224   2HD1  ILE  26          2HD1      ILE  26   0.702   5.870   0.698
  225   3HD1  ILE  26          3HD1      ILE  26  -0.607   4.978  -0.076
  226    H    GLU  27           H        GLU  27   1.759   2.389  -4.441
  227    HA   GLU  27           HA       GLU  27  -0.060   0.225  -4.892
  228   1HB   GLU  27          2HB       GLU  27   0.603   2.452  -6.308
  229   2HB   GLU  27          1HB       GLU  27   1.517   1.230  -7.176
  230   1HG   GLU  27          2HG       GLU  27  -0.367   0.118  -7.880
  231   2HG   GLU  27          1HG       GLU  27  -1.356   0.742  -6.560
  232    H    LEU  28           H        LEU  28   3.394   0.686  -5.010
  233    HA   LEU  28           HA       LEU  28   4.034  -1.707  -6.383
  234   1HB   LEU  28          2HB       LEU  28   5.720  -0.095  -6.402
  235   2HB   LEU  28          1HB       LEU  28   5.532   0.267  -4.700
  236    HG   LEU  28           HG       LEU  28   6.611  -2.405  -5.509
  237   1HD1  LEU  28          1HD1      LEU  28   8.002   0.232  -5.695
  238   2HD1  LEU  28          2HD1      LEU  28   8.088  -1.161  -6.774
  239   3HD1  LEU  28          3HD1      LEU  28   8.900  -1.205  -5.209
  240   1HD2  LEU  28          1HD2      LEU  28   6.329  -2.338  -3.227
  241   2HD2  LEU  28          2HD2      LEU  28   6.670  -0.610  -3.128
  242   3HD2  LEU  28          3HD2      LEU  28   7.987  -1.756  -3.376
  243    H    ILE  29           H        ILE  29   3.873  -0.861  -2.939
  244    HA   ILE  29           HA       ILE  29   4.616  -3.451  -2.029
  245    HB   ILE  29           HB       ILE  29   3.038  -1.360  -0.522
  246   1HG1  ILE  29          2HG1      ILE  29   5.971  -1.709  -0.143
  247   2HG1  ILE  29          1HG1      ILE  29   5.438  -0.853  -1.586
  248   1HG2  ILE  29          1HG2      ILE  29   3.693  -2.469   1.448
  249   2HG2  ILE  29          2HG2      ILE  29   4.866  -3.466   0.593
  250   3HG2  ILE  29          3HG2      ILE  29   3.141  -3.735   0.355
  251   1HD1  ILE  29          1HD1      ILE  29   5.788   0.179   0.978
  252   2HD1  ILE  29          2HD1      ILE  29   4.044   0.126   0.722
  253   3HD1  ILE  29          3HD1      ILE  29   5.077   0.989  -0.417
  254    H    GLU  30           H        GLU  30   1.603  -1.906  -2.893
  255    HA   GLU  30           HA       GLU  30  -0.070  -3.980  -1.816
  256   1HB   GLU  30          2HB       GLU  30  -0.672  -1.499  -2.303
  257   2HB   GLU  30          1HB       GLU  30  -0.923  -2.048  -3.954
  258   1HG   GLU  30          2HG       GLU  30  -2.344  -3.886  -2.534
  259   2HG   GLU  30          1HG       GLU  30  -2.568  -2.428  -1.570
  260    H    ASN  31           H        ASN  31   1.465  -3.256  -4.871
  261    HA   ASN  31           HA       ASN  31   0.011  -5.140  -6.428
  262   1HB   ASN  31          2HB       ASN  31   2.501  -3.525  -6.796
  263   2HB   ASN  31          1HB       ASN  31   2.197  -4.863  -7.899
  264   1HD2  ASN  31          1HD2      ASN  31   2.248  -1.953  -8.338
  265   2HD2  ASN  31          2HD2      ASN  31   0.718  -1.564  -9.041
  266    H    GLU  32           H        GLU  32   2.796  -5.341  -4.347
  267    HA   GLU  32           HA       GLU  32   3.619  -7.928  -5.332
  268   1HB   GLU  32          2HB       GLU  32   5.092  -6.105  -4.195
  269   2HB   GLU  32          1HB       GLU  32   4.460  -6.762  -2.691
  270   1HG   GLU  32          2HG       GLU  32   5.250  -9.038  -3.696
  271   2HG   GLU  32          1HG       GLU  32   6.281  -8.010  -4.689
  272    H    ILE  33           H        ILE  33   2.028  -6.615  -2.471
  273    HA   ILE  33           HA       ILE  33   1.565  -9.078  -1.169
  274    HB   ILE  33           HB       ILE  33   0.034  -6.471  -0.986
  275   1HG1  ILE  33          2HG1      ILE  33   2.100  -7.480   0.953
  276   2HG1  ILE  33          1HG1      ILE  33   2.556  -6.537  -0.461
  277   1HG2  ILE  33          1HG2      ILE  33  -0.996  -7.220   0.964
  278   2HG2  ILE  33          2HG2      ILE  33   0.160  -8.532   1.188
  279   3HG2  ILE  33          3HG2      ILE  33  -1.060  -8.638  -0.080
  280   1HD1  ILE  33          1HD1      ILE  33   0.652  -5.635   1.687
  281   2HD1  ILE  33          2HD1      ILE  33   1.201  -4.686   0.306
  282   3HD1  ILE  33          3HD1      ILE  33   2.348  -5.168   1.556
  283    H    LYS  34           H        LYS  34  -0.116  -7.305  -3.685
  284    HA   LYS  34           HA       LYS  34  -2.534  -8.805  -3.581
  285   1HB   LYS  34          2HB       LYS  34  -1.299  -6.840  -5.441
  286   2HB   LYS  34          1HB       LYS  34  -2.562  -7.878  -6.089
  287   1HG   LYS  34          2HG       LYS  34  -2.969  -6.342  -3.553
  288   2HG   LYS  34          1HG       LYS  34  -3.229  -5.599  -5.130
  289   1HD   LYS  34          2HD       LYS  34  -4.893  -7.250  -5.688
  290   2HD   LYS  34          1HD       LYS  34  -4.560  -8.139  -4.200
  291   1HE   LYS  34          2HE       LYS  34  -5.144  -5.837  -3.080
  292   2HE   LYS  34          1HE       LYS  34  -6.000  -5.560  -4.595
  293   1HZ   LYS  34          1HZ       LYS  34  -7.374  -6.560  -2.802
  294   2HZ   LYS  34          2HZ       LYS  34  -6.413  -7.950  -2.886
  295   3HZ   LYS  34          3HZ       LYS  34  -7.333  -7.477  -4.224
  296    H    ARG  35           H        ARG  35   0.367  -8.944  -5.623
  297    HA   ARG  35           HA       ARG  35  -0.497 -11.209  -7.115
  298   1HB   ARG  35          2HB       ARG  35   1.385  -9.426  -7.594
  299   2HB   ARG  35          1HB       ARG  35   2.402 -10.577  -6.738
  300   1HG   ARG  35          2HG       ARG  35   2.421 -12.026  -8.444
  301   2HG   ARG  35          1HG       ARG  35   0.714 -11.771  -8.811
  302   1HD   ARG  35          2HD       ARG  35   1.142  -9.975 -10.198
  303   2HD   ARG  35          1HD       ARG  35   2.692  -9.622  -9.433
  304    HE   ARG  35           HE       ARG  35   3.680 -10.996 -10.953
  305   1HH1  ARG  35          1HH1      ARG  35   0.299 -11.874 -10.762
  306   2HH1  ARG  35          2HH1      ARG  35   0.406 -13.036 -12.041
  307   1HH2  ARG  35          1HH2      ARG  35   3.810 -12.524 -12.631
  308   2HH2  ARG  35          2HH2      ARG  35   2.395 -13.406 -13.100
  309    H    ARG  36           H        ARG  36   0.973 -10.781  -4.014
  310    HA   ARG  36           HA       ARG  36   1.977 -13.478  -3.818
  311   1HB   ARG  36          2HB       ARG  36   1.902 -11.076  -2.045
  312   2HB   ARG  36          1HB       ARG  36   2.165 -12.650  -1.313
  313   1HG   ARG  36          2HG       ARG  36   3.928 -12.672  -3.414
  314   2HG   ARG  36          1HG       ARG  36   3.967 -10.988  -2.889
  315   1HD   ARG  36          2HD       ARG  36   5.561 -11.849  -1.504
  316   2HD   ARG  36          1HD       ARG  36   4.134 -12.112  -0.501
  317    HE   ARG  36           HE       ARG  36   4.558 -14.361  -2.138
  318   1HH1  ARG  36          1HH1      ARG  36   5.956 -12.754   0.638
  319   2HH1  ARG  36          2HH1      ARG  36   6.626 -14.210   1.292
  320   1HH2  ARG  36          1HH2      ARG  36   5.441 -16.268  -1.271
  321   2HH2  ARG  36          2HH2      ARG  36   6.335 -16.201   0.211
  322    H    SER  37           H        SER  37  -1.106 -12.452  -3.893
  323    HA   SER  37           HA       SER  37  -3.087 -13.270  -3.143
  324   1HB   SER  37          2HB       SER  37  -1.769 -15.451  -3.691
  325   2HB   SER  37          1HB       SER  37  -1.654 -15.624  -1.940
  326    HG   SER  37           HG       SER  37  -3.621 -16.413  -3.378
  327    H    LEU  38           H        LEU  38  -1.555 -11.515  -1.488
  328    HA   LEU  38           HA       LEU  38  -2.504 -12.335   1.183
  329   1HB   LEU  38          2HB       LEU  38   0.048 -12.161   0.662
  330   2HB   LEU  38          1HB       LEU  38  -0.231 -10.437   0.800
  331    HG   LEU  38           HG       LEU  38  -1.224 -10.921   3.092
  332   1HD1  LEU  38          1HD1      LEU  38  -0.592 -12.991   4.157
  333   2HD1  LEU  38          2HD1      LEU  38   0.210 -13.540   2.685
  334   3HD1  LEU  38          3HD1      LEU  38  -1.541 -13.339   2.713
  335   1HD2  LEU  38          1HD2      LEU  38   0.963  -9.909   2.798
  336   2HD2  LEU  38          2HD2      LEU  38   1.690 -11.503   2.589
  337   3HD2  LEU  38          3HD2      LEU  38   0.987 -11.052   4.142
  338    H    GLY  39           H        GLY  39  -3.570 -10.514  -1.163
  339   1HA   GLY  39          2HA       GLY  39  -3.614  -7.869  -0.252
  340   2HA   GLY  39          1HA       GLY  39  -4.838  -8.587  -1.276
  341    H    HIS  40           H        HIS  40  -5.367 -10.665   0.849
  342    HA   HIS  40           HA       HIS  40  -7.518  -9.384   2.121
  343   1HB   HIS  40          2HB       HIS  40  -7.655 -11.430   3.511
  344   2HB   HIS  40          1HB       HIS  40  -7.491 -11.795   1.796
  345    HD1  HIS  40           1HD      HIS  40  -5.661 -13.362   1.173
  346    HD2  HIS  40           2HD      HIS  40  -5.123 -11.750   4.965
  347    HE1  HIS  40           1HE      HIS  40  -3.674 -14.563   2.138
  348    HE2  HIS  40           2HE      HIS  40  -3.324 -13.523   4.407
  349    H    ILE  41           H        ILE  41  -4.161  -9.617   2.938
  350    HA   ILE  41           HA       ILE  41  -4.437  -9.037   5.719
  351    HB   ILE  41           HB       ILE  41  -2.470 -10.172   4.472
  352   1HG1  ILE  41          2HG1      ILE  41  -0.890  -9.488   6.216
  353   2HG1  ILE  41          1HG1      ILE  41  -1.917  -8.112   6.609
  354   1HG2  ILE  41          1HG2      ILE  41  -1.103  -7.559   4.418
  355   2HG2  ILE  41          2HG2      ILE  41  -2.227  -7.895   3.101
  356   3HG2  ILE  41          3HG2      ILE  41  -0.876  -8.986   3.405
  357   1HD1  ILE  41          1HD1      ILE  41  -3.546  -9.449   7.560
  358   2HD1  ILE  41          2HD1      ILE  41  -2.050 -10.248   8.042
  359   3HD1  ILE  41          3HD1      ILE  41  -3.002 -10.891   6.704
  360    H    ILE  42           H        ILE  42  -4.103  -7.167   2.799
  361    HA   ILE  42           HA       ILE  42  -3.732  -4.668   4.259
  362    HB   ILE  42           HB       ILE  42  -3.722  -3.659   1.927
  363   1HG1  ILE  42          2HG1      ILE  42  -3.418  -6.525   1.078
  364   2HG1  ILE  42          1HG1      ILE  42  -4.902  -5.608   0.894
  365   1HG2  ILE  42          1HG2      ILE  42  -1.605  -5.744   2.164
  366   2HG2  ILE  42          2HG2      ILE  42  -1.707  -4.421   3.328
  367   3HG2  ILE  42          3HG2      ILE  42  -1.475  -4.074   1.614
  368   1HD1  ILE  42          1HD1      ILE  42  -3.848  -5.506  -1.191
  369   2HD1  ILE  42          2HD1      ILE  42  -2.271  -5.189  -0.468
  370   3HD1  ILE  42          3HD1      ILE  42  -3.521  -3.945  -0.438
  371    H    SER  43           H        SER  43  -5.133  -2.863   3.971
  372    HA   SER  43           HA       SER  43  -7.925  -3.642   3.729
  373   1HB   SER  43          2HB       SER  43  -7.370  -2.247   5.633
  374   2HB   SER  43          1HB       SER  43  -6.614  -1.048   4.585
  375    HG   SER  43           HG       SER  43  -9.297  -1.528   5.099
  376    H    VAL  44           H        VAL  44  -7.635  -4.065   1.417
  377    HA   VAL  44           HA       VAL  44  -7.097  -1.896  -0.374
  378    HB   VAL  44           HB       VAL  44  -8.546  -4.328  -1.333
  379   1HG1  VAL  44          1HG1      VAL  44  -6.308  -2.613  -2.376
  380   2HG1  VAL  44          2HG1      VAL  44  -7.966  -2.705  -2.972
  381   3HG1  VAL  44          3HG1      VAL  44  -6.876  -4.077  -3.177
  382   1HG2  VAL  44          1HG2      VAL  44  -7.018  -5.418   0.103
  383   2HG2  VAL  44          2HG2      VAL  44  -5.716  -4.310  -0.328
  384   3HG2  VAL  44          3HG2      VAL  44  -6.301  -5.483  -1.506
  385    H    SER  45           H        SER  45  -8.597  -1.047  -1.952
  386    HA   SER  45           HA       SER  45 -11.366  -0.965  -0.941
  387   1HB   SER  45          2HB       SER  45  -9.528   1.176  -1.865
  388   2HB   SER  45          1HB       SER  45 -11.218   1.323  -2.349
  389    HG   SER  45           HG       SER  45 -11.735   1.056  -0.087
  390    H    SER  46           H        SER  46 -12.151  -2.606  -2.250
  391    HA   SER  46           HA       SER  46 -12.067  -2.087  -5.150
  392   1HB   SER  46          2HB       SER  46 -12.851  -4.761  -4.072
  393   2HB   SER  46          1HB       SER  46 -12.026  -4.355  -5.577
  394    HG   SER  46           HG       SER  46 -10.170  -4.477  -4.587
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  12.915  -4.932  -2.841
    2   2H    MET   1          2HT       MET   1  12.159  -5.672  -1.489
    3   3H    MET   1          3HT       MET   1  11.814  -4.037  -1.881
    4    HA   MET   1           HA       MET   1  10.007  -5.206  -2.622
    5   1HB   MET   1          2HB       MET   1  10.717  -3.598  -4.227
    6   2HB   MET   1          1HB       MET   1  12.010  -4.634  -4.803
    7   1HG   MET   1          2HG       MET   1   9.987  -4.363  -6.302
    8   2HG   MET   1          1HG       MET   1  10.544  -6.004  -5.998
    9   1HE   MET   1          1HE       MET   1   8.743  -3.436  -4.030
   10   2HE   MET   1          2HE       MET   1   8.135  -4.596  -2.849
   11   3HE   MET   1          3HE       MET   1   7.043  -3.900  -4.045
   12    H    ARG   2           H        ARG   2  13.003  -6.804  -3.631
   13    HA   ARG   2           HA       ARG   2  11.601  -9.174  -4.503
   14   1HB   ARG   2          2HB       ARG   2  13.941  -8.071  -5.262
   15   2HB   ARG   2          1HB       ARG   2  14.533  -9.263  -4.112
   16   1HG   ARG   2          2HG       ARG   2  14.196 -10.938  -5.532
   17   2HG   ARG   2          1HG       ARG   2  12.558 -10.397  -5.898
   18   1HD   ARG   2          2HD       ARG   2  14.000 -10.430  -7.890
   19   2HD   ARG   2          1HD       ARG   2  13.409  -8.812  -7.519
   20    HE   ARG   2           HE       ARG   2  16.000  -9.406  -6.411
   21   1HH1  ARG   2          1HH1      ARG   2  14.282  -8.176  -9.200
   22   2HH1  ARG   2          2HH1      ARG   2  15.637  -7.271  -9.784
   23   1HH2  ARG   2          1HH2      ARG   2  17.773  -8.214  -7.186
   24   2HH2  ARG   2          2HH2      ARG   2  17.615  -7.292  -8.644
   25    H    LYS   3           H        LYS   3  13.926  -8.418  -1.900
   26    HA   LYS   3           HA       LYS   3  13.141 -10.925  -0.583
   27   1HB   LYS   3          2HB       LYS   3  15.649  -9.450  -0.819
   28   2HB   LYS   3          1HB       LYS   3  15.295  -9.919   0.838
   29   1HG   LYS   3          2HG       LYS   3  15.088 -12.238   0.164
   30   2HG   LYS   3          1HG       LYS   3  15.369 -11.791  -1.520
   31   1HD   LYS   3          2HD       LYS   3  17.592 -11.627  -1.230
   32   2HD   LYS   3          1HD       LYS   3  17.425 -10.834   0.339
   33   1HE   LYS   3          2HE       LYS   3  17.518 -12.785   1.487
   34   2HE   LYS   3          1HE       LYS   3  16.684 -13.691   0.225
   35   1HZ   LYS   3          1HZ       LYS   3  18.768 -13.564  -1.089
   36   2HZ   LYS   3          2HZ       LYS   3  18.922 -14.452   0.343
   37   3HZ   LYS   3          3HZ       LYS   3  19.538 -12.880   0.253
   38    H    LEU   4           H        LEU   4  11.225 -10.217   0.385
   39    HA   LEU   4           HA       LEU   4  11.626  -8.736   2.849
   40   1HB   LEU   4          2HB       LEU   4   9.270  -7.850   1.267
   41   2HB   LEU   4          1HB       LEU   4  10.186  -6.989   2.484
   42    HG   LEU   4           HG       LEU   4  11.369  -7.532  -0.221
   43   1HD1  LEU   4          1HD1      LEU   4   9.621  -6.375  -1.055
   44   2HD1  LEU   4          2HD1      LEU   4  10.546  -4.994  -0.464
   45   3HD1  LEU   4          3HD1      LEU   4   9.219  -5.644   0.498
   46   1HD2  LEU   4          1HD2      LEU   4  11.870  -5.054   1.298
   47   2HD2  LEU   4          2HD2      LEU   4  12.985  -6.078   0.394
   48   3HD2  LEU   4          3HD2      LEU   4  12.484  -6.541   2.020
   49    H    SER   5           H        SER   5  10.224  -9.319   4.448
   50    HA   SER   5           HA       SER   5   8.590 -11.664   3.945
   51   1HB   SER   5          2HB       SER   5   8.211 -11.384   6.516
   52   2HB   SER   5          1HB       SER   5   9.787 -11.919   5.932
   53    HG   SER   5           HG       SER   5  10.634 -10.156   6.691
   54    H    ASP   6           H        ASP   6   6.361 -11.779   4.828
   55    HA   ASP   6           HA       ASP   6   4.757  -9.727   3.776
   56   1HB   ASP   6          2HB       ASP   6   3.573 -11.369   5.968
   57   2HB   ASP   6          1HB       ASP   6   2.908 -10.931   4.405
   58    H    GLU   7           H        GLU   7   6.263 -10.098   6.874
   59    HA   GLU   7           HA       GLU   7   4.625  -8.164   8.216
   60   1HB   GLU   7          2HB       GLU   7   6.870  -9.899   8.885
   61   2HB   GLU   7          1HB       GLU   7   7.028  -8.308   9.616
   62   1HG   GLU   7          2HG       GLU   7   5.235  -8.599  10.975
   63   2HG   GLU   7          1HG       GLU   7   4.401  -9.657   9.838
   64    H    LEU   8           H        LEU   8   7.681  -8.148   6.506
   65    HA   LEU   8           HA       LEU   8   8.236  -5.383   7.112
   66   1HB   LEU   8          2HB       LEU   8   9.545  -7.514   5.497
   67   2HB   LEU   8          1HB       LEU   8   9.965  -5.840   5.184
   68    HG   LEU   8           HG       LEU   8  11.507  -6.973   6.752
   69   1HD1  LEU   8          1HD1      LEU   8  10.715  -4.442   6.779
   70   2HD1  LEU   8          2HD1      LEU   8  11.878  -5.081   7.941
   71   3HD1  LEU   8          3HD1      LEU   8  10.182  -4.905   8.396
   72   1HD2  LEU   8          1HD2      LEU   8   9.550  -6.805   8.951
   73   2HD2  LEU   8          2HD2      LEU   8  10.875  -7.940   8.693
   74   3HD2  LEU   8          3HD2      LEU   8   9.355  -8.147   7.823
   75    H    LEU   9           H        LEU   9   6.863  -7.245   4.490
   76    HA   LEU   9           HA       LEU   9   6.779  -5.081   2.623
   77   1HB   LEU   9          2HB       LEU   9   6.862  -7.358   1.821
   78   2HB   LEU   9          1HB       LEU   9   5.389  -7.755   2.684
   79    HG   LEU   9           HG       LEU   9   4.254  -5.998   1.187
   80   1HD1  LEU   9          1HD1      LEU   9   6.390  -6.572  -0.789
   81   2HD1  LEU   9          2HD1      LEU   9   6.694  -5.316   0.411
   82   3HD1  LEU   9          3HD1      LEU   9   5.302  -5.191  -0.663
   83   1HD2  LEU   9          1HD2      LEU   9   4.098  -7.668  -0.696
   84   2HD2  LEU   9          2HD2      LEU   9   3.731  -8.295   0.911
   85   3HD2  LEU   9          3HD2      LEU   9   5.295  -8.633   0.169
   86    H    ILE  10           H        ILE  10   4.435  -6.610   4.786
   87    HA   ILE  10           HA       ILE  10   2.291  -4.943   3.952
   88    HB   ILE  10           HB       ILE  10   2.590  -6.653   6.418
   89   1HG1  ILE  10          2HG1      ILE  10   0.841  -7.155   4.023
   90   2HG1  ILE  10          1HG1      ILE  10   2.536  -7.637   4.027
   91   1HG2  ILE  10          1HG2      ILE  10   0.202  -6.419   6.745
   92   2HG2  ILE  10          2HG2      ILE  10   0.082  -5.372   5.331
   93   3HG2  ILE  10          3HG2      ILE  10   0.954  -4.824   6.762
   94   1HD1  ILE  10          1HD1      ILE  10   2.156  -9.373   5.366
   95   2HD1  ILE  10          2HD1      ILE  10   0.484  -9.172   4.863
   96   3HD1  ILE  10          3HD1      ILE  10   1.032  -8.476   6.382
   97    H    GLU  11           H        GLU  11   4.724  -4.763   6.454
   98    HA   GLU  11           HA       GLU  11   3.593  -2.644   7.932
   99   1HB   GLU  11          2HB       GLU  11   6.294  -3.848   7.664
  100   2HB   GLU  11          1HB       GLU  11   6.200  -2.244   8.367
  101   1HG   GLU  11          2HG       GLU  11   4.564  -4.551   9.371
  102   2HG   GLU  11          1HG       GLU  11   6.180  -4.190   9.974
  103    H    SER  12           H        SER  12   5.370  -2.777   4.938
  104    HA   SER  12           HA       SER  12   6.010   0.022   4.892
  105   1HB   SER  12          2HB       SER  12   6.791  -0.350   2.643
  106   2HB   SER  12          1HB       SER  12   7.288  -1.734   3.614
  107    HG   SER  12           HG       SER  12   6.417  -2.560   1.775
  108    H    TYR  13           H        TYR  13   3.499  -2.039   3.486
  109    HA   TYR  13           HA       TYR  13   2.185   0.028   2.048
  110   1HB   TYR  13          2HB       TYR  13   1.828  -2.402   1.620
  111   2HB   TYR  13          1HB       TYR  13   0.993  -2.524   3.161
  112    HD1  TYR  13           1HD      TYR  13   0.859  -0.714  -0.095
  113    HD2  TYR  13           2HD      TYR  13  -1.307  -2.187   3.258
  114    HE1  TYR  13           1HE      TYR  13  -1.251  -0.099  -1.196
  115    HE2  TYR  13           2HE      TYR  13  -3.425  -1.577   2.165
  116    HH   TYR  13           HH       TYR  13  -4.305  -1.141  -0.032
  117    H    PHE  14           H        PHE  14   1.894  -1.293   5.286
  118    HA   PHE  14           HA       PHE  14  -0.397   0.228   6.026
  119   1HB   PHE  14          2HB       PHE  14   1.664  -1.304   7.585
  120   2HB   PHE  14          1HB       PHE  14   0.358  -0.446   8.377
  121    HD1  PHE  14           1HD      PHE  14  -0.568  -1.874   5.201
  122    HD2  PHE  14           2HD      PHE  14  -0.110  -2.733   9.348
  123    HE1  PHE  14           1HE      PHE  14  -1.998  -3.855   4.945
  124    HE2  PHE  14           2HE      PHE  14  -1.543  -4.717   9.094
  125    HZ   PHE  14           HZ       PHE  14  -2.487  -5.285   6.889
  126    H    LYS  15           H        LYS  15   3.078   0.551   6.615
  127    HA   LYS  15           HA       LYS  15   2.946   2.922   8.133
  128   1HB   LYS  15          2HB       LYS  15   5.122   1.619   6.514
  129   2HB   LYS  15          1HB       LYS  15   5.381   3.162   7.310
  130   1HG   LYS  15          2HG       LYS  15   4.412   0.755   8.813
  131   2HG   LYS  15          1HG       LYS  15   6.128   1.062   8.537
  132   1HD   LYS  15          2HD       LYS  15   5.986   2.202  10.474
  133   2HD   LYS  15          1HD       LYS  15   5.318   3.480   9.455
  134   1HE   LYS  15          2HE       LYS  15   3.225   3.210  10.263
  135   2HE   LYS  15          1HE       LYS  15   3.395   1.462  10.413
  136   1HZ   LYS  15          1HZ       LYS  15   4.871   1.939  12.373
  137   2HZ   LYS  15          2HZ       LYS  15   3.233   2.305  12.588
  138   3HZ   LYS  15          3HZ       LYS  15   4.344   3.545  12.292
  139    H    ALA  16           H        ALA  16   3.442   2.322   4.684
  140    HA   ALA  16           HA       ALA  16   3.829   4.992   3.914
  141   1HB   ALA  16          1HB       ALA  16   3.125   4.126   1.630
  142   2HB   ALA  16          2HB       ALA  16   2.923   2.558   2.408
  143   3HB   ALA  16          3HB       ALA  16   4.506   3.335   2.389
  144    H    THR  17           H        THR  17   0.890   3.062   4.254
  145    HA   THR  17           HA       THR  17  -0.841   4.939   3.037
  146    HB   THR  17           HB       THR  17  -2.632   3.712   4.345
  147    HG1  THR  17           1HG      THR  17  -2.005   1.921   5.501
  148   1HG2  THR  17          1HG2      THR  17  -1.911   1.393   3.282
  149   2HG2  THR  17          2HG2      THR  17  -0.780   2.443   2.427
  150   3HG2  THR  17          3HG2      THR  17  -2.515   2.736   2.312
  151    H    GLU  18           H        GLU  18   0.439   4.592   6.270
  152    HA   GLU  18           HA       GLU  18  -1.340   6.476   7.474
  153   1HB   GLU  18          2HB       GLU  18   0.887   4.787   8.317
  154   2HB   GLU  18          1HB       GLU  18   0.865   6.346   9.131
  155   1HG   GLU  18          2HG       GLU  18  -1.087   5.912  10.219
  156   2HG   GLU  18          1HG       GLU  18  -1.676   4.825   8.963
  157    H    MET  19           H        MET  19   2.021   6.617   6.374
  158    HA   MET  19           HA       MET  19   2.255   9.411   7.018
  159   1HB   MET  19          2HB       MET  19   4.498   9.219   6.184
  160   2HB   MET  19          1HB       MET  19   4.149   7.826   7.191
  161   1HG   MET  19          2HG       MET  19   3.870   6.436   5.266
  162   2HG   MET  19          1HG       MET  19   4.010   7.821   4.190
  163   1HE   MET  19          1HE       MET  19   5.711   5.051   6.080
  164   2HE   MET  19          2HE       MET  19   7.267   5.077   5.250
  165   3HE   MET  19          3HE       MET  19   5.776   4.917   4.324
  166    H    ASN  20           H        ASN  20   1.065   7.659   4.356
  167    HA   ASN  20           HA       ASN  20   0.179   8.344   2.374
  168   1HB   ASN  20          2HB       ASN  20   1.176  11.136   2.905
  169   2HB   ASN  20          1HB       ASN  20  -0.146  10.639   1.858
  170   1HD2  ASN  20          1HD2      ASN  20  -0.826  12.549   3.443
  171   2HD2  ASN  20          2HD2      ASN  20  -1.746  12.010   4.803
  172    H    LEU  21           H        LEU  21   2.707   7.228   2.613
  173    HA   LEU  21           HA       LEU  21   4.807   8.489   1.302
  174   1HB   LEU  21          2HB       LEU  21   4.586   6.161   2.506
  175   2HB   LEU  21          1HB       LEU  21   4.268   5.574   0.887
  176    HG   LEU  21           HG       LEU  21   6.726   7.192   1.438
  177   1HD1  LEU  21          1HD1      LEU  21   7.319   5.665   2.968
  178   2HD1  LEU  21          2HD1      LEU  21   7.657   4.659   1.561
  179   3HD1  LEU  21          3HD1      LEU  21   6.125   4.490   2.417
  180   1HD2  LEU  21          1HD2      LEU  21   5.615   5.771  -0.792
  181   2HD2  LEU  21          2HD2      LEU  21   7.156   5.044  -0.344
  182   3HD2  LEU  21          3HD2      LEU  21   7.069   6.764  -0.719
  183    H    ASN  22           H        ASN  22   5.622   8.130  -0.901
  184    HA   ASN  22           HA       ASN  22   4.039   8.982  -2.920
  185   1HB   ASN  22          2HB       ASN  22   6.567   8.551  -2.914
  186   2HB   ASN  22          1HB       ASN  22   6.168   6.925  -3.460
  187   1HD2  ASN  22          1HD2      ASN  22   6.700   6.846  -5.525
  188   2HD2  ASN  22          2HD2      ASN  22   6.228   7.986  -6.733
  189    H    ARG  23           H        ARG  23   2.507   8.235  -4.246
  190    HA   ARG  23           HA       ARG  23   1.057   5.941  -3.708
  191   1HB   ARG  23          2HB       ARG  23   0.489   8.043  -5.142
  192   2HB   ARG  23          1HB       ARG  23   1.113   7.081  -6.475
  193   1HG   ARG  23          2HG       ARG  23  -1.068   6.501  -6.623
  194   2HG   ARG  23          1HG       ARG  23  -0.554   5.286  -5.451
  195   1HD   ARG  23          2HD       ARG  23  -2.296   6.071  -4.258
  196   2HD   ARG  23          1HD       ARG  23  -1.155   7.334  -3.799
  197    HE   ARG  23           HE       ARG  23  -2.319   8.249  -6.098
  198   1HH1  ARG  23          1HH1      ARG  23  -3.511   7.218  -2.973
  199   2HH1  ARG  23          2HH1      ARG  23  -4.891   8.263  -3.023
  200   1HH2  ARG  23          1HH2      ARG  23  -4.134   9.616  -6.153
  201   2HH2  ARG  23          2HH2      ARG  23  -5.245   9.622  -4.824
  202    H    ASP  24           H        ASP  24   3.891   6.306  -5.691
  203    HA   ASP  24           HA       ASP  24   3.558   3.925  -7.196
  204   1HB   ASP  24          2HB       ASP  24   5.275   6.030  -7.350
  205   2HB   ASP  24          1HB       ASP  24   6.326   4.805  -6.645
  206    H    PHE  25           H        PHE  25   5.061   4.646  -4.101
  207    HA   PHE  25           HA       PHE  25   6.197   2.035  -3.777
  208   1HB   PHE  25          2HB       PHE  25   6.851   4.302  -2.622
  209   2HB   PHE  25          1HB       PHE  25   5.597   3.858  -1.469
  210    HD1  PHE  25           1HD      PHE  25   8.396   2.108  -3.219
  211    HD2  PHE  25           2HD      PHE  25   6.392   2.904   0.449
  212    HE1  PHE  25           1HE      PHE  25  10.004   0.672  -2.034
  213    HE2  PHE  25           2HE      PHE  25   7.997   1.470   1.642
  214    HZ   PHE  25           HZ       PHE  25   9.808   0.353   0.400
  215    H    ILE  26           H        ILE  26   3.303   3.722  -2.692
  216    HA   ILE  26           HA       ILE  26   2.275   1.704  -1.024
  217    HB   ILE  26           HB       ILE  26   0.874   3.882  -2.585
  218   1HG1  ILE  26          2HG1      ILE  26   1.699   3.658   0.318
  219   2HG1  ILE  26          1HG1      ILE  26   2.441   4.692  -0.896
  220   1HG2  ILE  26          1HG2      ILE  26  -0.238   1.677  -1.036
  221   2HG2  ILE  26          2HG2      ILE  26  -1.037   2.805  -2.130
  222   3HG2  ILE  26          3HG2      ILE  26  -0.764   3.254  -0.448
  223   1HD1  ILE  26          1HD1      ILE  26   0.903   5.852   0.682
  224   2HD1  ILE  26          2HD1      ILE  26  -0.426   4.934  -0.024
  225   3HD1  ILE  26          3HD1      ILE  26   0.495   6.058  -1.021
  226    H    GLU  27           H        GLU  27   1.866   2.377  -4.481
  227    HA   GLU  27           HA       GLU  27   0.060   0.202  -4.903
  228   1HB   GLU  27          2HB       GLU  27   0.676   2.408  -6.347
  229   2HB   GLU  27          1HB       GLU  27   1.644   1.211  -7.191
  230   1HG   GLU  27          2HG       GLU  27  -0.154   0.147  -8.043
  231   2HG   GLU  27          1HG       GLU  27  -1.153   0.467  -6.626
  232    H    LEU  28           H        LEU  28   3.513   0.671  -5.056
  233    HA   LEU  28           HA       LEU  28   4.175  -1.719  -6.409
  234   1HB   LEU  28          2HB       LEU  28   5.886  -0.152  -6.391
  235   2HB   LEU  28          1HB       LEU  28   5.621   0.275  -4.716
  236    HG   LEU  28           HG       LEU  28   6.734  -2.426  -5.359
  237   1HD1  LEU  28          1HD1      LEU  28   8.881  -1.683  -5.712
  238   2HD1  LEU  28          2HD1      LEU  28   8.573  -0.110  -4.976
  239   3HD1  LEU  28          3HD1      LEU  28   7.950  -0.468  -6.588
  240   1HD2  LEU  28          1HD2      LEU  28   6.336  -2.217  -3.093
  241   2HD2  LEU  28          2HD2      LEU  28   6.754  -0.504  -3.071
  242   3HD2  LEU  28          3HD2      LEU  28   8.023  -1.721  -3.214
  243    H    ILE  29           H        ILE  29   3.992  -0.891  -2.958
  244    HA   ILE  29           HA       ILE  29   4.683  -3.490  -2.050
  245    HB   ILE  29           HB       ILE  29   3.079  -1.418  -0.546
  246   1HG1  ILE  29          2HG1      ILE  29   6.004  -1.719  -0.118
  247   2HG1  ILE  29          1HG1      ILE  29   5.499  -0.887  -1.583
  248   1HG2  ILE  29          1HG2      ILE  29   4.916  -3.543   0.529
  249   2HG2  ILE  29          2HG2      ILE  29   3.180  -3.776   0.325
  250   3HG2  ILE  29          3HG2      ILE  29   3.779  -2.535   1.423
  251   1HD1  ILE  29          1HD1      ILE  29   5.705   0.133   1.037
  252   2HD1  ILE  29          2HD1      ILE  29   3.998   0.143   0.596
  253   3HD1  ILE  29          3HD1      ILE  29   5.178   0.965  -0.425
  254    H    GLU  30           H        GLU  30   1.700  -1.919  -2.967
  255    HA   GLU  30           HA       GLU  30  -0.013  -3.969  -1.917
  256   1HB   GLU  30          2HB       GLU  30  -0.568  -1.478  -2.470
  257   2HB   GLU  30          1HB       GLU  30  -0.815  -2.077  -4.105
  258   1HG   GLU  30          2HG       GLU  30  -2.255  -3.853  -2.598
  259   2HG   GLU  30          1HG       GLU  30  -2.493  -2.333  -1.738
  260    H    ASN  31           H        ASN  31   1.582  -3.274  -4.950
  261    HA   ASN  31           HA       ASN  31   0.172  -5.152  -6.537
  262   1HB   ASN  31          2HB       ASN  31   2.715  -3.603  -6.811
  263   2HB   ASN  31          1HB       ASN  31   2.424  -4.940  -7.917
  264   1HD2  ASN  31          1HD2      ASN  31   2.646  -2.229  -8.652
  265   2HD2  ASN  31          2HD2      ASN  31   1.130  -1.729  -9.312
  266    H    GLU  32           H        GLU  32   2.875  -5.391  -4.354
  267    HA   GLU  32           HA       GLU  32   3.662  -8.016  -5.268
  268   1HB   GLU  32          2HB       GLU  32   5.272  -6.386  -4.245
  269   2HB   GLU  32          1HB       GLU  32   4.433  -6.587  -2.713
  270   1HG   GLU  32          2HG       GLU  32   6.312  -7.976  -2.587
  271   2HG   GLU  32          1HG       GLU  32   4.955  -9.054  -2.906
  272    H    ILE  33           H        ILE  33   2.025  -6.613  -2.476
  273    HA   ILE  33           HA       ILE  33   1.450  -9.035  -1.149
  274    HB   ILE  33           HB       ILE  33  -0.020  -6.388  -1.063
  275   1HG1  ILE  33          2HG1      ILE  33   1.945  -7.403   0.972
  276   2HG1  ILE  33          1HG1      ILE  33   2.484  -6.515  -0.449
  277   1HG2  ILE  33          1HG2      ILE  33  -1.157  -7.076   0.836
  278   2HG2  ILE  33          2HG2      ILE  33  -0.019  -8.378   1.170
  279   3HG2  ILE  33          3HG2      ILE  33  -1.176  -8.536  -0.148
  280   1HD1  ILE  33          1HD1      ILE  33   0.522  -5.496   1.591
  281   2HD1  ILE  33          2HD1      ILE  33   1.160  -4.604   0.211
  282   3HD1  ILE  33          3HD1      ILE  33   2.235  -5.086   1.523
  283    H    LYS  34           H        LYS  34  -0.103  -7.266  -3.749
  284    HA   LYS  34           HA       LYS  34  -2.560  -8.712  -3.691
  285   1HB   LYS  34          2HB       LYS  34  -1.231  -6.801  -5.553
  286   2HB   LYS  34          1HB       LYS  34  -2.526  -7.800  -6.196
  287   1HG   LYS  34          2HG       LYS  34  -3.594  -6.860  -3.845
  288   2HG   LYS  34          1HG       LYS  34  -2.645  -5.492  -4.427
  289   1HD   LYS  34          2HD       LYS  34  -3.835  -5.427  -6.479
  290   2HD   LYS  34          1HD       LYS  34  -4.594  -6.989  -6.165
  291   1HE   LYS  34          2HE       LYS  34  -5.610  -5.853  -4.099
  292   2HE   LYS  34          1HE       LYS  34  -5.137  -4.338  -4.866
  293   1HZ   LYS  34          1HZ       LYS  34  -6.762  -6.358  -6.288
  294   2HZ   LYS  34          2HZ       LYS  34  -6.568  -4.718  -6.655
  295   3HZ   LYS  34          3HZ       LYS  34  -7.473  -5.179  -5.302
  296    H    ARG  35           H        ARG  35   0.386  -8.922  -5.664
  297    HA   ARG  35           HA       ARG  35  -0.497 -11.195  -7.144
  298   1HB   ARG  35          2HB       ARG  35   1.457  -9.407  -7.552
  299   2HB   ARG  35          1HB       ARG  35   2.411 -10.680  -6.803
  300   1HG   ARG  35          2HG       ARG  35   2.117 -12.122  -8.548
  301   2HG   ARG  35          1HG       ARG  35   0.569 -11.415  -9.016
  302   1HD   ARG  35          2HD       ARG  35   1.592  -9.610 -10.100
  303   2HD   ARG  35          1HD       ARG  35   3.136  -9.889  -9.296
  304    HE   ARG  35           HE       ARG  35   2.288 -12.051 -10.997
  305   1HH1  ARG  35          1HH1      ARG  35   4.025  -9.016 -10.865
  306   2HH1  ARG  35          2HH1      ARG  35   4.977  -9.365 -12.268
  307   1HH2  ARG  35          1HH2      ARG  35   3.544 -12.498 -12.838
  308   2HH2  ARG  35          2HH2      ARG  35   4.705 -11.337 -13.387
  309    H    ARG  36           H        ARG  36   0.966 -10.736  -4.043
  310    HA   ARG  36           HA       ARG  36   1.954 -13.434  -3.812
  311   1HB   ARG  36          2HB       ARG  36   1.884 -11.012  -2.069
  312   2HB   ARG  36          1HB       ARG  36   2.133 -12.578  -1.315
  313   1HG   ARG  36          2HG       ARG  36   4.077 -12.959  -2.751
  314   2HG   ARG  36          1HG       ARG  36   3.828 -11.378  -3.496
  315   1HD   ARG  36          2HD       ARG  36   4.088 -10.347  -1.247
  316   2HD   ARG  36          1HD       ARG  36   4.490 -11.941  -0.609
  317    HE   ARG  36           HE       ARG  36   6.141 -11.196  -2.821
  318   1HH1  ARG  36          1HH1      ARG  36   5.720 -10.816   0.631
  319   2HH1  ARG  36          2HH1      ARG  36   7.393 -10.477   0.919
  320   1HH2  ARG  36          1HH2      ARG  36   8.337 -10.750  -2.433
  321   2HH2  ARG  36          2HH2      ARG  36   8.877 -10.440  -0.817
  322    H    SER  37           H        SER  37  -1.126 -12.381  -3.898
  323    HA   SER  37           HA       SER  37  -3.113 -13.195  -3.157
  324   1HB   SER  37          2HB       SER  37  -2.203 -15.376  -3.797
  325   2HB   SER  37          1HB       SER  37  -1.401 -15.517  -2.233
  326    HG   SER  37           HG       SER  37  -3.397 -16.649  -2.301
  327    H    LEU  38           H        LEU  38  -1.617 -11.427  -1.506
  328    HA   LEU  38           HA       LEU  38  -2.568 -12.236   1.172
  329   1HB   LEU  38          2HB       LEU  38  -0.008 -12.019   0.633
  330   2HB   LEU  38          1HB       LEU  38  -0.325 -10.303   0.791
  331    HG   LEU  38           HG       LEU  38  -1.303 -10.837   3.079
  332   1HD1  LEU  38          1HD1      LEU  38  -1.672 -13.147   3.008
  333   2HD1  LEU  38          2HD1      LEU  38  -0.266 -12.951   4.052
  334   3HD1  LEU  38          3HD1      LEU  38  -0.057 -13.475   2.381
  335   1HD2  LEU  38          1HD2      LEU  38   0.843  -9.760   2.832
  336   2HD2  LEU  38          2HD2      LEU  38   1.623 -11.312   2.526
  337   3HD2  LEU  38          3HD2      LEU  38   0.938 -10.966   4.114
  338    H    GLY  39           H        GLY  39  -3.871 -10.679  -1.058
  339   1HA   GLY  39          2HA       GLY  39  -3.923  -7.929  -0.327
  340   2HA   GLY  39          1HA       GLY  39  -5.089  -8.752  -1.352
  341    H    HIS  40           H        HIS  40  -5.238 -10.622   1.259
  342    HA   HIS  40           HA       HIS  40  -7.558  -9.236   2.270
  343   1HB   HIS  40          2HB       HIS  40  -8.029 -11.231   3.514
  344   2HB   HIS  40          1HB       HIS  40  -7.478 -11.736   1.922
  345    HD1  HIS  40           1HD      HIS  40  -7.333 -13.220   4.862
  346    HD2  HIS  40           2HD      HIS  40  -4.224 -11.694   2.567
  347    HE1  HIS  40           1HE      HIS  40  -5.275 -14.454   5.610
  348    HE2  HIS  40           2HE      HIS  40  -3.393 -13.447   4.273
  349    H    ILE  41           H        ILE  41  -4.253  -9.797   3.183
  350    HA   ILE  41           HA       ILE  41  -4.421  -9.147   5.919
  351    HB   ILE  41           HB       ILE  41  -2.489 -10.226   4.555
  352   1HG1  ILE  41          2HG1      ILE  41  -0.850  -9.551   6.256
  353   2HG1  ILE  41          1HG1      ILE  41  -1.900  -8.220   6.733
  354   1HG2  ILE  41          1HG2      ILE  41  -1.215  -7.551   4.514
  355   2HG2  ILE  41          2HG2      ILE  41  -2.325  -7.954   3.206
  356   3HG2  ILE  41          3HG2      ILE  41  -0.916  -8.963   3.504
  357   1HD1  ILE  41          1HD1      ILE  41  -2.862 -11.050   6.780
  358   2HD1  ILE  41          2HD1      ILE  41  -3.479  -9.652   7.660
  359   3HD1  ILE  41          3HD1      ILE  41  -1.935 -10.371   8.117
  360    H    ILE  42           H        ILE  42  -4.174  -7.255   3.008
  361    HA   ILE  42           HA       ILE  42  -3.669  -4.758   4.351
  362    HB   ILE  42           HB       ILE  42  -4.142  -3.774   2.053
  363   1HG1  ILE  42          2HG1      ILE  42  -4.069  -6.677   1.222
  364   2HG1  ILE  42          1HG1      ILE  42  -5.488  -5.636   1.175
  365   1HG2  ILE  42          1HG2      ILE  42  -2.000  -4.540   1.127
  366   2HG2  ILE  42          2HG2      ILE  42  -1.947  -5.793   2.369
  367   3HG2  ILE  42          3HG2      ILE  42  -1.904  -4.089   2.829
  368   1HD1  ILE  42          1HD1      ILE  42  -3.082  -5.657  -0.563
  369   2HD1  ILE  42          2HD1      ILE  42  -3.945  -4.140  -0.314
  370   3HD1  ILE  42          3HD1      ILE  42  -4.787  -5.534  -0.992
  371    H    SER  43           H        SER  43  -5.102  -2.941   4.328
  372    HA   SER  43           HA       SER  43  -7.805  -3.677   4.926
  373   1HB   SER  43          2HB       SER  43  -6.696  -1.898   6.198
  374   2HB   SER  43          1HB       SER  43  -6.510  -0.944   4.726
  375    HG   SER  43           HG       SER  43  -8.473  -0.263   4.977
  376    H    VAL  44           H        VAL  44  -7.883  -4.604   2.621
  377    HA   VAL  44           HA       VAL  44  -8.969  -2.553   0.807
  378    HB   VAL  44           HB       VAL  44  -7.595  -5.120   0.002
  379   1HG1  VAL  44          1HG1      VAL  44  -7.555  -4.015  -2.239
  380   2HG1  VAL  44          2HG1      VAL  44  -8.639  -2.787  -1.584
  381   3HG1  VAL  44          3HG1      VAL  44  -9.161  -4.470  -1.669
  382   1HG2  VAL  44          1HG2      VAL  44  -6.584  -2.294   0.121
  383   2HG2  VAL  44          2HG2      VAL  44  -5.802  -3.567  -0.813
  384   3HG2  VAL  44          3HG2      VAL  44  -5.936  -3.712   0.940
  385    H    SER  45           H        SER  45 -10.818  -3.082  -0.375
  386    HA   SER  45           HA       SER  45 -12.293  -5.407   0.665
  387   1HB   SER  45          2HB       SER  45 -14.258  -4.008  -0.447
  388   2HB   SER  45          1HB       SER  45 -13.669  -3.628   1.172
  389    HG   SER  45           HG       SER  45 -13.859  -1.801  -0.288
  390    H    SER  46           H        SER  46 -11.468  -6.928  -0.771
  391    HA   SER  46           HA       SER  46 -12.574  -6.735  -3.478
  392   1HB   SER  46          2HB       SER  46 -10.485  -7.698  -4.420
  393   2HB   SER  46          1HB       SER  46 -10.236  -6.099  -3.716
  394    HG   SER  46           HG       SER  46  -9.589  -7.327  -1.762
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  12.772  -4.658  -0.925
    2   2H    MET   1          2HT       MET   1  11.502  -5.776  -0.639
    3   3H    MET   1          3HT       MET   1  11.282  -4.114  -0.276
    4    HA   MET   1           HA       MET   1  10.172  -4.328  -2.217
    5   1HB   MET   1          2HB       MET   1  13.015  -3.656  -3.014
    6   2HB   MET   1          1HB       MET   1  11.557  -3.182  -3.876
    7   1HG   MET   1          2HG       MET   1  11.919  -2.380  -1.027
    8   2HG   MET   1          1HG       MET   1  12.756  -1.500  -2.304
    9   1HE   MET   1          1HE       MET   1   8.452  -1.152  -1.034
   10   2HE   MET   1          2HE       MET   1   9.842  -1.821  -0.180
   11   3HE   MET   1          3HE       MET   1   8.996  -2.794  -1.384
   12    H    ARG   2           H        ARG   2  13.165  -6.197  -2.305
   13    HA   ARG   2           HA       ARG   2  12.413  -7.566  -4.736
   14   1HB   ARG   2          2HB       ARG   2  14.788  -7.030  -4.128
   15   2HB   ARG   2          1HB       ARG   2  14.671  -8.222  -2.840
   16   1HG   ARG   2          2HG       ARG   2  14.269  -9.977  -4.470
   17   2HG   ARG   2          1HG       ARG   2  14.316  -8.791  -5.776
   18   1HD   ARG   2          2HD       ARG   2  16.602  -8.428  -5.530
   19   2HD   ARG   2          1HD       ARG   2  16.627  -9.085  -3.894
   20    HE   ARG   2           HE       ARG   2  15.876 -11.094  -5.728
   21   1HH1  ARG   2          1HH1      ARG   2  18.679  -9.265  -4.711
   22   2HH1  ARG   2          2HH1      ARG   2  19.799 -10.508  -5.155
   23   1HH2  ARG   2          1HH2      ARG   2  17.354 -12.721  -6.308
   24   2HH2  ARG   2          2HH2      ARG   2  19.050 -12.467  -6.061
   25    H    LYS   3           H        LYS   3  12.880  -8.493  -1.324
   26    HA   LYS   3           HA       LYS   3  10.701 -10.358  -1.470
   27   1HB   LYS   3          2HB       LYS   3  12.644 -11.604  -2.486
   28   2HB   LYS   3          1HB       LYS   3  13.446 -11.492  -0.926
   29   1HG   LYS   3          2HG       LYS   3  12.069 -13.018   0.052
   30   2HG   LYS   3          1HG       LYS   3  10.705 -12.626  -0.998
   31   1HD   LYS   3          2HD       LYS   3  12.020 -13.690  -2.880
   32   2HD   LYS   3          1HD       LYS   3  13.131 -14.288  -1.646
   33   1HE   LYS   3          2HE       LYS   3  10.174 -14.862  -1.809
   34   2HE   LYS   3          1HE       LYS   3  11.473 -15.979  -2.225
   35   1HZ   LYS   3          1HZ       LYS   3  10.612 -16.419  -0.017
   36   2HZ   LYS   3          2HZ       LYS   3  10.965 -14.839   0.471
   37   3HZ   LYS   3          3HZ       LYS   3  12.221 -15.902   0.075
   38    H    LEU   4           H        LEU   4   9.763  -9.474   0.294
   39    HA   LEU   4           HA       LEU   4  11.253  -9.668   2.830
   40   1HB   LEU   4          2HB       LEU   4   9.146  -7.583   2.487
   41   2HB   LEU   4          1HB       LEU   4  10.516  -7.611   3.578
   42    HG   LEU   4           HG       LEU   4  10.618  -7.053   0.610
   43   1HD1  LEU   4          1HD1      LEU   4  10.480  -5.370   3.030
   44   2HD1  LEU   4          2HD1      LEU   4   9.927  -5.050   1.387
   45   3HD1  LEU   4          3HD1      LEU   4  11.635  -4.875   1.793
   46   1HD2  LEU   4          1HD2      LEU   4  12.985  -6.478   2.226
   47   2HD2  LEU   4          2HD2      LEU   4  12.847  -7.246   0.645
   48   3HD2  LEU   4          3HD2      LEU   4  12.609  -8.197   2.110
   49    H    SER   5           H        SER   5  10.085 -10.340   4.629
   50    HA   SER   5           HA       SER   5   7.948 -12.110   4.204
   51   1HB   SER   5          2HB       SER   5   8.957 -10.785   6.725
   52   2HB   SER   5          1HB       SER   5   7.710 -12.031   6.717
   53    HG   SER   5           HG       SER   5   9.235 -13.452   6.561
   54    H    ASP   6           H        ASP   6   5.751 -11.955   5.127
   55    HA   ASP   6           HA       ASP   6   4.350  -9.762   4.135
   56   1HB   ASP   6          2HB       ASP   6   3.231 -11.273   6.480
   57   2HB   ASP   6          1HB       ASP   6   2.404 -10.650   5.065
   58    H    GLU   7           H        GLU   7   5.917 -10.231   7.204
   59    HA   GLU   7           HA       GLU   7   4.633  -8.086   8.559
   60   1HB   GLU   7          2HB       GLU   7   6.775  -9.974   9.101
   61   2HB   GLU   7          1HB       GLU   7   7.164  -8.373   9.712
   62   1HG   GLU   7          2HG       GLU   7   5.183  -8.326  11.045
   63   2HG   GLU   7          1HG       GLU   7   4.596  -9.818  10.312
   64    H    LEU   8           H        LEU   8   7.485  -8.356   6.551
   65    HA   LEU   8           HA       LEU   8   8.280  -5.617   6.988
   66   1HB   LEU   8          2HB       LEU   8   9.303  -7.899   5.379
   67   2HB   LEU   8          1HB       LEU   8   9.798  -6.274   4.941
   68    HG   LEU   8           HG       LEU   8  11.389  -7.456   6.440
   69   1HD1  LEU   8          1HD1      LEU   8  11.019  -4.920   6.293
   70   2HD1  LEU   8          2HD1      LEU   8  11.953  -5.559   7.647
   71   3HD1  LEU   8          3HD1      LEU   8  10.268  -5.090   7.879
   72   1HD2  LEU   8          1HD2      LEU   8   9.777  -8.685   7.793
   73   2HD2  LEU   8          2HD2      LEU   8   9.180  -7.168   8.465
   74   3HD2  LEU   8          3HD2      LEU   8  10.829  -7.695   8.805
   75    H    LEU   9           H        LEU   9   6.635  -7.488   4.504
   76    HA   LEU   9           HA       LEU   9   6.523  -5.341   2.621
   77   1HB   LEU   9          2HB       LEU   9   6.430  -7.807   2.078
   78   2HB   LEU   9          1HB       LEU   9   4.784  -7.799   2.683
   79    HG   LEU   9           HG       LEU   9   4.271  -6.034   0.945
   80   1HD1  LEU   9          1HD1      LEU   9   6.583  -6.929  -0.644
   81   2HD1  LEU   9          2HD1      LEU   9   6.935  -5.805   0.669
   82   3HD1  LEU   9          3HD1      LEU   9   5.779  -5.359  -0.587
   83   1HD2  LEU   9          1HD2      LEU   9   3.630  -8.387   0.698
   84   2HD2  LEU   9          2HD2      LEU   9   5.191  -8.729  -0.047
   85   3HD2  LEU   9          3HD2      LEU   9   4.046  -7.657  -0.852
   86    H    ILE  10           H        ILE  10   4.345  -6.632   5.072
   87    HA   ILE  10           HA       ILE  10   2.175  -4.951   4.278
   88    HB   ILE  10           HB       ILE  10   2.580  -6.549   6.803
   89   1HG1  ILE  10          2HG1      ILE  10   0.681  -7.117   4.539
   90   2HG1  ILE  10          1HG1      ILE  10   2.349  -7.679   4.496
   91   1HG2  ILE  10          1HG2      ILE  10  -0.132  -6.166   6.503
   92   2HG2  ILE  10          2HG2      ILE  10   0.545  -4.592   6.085
   93   3HG2  ILE  10          3HG2      ILE  10   0.913  -5.321   7.647
   94   1HD1  ILE  10          1HD1      ILE  10   2.032  -9.085   6.326
   95   2HD1  ILE  10          2HD1      ILE  10   0.589  -9.289   5.338
   96   3HD1  ILE  10          3HD1      ILE  10   0.533  -8.286   6.788
   97    H    GLU  11           H        GLU  11   4.740  -4.814   6.664
   98    HA   GLU  11           HA       GLU  11   3.817  -2.566   8.082
   99   1HB   GLU  11          2HB       GLU  11   6.443  -3.909   7.716
  100   2HB   GLU  11          1HB       GLU  11   6.450  -2.288   8.376
  101   1HG   GLU  11          2HG       GLU  11   5.187  -2.938  10.256
  102   2HG   GLU  11          1HG       GLU  11   4.765  -4.487   9.527
  103    H    SER  12           H        SER  12   5.439  -2.932   5.017
  104    HA   SER  12           HA       SER  12   6.213  -0.174   4.798
  105   1HB   SER  12          2HB       SER  12   6.802  -0.708   2.500
  106   2HB   SER  12          1HB       SER  12   7.371  -1.999   3.556
  107    HG   SER  12           HG       SER  12   6.205  -2.603   1.549
  108    H    TYR  13           H        TYR  13   3.563  -2.175   3.588
  109    HA   TYR  13           HA       TYR  13   2.278  -0.102   2.129
  110   1HB   TYR  13          2HB       TYR  13   1.875  -2.555   1.791
  111   2HB   TYR  13          1HB       TYR  13   1.017  -2.579   3.326
  112    HD1  TYR  13           1HD      TYR  13   0.995  -0.782   0.051
  113    HD2  TYR  13           2HD      TYR  13  -1.275  -2.278   3.323
  114    HE1  TYR  13           1HE      TYR  13  -1.080  -0.136  -1.100
  115    HE2  TYR  13           2HE      TYR  13  -3.356  -1.637   2.181
  116    HH   TYR  13           HH       TYR  13  -4.118  -1.228  -0.165
  117    H    PHE  14           H        PHE  14   2.057  -1.325   5.414
  118    HA   PHE  14           HA       PHE  14  -0.187   0.283   6.147
  119   1HB   PHE  14          2HB       PHE  14   1.815  -1.326   7.703
  120   2HB   PHE  14          1HB       PHE  14   0.573  -0.385   8.505
  121    HD1  PHE  14           1HD      PHE  14  -0.591  -1.711   5.395
  122    HD2  PHE  14           2HD      PHE  14   0.092  -2.717   9.478
  123    HE1  PHE  14           1HE      PHE  14  -2.139  -3.609   5.184
  124    HE2  PHE  14           2HE      PHE  14  -1.457  -4.618   9.268
  125    HZ   PHE  14           HZ       PHE  14  -2.572  -5.072   7.116
  126    H    LYS  15           H        LYS  15   3.315   0.550   6.511
  127    HA   LYS  15           HA       LYS  15   3.325   2.894   8.086
  128   1HB   LYS  15          2HB       LYS  15   5.349   1.548   6.328
  129   2HB   LYS  15          1HB       LYS  15   5.687   3.132   7.004
  130   1HG   LYS  15          2HG       LYS  15   4.864   0.813   8.720
  131   2HG   LYS  15          1HG       LYS  15   6.547   1.119   8.285
  132   1HD   LYS  15          2HD       LYS  15   6.531   2.342  10.183
  133   2HD   LYS  15          1HD       LYS  15   5.821   3.572   9.136
  134   1HE   LYS  15          2HE       LYS  15   3.783   3.393  10.089
  135   2HE   LYS  15          1HE       LYS  15   3.924   1.650  10.311
  136   1HZ   LYS  15          1HZ       LYS  15   4.876   1.891  12.339
  137   2HZ   LYS  15          2HZ       LYS  15   3.971   3.320  12.331
  138   3HZ   LYS  15          3HZ       LYS  15   5.620   3.363  11.961
  139    H    ALA  16           H        ALA  16   3.668   2.389   4.590
  140    HA   ALA  16           HA       ALA  16   3.929   5.103   3.915
  141   1HB   ALA  16          1HB       ALA  16   3.307   2.613   2.416
  142   2HB   ALA  16          2HB       ALA  16   4.634   3.755   2.209
  143   3HB   ALA  16          3HB       ALA  16   3.020   4.165   1.627
  144    H    THR  17           H        THR  17   1.097   3.060   4.336
  145    HA   THR  17           HA       THR  17  -0.764   4.852   3.183
  146    HB   THR  17           HB       THR  17  -2.426   3.560   4.639
  147    HG1  THR  17           1HG      THR  17  -1.379   2.631   6.233
  148   1HG2  THR  17          1HG2      THR  17  -2.529   2.580   2.632
  149   2HG2  THR  17          2HG2      THR  17  -1.619   1.293   3.426
  150   3HG2  THR  17          3HG2      THR  17  -0.775   2.504   2.461
  151    H    GLU  18           H        GLU  18   0.662   4.575   6.362
  152    HA   GLU  18           HA       GLU  18  -1.133   6.397   7.634
  153   1HB   GLU  18          2HB       GLU  18   1.272   4.876   8.375
  154   2HB   GLU  18          1HB       GLU  18   1.082   6.402   9.227
  155   1HG   GLU  18          2HG       GLU  18  -0.921   5.745  10.211
  156   2HG   GLU  18          1HG       GLU  18  -1.173   4.444   9.049
  157    H    MET  19           H        MET  19   2.190   6.659   6.446
  158    HA   MET  19           HA       MET  19   2.334   9.469   7.020
  159   1HB   MET  19          2HB       MET  19   4.547   9.342   6.078
  160   2HB   MET  19          1HB       MET  19   4.293   7.979   7.151
  161   1HG   MET  19          2HG       MET  19   4.031   6.490   5.325
  162   2HG   MET  19          1HG       MET  19   3.972   7.818   4.169
  163   1HE   MET  19          1HE       MET  19   5.524   5.092   5.089
  164   2HE   MET  19          2HE       MET  19   6.886   5.467   6.143
  165   3HE   MET  19          3HE       MET  19   7.146   5.233   4.415
  166    H    ASN  20           H        ASN  20   1.051   7.667   4.457
  167    HA   ASN  20           HA       ASN  20   0.089   8.282   2.492
  168   1HB   ASN  20          2HB       ASN  20   0.988  11.113   3.039
  169   2HB   ASN  20          1HB       ASN  20  -0.266  10.592   1.924
  170   1HD2  ASN  20          1HD2      ASN  20  -1.722  11.990   2.969
  171   2HD2  ASN  20          2HD2      ASN  20  -2.437  11.567   4.483
  172    H    LEU  21           H        LEU  21   2.602   7.214   2.575
  173    HA   LEU  21           HA       LEU  21   4.637   8.530   1.205
  174   1HB   LEU  21          2HB       LEU  21   4.495   6.197   2.403
  175   2HB   LEU  21          1HB       LEU  21   4.129   5.610   0.795
  176    HG   LEU  21           HG       LEU  21   6.587   7.251   1.300
  177   1HD1  LEU  21          1HD1      LEU  21   6.139   4.973   2.717
  178   2HD1  LEU  21          2HD1      LEU  21   7.729   5.589   2.265
  179   3HD1  LEU  21          3HD1      LEU  21   6.952   4.348   1.283
  180   1HD2  LEU  21          1HD2      LEU  21   5.420   5.878  -0.940
  181   2HD2  LEU  21          2HD2      LEU  21   6.998   5.184  -0.568
  182   3HD2  LEU  21          3HD2      LEU  21   6.847   6.911  -0.885
  183    H    ASN  22           H        ASN  22   5.363   8.233  -1.027
  184    HA   ASN  22           HA       ASN  22   3.659   9.045  -2.969
  185   1HB   ASN  22          2HB       ASN  22   6.200   8.748  -3.075
  186   2HB   ASN  22          1HB       ASN  22   5.870   7.104  -3.613
  187   1HD2  ASN  22          1HD2      ASN  22   6.756   7.418  -5.628
  188   2HD2  ASN  22          2HD2      ASN  22   6.007   8.398  -6.838
  189    H    ARG  23           H        ARG  23   2.201   8.223  -4.360
  190    HA   ARG  23           HA       ARG  23   0.816   5.893  -3.777
  191   1HB   ARG  23          2HB       ARG  23   0.180   7.955  -5.240
  192   2HB   ARG  23          1HB       ARG  23   0.845   7.002  -6.558
  193   1HG   ARG  23          2HG       ARG  23  -1.517   6.668  -6.495
  194   2HG   ARG  23          1HG       ARG  23  -0.730   5.180  -5.970
  195   1HD   ARG  23          2HD       ARG  23  -1.812   5.240  -4.029
  196   2HD   ARG  23          1HD       ARG  23  -1.215   6.866  -3.700
  197    HE   ARG  23           HE       ARG  23  -3.265   7.217  -5.477
  198   1HH1  ARG  23          1HH1      ARG  23  -2.957   5.728  -2.326
  199   2HH1  ARG  23          2HH1      ARG  23  -4.592   6.071  -1.872
  200   1HH2  ARG  23          1HH2      ARG  23  -5.411   7.664  -4.872
  201   2HH2  ARG  23          2HH2      ARG  23  -5.983   7.167  -3.315
  202    H    ASP  24           H        ASP  24   3.558   6.363  -5.906
  203    HA   ASP  24           HA       ASP  24   3.316   3.935  -7.314
  204   1HB   ASP  24          2HB       ASP  24   5.543   5.875  -6.838
  205   2HB   ASP  24          1HB       ASP  24   5.916   4.309  -7.551
  206    H    PHE  25           H        PHE  25   4.813   4.749  -4.248
  207    HA   PHE  25           HA       PHE  25   6.096   2.208  -3.923
  208   1HB   PHE  25          2HB       PHE  25   6.620   4.515  -2.777
  209   2HB   PHE  25          1HB       PHE  25   5.401   3.997  -1.617
  210    HD1  PHE  25           1HD      PHE  25   6.027   2.692   0.181
  211    HD2  PHE  25           2HD      PHE  25   8.526   2.822  -3.261
  212    HE1  PHE  25           1HE      PHE  25   7.724   1.364   1.367
  213    HE2  PHE  25           2HE      PHE  25  10.227   1.493  -2.081
  214    HZ   PHE  25           HZ       PHE  25   9.827   0.761   0.236
  215    H    ILE  26           H        ILE  26   3.154   3.756  -2.743
  216    HA   ILE  26           HA       ILE  26   2.231   1.659  -1.119
  217    HB   ILE  26           HB       ILE  26   0.704   3.804  -2.605
  218   1HG1  ILE  26          2HG1      ILE  26   1.648   3.577   0.261
  219   2HG1  ILE  26          1HG1      ILE  26   2.264   4.683  -0.962
  220   1HG2  ILE  26          1HG2      ILE  26  -0.875   2.074  -2.148
  221   2HG2  ILE  26          2HG2      ILE  26  -1.115   3.325  -0.929
  222   3HG2  ILE  26          3HG2      ILE  26  -0.247   1.846  -0.516
  223   1HD1  ILE  26          1HD1      ILE  26  -0.157   5.573  -1.038
  224   2HD1  ILE  26          2HD1      ILE  26   0.883   6.022   0.314
  225   3HD1  ILE  26          3HD1      ILE  26  -0.330   4.756   0.515
  226    H    GLU  27           H        GLU  27   1.625   2.431  -4.540
  227    HA   GLU  27           HA       GLU  27  -0.080   0.197  -4.972
  228   1HB   GLU  27          2HB       GLU  27   0.470   2.439  -6.394
  229   2HB   GLU  27          1HB       GLU  27   1.438   1.265  -7.275
  230   1HG   GLU  27          2HG       GLU  27  -0.447  -0.029  -7.828
  231   2HG   GLU  27          1HG       GLU  27  -1.462   0.811  -6.657
  232    H    LEU  28           H        LEU  28   3.357   0.745  -5.137
  233    HA   LEU  28           HA       LEU  28   4.054  -1.623  -6.525
  234   1HB   LEU  28          2HB       LEU  28   5.718   0.003  -6.529
  235   2HB   LEU  28          1HB       LEU  28   5.489   0.391  -4.839
  236    HG   LEU  28           HG       LEU  28   6.647  -2.269  -5.572
  237   1HD1  LEU  28          1HD1      LEU  28   7.911   0.385  -5.939
  238   2HD1  LEU  28          2HD1      LEU  28   8.195  -1.136  -6.787
  239   3HD1  LEU  28          3HD1      LEU  28   8.883  -0.878  -5.183
  240   1HD2  LEU  28          1HD2      LEU  28   6.302  -2.132  -3.291
  241   2HD2  LEU  28          2HD2      LEU  28   6.664  -0.407  -3.236
  242   3HD2  LEU  28          3HD2      LEU  28   7.969  -1.575  -3.438
  243    H    ILE  29           H        ILE  29   3.888  -0.797  -3.073
  244    HA   ILE  29           HA       ILE  29   4.652  -3.381  -2.167
  245    HB   ILE  29           HB       ILE  29   3.038  -1.311  -0.667
  246   1HG1  ILE  29          2HG1      ILE  29   5.968  -1.626  -0.255
  247   2HG1  ILE  29          1HG1      ILE  29   5.444  -0.775  -1.702
  248   1HG2  ILE  29          1HG2      ILE  29   3.082  -3.616   0.269
  249   2HG2  ILE  29          2HG2      ILE  29   3.801  -2.398   1.323
  250   3HG2  ILE  29          3HG2      ILE  29   4.836  -3.482   0.392
  251   1HD1  ILE  29          1HD1      ILE  29   4.084   0.115   0.711
  252   2HD1  ILE  29          2HD1      ILE  29   4.885   1.048  -0.551
  253   3HD1  ILE  29          3HD1      ILE  29   5.831   0.342   0.759
  254    H    GLU  30           H        GLU  30   1.630  -1.864  -3.047
  255    HA   GLU  30           HA       GLU  30  -0.038  -3.944  -1.982
  256   1HB   GLU  30          2HB       GLU  30  -0.614  -1.446  -2.531
  257   2HB   GLU  30          1HB       GLU  30  -0.917  -2.066  -4.148
  258   1HG   GLU  30          2HG       GLU  30  -2.434  -3.779  -2.978
  259   2HG   GLU  30          1HG       GLU  30  -2.347  -2.686  -1.597
  260    H    ASN  31           H        ASN  31   1.521  -3.228  -5.026
  261    HA   ASN  31           HA       ASN  31   0.096  -5.083  -6.624
  262   1HB   ASN  31          2HB       ASN  31   2.657  -3.562  -6.887
  263   2HB   ASN  31          1HB       ASN  31   2.349  -4.885  -8.004
  264   1HD2  ASN  31          1HD2      ASN  31   2.625  -2.332  -8.916
  265   2HD2  ASN  31          2HD2      ASN  31   1.105  -1.749  -9.494
  266    H    GLU  32           H        GLU  32   2.932  -5.326  -4.582
  267    HA   GLU  32           HA       GLU  32   3.619  -7.979  -5.458
  268   1HB   GLU  32          2HB       GLU  32   5.217  -6.258  -4.438
  269   2HB   GLU  32          1HB       GLU  32   4.494  -6.661  -2.887
  270   1HG   GLU  32          2HG       GLU  32   5.506  -8.680  -2.779
  271   2HG   GLU  32          1HG       GLU  32   5.463  -8.919  -4.525
  272    H    ILE  33           H        ILE  33   2.063  -6.520  -2.650
  273    HA   ILE  33           HA       ILE  33   1.522  -8.883  -1.222
  274    HB   ILE  33           HB       ILE  33   0.122  -6.196  -1.259
  275   1HG1  ILE  33          2HG1      ILE  33   1.919  -7.360   0.862
  276   2HG1  ILE  33          1HG1      ILE  33   2.533  -6.400  -0.479
  277   1HG2  ILE  33          1HG2      ILE  33  -1.395  -8.003  -0.443
  278   2HG2  ILE  33          2HG2      ILE  33  -1.026  -6.768   0.759
  279   3HG2  ILE  33          3HG2      ILE  33  -0.225  -8.334   0.834
  280   1HD1  ILE  33          1HD1      ILE  33   0.478  -5.443   1.496
  281   2HD1  ILE  33          2HD1      ILE  33   1.276  -4.491   0.244
  282   3HD1  ILE  33          3HD1      ILE  33   2.207  -5.117   1.606
  283    H    LYS  34           H        LYS  34  -0.087  -7.285  -3.899
  284    HA   LYS  34           HA       LYS  34  -2.510  -8.778  -3.750
  285   1HB   LYS  34          2HB       LYS  34  -1.265  -6.829  -5.582
  286   2HB   LYS  34          1HB       LYS  34  -2.357  -7.969  -6.355
  287   1HG   LYS  34          2HG       LYS  34  -4.156  -7.305  -4.898
  288   2HG   LYS  34          1HG       LYS  34  -3.070  -6.252  -3.990
  289   1HD   LYS  34          2HD       LYS  34  -2.685  -5.304  -6.486
  290   2HD   LYS  34          1HD       LYS  34  -4.360  -5.845  -6.612
  291   1HE   LYS  34          2HE       LYS  34  -4.409  -4.563  -4.224
  292   2HE   LYS  34          1HE       LYS  34  -3.198  -3.616  -5.086
  293   1HZ   LYS  34          1HZ       LYS  34  -5.736  -4.258  -6.421
  294   2HZ   LYS  34          2HZ       LYS  34  -4.711  -2.931  -6.646
  295   3HZ   LYS  34          3HZ       LYS  34  -5.699  -3.013  -5.275
  296    H    ARG  35           H        ARG  35   0.393  -9.014  -5.792
  297    HA   ARG  35           HA       ARG  35  -0.468 -11.381  -7.122
  298   1HB   ARG  35          2HB       ARG  35   1.679  -9.543  -7.344
  299   2HB   ARG  35          1HB       ARG  35   2.396 -11.135  -7.142
  300   1HG   ARG  35          2HG       ARG  35   0.178 -11.021  -9.059
  301   2HG   ARG  35          1HG       ARG  35   1.603 -10.081  -9.507
  302   1HD   ARG  35          2HD       ARG  35   2.999 -11.982  -9.446
  303   2HD   ARG  35          1HD       ARG  35   1.781 -12.943  -8.606
  304    HE   ARG  35           HE       ARG  35   0.882 -13.470 -10.632
  305   1HH1  ARG  35          1HH1      ARG  35   2.819 -10.585 -11.034
  306   2HH1  ARG  35          2HH1      ARG  35   2.616 -10.543 -12.752
  307   1HH2  ARG  35          1HH2      ARG  35   0.620 -13.407 -12.889
  308   2HH2  ARG  35          2HH2      ARG  35   1.370 -12.141 -13.804
  309    H    ARG  36           H        ARG  36   1.105 -10.733  -4.106
  310    HA   ARG  36           HA       ARG  36   2.160 -13.395  -3.785
  311   1HB   ARG  36          2HB       ARG  36   2.113 -10.892  -2.165
  312   2HB   ARG  36          1HB       ARG  36   2.419 -12.410  -1.342
  313   1HG   ARG  36          2HG       ARG  36   4.049 -12.316  -3.671
  314   2HG   ARG  36          1HG       ARG  36   4.223 -10.789  -2.806
  315   1HD   ARG  36          2HD       ARG  36   5.547 -11.766  -1.314
  316   2HD   ARG  36          1HD       ARG  36   4.276 -12.918  -0.908
  317    HE   ARG  36           HE       ARG  36   6.601 -13.417  -2.472
  318   1HH1  ARG  36          1HH1      ARG  36   3.245 -14.338  -2.102
  319   2HH1  ARG  36          2HH1      ARG  36   3.475 -15.906  -2.799
  320   1HH2  ARG  36          1HH2      ARG  36   6.892 -15.478  -3.386
  321   2HH2  ARG  36          2HH2      ARG  36   5.541 -16.553  -3.527
  322    H    SER  37           H        SER  37  -0.946 -12.425  -3.791
  323    HA   SER  37           HA       SER  37  -2.875 -13.251  -2.913
  324   1HB   SER  37          2HB       SER  37  -1.803 -15.444  -3.430
  325   2HB   SER  37          1HB       SER  37  -1.126 -15.461  -1.801
  326    HG   SER  37           HG       SER  37  -3.067 -16.639  -1.892
  327    H    LEU  38           H        LEU  38  -1.285 -11.360  -1.455
  328    HA   LEU  38           HA       LEU  38  -2.112 -11.968   1.311
  329   1HB   LEU  38          2HB       LEU  38   0.359 -11.886   0.879
  330   2HB   LEU  38          1HB       LEU  38   0.174 -10.204   0.434
  331    HG   LEU  38           HG       LEU  38  -0.961 -10.180   2.898
  332   1HD1  LEU  38          1HD1      LEU  38   1.125 -12.344   2.905
  333   2HD1  LEU  38          2HD1      LEU  38  -0.550 -12.448   3.449
  334   3HD1  LEU  38          3HD1      LEU  38   0.613 -11.480   4.355
  335   1HD2  LEU  38          1HD2      LEU  38   0.586  -8.543   2.631
  336   2HD2  LEU  38          2HD2      LEU  38   1.736  -9.610   1.827
  337   3HD2  LEU  38          3HD2      LEU  38   1.570  -9.653   3.581
  338    H    GLY  39           H        GLY  39  -3.385 -10.465  -1.115
  339   1HA   GLY  39          2HA       GLY  39  -3.521  -7.733  -0.318
  340   2HA   GLY  39          1HA       GLY  39  -4.577  -8.522  -1.469
  341    H    HIS  40           H        HIS  40  -4.873 -10.476   1.101
  342    HA   HIS  40           HA       HIS  40  -7.357  -9.258   1.910
  343   1HB   HIS  40          2HB       HIS  40  -7.523 -11.305   3.379
  344   2HB   HIS  40          1HB       HIS  40  -7.385 -11.636   1.655
  345    HD1  HIS  40           1HD      HIS  40  -5.839 -13.493   1.182
  346    HD2  HIS  40           2HD      HIS  40  -4.715 -11.393   4.587
  347    HE1  HIS  40           1HE      HIS  40  -3.785 -14.661   2.044
  348    HE2  HIS  40           2HE      HIS  40  -3.173 -13.423   4.152
  349    H    ILE  41           H        ILE  41  -4.119  -9.610   3.139
  350    HA   ILE  41           HA       ILE  41  -4.640  -8.988   5.850
  351    HB   ILE  41           HB       ILE  41  -2.518 -10.007   4.711
  352   1HG1  ILE  41          2HG1      ILE  41  -1.131  -9.342   6.614
  353   2HG1  ILE  41          1HG1      ILE  41  -2.258  -8.039   6.984
  354   1HG2  ILE  41          1HG2      ILE  41  -1.503  -7.195   4.825
  355   2HG2  ILE  41          2HG2      ILE  41  -2.173  -7.869   3.342
  356   3HG2  ILE  41          3HG2      ILE  41  -0.766  -8.614   4.090
  357   1HD1  ILE  41          1HD1      ILE  41  -3.876  -9.493   7.743
  358   2HD1  ILE  41          2HD1      ILE  41  -2.390 -10.277   8.275
  359   3HD1  ILE  41          3HD1      ILE  41  -3.224 -10.855   6.834
  360    H    ILE  42           H        ILE  42  -3.977  -7.103   2.993
  361    HA   ILE  42           HA       ILE  42  -3.787  -4.575   4.374
  362    HB   ILE  42           HB       ILE  42  -3.821  -3.632   2.021
  363   1HG1  ILE  42          2HG1      ILE  42  -3.494  -6.505   1.194
  364   2HG1  ILE  42          1HG1      ILE  42  -5.026  -5.653   1.095
  365   1HG2  ILE  42          1HG2      ILE  42  -1.757  -4.220   3.327
  366   2HG2  ILE  42          2HG2      ILE  42  -1.572  -4.176   1.574
  367   3HG2  ILE  42          3HG2      ILE  42  -1.708  -5.724   2.408
  368   1HD1  ILE  42          1HD1      ILE  42  -3.904  -3.978  -0.373
  369   2HD1  ILE  42          2HD1      ILE  42  -4.000  -5.603  -1.052
  370   3HD1  ILE  42          3HD1      ILE  42  -2.481  -5.020  -0.371
  371    H    SER  43           H        SER  43  -5.200  -2.754   3.842
  372    HA   SER  43           HA       SER  43  -7.999  -3.606   3.722
  373   1HB   SER  43          2HB       SER  43  -7.483  -2.180   5.604
  374   2HB   SER  43          1HB       SER  43  -6.719  -0.989   4.551
  375    HG   SER  43           HG       SER  43  -8.790  -0.297   5.018
  376    H    VAL  44           H        VAL  44  -7.676  -4.059   1.410
  377    HA   VAL  44           HA       VAL  44  -7.216  -1.874  -0.395
  378    HB   VAL  44           HB       VAL  44  -8.490  -4.403  -1.350
  379   1HG1  VAL  44          1HG1      VAL  44  -7.602  -2.296  -2.675
  380   2HG1  VAL  44          2HG1      VAL  44  -7.464  -3.930  -3.324
  381   3HG1  VAL  44          3HG1      VAL  44  -6.075  -3.169  -2.548
  382   1HG2  VAL  44          1HG2      VAL  44  -6.988  -5.613  -0.167
  383   2HG2  VAL  44          2HG2      VAL  44  -5.898  -4.244   0.044
  384   3HG2  VAL  44          3HG2      VAL  44  -5.906  -5.135  -1.478
  385    H    SER  45           H        SER  45  -8.672  -0.749  -1.623
  386    HA   SER  45           HA       SER  45 -11.467  -0.944  -0.762
  387   1HB   SER  45          2HB       SER  45 -10.634   1.265  -0.482
  388   2HB   SER  45          1HB       SER  45  -9.879   1.262  -2.076
  389    HG   SER  45           HG       SER  45 -11.886   1.389  -3.014
  390    H    SER  46           H        SER  46 -12.179  -2.656  -2.029
  391    HA   SER  46           HA       SER  46 -11.713  -2.900  -4.801
  392   1HB   SER  46          2HB       SER  46 -14.088  -3.998  -3.284
  393   2HB   SER  46          1HB       SER  46 -13.385  -4.626  -4.775
  394    HG   SER  46           HG       SER  46 -12.434  -5.877  -3.327
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1  10.983  -3.688  -4.721
    2   2H    MET   1          2HT       MET   1   9.634  -3.170  -3.796
    3   3H    MET   1          3HT       MET   1   9.474  -4.481  -4.891
    4    HA   MET   1           HA       MET   1  10.971  -4.376  -2.369
    5   1HB   MET   1          2HB       MET   1   8.657  -5.999  -3.437
    6   2HB   MET   1          1HB       MET   1   9.489  -6.370  -1.934
    7   1HG   MET   1          2HG       MET   1   8.269  -3.680  -2.424
    8   2HG   MET   1          1HG       MET   1   7.317  -5.033  -1.817
    9   1HE   MET   1          1HE       MET   1   8.568  -2.113   0.772
   10   2HE   MET   1          2HE       MET   1   8.175  -2.116  -0.947
   11   3HE   MET   1          3HE       MET   1   9.860  -2.104  -0.427
   12    H    ARG   2           H        ARG   2  12.794  -5.514  -2.282
   13    HA   ARG   2           HA       ARG   2  13.574  -7.179  -4.512
   14   1HB   ARG   2          2HB       ARG   2  15.023  -5.551  -3.011
   15   2HB   ARG   2          1HB       ARG   2  15.202  -6.990  -2.018
   16   1HG   ARG   2          2HG       ARG   2  15.789  -8.041  -4.404
   17   2HG   ARG   2          1HG       ARG   2  16.298  -6.375  -4.688
   18   1HD   ARG   2          2HD       ARG   2  17.825  -6.441  -2.876
   19   2HD   ARG   2          1HD       ARG   2  17.153  -7.956  -2.275
   20    HE   ARG   2           HE       ARG   2  19.138  -7.639  -4.303
   21   1HH1  ARG   2          1HH1      ARG   2  16.520  -9.704  -3.242
   22   2HH1  ARG   2          2HH1      ARG   2  17.164 -11.116  -4.010
   23   1HH2  ARG   2          1HH2      ARG   2  19.976  -9.499  -5.306
   24   2HH2  ARG   2          2HH2      ARG   2  19.122 -11.001  -5.179
   25    H    LYS   3           H        LYS   3  13.153  -7.649  -1.004
   26    HA   LYS   3           HA       LYS   3  11.903 -10.143  -1.227
   27   1HB   LYS   3          2HB       LYS   3  14.401 -10.573  -1.957
   28   2HB   LYS   3          1HB       LYS   3  14.688 -10.568  -0.223
   29   1HG   LYS   3          2HG       LYS   3  14.371 -12.822  -0.907
   30   2HG   LYS   3          1HG       LYS   3  12.940 -12.330   0.001
   31   1HD   LYS   3          2HD       LYS   3  11.836 -13.220  -1.752
   32   2HD   LYS   3          1HD       LYS   3  12.185 -11.664  -2.508
   33   1HE   LYS   3          2HE       LYS   3  14.083 -12.555  -3.642
   34   2HE   LYS   3          1HE       LYS   3  14.001 -14.057  -2.722
   35   1HZ   LYS   3          1HZ       LYS   3  12.935 -14.759  -4.560
   36   2HZ   LYS   3          2HZ       LYS   3  12.452 -13.207  -5.029
   37   3HZ   LYS   3          3HZ       LYS   3  11.589 -14.035  -3.832
   38    H    LEU   4           H        LEU   4  10.634  -9.167   0.368
   39    HA   LEU   4           HA       LEU   4  11.836  -9.209   3.054
   40   1HB   LEU   4          2HB       LEU   4   9.660  -7.263   2.428
   41   2HB   LEU   4          1HB       LEU   4  10.871  -7.204   3.691
   42    HG   LEU   4           HG       LEU   4  11.421  -6.725   0.759
   43   1HD1  LEU   4          1HD1      LEU   4  11.328  -4.456   1.130
   44   2HD1  LEU   4          2HD1      LEU   4  11.553  -4.623   2.872
   45   3HD1  LEU   4          3HD1      LEU   4  10.001  -5.031   2.140
   46   1HD2  LEU   4          1HD2      LEU   4  13.115  -7.001   3.156
   47   2HD2  LEU   4          2HD2      LEU   4  13.490  -5.639   2.100
   48   3HD2  LEU   4          3HD2      LEU   4  13.495  -7.280   1.457
   49    H    SER   5           H        SER   5  10.534  -9.965   4.702
   50    HA   SER   5           HA       SER   5   8.559 -11.852   4.044
   51   1HB   SER   5          2HB       SER   5   9.264 -10.541   6.673
   52   2HB   SER   5          1HB       SER   5   8.095 -11.853   6.526
   53    HG   SER   5           HG       SER   5  10.566 -12.204   6.916
   54    H    ASP   6           H        ASP   6   6.289 -11.837   4.861
   55    HA   ASP   6           HA       ASP   6   4.856  -9.690   3.774
   56   1HB   ASP   6          2HB       ASP   6   3.580 -11.312   5.949
   57   2HB   ASP   6          1HB       ASP   6   2.902 -10.733   4.439
   58    H    GLU   7           H        GLU   7   6.284 -10.105   6.897
   59    HA   GLU   7           HA       GLU   7   4.711  -8.132   8.232
   60   1HB   GLU   7          2HB       GLU   7   6.901  -9.910   8.889
   61   2HB   GLU   7          1HB       GLU   7   7.188  -8.305   9.547
   62   1HG   GLU   7          2HG       GLU   7   4.903  -8.406  10.558
   63   2HG   GLU   7          1HG       GLU   7   4.825 -10.092  10.049
   64    H    LEU   8           H        LEU   8   7.718  -8.141   6.440
   65    HA   LEU   8           HA       LEU   8   8.288  -5.370   7.021
   66   1HB   LEU   8          2HB       LEU   8   9.577  -7.519   5.415
   67   2HB   LEU   8          1HB       LEU   8   9.981  -5.849   5.060
   68    HG   LEU   8           HG       LEU   8  11.540  -7.006   6.634
   69   1HD1  LEU   8          1HD1      LEU   8  10.240  -4.701   8.017
   70   2HD1  LEU   8          2HD1      LEU   8  11.071  -4.486   6.476
   71   3HD1  LEU   8          3HD1      LEU   8  11.954  -5.095   7.876
   72   1HD2  LEU   8          1HD2      LEU   8   9.428  -8.057   7.833
   73   2HD2  LEU   8          2HD2      LEU   8   9.590  -6.612   8.830
   74   3HD2  LEU   8          3HD2      LEU   8  10.933  -7.749   8.699
   75    H    LEU   9           H        LEU   9   6.862  -7.262   4.454
   76    HA   LEU   9           HA       LEU   9   6.722  -5.116   2.566
   77   1HB   LEU   9          2HB       LEU   9   6.805  -7.390   1.771
   78   2HB   LEU   9          1HB       LEU   9   5.377  -7.810   2.694
   79    HG   LEU   9           HG       LEU   9   4.092  -6.185   1.241
   80   1HD1  LEU   9          1HD1      LEU   9   5.016  -5.170  -0.566
   81   2HD1  LEU   9          2HD1      LEU   9   6.217  -6.439  -0.806
   82   3HD1  LEU   9          3HD1      LEU   9   6.450  -5.233   0.460
   83   1HD2  LEU   9          1HD2      LEU   9   5.381  -8.656   0.107
   84   2HD2  LEU   9          2HD2      LEU   9   4.100  -7.777  -0.727
   85   3HD2  LEU   9          3HD2      LEU   9   3.791  -8.497   0.853
   86    H    ILE  10           H        ILE  10   4.416  -6.680   4.750
   87    HA   ILE  10           HA       ILE  10   2.243  -5.047   3.967
   88    HB   ILE  10           HB       ILE  10   2.623  -6.706   6.453
   89   1HG1  ILE  10          2HG1      ILE  10   0.922  -7.240   4.021
   90   2HG1  ILE  10          1HG1      ILE  10   2.588  -7.797   4.158
   91   1HG2  ILE  10          1HG2      ILE  10   0.959  -5.151   7.052
   92   2HG2  ILE  10          2HG2      ILE  10   0.076  -6.581   6.514
   93   3HG2  ILE  10          3HG2      ILE  10   0.233  -5.187   5.444
   94   1HD1  ILE  10          1HD1      ILE  10   2.068  -9.397   5.651
   95   2HD1  ILE  10          2HD1      ILE  10   0.511  -9.283   4.835
   96   3HD1  ILE  10          3HD1      ILE  10   0.762  -8.459   6.373
   97    H    GLU  11           H        GLU  11   4.674  -4.790   6.512
   98    HA   GLU  11           HA       GLU  11   3.514  -2.628   7.894
   99   1HB   GLU  11          2HB       GLU  11   6.216  -3.814   7.712
  100   2HB   GLU  11          1HB       GLU  11   6.153  -2.149   8.244
  101   1HG   GLU  11          2HG       GLU  11   6.153  -3.819  10.082
  102   2HG   GLU  11          1HG       GLU  11   4.790  -2.701  10.108
  103    H    SER  12           H        SER  12   5.283  -2.847   4.897
  104    HA   SER  12           HA       SER  12   5.949  -0.090   4.672
  105   1HB   SER  12          2HB       SER  12   5.524  -2.055   2.409
  106   2HB   SER  12          1HB       SER  12   6.495  -0.583   2.377
  107    HG   SER  12           HG       SER  12   7.751  -1.647   4.107
  108    H    TYR  13           H        TYR  13   3.307  -2.087   3.405
  109    HA   TYR  13           HA       TYR  13   1.949   0.002   2.069
  110   1HB   TYR  13          2HB       TYR  13   1.559  -2.440   1.695
  111   2HB   TYR  13          1HB       TYR  13   0.751  -2.511   3.254
  112    HD1  TYR  13           1HD      TYR  13   0.584  -0.848  -0.069
  113    HD2  TYR  13           2HD      TYR  13  -1.529  -2.034   3.427
  114    HE1  TYR  13           1HE      TYR  13  -1.534  -0.197  -1.137
  115    HE2  TYR  13           2HE      TYR  13  -3.653  -1.389   2.369
  116    HH   TYR  13           HH       TYR  13  -3.818   0.483  -0.432
  117    H    PHE  14           H        PHE  14   1.853  -1.237   5.341
  118    HA   PHE  14           HA       PHE  14  -0.415   0.302   6.157
  119   1HB   PHE  14          2HB       PHE  14   1.689  -1.201   7.696
  120   2HB   PHE  14          1HB       PHE  14   0.359  -0.370   8.477
  121    HD1  PHE  14           1HD      PHE  14   0.090  -2.745   9.438
  122    HD2  PHE  14           2HD      PHE  14  -0.664  -1.778   5.359
  123    HE1  PHE  14           1HE      PHE  14  -1.283  -4.774   9.210
  124    HE2  PHE  14           2HE      PHE  14  -2.036  -3.801   5.130
  125    HZ   PHE  14           HZ       PHE  14  -2.348  -5.310   7.051
  126    H    LYS  15           H        LYS  15   3.079   0.637   6.443
  127    HA   LYS  15           HA       LYS  15   3.053   2.990   8.014
  128   1HB   LYS  15          2HB       LYS  15   5.084   1.563   6.348
  129   2HB   LYS  15          1HB       LYS  15   5.421   3.211   6.849
  130   1HG   LYS  15          2HG       LYS  15   5.670   2.648   9.038
  131   2HG   LYS  15          1HG       LYS  15   4.528   1.313   8.942
  132   1HD   LYS  15          2HD       LYS  15   6.950   0.684   9.306
  133   2HD   LYS  15          1HD       LYS  15   6.143  -0.121   7.966
  134   1HE   LYS  15          2HE       LYS  15   7.643   0.665   6.524
  135   2HE   LYS  15          1HE       LYS  15   7.359   2.320   7.061
  136   1HZ   LYS  15          1HZ       LYS  15   9.683   1.103   7.343
  137   2HZ   LYS  15          2HZ       LYS  15   8.974   0.635   8.805
  138   3HZ   LYS  15          3HZ       LYS  15   9.138   2.276   8.433
  139    H    ALA  16           H        ALA  16   3.566   2.454   4.537
  140    HA   ALA  16           HA       ALA  16   3.743   5.141   3.793
  141   1HB   ALA  16          1HB       ALA  16   2.994   2.657   2.287
  142   2HB   ALA  16          2HB       ALA  16   4.486   3.595   2.208
  143   3HB   ALA  16          3HB       ALA  16   3.000   4.241   1.509
  144    H    THR  17           H        THR  17   0.942   3.129   4.408
  145    HA   THR  17           HA       THR  17  -0.922   4.908   3.174
  146    HB   THR  17           HB       THR  17  -2.574   3.618   4.700
  147    HG1  THR  17           1HG      THR  17  -1.495   2.548   6.164
  148   1HG2  THR  17          1HG2      THR  17  -2.812   2.766   2.643
  149   2HG2  THR  17          2HG2      THR  17  -1.920   1.405   3.325
  150   3HG2  THR  17          3HG2      THR  17  -1.074   2.629   2.380
  151    H    GLU  18           H        GLU  18   0.531   4.602   6.335
  152    HA   GLU  18           HA       GLU  18  -1.221   6.474   7.615
  153   1HB   GLU  18          2HB       GLU  18   1.177   4.912   8.366
  154   2HB   GLU  18          1HB       GLU  18   0.912   6.402   9.260
  155   1HG   GLU  18          2HG       GLU  18  -1.295   5.645   9.918
  156   2HG   GLU  18          1HG       GLU  18  -1.088   4.173   8.970
  157    H    MET  19           H        MET  19   2.156   6.587   6.541
  158    HA   MET  19           HA       MET  19   2.387   9.394   7.064
  159   1HB   MET  19          2HB       MET  19   4.591   9.142   5.920
  160   2HB   MET  19          1HB       MET  19   4.353   8.087   7.300
  161   1HG   MET  19          2HG       MET  19   3.490   6.591   5.131
  162   2HG   MET  19          1HG       MET  19   4.909   7.446   4.540
  163   1HE   MET  19          1HE       MET  19   5.559   3.917   4.985
  164   2HE   MET  19          2HE       MET  19   7.082   4.806   4.921
  165   3HE   MET  19          3HE       MET  19   5.699   5.356   3.977
  166    H    ASN  20           H        ASN  20   1.180   7.559   4.461
  167    HA   ASN  20           HA       ASN  20   0.249   8.181   2.481
  168   1HB   ASN  20          2HB       ASN  20   1.116  11.021   2.986
  169   2HB   ASN  20          1HB       ASN  20  -0.203  10.455   1.967
  170   1HD2  ASN  20          1HD2      ASN  20  -1.850   9.096   3.240
  171   2HD2  ASN  20          2HD2      ASN  20  -2.360   9.768   4.747
  172    H    LEU  21           H        LEU  21   2.779   7.135   2.582
  173    HA   LEU  21           HA       LEU  21   4.786   8.541   1.240
  174   1HB   LEU  21          2HB       LEU  21   4.758   6.201   2.438
  175   2HB   LEU  21          1HB       LEU  21   4.411   5.599   0.830
  176    HG   LEU  21           HG       LEU  21   6.769   7.386   1.257
  177   1HD1  LEU  21          1HD1      LEU  21   7.488   5.934   2.823
  178   2HD1  LEU  21          2HD1      LEU  21   7.939   4.986   1.406
  179   3HD1  LEU  21          3HD1      LEU  21   6.438   4.633   2.261
  180   1HD2  LEU  21          1HD2      LEU  21   7.067   6.926  -0.899
  181   2HD2  LEU  21          2HD2      LEU  21   5.668   5.855  -0.895
  182   3HD2  LEU  21          3HD2      LEU  21   7.264   5.221  -0.499
  183    H    ASN  22           H        ASN  22   5.552   8.226  -0.987
  184    HA   ASN  22           HA       ASN  22   3.886   9.018  -2.953
  185   1HB   ASN  22          2HB       ASN  22   6.408   8.705  -3.055
  186   2HB   ASN  22          1HB       ASN  22   6.087   7.038  -3.521
  187   1HD2  ASN  22          1HD2      ASN  22   7.461   8.173  -5.320
  188   2HD2  ASN  22          2HD2      ASN  22   6.538   8.743  -6.665
  189    H    ARG  23           H        ARG  23   2.463   8.204  -4.392
  190    HA   ARG  23           HA       ARG  23   0.987   5.936  -3.802
  191   1HB   ARG  23          2HB       ARG  23   0.318   7.900  -5.252
  192   2HB   ARG  23          1HB       ARG  23   1.219   7.139  -6.555
  193   1HG   ARG  23          2HG       ARG  23  -0.302   5.446  -6.806
  194   2HG   ARG  23          1HG       ARG  23  -0.857   5.549  -5.135
  195   1HD   ARG  23          2HD       ARG  23  -2.480   6.982  -5.670
  196   2HD   ARG  23          1HD       ARG  23  -1.377   7.999  -6.599
  197    HE   ARG  23           HE       ARG  23  -1.916   5.726  -8.117
  198   1HH1  ARG  23          1HH1      ARG  23  -3.643   8.502  -6.870
  199   2HH1  ARG  23          2HH1      ARG  23  -4.795   8.516  -8.162
  200   1HH2  ARG  23          1HH2      ARG  23  -3.433   5.752  -9.810
  201   2HH2  ARG  23          2HH2      ARG  23  -4.676   6.958  -9.828
  202    H    ASP  24           H        ASP  24   3.839   6.245  -5.798
  203    HA   ASP  24           HA       ASP  24   3.567   3.794  -7.168
  204   1HB   ASP  24          2HB       ASP  24   5.843   5.662  -6.631
  205   2HB   ASP  24          1HB       ASP  24   6.184   4.069  -7.299
  206    H    PHE  25           H        PHE  25   4.898   4.631  -4.041
  207    HA   PHE  25           HA       PHE  25   6.110   2.075  -3.586
  208   1HB   PHE  25          2HB       PHE  25   6.620   4.396  -2.468
  209   2HB   PHE  25          1HB       PHE  25   5.321   3.939  -1.371
  210    HD1  PHE  25           1HD      PHE  25   6.324   3.446   0.646
  211    HD2  PHE  25           2HD      PHE  25   7.990   1.873  -2.939
  212    HE1  PHE  25           1HE      PHE  25   7.915   2.119   1.973
  213    HE2  PHE  25           2HE      PHE  25   9.583   0.541  -1.619
  214    HZ   PHE  25           HZ       PHE  25   9.547   0.662   0.840
  215    H    ILE  26           H        ILE  26   3.141   3.708  -2.591
  216    HA   ILE  26           HA       ILE  26   2.104   1.647  -0.984
  217    HB   ILE  26           HB       ILE  26   0.705   3.826  -2.545
  218   1HG1  ILE  26          2HG1      ILE  26   1.506   3.563   0.361
  219   2HG1  ILE  26          1HG1      ILE  26   2.189   4.671  -0.825
  220   1HG2  ILE  26          1HG2      ILE  26  -0.434   1.976  -0.444
  221   2HG2  ILE  26          2HG2      ILE  26  -0.893   2.045  -2.145
  222   3HG2  ILE  26          3HG2      ILE  26  -1.247   3.405  -1.080
  223   1HD1  ILE  26          1HD1      ILE  26  -0.506   4.755   0.481
  224   2HD1  ILE  26          2HD1      ILE  26  -0.156   5.658  -0.992
  225   3HD1  ILE  26          3HD1      ILE  26   0.764   5.980   0.477
  226    H    GLU  27           H        GLU  27   1.779   2.358  -4.442
  227    HA   GLU  27           HA       GLU  27   0.006   0.172  -4.940
  228   1HB   GLU  27          2HB       GLU  27   0.625   2.401  -6.336
  229   2HB   GLU  27          1HB       GLU  27   1.653   1.241  -7.160
  230   1HG   GLU  27          2HG       GLU  27  -0.704  -0.110  -7.049
  231   2HG   GLU  27          1HG       GLU  27  -1.251   1.557  -7.216
  232    H    LEU  28           H        LEU  28   3.458   0.672  -4.998
  233    HA   LEU  28           HA       LEU  28   4.155  -1.714  -6.352
  234   1HB   LEU  28          2HB       LEU  28   5.825  -0.091  -6.330
  235   2HB   LEU  28          1HB       LEU  28   5.582   0.283  -4.639
  236    HG   LEU  28           HG       LEU  28   6.724  -2.379  -5.389
  237   1HD1  LEU  28          1HD1      LEU  28   8.858  -1.582  -5.729
  238   2HD1  LEU  28          2HD1      LEU  28   8.520  -0.037  -4.950
  239   3HD1  LEU  28          3HD1      LEU  28   7.893  -0.364  -6.564
  240   1HD2  LEU  28          1HD2      LEU  28   6.359  -2.271  -3.113
  241   2HD2  LEU  28          2HD2      LEU  28   6.718  -0.546  -3.031
  242   3HD2  LEU  28          3HD2      LEU  28   8.027  -1.710  -3.231
  243    H    ILE  29           H        ILE  29   3.921  -0.865  -2.913
  244    HA   ILE  29           HA       ILE  29   4.651  -3.448  -1.975
  245    HB   ILE  29           HB       ILE  29   3.033  -1.346  -0.524
  246   1HG1  ILE  29          2HG1      ILE  29   5.959  -1.714  -0.085
  247   2HG1  ILE  29          1HG1      ILE  29   5.447  -0.835  -1.521
  248   1HG2  ILE  29          1HG2      ILE  29   3.544  -2.450   1.461
  249   2HG2  ILE  29          2HG2      ILE  29   4.844  -3.383   0.720
  250   3HG2  ILE  29          3HG2      ILE  29   3.163  -3.761   0.346
  251   1HD1  ILE  29          1HD1      ILE  29   4.340   0.810  -0.206
  252   2HD1  ILE  29          2HD1      ILE  29   5.958   0.586   0.456
  253   3HD1  ILE  29          3HD1      ILE  29   4.567  -0.136   1.265
  254    H    GLU  30           H        GLU  30   1.656  -1.912  -2.916
  255    HA   GLU  30           HA       GLU  30  -0.039  -3.982  -1.872
  256   1HB   GLU  30          2HB       GLU  30  -0.665  -1.528  -2.346
  257   2HB   GLU  30          1HB       GLU  30  -0.802  -2.022  -4.028
  258   1HG   GLU  30          2HG       GLU  30  -2.301  -3.920  -2.815
  259   2HG   GLU  30          1HG       GLU  30  -2.579  -2.539  -1.754
  260    H    ASN  31           H        ASN  31   1.545  -3.258  -4.903
  261    HA   ASN  31           HA       ASN  31   0.134  -5.149  -6.483
  262   1HB   ASN  31          2HB       ASN  31   2.634  -3.540  -6.796
  263   2HB   ASN  31          1HB       ASN  31   2.356  -4.879  -7.903
  264   1HD2  ASN  31          1HD2      ASN  31   2.356  -3.095  -9.470
  265   2HD2  ASN  31          2HD2      ASN  31   0.869  -2.270  -9.774
  266    H    GLU  32           H        GLU  32   2.871  -5.357  -4.340
  267    HA   GLU  32           HA       GLU  32   3.705  -7.947  -5.308
  268   1HB   GLU  32          2HB       GLU  32   5.351  -6.399  -4.334
  269   2HB   GLU  32          1HB       GLU  32   4.488  -6.436  -2.803
  270   1HG   GLU  32          2HG       GLU  32   6.276  -7.888  -2.492
  271   2HG   GLU  32          1HG       GLU  32   4.909  -8.951  -2.826
  272    H    ILE  33           H        ILE  33   2.063  -6.623  -2.482
  273    HA   ILE  33           HA       ILE  33   1.567  -9.088  -1.189
  274    HB   ILE  33           HB       ILE  33   0.039  -6.479  -1.023
  275   1HG1  ILE  33          2HG1      ILE  33   2.080  -7.475   0.948
  276   2HG1  ILE  33          1HG1      ILE  33   2.558  -6.543  -0.467
  277   1HG2  ILE  33          1HG2      ILE  33  -1.143  -7.261   0.758
  278   2HG2  ILE  33          2HG2      ILE  33   0.135  -8.364   1.265
  279   3HG2  ILE  33          3HG2      ILE  33  -0.913  -8.792  -0.084
  280   1HD1  ILE  33          1HD1      ILE  33   0.605  -5.616   1.623
  281   2HD1  ILE  33          2HD1      ILE  33   1.219  -4.678   0.262
  282   3HD1  ILE  33          3HD1      ILE  33   2.311  -5.173   1.557
  283    H    LYS  34           H        LYS  34  -0.076  -7.282  -3.711
  284    HA   LYS  34           HA       LYS  34  -2.505  -8.758  -3.646
  285   1HB   LYS  34          2HB       LYS  34  -1.215  -6.828  -5.514
  286   2HB   LYS  34          1HB       LYS  34  -2.516  -7.833  -6.143
  287   1HG   LYS  34          2HG       LYS  34  -2.990  -6.444  -3.571
  288   2HG   LYS  34          1HG       LYS  34  -2.956  -5.465  -5.036
  289   1HD   LYS  34          2HD       LYS  34  -4.738  -6.693  -6.005
  290   2HD   LYS  34          1HD       LYS  34  -4.632  -7.949  -4.769
  291   1HE   LYS  34          2HE       LYS  34  -5.169  -6.065  -3.106
  292   2HE   LYS  34          1HE       LYS  34  -5.677  -5.148  -4.523
  293   1HZ   LYS  34          1HZ       LYS  34  -6.886  -7.537  -3.324
  294   2HZ   LYS  34          2HZ       LYS  34  -7.045  -7.304  -4.991
  295   3HZ   LYS  34          3HZ       LYS  34  -7.628  -6.136  -3.916
  296    H    ARG  35           H        ARG  35   0.454  -8.979  -5.588
  297    HA   ARG  35           HA       ARG  35  -0.429 -11.222  -7.114
  298   1HB   ARG  35          2HB       ARG  35   1.332  -9.708  -7.920
  299   2HB   ARG  35          1HB       ARG  35   2.371 -10.201  -6.591
  300   1HG   ARG  35          2HG       ARG  35   3.201 -11.766  -7.919
  301   2HG   ARG  35          1HG       ARG  35   1.638 -12.581  -7.839
  302   1HD   ARG  35          2HD       ARG  35   1.617 -12.337 -10.066
  303   2HD   ARG  35          1HD       ARG  35   1.176 -10.664  -9.725
  304    HE   ARG  35           HE       ARG  35   3.259  -9.999 -10.417
  305   1HH1  ARG  35          1HH1      ARG  35   3.269 -13.472  -9.991
  306   2HH1  ARG  35          2HH1      ARG  35   4.826 -13.677 -10.719
  307   1HH2  ARG  35          1HH2      ARG  35   5.304 -10.278 -11.372
  308   2HH2  ARG  35          2HH2      ARG  35   5.980 -11.867 -11.500
  309    H    ARG  36           H        ARG  36   0.981 -10.809  -3.980
  310    HA   ARG  36           HA       ARG  36   1.893 -13.536  -3.739
  311   1HB   ARG  36          2HB       ARG  36   1.879 -11.109  -2.000
  312   2HB   ARG  36          1HB       ARG  36   2.075 -12.680  -1.241
  313   1HG   ARG  36          2HG       ARG  36   3.934 -13.019  -3.023
  314   2HG   ARG  36          1HG       ARG  36   3.882 -11.260  -3.142
  315   1HD   ARG  36          2HD       ARG  36   4.819 -10.965  -1.111
  316   2HD   ARG  36          1HD       ARG  36   3.971 -12.341  -0.406
  317    HE   ARG  36           HE       ARG  36   6.599 -12.328  -1.546
  318   1HH1  ARG  36          1HH1      ARG  36   3.813 -14.336  -0.876
  319   2HH1  ARG  36          2HH1      ARG  36   4.727 -15.805  -0.856
  320   1HH2  ARG  36          1HH2      ARG  36   7.791 -14.264  -1.520
  321   2HH2  ARG  36          2HH2      ARG  36   6.981 -15.765  -1.221
  322    H    SER  37           H        SER  37  -1.149 -12.431  -3.892
  323    HA   SER  37           HA       SER  37  -3.172 -13.149  -3.146
  324   1HB   SER  37          2HB       SER  37  -2.116 -15.365  -3.766
  325   2HB   SER  37          1HB       SER  37  -1.698 -15.557  -2.064
  326    HG   SER  37           HG       SER  37  -3.770 -16.495  -2.864
  327    H    LEU  38           H        LEU  38  -1.601 -11.463  -1.462
  328    HA   LEU  38           HA       LEU  38  -2.599 -12.271   1.197
  329   1HB   LEU  38          2HB       LEU  38  -0.036 -12.162   0.677
  330   2HB   LEU  38          1HB       LEU  38  -0.272 -10.434   0.850
  331    HG   LEU  38           HG       LEU  38  -1.280 -10.934   3.130
  332   1HD1  LEU  38          1HD1      LEU  38   0.124 -13.569   2.750
  333   2HD1  LEU  38          2HD1      LEU  38  -1.623 -13.364   2.628
  334   3HD1  LEU  38          3HD1      LEU  38  -0.800 -13.030   4.152
  335   1HD2  LEU  38          1HD2      LEU  38   0.946  -9.989   2.831
  336   2HD2  LEU  38          2HD2      LEU  38   1.616 -11.608   2.633
  337   3HD2  LEU  38          3HD2      LEU  38   0.919 -11.126   4.178
  338    H    GLY  39           H        GLY  39  -3.597 -10.419  -1.149
  339   1HA   GLY  39          2HA       GLY  39  -3.572  -7.774  -0.238
  340   2HA   GLY  39          1HA       GLY  39  -4.802  -8.456  -1.281
  341    H    HIS  40           H        HIS  40  -5.389 -10.518   0.878
  342    HA   HIS  40           HA       HIS  40  -7.527  -9.154   2.105
  343   1HB   HIS  40          2HB       HIS  40  -7.772 -11.191   3.483
  344   2HB   HIS  40          1HB       HIS  40  -7.577 -11.569   1.775
  345    HD1  HIS  40           1HD      HIS  40  -5.479 -12.857   1.079
  346    HD2  HIS  40           2HD      HIS  40  -5.605 -11.944   5.130
  347    HE1  HIS  40           1HE      HIS  40  -3.641 -14.213   2.130
  348    HE2  HIS  40           2HE      HIS  40  -3.687 -13.587   4.571
  349    H    ILE  41           H        ILE  41  -4.199  -9.590   2.989
  350    HA   ILE  41           HA       ILE  41  -4.465  -8.984   5.754
  351    HB   ILE  41           HB       ILE  41  -2.530 -10.171   4.490
  352   1HG1  ILE  41          2HG1      ILE  41  -0.942  -9.602   6.248
  353   2HG1  ILE  41          1HG1      ILE  41  -1.880  -8.167   6.654
  354   1HG2  ILE  41          1HG2      ILE  41  -1.078  -7.603   4.489
  355   2HG2  ILE  41          2HG2      ILE  41  -2.208  -7.876   3.164
  356   3HG2  ILE  41          3HG2      ILE  41  -0.894  -9.016   3.449
  357   1HD1  ILE  41          1HD1      ILE  41  -3.210 -10.825   6.711
  358   2HD1  ILE  41          2HD1      ILE  41  -3.528  -9.382   7.674
  359   3HD1  ILE  41          3HD1      ILE  41  -2.117 -10.382   8.022
  360    H    ILE  42           H        ILE  42  -4.103  -7.103   2.849
  361    HA   ILE  42           HA       ILE  42  -3.641  -4.630   4.331
  362    HB   ILE  42           HB       ILE  42  -3.573  -3.603   2.014
  363   1HG1  ILE  42          2HG1      ILE  42  -3.413  -6.475   1.141
  364   2HG1  ILE  42          1HG1      ILE  42  -4.829  -5.460   0.934
  365   1HG2  ILE  42          1HG2      ILE  42  -1.543  -4.127   3.227
  366   2HG2  ILE  42          2HG2      ILE  42  -1.343  -4.431   1.501
  367   3HG2  ILE  42          3HG2      ILE  42  -1.591  -5.780   2.612
  368   1HD1  ILE  42          1HD1      ILE  42  -2.128  -5.122  -0.329
  369   2HD1  ILE  42          2HD1      ILE  42  -3.400  -3.903  -0.405
  370   3HD1  ILE  42          3HD1      ILE  42  -3.657  -5.491  -1.127
  371    H    SER  43           H        SER  43  -4.956  -2.753   3.963
  372    HA   SER  43           HA       SER  43  -7.782  -3.431   3.711
  373   1HB   SER  43          2HB       SER  43  -6.691  -1.925   5.567
  374   2HB   SER  43          1HB       SER  43  -6.774  -0.669   4.332
  375    HG   SER  43           HG       SER  43  -8.649  -1.044   5.867
  376    H    VAL  44           H        VAL  44  -7.400  -3.845   1.389
  377    HA   VAL  44           HA       VAL  44  -6.741  -1.708  -0.376
  378    HB   VAL  44           HB       VAL  44  -8.378  -4.004  -1.370
  379   1HG1  VAL  44          1HG1      VAL  44  -7.008  -3.800  -3.300
  380   2HG1  VAL  44          2HG1      VAL  44  -5.857  -2.770  -2.449
  381   3HG1  VAL  44          3HG1      VAL  44  -7.474  -2.169  -2.818
  382   1HG2  VAL  44          1HG2      VAL  44  -5.565  -4.225  -0.353
  383   2HG2  VAL  44          2HG2      VAL  44  -6.229  -5.329  -1.554
  384   3HG2  VAL  44          3HG2      VAL  44  -6.951  -5.236   0.053
  385    H    SER  45           H        SER  45  -8.027  -0.332  -1.522
  386    HA   SER  45           HA       SER  45 -10.593   0.260  -0.457
  387   1HB   SER  45          2HB       SER  45  -9.327   1.277  -3.013
  388   2HB   SER  45          1HB       SER  45 -10.690   2.005  -2.164
  389    HG   SER  45           HG       SER  45  -8.318   2.726  -1.809
  390    H    SER  46           H        SER  46 -11.887  -1.559  -0.714
  391    HA   SER  46           HA       SER  46 -12.991  -1.870  -3.400
  392   1HB   SER  46          2HB       SER  46 -11.459  -3.689  -3.388
  393   2HB   SER  46          1HB       SER  46 -11.870  -4.118  -1.727
  394    HG   SER  46           HG       SER  46 -13.490  -5.245  -2.442
  Start of MODEL   22
    1   1H    MET   1          1HT       MET   1  11.908  -3.787  -0.725
    2   2H    MET   1          2HT       MET   1  13.308  -4.266  -1.594
    3   3H    MET   1          3HT       MET   1  12.304  -5.449  -0.860
    4    HA   MET   1           HA       MET   1  10.484  -4.555  -2.310
    5   1HB   MET   1          2HB       MET   1  12.408  -2.683  -2.880
    6   2HB   MET   1          1HB       MET   1  12.543  -3.764  -4.261
    7   1HG   MET   1          2HG       MET   1  10.074  -2.319  -3.331
    8   2HG   MET   1          1HG       MET   1  11.023  -1.982  -4.777
    9   1HE   MET   1          1HE       MET   1   7.394  -3.881  -4.322
   10   2HE   MET   1          2HE       MET   1   8.513  -3.650  -2.978
   11   3HE   MET   1          3HE       MET   1   8.272  -5.259  -3.657
   12    H    ARG   2           H        ARG   2  13.662  -5.983  -2.596
   13    HA   ARG   2           HA       ARG   2  12.995  -7.682  -4.807
   14   1HB   ARG   2          2HB       ARG   2  15.263  -8.124  -2.875
   15   2HB   ARG   2          1HB       ARG   2  15.159  -8.611  -4.560
   16   1HG   ARG   2          2HG       ARG   2  15.221  -6.231  -5.216
   17   2HG   ARG   2          1HG       ARG   2  15.430  -5.799  -3.519
   18   1HD   ARG   2          2HD       ARG   2  17.323  -7.247  -5.341
   19   2HD   ARG   2          1HD       ARG   2  17.596  -5.790  -4.396
   20    HE   ARG   2           HE       ARG   2  17.987  -7.083  -2.515
   21   1HH1  ARG   2          1HH1      ARG   2  16.971  -9.131  -5.173
   22   2HH1  ARG   2          2HH1      ARG   2  17.453 -10.590  -4.381
   23   1HH2  ARG   2          1HH2      ARG   2  18.612  -9.008  -1.495
   24   2HH2  ARG   2          2HH2      ARG   2  18.380 -10.523  -2.300
   25    H    LYS   3           H        LYS   3  13.493  -8.231  -1.322
   26    HA   LYS   3           HA       LYS   3  11.473 -10.288  -1.321
   27   1HB   LYS   3          2HB       LYS   3  13.573 -11.451  -2.086
   28   2HB   LYS   3          1HB       LYS   3  14.282 -11.061  -0.526
   29   1HG   LYS   3          2HG       LYS   3  12.841 -12.485   0.624
   30   2HG   LYS   3          1HG       LYS   3  11.699 -12.561  -0.719
   31   1HD   LYS   3          2HD       LYS   3  14.438 -13.522  -1.269
   32   2HD   LYS   3          1HD       LYS   3  13.470 -14.505  -0.170
   33   1HE   LYS   3          2HE       LYS   3  12.734 -15.447  -2.081
   34   2HE   LYS   3          1HE       LYS   3  11.665 -14.045  -2.118
   35   1HZ   LYS   3          1HZ       LYS   3  13.496 -12.928  -3.433
   36   2HZ   LYS   3          2HZ       LYS   3  12.635 -14.149  -4.228
   37   3HZ   LYS   3          3HZ       LYS   3  14.181 -14.465  -3.616
   38    H    LEU   4           H        LEU   4  10.328  -9.775   0.405
   39    HA   LEU   4           HA       LEU   4  11.677  -9.390   2.967
   40   1HB   LEU   4          2HB       LEU   4   9.467  -7.499   2.313
   41   2HB   LEU   4          1HB       LEU   4  10.776  -7.325   3.463
   42    HG   LEU   4           HG       LEU   4  11.233  -7.226   0.486
   43   1HD1  LEU   4          1HD1      LEU   4  11.392  -4.690   1.009
   44   2HD1  LEU   4          2HD1      LEU   4  10.338  -5.085   2.368
   45   3HD1  LEU   4          3HD1      LEU   4   9.813  -5.422   0.718
   46   1HD2  LEU   4          1HD2      LEU   4  12.918  -5.765   2.414
   47   2HD2  LEU   4          2HD2      LEU   4  13.367  -6.674   0.970
   48   3HD2  LEU   4          3HD2      LEU   4  13.020  -7.524   2.476
   49    H    SER   5           H        SER   5  10.465 -10.023   4.731
   50    HA   SER   5           HA       SER   5   8.463 -11.947   4.328
   51   1HB   SER   5          2HB       SER   5   8.949 -10.395   6.878
   52   2HB   SER   5          1HB       SER   5   8.231 -11.999   6.727
   53    HG   SER   5           HG       SER   5  10.209 -12.805   6.092
   54    H    ASP   6           H        ASP   6   6.219 -11.880   5.107
   55    HA   ASP   6           HA       ASP   6   4.761  -9.804   3.934
   56   1HB   ASP   6          2HB       ASP   6   3.540 -11.335   6.209
   57   2HB   ASP   6          1HB       ASP   6   2.818 -10.814   4.698
   58    H    GLU   7           H        GLU   7   6.202 -10.047   7.070
   59    HA   GLU   7           HA       GLU   7   4.638  -7.982   8.284
   60   1HB   GLU   7          2HB       GLU   7   6.802  -9.760   9.060
   61   2HB   GLU   7          1HB       GLU   7   7.065  -8.132   9.669
   62   1HG   GLU   7          2HG       GLU   7   5.231  -8.193  11.032
   63   2HG   GLU   7          1HG       GLU   7   4.386  -9.369  10.026
   64    H    LEU   8           H        LEU   8   7.659  -8.157   6.537
   65    HA   LEU   8           HA       LEU   8   8.355  -5.406   7.009
   66   1HB   LEU   8          2HB       LEU   8   9.488  -7.648   5.415
   67   2HB   LEU   8          1HB       LEU   8   9.970  -6.009   5.019
   68    HG   LEU   8           HG       LEU   8  11.507  -7.220   6.573
   69   1HD1  LEU   8          1HD1      LEU   8  11.976  -5.320   7.895
   70   2HD1  LEU   8          2HD1      LEU   8  10.301  -4.772   7.820
   71   3HD1  LEU   8          3HD1      LEU   8  11.311  -4.725   6.374
   72   1HD2  LEU   8          1HD2      LEU   8   9.237  -6.877   8.522
   73   2HD2  LEU   8          2HD2      LEU   8  10.866  -7.428   8.917
   74   3HD2  LEU   8          3HD2      LEU   8   9.828  -8.410   7.883
   75    H    LEU   9           H        LEU   9   6.859  -7.282   4.446
   76    HA   LEU   9           HA       LEU   9   6.770  -5.127   2.570
   77   1HB   LEU   9          2HB       LEU   9   6.806  -7.418   1.792
   78   2HB   LEU   9          1HB       LEU   9   5.330  -7.773   2.667
   79    HG   LEU   9           HG       LEU   9   4.179  -6.073   1.175
   80   1HD1  LEU   9          1HD1      LEU   9   5.235  -5.501  -0.912
   81   2HD1  LEU   9          2HD1      LEU   9   6.677  -6.417  -0.475
   82   3HD1  LEU   9          3HD1      LEU   9   6.254  -4.958   0.422
   83   1HD2  LEU   9          1HD2      LEU   9   4.146  -7.679  -0.781
   84   2HD2  LEU   9          2HD2      LEU   9   3.749  -8.365   0.795
   85   3HD2  LEU   9          3HD2      LEU   9   5.347  -8.627   0.097
   86    H    ILE  10           H        ILE  10   4.412  -6.633   4.742
   87    HA   ILE  10           HA       ILE  10   2.283  -4.948   3.938
   88    HB   ILE  10           HB       ILE  10   2.607  -6.597   6.439
   89   1HG1  ILE  10          2HG1      ILE  10   0.892  -7.145   4.022
   90   2HG1  ILE  10          1HG1      ILE  10   2.564  -7.689   4.124
   91   1HG2  ILE  10          1HG2      ILE  10   0.893  -5.323   7.178
   92   2HG2  ILE  10          2HG2      ILE  10  -0.063  -6.362   6.121
   93   3HG2  ILE  10          3HG2      ILE  10   0.464  -4.776   5.558
   94   1HD1  ILE  10          1HD1      ILE  10   0.572  -9.229   4.823
   95   2HD1  ILE  10          2HD1      ILE  10   0.723  -8.356   6.344
   96   3HD1  ILE  10          3HD1      ILE  10   2.099  -9.252   5.700
   97    H    GLU  11           H        GLU  11   4.767  -4.727   6.393
   98    HA   GLU  11           HA       GLU  11   3.680  -2.581   7.859
   99   1HB   GLU  11          2HB       GLU  11   6.387  -3.757   7.508
  100   2HB   GLU  11          1HB       GLU  11   6.293  -2.148   8.195
  101   1HG   GLU  11          2HG       GLU  11   4.466  -4.114   9.383
  102   2HG   GLU  11          1HG       GLU  11   6.183  -4.436   9.624
  103    H    SER  12           H        SER  12   5.354  -2.765   4.812
  104    HA   SER  12           HA       SER  12   6.008   0.017   4.652
  105   1HB   SER  12          2HB       SER  12   5.637  -1.597   2.169
  106   2HB   SER  12          1HB       SER  12   6.928  -0.474   2.598
  107    HG   SER  12           HG       SER  12   6.649  -3.184   3.187
  108    H    TYR  13           H        TYR  13   3.423  -2.035   3.355
  109    HA   TYR  13           HA       TYR  13   2.054   0.041   1.995
  110   1HB   TYR  13          2HB       TYR  13   1.710  -2.413   1.601
  111   2HB   TYR  13          1HB       TYR  13   0.863  -2.493   3.141
  112    HD1  TYR  13           1HD      TYR  13  -1.434  -2.148   3.205
  113    HD2  TYR  13           2HD      TYR  13   0.775  -0.711  -0.135
  114    HE1  TYR  13           1HE      TYR  13  -3.535  -1.519   2.093
  115    HE2  TYR  13           2HE      TYR  13  -1.320  -0.078  -1.256
  116    HH   TYR  13           HH       TYR  13  -3.817  -0.901  -1.093
  117    H    PHE  14           H        PHE  14   1.895  -1.267   5.251
  118    HA   PHE  14           HA       PHE  14  -0.383   0.252   6.050
  119   1HB   PHE  14          2HB       PHE  14   1.716  -1.277   7.562
  120   2HB   PHE  14          1HB       PHE  14   0.429  -0.416   8.382
  121    HD1  PHE  14           1HD      PHE  14   0.100  -2.790   9.329
  122    HD2  PHE  14           2HD      PHE  14  -0.694  -1.761   5.272
  123    HE1  PHE  14           1HE      PHE  14  -1.338  -4.774   9.106
  124    HE2  PHE  14           2HE      PHE  14  -2.133  -3.740   5.049
  125    HZ   PHE  14           HZ       PHE  14  -2.456  -5.257   6.963
  126    H    LYS  15           H        LYS  15   3.110   0.633   6.399
  127    HA   LYS  15           HA       LYS  15   3.013   2.994   7.957
  128   1HB   LYS  15          2HB       LYS  15   5.117   1.653   6.299
  129   2HB   LYS  15          1HB       LYS  15   5.401   3.267   6.923
  130   1HG   LYS  15          2HG       LYS  15   4.777   0.820   8.563
  131   2HG   LYS  15          1HG       LYS  15   6.355   1.591   8.390
  132   1HD   LYS  15          2HD       LYS  15   5.827   2.772  10.213
  133   2HD   LYS  15          1HD       LYS  15   4.714   3.669   9.180
  134   1HE   LYS  15          2HE       LYS  15   2.883   2.300   9.821
  135   2HE   LYS  15          1HE       LYS  15   3.945   1.131  10.603
  136   1HZ   LYS  15          1HZ       LYS  15   3.168   2.315  12.384
  137   2HZ   LYS  15          2HZ       LYS  15   3.092   3.779  11.541
  138   3HZ   LYS  15          3HZ       LYS  15   4.587   3.173  12.050
  139    H    ALA  16           H        ALA  16   3.440   2.412   4.489
  140    HA   ALA  16           HA       ALA  16   3.708   5.073   3.693
  141   1HB   ALA  16          1HB       ALA  16   3.026   4.263   1.450
  142   2HB   ALA  16          2HB       ALA  16   2.612   2.711   2.177
  143   3HB   ALA  16          3HB       ALA  16   4.282   3.278   2.200
  144    H    THR  17           H        THR  17   0.828   3.150   4.315
  145    HA   THR  17           HA       THR  17  -0.992   5.029   3.187
  146    HB   THR  17           HB       THR  17  -2.704   3.765   4.538
  147    HG1  THR  17           1HG      THR  17  -2.035   2.001   5.695
  148   1HG2  THR  17          1HG2      THR  17  -2.701   2.722   2.558
  149   2HG2  THR  17          2HG2      THR  17  -1.899   1.437   3.461
  150   3HG2  THR  17          3HG2      THR  17  -0.944   2.577   2.514
  151    H    GLU  18           H        GLU  18   0.497   4.611   6.321
  152    HA   GLU  18           HA       GLU  18  -1.198   6.505   7.649
  153   1HB   GLU  18          2HB       GLU  18   0.939   4.678   8.374
  154   2HB   GLU  18          1HB       GLU  18   1.103   6.227   9.191
  155   1HG   GLU  18          2HG       GLU  18  -0.581   5.791  10.566
  156   2HG   GLU  18          1HG       GLU  18  -1.624   5.256   9.250
  157    H    MET  19           H        MET  19   2.103   6.555   6.377
  158    HA   MET  19           HA       MET  19   2.466   9.320   7.104
  159   1HB   MET  19          2HB       MET  19   4.675   9.078   6.247
  160   2HB   MET  19          1HB       MET  19   4.298   7.625   7.149
  161   1HG   MET  19          2HG       MET  19   3.981   6.380   5.150
  162   2HG   MET  19          1HG       MET  19   4.078   7.833   4.161
  163   1HE   MET  19          1HE       MET  19   6.198   5.018   6.008
  164   2HE   MET  19          2HE       MET  19   7.315   5.018   4.642
  165   3HE   MET  19          3HE       MET  19   5.579   4.891   4.361
  166    H    ASN  20           H        ASN  20   1.168   7.657   4.418
  167    HA   ASN  20           HA       ASN  20   0.229   8.427   2.491
  168   1HB   ASN  20          2HB       ASN  20   1.291  11.186   3.059
  169   2HB   ASN  20          1HB       ASN  20  -0.095  10.735   2.074
  170   1HD2  ASN  20          1HD2      ASN  20   0.961  11.730   5.106
  171   2HD2  ASN  20          2HD2      ASN  20  -0.517  11.512   5.972
  172    H    LEU  21           H        LEU  21   2.811   7.324   2.692
  173    HA   LEU  21           HA       LEU  21   4.843   8.611   1.305
  174   1HB   LEU  21          2HB       LEU  21   4.720   6.303   2.539
  175   2HB   LEU  21          1HB       LEU  21   4.339   5.680   0.948
  176    HG   LEU  21           HG       LEU  21   6.786   7.355   1.335
  177   1HD1  LEU  21          1HD1      LEU  21   6.289   4.718   2.496
  178   2HD1  LEU  21          2HD1      LEU  21   7.530   5.915   2.869
  179   3HD1  LEU  21          3HD1      LEU  21   7.748   4.816   1.508
  180   1HD2  LEU  21          1HD2      LEU  21   5.605   5.834  -0.784
  181   2HD2  LEU  21          2HD2      LEU  21   7.172   5.137  -0.376
  182   3HD2  LEU  21          3HD2      LEU  21   7.052   6.840  -0.813
  183    H    ASN  22           H        ASN  22   5.611   8.220  -0.913
  184    HA   ASN  22           HA       ASN  22   3.958   9.029  -2.899
  185   1HB   ASN  22          2HB       ASN  22   6.501   8.625  -2.936
  186   2HB   ASN  22          1HB       ASN  22   6.100   7.003  -3.492
  187   1HD2  ASN  22          1HD2      ASN  22   7.188   7.455  -5.443
  188   2HD2  ASN  22          2HD2      ASN  22   6.447   8.412  -6.676
  189    H    ARG  23           H        ARG  23   2.429   8.228  -4.203
  190    HA   ARG  23           HA       ARG  23   1.026   5.919  -3.596
  191   1HB   ARG  23          2HB       ARG  23   0.397   7.988  -5.055
  192   2HB   ARG  23          1HB       ARG  23   1.015   7.013  -6.382
  193   1HG   ARG  23          2HG       ARG  23  -1.208   6.483  -6.444
  194   2HG   ARG  23          1HG       ARG  23  -0.589   5.196  -5.409
  195   1HD   ARG  23          2HD       ARG  23  -2.517   5.989  -4.323
  196   2HD   ARG  23          1HD       ARG  23  -1.164   6.705  -3.448
  197    HE   ARG  23           HE       ARG  23  -1.909   8.524  -5.400
  198   1HH1  ARG  23          1HH1      ARG  23  -3.353   7.058  -2.570
  199   2HH1  ARG  23          2HH1      ARG  23  -4.374   8.416  -2.241
  200   1HH2  ARG  23          1HH2      ARG  23  -3.253  10.304  -4.959
  201   2HH2  ARG  23          2HH2      ARG  23  -4.318  10.256  -3.593
  202    H    ASP  24           H        ASP  24   3.854   6.278  -5.573
  203    HA   ASP  24           HA       ASP  24   3.534   3.907  -7.086
  204   1HB   ASP  24          2HB       ASP  24   5.843   5.715  -6.473
  205   2HB   ASP  24          1HB       ASP  24   6.143   4.160  -7.245
  206    H    PHE  25           H        PHE  25   4.962   4.593  -3.950
  207    HA   PHE  25           HA       PHE  25   6.093   1.975  -3.645
  208   1HB   PHE  25          2HB       PHE  25   6.741   4.217  -2.443
  209   2HB   PHE  25          1HB       PHE  25   5.457   3.769  -1.323
  210    HD1  PHE  25           1HD      PHE  25   7.960   1.636  -3.069
  211    HD2  PHE  25           2HD      PHE  25   6.524   3.161   0.636
  212    HE1  PHE  25           1HE      PHE  25   9.522   0.169  -1.864
  213    HE2  PHE  25           2HE      PHE  25   8.086   1.696   1.848
  214    HZ   PHE  25           HZ       PHE  25   9.589   0.198   0.596
  215    H    ILE  26           H        ILE  26   3.183   3.653  -2.589
  216    HA   ILE  26           HA       ILE  26   2.113   1.610  -0.979
  217    HB   ILE  26           HB       ILE  26   0.742   3.801  -2.551
  218   1HG1  ILE  26          2HG1      ILE  26   1.505   3.555   0.367
  219   2HG1  ILE  26          1HG1      ILE  26   2.255   4.614  -0.822
  220   1HG2  ILE  26          1HG2      ILE  26  -0.872   2.036  -2.131
  221   2HG2  ILE  26          2HG2      ILE  26  -1.212   3.416  -1.086
  222   3HG2  ILE  26          3HG2      ILE  26  -0.415   1.987  -0.428
  223   1HD1  ILE  26          1HD1      ILE  26   0.061   5.773  -1.057
  224   2HD1  ILE  26          2HD1      ILE  26   0.806   5.923   0.535
  225   3HD1  ILE  26          3HD1      ILE  26  -0.531   4.800   0.289
  226    H    GLU  27           H        GLU  27   1.744   2.358  -4.431
  227    HA   GLU  27           HA       GLU  27  -0.026   0.174  -4.930
  228   1HB   GLU  27          2HB       GLU  27   0.630   2.418  -6.316
  229   2HB   GLU  27          1HB       GLU  27   1.579   1.220  -7.180
  230   1HG   GLU  27          2HG       GLU  27  -0.428  -0.096  -7.586
  231   2HG   GLU  27          1HG       GLU  27  -1.388   1.084  -6.696
  232    H    LEU  28           H        LEU  28   3.426   0.667  -5.010
  233    HA   LEU  28           HA       LEU  28   4.110  -1.708  -6.390
  234   1HB   LEU  28          2HB       LEU  28   5.782  -0.082  -6.359
  235   2HB   LEU  28          1HB       LEU  28   5.561   0.258  -4.656
  236    HG   LEU  28           HG       LEU  28   6.674  -2.396  -5.473
  237   1HD1  LEU  28          1HD1      LEU  28   8.949  -1.348  -5.292
  238   2HD1  LEU  28          2HD1      LEU  28   8.158   0.222  -5.423
  239   3HD1  LEU  28          3HD1      LEU  28   8.047  -0.935  -6.749
  240   1HD2  LEU  28          1HD2      LEU  28   8.015  -1.749  -3.316
  241   2HD2  LEU  28          2HD2      LEU  28   6.363  -2.352  -3.197
  242   3HD2  LEU  28          3HD2      LEU  28   6.681  -0.621  -3.079
  243    H    ILE  29           H        ILE  29   3.878  -0.898  -2.939
  244    HA   ILE  29           HA       ILE  29   4.619  -3.490  -2.035
  245    HB   ILE  29           HB       ILE  29   2.978  -1.436  -0.543
  246   1HG1  ILE  29          2HG1      ILE  29   5.882  -1.691  -0.025
  247   2HG1  ILE  29          1HG1      ILE  29   5.443  -0.944  -1.556
  248   1HG2  ILE  29          1HG2      ILE  29   3.718  -2.536   1.444
  249   2HG2  ILE  29          2HG2      ILE  29   4.795  -3.586   0.525
  250   3HG2  ILE  29          3HG2      ILE  29   3.048  -3.758   0.365
  251   1HD1  ILE  29          1HD1      ILE  29   3.804   0.309   0.273
  252   2HD1  ILE  29          2HD1      ILE  29   5.288   0.955  -0.426
  253   3HD1  ILE  29          3HD1      ILE  29   5.335   0.123   1.128
  254    H    GLU  30           H        GLU  30   1.615  -1.957  -2.953
  255    HA   GLU  30           HA       GLU  30  -0.071  -4.049  -1.938
  256   1HB   GLU  30          2HB       GLU  30  -0.651  -1.551  -2.443
  257   2HB   GLU  30          1HB       GLU  30  -0.917  -2.130  -4.080
  258   1HG   GLU  30          2HG       GLU  30  -2.368  -3.935  -2.760
  259   2HG   GLU  30          1HG       GLU  30  -2.483  -2.594  -1.620
  260    H    ASN  31           H        ASN  31   1.517  -3.280  -4.955
  261    HA   ASN  31           HA       ASN  31   0.102  -5.131  -6.575
  262   1HB   ASN  31          2HB       ASN  31   2.627  -3.553  -6.845
  263   2HB   ASN  31          1HB       ASN  31   2.333  -4.870  -7.975
  264   1HD2  ASN  31          1HD2      ASN  31   2.099  -3.535  -9.735
  265   2HD2  ASN  31          2HD2      ASN  31   0.734  -2.498  -9.950
  266    H    GLU  32           H        GLU  32   2.871  -5.375  -4.469
  267    HA   GLU  32           HA       GLU  32   3.640  -7.986  -5.429
  268   1HB   GLU  32          2HB       GLU  32   5.330  -6.470  -4.487
  269   2HB   GLU  32          1HB       GLU  32   4.480  -6.466  -2.948
  270   1HG   GLU  32          2HG       GLU  32   6.395  -7.927  -2.844
  271   2HG   GLU  32          1HG       GLU  32   4.908  -8.865  -2.712
  272    H    ILE  33           H        ILE  33   2.017  -6.617  -2.614
  273    HA   ILE  33           HA       ILE  33   1.515  -9.053  -1.273
  274    HB   ILE  33           HB       ILE  33   0.055  -6.401  -1.177
  275   1HG1  ILE  33          2HG1      ILE  33   1.933  -7.547   0.880
  276   2HG1  ILE  33          1HG1      ILE  33   2.511  -6.574  -0.469
  277   1HG2  ILE  33          1HG2      ILE  33  -1.496  -7.292   0.134
  278   2HG2  ILE  33          2HG2      ILE  33  -0.260  -7.890   1.240
  279   3HG2  ILE  33          3HG2      ILE  33  -0.789  -8.884  -0.116
  280   1HD1  ILE  33          1HD1      ILE  33   0.485  -5.659   1.555
  281   2HD1  ILE  33          2HD1      ILE  33   1.220  -4.691   0.277
  282   3HD1  ILE  33          3HD1      ILE  33   2.208  -5.291   1.610
  283    H    LYS  34           H        LYS  34  -0.158  -7.258  -3.790
  284    HA   LYS  34           HA       LYS  34  -2.572  -8.732  -3.742
  285   1HB   LYS  34          2HB       LYS  34  -1.228  -6.857  -5.623
  286   2HB   LYS  34          1HB       LYS  34  -2.486  -7.890  -6.290
  287   1HG   LYS  34          2HG       LYS  34  -3.977  -7.052  -4.424
  288   2HG   LYS  34          1HG       LYS  34  -2.731  -5.842  -4.108
  289   1HD   LYS  34          2HD       LYS  34  -2.923  -5.107  -6.474
  290   2HD   LYS  34          1HD       LYS  34  -4.266  -6.235  -6.675
  291   1HE   LYS  34          2HE       LYS  34  -4.954  -4.810  -4.411
  292   2HE   LYS  34          1HE       LYS  34  -4.206  -3.596  -5.448
  293   1HZ   LYS  34          1HZ       LYS  34  -6.510  -3.654  -5.944
  294   2HZ   LYS  34          2HZ       LYS  34  -6.516  -5.338  -6.098
  295   3HZ   LYS  34          3HZ       LYS  34  -5.715  -4.387  -7.246
  296    H    ARG  35           H        ARG  35   0.383  -9.004  -5.690
  297    HA   ARG  35           HA       ARG  35  -0.489 -11.301  -7.134
  298   1HB   ARG  35          2HB       ARG  35   1.433  -9.544  -7.614
  299   2HB   ARG  35          1HB       ARG  35   2.412 -10.716  -6.742
  300   1HG   ARG  35          2HG       ARG  35   2.704 -11.595  -8.785
  301   2HG   ARG  35          1HG       ARG  35   1.143 -12.351  -8.463
  302   1HD   ARG  35          2HD       ARG  35   0.132 -11.176 -10.071
  303   2HD   ARG  35          1HD       ARG  35   0.875  -9.665  -9.547
  304    HE   ARG  35           HE       ARG  35   2.307  -9.882 -11.294
  305   1HH1  ARG  35          1HH1      ARG  35   1.258 -13.098 -10.394
  306   2HH1  ARG  35          2HH1      ARG  35   2.170 -13.874 -11.645
  307   1HH2  ARG  35          1HH2      ARG  35   3.497 -10.911 -12.934
  308   2HH2  ARG  35          2HH2      ARG  35   3.438 -12.635 -13.085
  309    H    ARG  36           H        ARG  36   0.996 -10.787  -4.043
  310    HA   ARG  36           HA       ARG  36   1.964 -13.479  -3.750
  311   1HB   ARG  36          2HB       ARG  36   1.829 -11.052  -2.006
  312   2HB   ARG  36          1HB       ARG  36   2.126 -12.617  -1.270
  313   1HG   ARG  36          2HG       ARG  36   3.932 -12.700  -3.256
  314   2HG   ARG  36          1HG       ARG  36   3.869 -10.961  -2.969
  315   1HD   ARG  36          2HD       ARG  36   5.001 -11.148  -1.056
  316   2HD   ARG  36          1HD       ARG  36   3.973 -12.463  -0.489
  317    HE   ARG  36           HE       ARG  36   5.543 -13.969  -1.214
  318   1HH1  ARG  36          1HH1      ARG  36   6.292 -10.827  -2.558
  319   2HH1  ARG  36          2HH1      ARG  36   7.834 -11.324  -3.168
  320   1HH2  ARG  36          1HH2      ARG  36   7.569 -14.612  -2.018
  321   2HH2  ARG  36          2HH2      ARG  36   8.558 -13.469  -2.862
  322    H    SER  37           H        SER  37  -1.125 -12.384  -3.839
  323    HA   SER  37           HA       SER  37  -3.118 -13.189  -3.103
  324   1HB   SER  37          2HB       SER  37  -1.992 -15.378  -3.733
  325   2HB   SER  37          1HB       SER  37  -1.583 -15.562  -2.028
  326    HG   SER  37           HG       SER  37  -3.790 -16.300  -3.161
  327    H    LEU  38           H        LEU  38  -1.543 -11.475  -1.431
  328    HA   LEU  38           HA       LEU  38  -2.530 -12.293   1.229
  329   1HB   LEU  38          2HB       LEU  38   0.037 -12.176   0.723
  330   2HB   LEU  38          1HB       LEU  38  -0.206 -10.451   0.904
  331    HG   LEU  38           HG       LEU  38  -1.245 -10.975   3.168
  332   1HD1  LEU  38          1HD1      LEU  38  -1.285 -13.511   2.382
  333   2HD1  LEU  38          2HD1      LEU  38  -1.127 -13.053   4.077
  334   3HD1  LEU  38          3HD1      LEU  38   0.304 -13.501   3.148
  335   1HD2  LEU  38          1HD2      LEU  38   0.992 -10.013   2.873
  336   2HD2  LEU  38          2HD2      LEU  38   1.664 -11.639   2.742
  337   3HD2  LEU  38          3HD2      LEU  38   0.919 -11.112   4.251
  338    H    GLY  39           H        GLY  39  -3.617 -10.526  -1.069
  339   1HA   GLY  39          2HA       GLY  39  -3.606  -7.837  -0.245
  340   2HA   GLY  39          1HA       GLY  39  -4.855  -8.601  -1.224
  341    H    HIS  40           H        HIS  40  -5.438 -10.601   0.872
  342    HA   HIS  40           HA       HIS  40  -7.536  -9.296   2.176
  343   1HB   HIS  40          2HB       HIS  40  -7.535 -11.344   3.677
  344   2HB   HIS  40          1HB       HIS  40  -7.658 -11.663   1.950
  345    HD1  HIS  40           1HD      HIS  40  -6.176 -13.472   1.169
  346    HD2  HIS  40           2HD      HIS  40  -4.648 -11.580   4.538
  347    HE1  HIS  40           1HE      HIS  40  -4.061 -14.710   1.735
  348    HE2  HIS  40           2HE      HIS  40  -3.197 -13.597   3.823
  349    H    ILE  41           H        ILE  41  -4.182  -9.660   3.025
  350    HA   ILE  41           HA       ILE  41  -4.449  -8.985   5.777
  351    HB   ILE  41           HB       ILE  41  -2.494 -10.186   4.548
  352   1HG1  ILE  41          2HG1      ILE  41  -0.918  -9.522   6.303
  353   2HG1  ILE  41          1HG1      ILE  41  -1.929  -8.130   6.683
  354   1HG2  ILE  41          1HG2      ILE  41  -2.184  -7.891   3.197
  355   2HG2  ILE  41          2HG2      ILE  41  -0.881  -9.042   3.477
  356   3HG2  ILE  41          3HG2      ILE  41  -1.045  -7.626   4.515
  357   1HD1  ILE  41          1HD1      ILE  41  -2.123 -10.233   8.135
  358   2HD1  ILE  41          2HD1      ILE  41  -3.027 -10.909   6.780
  359   3HD1  ILE  41          3HD1      ILE  41  -3.608  -9.454   7.590
  360    H    ILE  42           H        ILE  42  -4.117  -7.197   2.806
  361    HA   ILE  42           HA       ILE  42  -3.653  -4.680   4.188
  362    HB   ILE  42           HB       ILE  42  -3.087  -3.723   2.152
  363   1HG1  ILE  42          2HG1      ILE  42  -3.756  -5.392   0.011
  364   2HG1  ILE  42          1HG1      ILE  42  -5.192  -5.386   1.021
  365   1HG2  ILE  42          1HG2      ILE  42  -1.540  -5.510   2.732
  366   2HG2  ILE  42          2HG2      ILE  42  -1.620  -5.243   0.989
  367   3HG2  ILE  42          3HG2      ILE  42  -2.454  -6.618   1.711
  368   1HD1  ILE  42          1HD1      ILE  42  -3.800  -2.910   0.052
  369   2HD1  ILE  42          2HD1      ILE  42  -5.347  -3.005   0.892
  370   3HD1  ILE  42          3HD1      ILE  42  -5.187  -3.657  -0.739
  371    H    SER  43           H        SER  43  -6.221  -6.456   2.701
  372    HA   SER  43           HA       SER  43  -8.459  -6.148   2.685
  373   1HB   SER  43          2HB       SER  43  -7.995  -4.965   4.954
  374   2HB   SER  43          1HB       SER  43  -8.187  -3.470   4.039
  375    HG   SER  43           HG       SER  43 -10.121  -4.481   5.095
  376    H    VAL  44           H        VAL  44  -7.756  -5.906   0.404
  377    HA   VAL  44           HA       VAL  44  -7.592  -3.318  -0.775
  378    HB   VAL  44           HB       VAL  44  -8.427  -5.657  -2.436
  379   1HG1  VAL  44          1HG1      VAL  44  -8.039  -3.451  -3.430
  380   2HG1  VAL  44          2HG1      VAL  44  -6.909  -4.659  -4.041
  381   3HG1  VAL  44          3HG1      VAL  44  -6.378  -3.483  -2.837
  382   1HG2  VAL  44          1HG2      VAL  44  -6.081  -5.677  -0.717
  383   2HG2  VAL  44          2HG2      VAL  44  -5.667  -5.863  -2.418
  384   3HG2  VAL  44          3HG2      VAL  44  -6.801  -6.979  -1.658
  385    H    SER  45           H        SER  45  -9.101  -2.309  -2.187
  386    HA   SER  45           HA       SER  45 -11.833  -2.605  -1.287
  387   1HB   SER  45          2HB       SER  45 -12.116  -0.680  -3.055
  388   2HB   SER  45          1HB       SER  45 -11.308  -0.355  -1.522
  389    HG   SER  45           HG       SER  45 -10.249  -0.542  -4.095
  390    H    SER  46           H        SER  46 -12.510  -4.579  -2.115
  391    HA   SER  46           HA       SER  46 -12.773  -4.693  -5.050
  392   1HB   SER  46          2HB       SER  46 -12.488  -6.967  -3.074
  393   2HB   SER  46          1HB       SER  46 -12.850  -7.176  -4.787
  394    HG   SER  46           HG       SER  46 -10.531  -5.947  -3.702
  Start of MODEL   23
    1   1H    MET   1          1HT       MET   1  12.713  -5.063  -0.911
    2   2H    MET   1          2HT       MET   1  13.258  -3.805  -1.944
    3   3H    MET   1          3HT       MET   1  13.625  -5.440  -2.312
    4    HA   MET   1           HA       MET   1  10.939  -4.236  -2.244
    5   1HB   MET   1          2HB       MET   1  12.878  -3.869  -4.122
    6   2HB   MET   1          1HB       MET   1  12.096  -5.317  -4.737
    7   1HG   MET   1          2HG       MET   1  10.510  -2.899  -3.968
    8   2HG   MET   1          1HG       MET   1  11.264  -3.043  -5.554
    9   1HE   MET   1          1HE       MET   1   8.735  -3.669  -3.215
   10   2HE   MET   1          2HE       MET   1   8.097  -5.292  -3.479
   11   3HE   MET   1          3HE       MET   1   7.389  -3.916  -4.327
   12    H    ARG   2           H        ARG   2  12.688  -6.949  -3.763
   13    HA   ARG   2           HA       ARG   2  10.375  -8.655  -3.454
   14   1HB   ARG   2          2HB       ARG   2  11.868 -10.350  -4.589
   15   2HB   ARG   2          1HB       ARG   2  11.528  -8.893  -5.512
   16   1HG   ARG   2          2HG       ARG   2  13.675  -8.252  -5.536
   17   2HG   ARG   2          1HG       ARG   2  13.950  -8.753  -3.867
   18   1HD   ARG   2          2HD       ARG   2  15.061 -10.516  -4.636
   19   2HD   ARG   2          1HD       ARG   2  13.556 -11.119  -5.326
   20    HE   ARG   2           HE       ARG   2  14.617  -9.258  -7.105
   21   1HH1  ARG   2          1HH1      ARG   2  15.444 -12.403  -5.817
   22   2HH1  ARG   2          2HH1      ARG   2  16.322 -12.884  -7.229
   23   1HH2  ARG   2          1HH2      ARG   2  15.771  -9.896  -8.957
   24   2HH2  ARG   2          2HH2      ARG   2  16.508 -11.463  -9.010
   25    H    LYS   3           H        LYS   3  13.533  -8.274  -1.976
   26    HA   LYS   3           HA       LYS   3  13.264 -10.727  -0.453
   27   1HB   LYS   3          2HB       LYS   3  15.455 -10.137   0.483
   28   2HB   LYS   3          1HB       LYS   3  15.469 -10.094  -1.275
   29   1HG   LYS   3          2HG       LYS   3  14.822  -7.518  -0.082
   30   2HG   LYS   3          1HG       LYS   3  16.403  -8.131   0.405
   31   1HD   LYS   3          2HD       LYS   3  16.988  -8.450  -1.964
   32   2HD   LYS   3          1HD       LYS   3  15.418  -7.792  -2.429
   33   1HE   LYS   3          2HE       LYS   3  16.559  -5.854  -2.557
   34   2HE   LYS   3          1HE       LYS   3  16.303  -5.824  -0.813
   35   1HZ   LYS   3          1HZ       LYS   3  18.547  -5.480  -0.953
   36   2HZ   LYS   3          2HZ       LYS   3  18.742  -6.455  -2.322
   37   3HZ   LYS   3          3HZ       LYS   3  18.516  -7.166  -0.804
   38    H    LEU   4           H        LEU   4  11.193  -9.869   0.495
   39    HA   LEU   4           HA       LEU   4  11.790  -8.737   3.106
   40   1HB   LEU   4          2HB       LEU   4   9.467  -7.551   1.654
   41   2HB   LEU   4          1HB       LEU   4  10.369  -6.912   3.012
   42    HG   LEU   4           HG       LEU   4  11.592  -7.117   0.272
   43   1HD1  LEU   4          1HD1      LEU   4  10.362  -4.597   1.305
   44   2HD1  LEU   4          2HD1      LEU   4   9.386  -5.769   0.419
   45   3HD1  LEU   4          3HD1      LEU   4  10.797  -5.038  -0.346
   46   1HD2  LEU   4          1HD2      LEU   4  12.747  -6.608   2.649
   47   2HD2  LEU   4          2HD2      LEU   4  12.272  -4.976   2.180
   48   3HD2  LEU   4          3HD2      LEU   4  13.312  -5.930   1.122
   49    H    SER   5           H        SER   5  10.342  -9.331   4.696
   50    HA   SER   5           HA       SER   5   8.687 -11.616   4.095
   51   1HB   SER   5          2HB       SER   5   9.392 -10.165   6.643
   52   2HB   SER   5          1HB       SER   5   8.211 -11.474   6.608
   53    HG   SER   5           HG       SER   5  10.574 -11.945   7.032
   54    H    ASP   6           H        ASP   6   6.428 -11.746   4.911
   55    HA   ASP   6           HA       ASP   6   4.839  -9.727   3.776
   56   1HB   ASP   6          2HB       ASP   6   3.598 -11.342   5.956
   57   2HB   ASP   6          1HB       ASP   6   2.985 -10.942   4.363
   58    H    GLU   7           H        GLU   7   6.235 -10.049   6.932
   59    HA   GLU   7           HA       GLU   7   4.546  -8.103   8.188
   60   1HB   GLU   7          2HB       GLU   7   6.720  -9.857   8.970
   61   2HB   GLU   7          1HB       GLU   7   6.933  -8.251   9.651
   62   1HG   GLU   7          2HG       GLU   7   5.735  -9.571  11.222
   63   2HG   GLU   7          1HG       GLU   7   4.618  -8.388  10.542
   64    H    LEU   8           H        LEU   8   7.642  -8.094   6.558
   65    HA   LEU   8           HA       LEU   8   8.176  -5.325   7.172
   66   1HB   LEU   8          2HB       LEU   8   9.543  -7.461   5.610
   67   2HB   LEU   8          1HB       LEU   8   9.967  -5.786   5.303
   68    HG   LEU   8           HG       LEU   8  11.473  -6.866   6.918
   69   1HD1  LEU   8          1HD1      LEU   8   9.813  -4.721   8.215
   70   2HD1  LEU   8          2HD1      LEU   8  11.013  -4.423   6.957
   71   3HD1  LEU   8          3HD1      LEU   8  11.513  -5.088   8.512
   72   1HD2  LEU   8          1HD2      LEU   8   9.970  -8.417   7.970
   73   2HD2  LEU   8          2HD2      LEU   8   8.979  -7.095   8.588
   74   3HD2  LEU   8          3HD2      LEU   8  10.618  -7.330   9.197
   75    H    LEU   9           H        LEU   9   6.865  -7.207   4.535
   76    HA   LEU   9           HA       LEU   9   6.832  -5.061   2.643
   77   1HB   LEU   9          2HB       LEU   9   6.919  -7.334   1.846
   78   2HB   LEU   9          1HB       LEU   9   5.448  -7.739   2.706
   79    HG   LEU   9           HG       LEU   9   4.370  -5.914   1.169
   80   1HD1  LEU   9          1HD1      LEU   9   6.741  -6.743  -0.494
   81   2HD1  LEU   9          2HD1      LEU   9   6.530  -5.155   0.245
   82   3HD1  LEU   9          3HD1      LEU   9   5.405  -5.706  -0.996
   83   1HD2  LEU   9          1HD2      LEU   9   4.032  -7.684  -0.589
   84   2HD2  LEU   9          2HD2      LEU   9   3.658  -8.173   1.063
   85   3HD2  LEU   9          3HD2      LEU   9   5.169  -8.686   0.314
   86    H    ILE  10           H        ILE  10   4.423  -6.597   4.730
   87    HA   ILE  10           HA       ILE  10   2.304  -4.917   3.874
   88    HB   ILE  10           HB       ILE  10   2.562  -6.624   6.345
   89   1HG1  ILE  10          2HG1      ILE  10   0.849  -7.145   3.935
   90   2HG1  ILE  10          1HG1      ILE  10   2.552  -7.594   3.939
   91   1HG2  ILE  10          1HG2      ILE  10   0.174  -6.392   6.638
   92   2HG2  ILE  10          2HG2      ILE  10   0.065  -5.362   5.210
   93   3HG2  ILE  10          3HG2      ILE  10   0.915  -4.791   6.645
   94   1HD1  ILE  10          1HD1      ILE  10   1.092  -8.476   6.296
   95   2HD1  ILE  10          2HD1      ILE  10   2.194  -9.356   5.239
   96   3HD1  ILE  10          3HD1      ILE  10   0.507  -9.155   4.782
   97    H    GLU  11           H        GLU  11   4.709  -4.742   6.404
   98    HA   GLU  11           HA       GLU  11   3.572  -2.630   7.883
   99   1HB   GLU  11          2HB       GLU  11   6.281  -3.814   7.608
  100   2HB   GLU  11          1HB       GLU  11   6.178  -2.210   8.309
  101   1HG   GLU  11          2HG       GLU  11   4.611  -4.571   9.315
  102   2HG   GLU  11          1HG       GLU  11   6.186  -4.095   9.950
  103    H    SER  12           H        SER  12   5.337  -2.748   4.884
  104    HA   SER  12           HA       SER  12   5.991   0.040   4.812
  105   1HB   SER  12          2HB       SER  12   5.735  -1.764   2.402
  106   2HB   SER  12          1HB       SER  12   6.776  -0.355   2.604
  107    HG   SER  12           HG       SER  12   7.743  -2.550   2.827
  108    H    TYR  13           H        TYR  13   3.480  -1.999   3.358
  109    HA   TYR  13           HA       TYR  13   2.126   0.071   1.995
  110   1HB   TYR  13          2HB       TYR  13   1.801  -2.373   1.577
  111   2HB   TYR  13          1HB       TYR  13   0.949  -2.486   3.111
  112    HD1  TYR  13           1HD      TYR  13  -1.353  -2.369   3.071
  113    HD2  TYR  13           2HD      TYR  13   0.842  -0.488  -0.050
  114    HE1  TYR  13           1HE      TYR  13  -3.461  -1.777   1.953
  115    HE2  TYR  13           2HE      TYR  13  -1.260   0.110  -1.176
  116    HH   TYR  13           HH       TYR  13  -4.240  -1.233  -0.341
  117    H    PHE  14           H        PHE  14   1.890  -1.253   5.239
  118    HA   PHE  14           HA       PHE  14  -0.409   0.261   5.995
  119   1HB   PHE  14          2HB       PHE  14   1.654  -1.282   7.545
  120   2HB   PHE  14          1HB       PHE  14   0.345  -0.430   8.339
  121    HD1  PHE  14           1HD      PHE  14  -0.564  -1.857   5.153
  122    HD2  PHE  14           2HD      PHE  14  -0.134  -2.711   9.304
  123    HE1  PHE  14           1HE      PHE  14  -1.989  -3.842   4.890
  124    HE2  PHE  14           2HE      PHE  14  -1.561  -4.697   9.043
  125    HZ   PHE  14           HZ       PHE  14  -2.489  -5.269   6.833
  126    H    LYS  15           H        LYS  15   3.071   0.579   6.556
  127    HA   LYS  15           HA       LYS  15   2.945   2.941   8.092
  128   1HB   LYS  15          2HB       LYS  15   5.116   1.625   6.480
  129   2HB   LYS  15          1HB       LYS  15   5.382   3.177   7.254
  130   1HG   LYS  15          2HG       LYS  15   4.482   0.716   8.730
  131   2HG   LYS  15          1HG       LYS  15   6.171   1.195   8.552
  132   1HD   LYS  15          2HD       LYS  15   5.985   2.603  10.265
  133   2HD   LYS  15          1HD       LYS  15   4.658   3.448   9.466
  134   1HE   LYS  15          2HE       LYS  15   3.056   1.913  10.408
  135   2HE   LYS  15          1HE       LYS  15   4.348   0.929  11.095
  136   1HZ   LYS  15          1HZ       LYS  15   4.942   3.223  12.215
  137   2HZ   LYS  15          2HZ       LYS  15   3.810   2.170  12.899
  138   3HZ   LYS  15          3HZ       LYS  15   3.288   3.500  11.994
  139    H    ALA  16           H        ALA  16   3.393   2.346   4.638
  140    HA   ALA  16           HA       ALA  16   3.817   5.011   3.872
  141   1HB   ALA  16          1HB       ALA  16   3.046   4.172   1.596
  142   2HB   ALA  16          2HB       ALA  16   2.844   2.602   2.371
  143   3HB   ALA  16          3HB       ALA  16   4.435   3.361   2.319
  144    H    THR  17           H        THR  17   0.851   3.151   4.303
  145    HA   THR  17           HA       THR  17  -0.864   5.083   3.129
  146    HB   THR  17           HB       THR  17  -2.666   3.880   4.400
  147    HG1  THR  17           1HG      THR  17  -2.140   2.572   5.940
  148   1HG2  THR  17          1HG2      THR  17  -2.667   2.704   2.522
  149   2HG2  THR  17          2HG2      THR  17  -1.725   1.503   3.405
  150   3HG2  THR  17          3HG2      THR  17  -0.907   2.712   2.415
  151    H    GLU  18           H        GLU  18   0.485   4.643   6.323
  152    HA   GLU  18           HA       GLU  18  -1.209   6.552   7.606
  153   1HB   GLU  18          2HB       GLU  18   1.011   4.803   8.356
  154   2HB   GLU  18          1HB       GLU  18   1.029   6.344   9.203
  155   1HG   GLU  18          2HG       GLU  18  -1.539   4.866   9.064
  156   2HG   GLU  18          1HG       GLU  18  -0.277   4.244  10.126
  157    H    MET  19           H        MET  19   2.126   6.625   6.419
  158    HA   MET  19           HA       MET  19   2.439   9.407   7.091
  159   1HB   MET  19          2HB       MET  19   4.662   9.173   6.235
  160   2HB   MET  19          1HB       MET  19   4.294   7.760   7.205
  161   1HG   MET  19          2HG       MET  19   3.952   6.436   5.237
  162   2HG   MET  19          1HG       MET  19   4.133   7.851   4.205
  163   1HE   MET  19          1HE       MET  19   5.790   4.977   6.039
  164   2HE   MET  19          2HE       MET  19   7.303   4.968   5.134
  165   3HE   MET  19          3HE       MET  19   5.764   4.882   4.279
  166    H    ASN  20           H        ASN  20   1.167   7.703   4.431
  167    HA   ASN  20           HA       ASN  20   0.254   8.430   2.477
  168   1HB   ASN  20          2HB       ASN  20   1.322  11.195   3.007
  169   2HB   ASN  20          1HB       ASN  20  -0.041  10.734   1.996
  170   1HD2  ASN  20          1HD2      ASN  20  -2.020  10.495   2.889
  171   2HD2  ASN  20          2HD2      ASN  20  -2.372  10.795   4.554
  172    H    LEU  21           H        LEU  21   2.767   7.265   2.664
  173    HA   LEU  21           HA       LEU  21   4.856   8.506   1.309
  174   1HB   LEU  21          2HB       LEU  21   4.653   6.197   2.538
  175   2HB   LEU  21          1HB       LEU  21   4.281   5.590   0.938
  176    HG   LEU  21           HG       LEU  21   6.773   7.185   1.419
  177   1HD1  LEU  21          1HD1      LEU  21   6.163   4.474   2.371
  178   2HD1  LEU  21          2HD1      LEU  21   7.375   5.629   2.920
  179   3HD1  LEU  21          3HD1      LEU  21   7.680   4.646   1.489
  180   1HD2  LEU  21          1HD2      LEU  21   7.123   5.053  -0.399
  181   2HD2  LEU  21          2HD2      LEU  21   7.054   6.779  -0.751
  182   3HD2  LEU  21          3HD2      LEU  21   5.581   5.811  -0.797
  183    H    ASN  22           H        ASN  22   5.621   8.165  -0.898
  184    HA   ASN  22           HA       ASN  22   3.979   8.981  -2.892
  185   1HB   ASN  22          2HB       ASN  22   6.491   8.690  -2.977
  186   2HB   ASN  22          1HB       ASN  22   6.203   7.001  -3.383
  187   1HD2  ASN  22          1HD2      ASN  22   6.857   9.933  -4.649
  188   2HD2  ASN  22          2HD2      ASN  22   6.227   9.719  -6.243
  189    H    ARG  23           H        ARG  23   2.469   8.180  -4.217
  190    HA   ARG  23           HA       ARG  23   1.076   5.858  -3.648
  191   1HB   ARG  23          2HB       ARG  23   0.307   7.851  -5.010
  192   2HB   ARG  23          1HB       ARG  23   1.164   7.142  -6.372
  193   1HG   ARG  23          2HG       ARG  23  -0.762   6.124  -6.831
  194   2HG   ARG  23          1HG       ARG  23  -0.357   5.046  -5.496
  195   1HD   ARG  23          2HD       ARG  23  -1.858   6.009  -4.079
  196   2HD   ARG  23          1HD       ARG  23  -1.712   7.598  -4.829
  197    HE   ARG  23           HE       ARG  23  -2.938   6.106  -6.733
  198   1HH1  ARG  23          1HH1      ARG  23  -3.634   6.744  -3.363
  199   2HH1  ARG  23          2HH1      ARG  23  -5.346   6.576  -3.562
  200   1HH2  ARG  23          1HH2      ARG  23  -5.187   5.887  -6.983
  201   2HH2  ARG  23          2HH2      ARG  23  -6.226   6.090  -5.612
  202    H    ASP  24           H        ASP  24   3.882   6.278  -5.662
  203    HA   ASP  24           HA       ASP  24   3.614   3.901  -7.159
  204   1HB   ASP  24          2HB       ASP  24   5.306   6.012  -7.283
  205   2HB   ASP  24          1HB       ASP  24   6.360   4.816  -6.536
  206    H    PHE  25           H        PHE  25   5.082   4.597  -4.035
  207    HA   PHE  25           HA       PHE  25   6.205   1.976  -3.731
  208   1HB   PHE  25          2HB       PHE  25   6.861   4.226  -2.543
  209   2HB   PHE  25          1HB       PHE  25   5.595   3.773  -1.407
  210    HD1  PHE  25           1HD      PHE  25   8.120   1.700  -3.190
  211    HD2  PHE  25           2HD      PHE  25   6.644   3.119   0.540
  212    HE1  PHE  25           1HE      PHE  25   9.710   0.239  -2.011
  213    HE2  PHE  25           2HE      PHE  25   8.233   1.661   1.728
  214    HZ   PHE  25           HZ       PHE  25   9.768   0.218   0.451
  215    H    ILE  26           H        ILE  26   3.302   3.663  -2.691
  216    HA   ILE  26           HA       ILE  26   2.239   1.638  -1.046
  217    HB   ILE  26           HB       ILE  26   0.857   3.815  -2.627
  218   1HG1  ILE  26          2HG1      ILE  26   1.657   3.614   0.283
  219   2HG1  ILE  26          1HG1      ILE  26   2.397   4.650  -0.931
  220   1HG2  ILE  26          1HG2      ILE  26  -1.056   3.449  -1.061
  221   2HG2  ILE  26          2HG2      ILE  26  -0.257   1.979  -0.504
  222   3HG2  ILE  26          3HG2      ILE  26  -0.783   2.114  -2.182
  223   1HD1  ILE  26          1HD1      ILE  26   0.202   5.810  -1.162
  224   2HD1  ILE  26          2HD1      ILE  26   0.967   5.987   0.417
  225   3HD1  ILE  26          3HD1      ILE  26  -0.377   4.862   0.208
  226    H    GLU  27           H        GLU  27   1.802   2.384  -4.494
  227    HA   GLU  27           HA       GLU  27   0.036   0.201  -4.966
  228   1HB   GLU  27          2HB       GLU  27   0.698   2.427  -6.377
  229   2HB   GLU  27          1HB       GLU  27   1.636   1.215  -7.234
  230   1HG   GLU  27          2HG       GLU  27  -0.224   0.094  -7.975
  231   2HG   GLU  27          1HG       GLU  27  -1.236   0.685  -6.658
  232    H    LEU  28           H        LEU  28   3.489   0.656  -5.051
  233    HA   LEU  28           HA       LEU  28   4.143  -1.733  -6.424
  234   1HB   LEU  28          2HB       LEU  28   5.834  -0.129  -6.414
  235   2HB   LEU  28          1HB       LEU  28   5.618   0.236  -4.717
  236    HG   LEU  28           HG       LEU  28   6.704  -2.441  -5.495
  237   1HD1  LEU  28          1HD1      LEU  28   8.002  -0.824  -6.799
  238   2HD1  LEU  28          2HD1      LEU  28   8.963  -1.537  -5.504
  239   3HD1  LEU  28          3HD1      LEU  28   8.324   0.097  -5.330
  240   1HD2  LEU  28          1HD2      LEU  28   6.379  -2.333  -3.214
  241   2HD2  LEU  28          2HD2      LEU  28   6.769  -0.615  -3.133
  242   3HD2  LEU  28          3HD2      LEU  28   8.054  -1.801  -3.358
  243    H    ILE  29           H        ILE  29   3.953  -0.893  -2.979
  244    HA   ILE  29           HA       ILE  29   4.654  -3.495  -2.066
  245    HB   ILE  29           HB       ILE  29   3.079  -1.398  -0.564
  246   1HG1  ILE  29          2HG1      ILE  29   5.986  -1.717  -0.096
  247   2HG1  ILE  29          1HG1      ILE  29   5.533  -0.955  -1.616
  248   1HG2  ILE  29          1HG2      ILE  29   3.021  -3.602   0.457
  249   2HG2  ILE  29          2HG2      ILE  29   4.004  -2.500   1.421
  250   3HG2  ILE  29          3HG2      ILE  29   4.780  -3.698   0.386
  251   1HD1  ILE  29          1HD1      ILE  29   5.541   0.121   1.052
  252   2HD1  ILE  29          2HD1      ILE  29   3.959   0.301   0.295
  253   3HD1  ILE  29          3HD1      ILE  29   5.395   0.949  -0.498
  254    H    GLU  30           H        GLU  30   1.675  -1.901  -2.962
  255    HA   GLU  30           HA       GLU  30  -0.045  -3.944  -1.907
  256   1HB   GLU  30          2HB       GLU  30  -0.590  -1.450  -2.416
  257   2HB   GLU  30          1HB       GLU  30  -0.844  -2.011  -4.062
  258   1HG   GLU  30          2HG       GLU  30  -2.376  -3.782  -2.860
  259   2HG   GLU  30          1HG       GLU  30  -2.421  -2.546  -1.605
  260    H    ASN  31           H        ASN  31   1.531  -3.242  -4.947
  261    HA   ASN  31           HA       ASN  31   0.081  -5.098  -6.532
  262   1HB   ASN  31          2HB       ASN  31   2.625  -3.557  -6.838
  263   2HB   ASN  31          1HB       ASN  31   2.306  -4.883  -7.949
  264   1HD2  ASN  31          1HD2      ASN  31   2.234  -3.332  -9.635
  265   2HD2  ASN  31          2HD2      ASN  31   0.821  -2.371  -9.889
  266    H    GLU  32           H        GLU  32   2.821  -5.361  -4.398
  267    HA   GLU  32           HA       GLU  32   3.586  -7.979  -5.344
  268   1HB   GLU  32          2HB       GLU  32   5.151  -6.266  -4.267
  269   2HB   GLU  32          1HB       GLU  32   4.402  -6.698  -2.735
  270   1HG   GLU  32          2HG       GLU  32   6.272  -8.033  -2.757
  271   2HG   GLU  32          1HG       GLU  32   5.036  -9.120  -3.389
  272    H    ILE  33           H        ILE  33   1.921  -6.589  -2.568
  273    HA   ILE  33           HA       ILE  33   1.401  -9.014  -1.216
  274    HB   ILE  33           HB       ILE  33  -0.099  -6.385  -1.154
  275   1HG1  ILE  33          2HG1      ILE  33   1.817  -7.391   0.931
  276   2HG1  ILE  33          1HG1      ILE  33   2.400  -6.530  -0.489
  277   1HG2  ILE  33          1HG2      ILE  33  -0.214  -8.027   1.256
  278   2HG2  ILE  33          2HG2      ILE  33  -0.996  -8.782  -0.130
  279   3HG2  ILE  33          3HG2      ILE  33  -1.500  -7.180   0.399
  280   1HD1  ILE  33          1HD1      ILE  33   0.395  -5.458   1.482
  281   2HD1  ILE  33          2HD1      ILE  33   1.088  -4.593   0.111
  282   3HD1  ILE  33          3HD1      ILE  33   2.116  -5.072   1.462
  283    H    LYS  34           H        LYS  34  -0.210  -7.270  -3.802
  284    HA   LYS  34           HA       LYS  34  -2.631  -8.761  -3.751
  285   1HB   LYS  34          2HB       LYS  34  -1.346  -6.778  -5.524
  286   2HB   LYS  34          1HB       LYS  34  -2.456  -7.881  -6.324
  287   1HG   LYS  34          2HG       LYS  34  -4.203  -7.248  -4.699
  288   2HG   LYS  34          1HG       LYS  34  -3.083  -6.081  -3.995
  289   1HD   LYS  34          2HD       LYS  34  -2.976  -5.439  -6.650
  290   2HD   LYS  34          1HD       LYS  34  -4.660  -5.932  -6.460
  291   1HE   LYS  34          2HE       LYS  34  -4.419  -4.390  -4.289
  292   2HE   LYS  34          1HE       LYS  34  -3.211  -3.618  -5.315
  293   1HZ   LYS  34          1HZ       LYS  34  -5.476  -2.665  -5.507
  294   2HZ   LYS  34          2HZ       LYS  34  -6.008  -4.131  -6.161
  295   3HZ   LYS  34          3HZ       LYS  34  -4.846  -3.215  -6.979
  296    H    ARG  35           H        ARG  35   0.333  -8.970  -5.701
  297    HA   ARG  35           HA       ARG  35  -0.507 -11.275  -7.156
  298   1HB   ARG  35          2HB       ARG  35   1.266  -9.593  -7.857
  299   2HB   ARG  35          1HB       ARG  35   2.338 -10.379  -6.706
  300   1HG   ARG  35          2HG       ARG  35   2.925 -11.754  -8.341
  301   2HG   ARG  35          1HG       ARG  35   1.320 -12.472  -8.208
  302   1HD   ARG  35          2HD       ARG  35   1.450 -10.009  -9.804
  303   2HD   ARG  35          1HD       ARG  35   2.342 -11.373 -10.473
  304    HE   ARG  35           HE       ARG  35  -0.234 -12.208  -9.688
  305   1HH1  ARG  35          1HH1      ARG  35   1.358 -10.309 -12.159
  306   2HH1  ARG  35          2HH1      ARG  35   0.133 -10.606 -13.345
  307   1HH2  ARG  35          1HH2      ARG  35  -1.838 -12.593 -11.252
  308   2HH2  ARG  35          2HH2      ARG  35  -1.679 -11.900 -12.831
  309    H    ARG  36           H        ARG  36   0.969 -10.750  -4.065
  310    HA   ARG  36           HA       ARG  36   1.986 -13.427  -3.784
  311   1HB   ARG  36          2HB       ARG  36   1.838 -10.994  -2.060
  312   2HB   ARG  36          1HB       ARG  36   2.113 -12.550  -1.293
  313   1HG   ARG  36          2HG       ARG  36   4.046 -12.869  -2.864
  314   2HG   ARG  36          1HG       ARG  36   3.824 -11.188  -3.353
  315   1HD   ARG  36          2HD       ARG  36   4.406 -10.373  -1.247
  316   2HD   ARG  36          1HD       ARG  36   4.125 -11.927  -0.465
  317    HE   ARG  36           HE       ARG  36   6.235 -12.063  -2.378
  318   1HH1  ARG  36          1HH1      ARG  36   5.491 -11.063   0.892
  319   2HH1  ARG  36          2HH1      ARG  36   7.119 -11.255   1.447
  320   1HH2  ARG  36          1HH2      ARG  36   8.370 -12.311  -1.639
  321   2HH2  ARG  36          2HH2      ARG  36   8.751 -11.961   0.015
  322    H    SER  37           H        SER  37  -1.124 -12.401  -3.877
  323    HA   SER  37           HA       SER  37  -3.099 -13.247  -3.141
  324   1HB   SER  37          2HB       SER  37  -1.766 -15.417  -3.694
  325   2HB   SER  37          1HB       SER  37  -1.647 -15.593  -1.944
  326    HG   SER  37           HG       SER  37  -3.892 -15.621  -1.832
  327    H    LEU  38           H        LEU  38  -1.572 -11.490  -1.478
  328    HA   LEU  38           HA       LEU  38  -2.516 -12.320   1.194
  329   1HB   LEU  38          2HB       LEU  38   0.038 -12.085   0.651
  330   2HB   LEU  38          1HB       LEU  38  -0.284 -10.370   0.813
  331    HG   LEU  38           HG       LEU  38  -1.242 -10.900   3.103
  332   1HD1  LEU  38          1HD1      LEU  38  -1.305 -13.422   2.431
  333   2HD1  LEU  38          2HD1      LEU  38  -0.932 -12.951   4.089
  334   3HD1  LEU  38          3HD1      LEU  38   0.369 -13.405   2.987
  335   1HD2  LEU  38          1HD2      LEU  38   0.925  -9.850   2.802
  336   2HD2  LEU  38          2HD2      LEU  38   1.676 -11.427   2.564
  337   3HD2  LEU  38          3HD2      LEU  38   0.984 -11.007   4.131
  338    H    GLY  39           H        GLY  39  -3.816 -10.728  -1.031
  339   1HA   GLY  39          2HA       GLY  39  -3.886  -7.993  -0.314
  340   2HA   GLY  39          1HA       GLY  39  -5.106  -8.844  -1.254
  341    H    HIS  40           H        HIS  40  -5.394 -10.780   1.093
  342    HA   HIS  40           HA       HIS  40  -7.589  -9.472   2.317
  343   1HB   HIS  40          2HB       HIS  40  -7.645 -11.476   3.798
  344   2HB   HIS  40          1HB       HIS  40  -7.591 -11.882   2.087
  345    HD1  HIS  40           1HD      HIS  40  -5.626 -13.251   1.275
  346    HD2  HIS  40           2HD      HIS  40  -5.206 -11.983   5.209
  347    HE1  HIS  40           1HE      HIS  40  -3.627 -14.488   2.170
  348    HE2  HIS  40           2HE      HIS  40  -3.442 -13.766   4.577
  349    H    ILE  41           H        ILE  41  -4.221  -9.850   3.135
  350    HA   ILE  41           HA       ILE  41  -4.387  -9.148   5.865
  351    HB   ILE  41           HB       ILE  41  -2.436 -10.223   4.527
  352   1HG1  ILE  41          2HG1      ILE  41  -0.811  -9.481   6.207
  353   2HG1  ILE  41          1HG1      ILE  41  -1.876  -8.150   6.650
  354   1HG2  ILE  41          1HG2      ILE  41  -1.172  -7.556   4.427
  355   2HG2  ILE  41          2HG2      ILE  41  -2.322  -7.941   3.150
  356   3HG2  ILE  41          3HG2      ILE  41  -0.919  -8.973   3.410
  357   1HD1  ILE  41          1HD1      ILE  41  -2.802 -10.989   6.779
  358   2HD1  ILE  41          2HD1      ILE  41  -3.434  -9.575   7.622
  359   3HD1  ILE  41          3HD1      ILE  41  -1.878 -10.262   8.093
  360    H    ILE  42           H        ILE  42  -4.204  -7.316   2.908
  361    HA   ILE  42           HA       ILE  42  -3.922  -4.769   4.304
  362    HB   ILE  42           HB       ILE  42  -3.739  -3.785   2.081
  363   1HG1  ILE  42          2HG1      ILE  42  -4.088  -6.557   0.968
  364   2HG1  ILE  42          1HG1      ILE  42  -5.357  -5.339   0.967
  365   1HG2  ILE  42          1HG2      ILE  42  -2.092  -6.275   2.076
  366   2HG2  ILE  42          2HG2      ILE  42  -1.803  -4.940   3.193
  367   3HG2  ILE  42          3HG2      ILE  42  -1.673  -4.681   1.452
  368   1HD1  ILE  42          1HD1      ILE  42  -2.846  -4.415  -0.186
  369   2HD1  ILE  42          2HD1      ILE  42  -4.495  -4.292  -0.801
  370   3HD1  ILE  42          3HD1      ILE  42  -3.571  -5.774  -1.044
  371    H    SER  43           H        SER  43  -6.251  -6.692   2.585
  372    HA   SER  43           HA       SER  43  -8.492  -6.571   2.421
  373   1HB   SER  43          2HB       SER  43  -8.337  -5.507   4.778
  374   2HB   SER  43          1HB       SER  43  -8.539  -3.968   3.943
  375    HG   SER  43           HG       SER  43 -10.585  -4.442   4.163
  376    H    VAL  44           H        VAL  44  -7.720  -6.173   0.223
  377    HA   VAL  44           HA       VAL  44  -7.583  -3.528  -0.816
  378    HB   VAL  44           HB       VAL  44  -8.241  -5.777  -2.660
  379   1HG1  VAL  44          1HG1      VAL  44  -6.377  -4.638  -3.942
  380   2HG1  VAL  44          2HG1      VAL  44  -6.421  -3.392  -2.696
  381   3HG1  VAL  44          3HG1      VAL  44  -7.849  -3.700  -3.684
  382   1HG2  VAL  44          1HG2      VAL  44  -6.027  -5.902  -0.782
  383   2HG2  VAL  44          2HG2      VAL  44  -5.483  -5.951  -2.454
  384   3HG2  VAL  44          3HG2      VAL  44  -6.652  -7.135  -1.870
  385    H    SER  45           H        SER  45  -9.079  -2.328  -1.927
  386    HA   SER  45           HA       SER  45 -11.862  -3.182  -1.597
  387   1HB   SER  45          2HB       SER  45 -10.472  -0.562  -1.715
  388   2HB   SER  45          1HB       SER  45 -12.087  -0.624  -2.422
  389    HG   SER  45           HG       SER  45 -11.817  -0.151  -0.049
  390    H    SER  46           H        SER  46 -12.106  -4.566  -3.347
  391    HA   SER  46           HA       SER  46 -12.263  -3.216  -5.946
  392   1HB   SER  46          2HB       SER  46 -10.963  -5.904  -5.449
  393   2HB   SER  46          1HB       SER  46 -11.352  -5.265  -7.046
  394    HG   SER  46           HG       SER  46  -9.370  -4.491  -5.246
  Start of MODEL   24
    1   1H    MET   1          1HT       MET   1   8.798  -4.859  -4.451
    2   2H    MET   1          2HT       MET   1  10.438  -4.893  -4.955
    3   3H    MET   1          3HT       MET   1   9.749  -3.435  -4.368
    4    HA   MET   1           HA       MET   1  11.225  -4.637  -2.818
    5   1HB   MET   1          2HB       MET   1   8.444  -3.693  -2.364
    6   2HB   MET   1          1HB       MET   1   9.239  -4.499  -1.020
    7   1HG   MET   1          2HG       MET   1  11.155  -2.738  -1.901
    8   2HG   MET   1          1HG       MET   1   9.656  -1.839  -2.123
    9   1HE   MET   1          1HE       MET   1   8.149  -1.831   1.477
   10   2HE   MET   1          2HE       MET   1   7.886  -3.155   0.342
   11   3HE   MET   1          3HE       MET   1   7.885  -1.487  -0.232
   12    H    ARG   2           H        ARG   2  11.301  -6.846  -3.952
   13    HA   ARG   2           HA       ARG   2   9.434  -8.819  -2.963
   14   1HB   ARG   2          2HB       ARG   2  11.997  -9.289  -4.486
   15   2HB   ARG   2          1HB       ARG   2  10.645 -10.400  -4.311
   16   1HG   ARG   2          2HG       ARG   2   9.405  -9.363  -5.895
   17   2HG   ARG   2          1HG       ARG   2  10.061  -7.767  -5.523
   18   1HD   ARG   2          2HD       ARG   2  10.860  -8.363  -7.681
   19   2HD   ARG   2          1HD       ARG   2  12.216  -8.519  -6.566
   20    HE   ARG   2           HE       ARG   2  11.095 -11.016  -6.676
   21   1HH1  ARG   2          1HH1      ARG   2  12.450  -8.801  -9.020
   22   2HH1  ARG   2          2HH1      ARG   2  12.986 -10.061 -10.079
   23   1HH2  ARG   2          1HH2      ARG   2  11.804 -12.664  -8.071
   24   2HH2  ARG   2          2HH2      ARG   2  12.620 -12.251  -9.542
   25    H    LYS   3           H        LYS   3  12.841  -7.991  -2.449
   26    HA   LYS   3           HA       LYS   3  13.383 -10.132  -0.672
   27   1HB   LYS   3          2HB       LYS   3  15.115  -8.845  -1.919
   28   2HB   LYS   3          1HB       LYS   3  14.807  -7.473  -0.863
   29   1HG   LYS   3          2HG       LYS   3  15.340  -9.152   1.043
   30   2HG   LYS   3          1HG       LYS   3  16.112 -10.084  -0.241
   31   1HD   LYS   3          2HD       LYS   3  16.803  -7.235  -0.241
   32   2HD   LYS   3          1HD       LYS   3  17.313  -8.101   1.208
   33   1HE   LYS   3          2HE       LYS   3  18.560  -9.673  -0.080
   34   2HE   LYS   3          1HE       LYS   3  17.882  -9.061  -1.588
   35   1HZ   LYS   3          1HZ       LYS   3  20.175  -8.293  -1.115
   36   2HZ   LYS   3          2HZ       LYS   3  19.587  -7.452   0.230
   37   3HZ   LYS   3          3HZ       LYS   3  19.069  -7.029  -1.323
   38    H    LEU   4           H        LEU   4  11.487  -9.997   0.717
   39    HA   LEU   4           HA       LEU   4  12.040  -8.902   3.222
   40   1HB   LEU   4          2HB       LEU   4  10.033  -7.263   3.215
   41   2HB   LEU   4          1HB       LEU   4  11.585  -6.732   2.598
   42    HG   LEU   4           HG       LEU   4  10.828  -6.988   0.316
   43   1HD1  LEU   4          1HD1      LEU   4   8.253  -7.465   0.115
   44   2HD1  LEU   4          2HD1      LEU   4   8.519  -8.340   1.621
   45   3HD1  LEU   4          3HD1      LEU   4   9.418  -8.787   0.173
   46   1HD2  LEU   4          1HD2      LEU   4  10.261  -4.863   0.860
   47   2HD2  LEU   4          2HD2      LEU   4   9.288  -5.359   2.244
   48   3HD2  LEU   4          3HD2      LEU   4   8.633  -5.493   0.612
   49    H    SER   5           H        SER   5  10.414  -9.359   4.795
   50    HA   SER   5           HA       SER   5   8.745 -11.604   4.054
   51   1HB   SER   5          2HB       SER   5   8.605 -10.455   6.790
   52   2HB   SER   5          1HB       SER   5   8.716 -12.140   6.280
   53    HG   SER   5           HG       SER   5  10.951 -11.559   5.656
   54    H    ASP   6           H        ASP   6   6.458 -11.705   4.818
   55    HA   ASP   6           HA       ASP   6   4.943  -9.627   3.703
   56   1HB   ASP   6          2HB       ASP   6   3.693 -11.324   5.833
   57   2HB   ASP   6          1HB       ASP   6   3.033 -10.778   4.304
   58    H    GLU   7           H        GLU   7   6.297 -10.007   6.864
   59    HA   GLU   7           HA       GLU   7   4.604  -8.103   8.161
   60   1HB   GLU   7          2HB       GLU   7   6.849  -9.805   8.880
   61   2HB   GLU   7          1HB       GLU   7   6.999  -8.208   9.598
   62   1HG   GLU   7          2HG       GLU   7   4.798  -8.432  10.602
   63   2HG   GLU   7          1HG       GLU   7   4.606 -10.015   9.850
   64    H    LEU   8           H        LEU   8   7.673  -8.019   6.492
   65    HA   LEU   8           HA       LEU   8   8.161  -5.242   7.110
   66   1HB   LEU   8          2HB       LEU   8   9.548  -7.346   5.522
   67   2HB   LEU   8          1HB       LEU   8   9.933  -5.663   5.213
   68    HG   LEU   8           HG       LEU   8  11.479  -6.740   6.807
   69   1HD1  LEU   8          1HD1      LEU   8   9.943  -4.668   8.307
   70   2HD1  LEU   8          2HD1      LEU   8  10.776  -4.257   6.808
   71   3HD1  LEU   8          3HD1      LEU   8  11.686  -4.892   8.179
   72   1HD2  LEU   8          1HD2      LEU   8  10.846  -7.630   8.823
   73   2HD2  LEU   8          2HD2      LEU   8   9.469  -8.082   7.818
   74   3HD2  LEU   8          3HD2      LEU   8   9.357  -6.687   8.890
   75    H    LEU   9           H        LEU   9   6.848  -7.150   4.493
   76    HA   LEU   9           HA       LEU   9   6.738  -5.009   2.599
   77   1HB   LEU   9          2HB       LEU   9   6.850  -7.279   1.803
   78   2HB   LEU   9          1HB       LEU   9   5.410  -7.715   2.701
   79    HG   LEU   9           HG       LEU   9   4.196  -6.002   1.206
   80   1HD1  LEU   9          1HD1      LEU   9   6.480  -6.547  -0.659
   81   2HD1  LEU   9          2HD1      LEU   9   6.438  -5.109   0.360
   82   3HD1  LEU   9          3HD1      LEU   9   5.164  -5.385  -0.827
   83   1HD2  LEU   9          1HD2      LEU   9   4.046  -7.710  -0.648
   84   2HD2  LEU   9          2HD2      LEU   9   3.716  -8.312   0.977
   85   3HD2  LEU   9          3HD2      LEU   9   5.276  -8.632   0.217
   86    H    ILE  10           H        ILE  10   4.377  -6.616   4.690
   87    HA   ILE  10           HA       ILE  10   2.219  -4.977   3.881
   88    HB   ILE  10           HB       ILE  10   2.557  -6.673   6.350
   89   1HG1  ILE  10          2HG1      ILE  10   0.846  -7.229   3.941
   90   2HG1  ILE  10          1HG1      ILE  10   2.552  -7.668   3.969
   91   1HG2  ILE  10          1HG2      ILE  10   0.149  -5.204   5.294
   92   2HG2  ILE  10          2HG2      ILE  10   0.869  -5.099   6.900
   93   3HG2  ILE  10          3HG2      ILE  10   0.028  -6.567   6.406
   94   1HD1  ILE  10          1HD1      ILE  10   0.622  -9.318   4.711
   95   2HD1  ILE  10          2HD1      ILE  10   0.913  -8.528   6.259
   96   3HD1  ILE  10          3HD1      ILE  10   2.231  -9.350   5.424
   97    H    GLU  11           H        GLU  11   4.623  -4.751   6.418
   98    HA   GLU  11           HA       GLU  11   3.452  -2.645   7.877
   99   1HB   GLU  11          2HB       GLU  11   6.192  -3.766   7.602
  100   2HB   GLU  11          1HB       GLU  11   6.037  -2.177   8.322
  101   1HG   GLU  11          2HG       GLU  11   4.583  -3.055  10.039
  102   2HG   GLU  11          1HG       GLU  11   4.618  -4.649   9.287
  103    H    SER  12           H        SER  12   5.232  -2.755   4.888
  104    HA   SER  12           HA       SER  12   5.862   0.033   4.795
  105   1HB   SER  12          2HB       SER  12   6.778  -2.082   3.405
  106   2HB   SER  12          1HB       SER  12   5.573  -1.497   2.259
  107    HG   SER  12           HG       SER  12   7.919  -0.275   3.167
  108    H    TYR  13           H        TYR  13   3.343  -2.015   3.372
  109    HA   TYR  13           HA       TYR  13   1.979   0.038   1.996
  110   1HB   TYR  13          2HB       TYR  13   1.632  -2.397   1.600
  111   2HB   TYR  13          1HB       TYR  13   0.833  -2.511   3.161
  112    HD1  TYR  13           1HD      TYR  13  -1.464  -2.154   3.327
  113    HD2  TYR  13           2HD      TYR  13   0.604  -0.781  -0.129
  114    HE1  TYR  13           1HE      TYR  13  -3.612  -1.579   2.276
  115    HE2  TYR  13           2HE      TYR  13  -1.539  -0.202  -1.188
  116    HH   TYR  13           HH       TYR  13  -4.119   0.384   0.078
  117    H    PHE  14           H        PHE  14   1.761  -1.250   5.253
  118    HA   PHE  14           HA       PHE  14  -0.521   0.273   6.021
  119   1HB   PHE  14          2HB       PHE  14   1.574  -1.222   7.576
  120   2HB   PHE  14          1HB       PHE  14   0.240  -0.397   8.357
  121    HD1  PHE  14           1HD      PHE  14  -0.075  -2.755   9.308
  122    HD2  PHE  14           2HD      PHE  14  -0.728  -1.802   5.208
  123    HE1  PHE  14           1HE      PHE  14  -1.445  -4.782   9.055
  124    HE2  PHE  14           2HE      PHE  14  -2.098  -3.825   4.953
  125    HZ   PHE  14           HZ       PHE  14  -2.458  -5.324   6.874
  126    H    LYS  15           H        LYS  15   2.964   0.608   6.576
  127    HA   LYS  15           HA       LYS  15   2.825   3.000   8.059
  128   1HB   LYS  15          2HB       LYS  15   4.991   1.616   6.514
  129   2HB   LYS  15          1HB       LYS  15   5.265   3.225   7.158
  130   1HG   LYS  15          2HG       LYS  15   4.601   2.315   9.411
  131   2HG   LYS  15          1HG       LYS  15   4.661   0.709   8.682
  132   1HD   LYS  15          2HD       LYS  15   7.006   2.511   8.340
  133   2HD   LYS  15          1HD       LYS  15   6.757   1.748   9.912
  134   1HE   LYS  15          2HE       LYS  15   7.004  -0.396   9.050
  135   2HE   LYS  15          1HE       LYS  15   6.664   0.123   7.400
  136   1HZ   LYS  15          1HZ       LYS  15   9.100   0.884   8.913
  137   2HZ   LYS  15          2HZ       LYS  15   8.784   1.183   7.279
  138   3HZ   LYS  15          3HZ       LYS  15   9.028  -0.402   7.816
  139    H    ALA  16           H        ALA  16   3.250   2.339   4.616
  140    HA   ALA  16           HA       ALA  16   3.695   4.965   3.767
  141   1HB   ALA  16          1HB       ALA  16   2.430   2.673   2.274
  142   2HB   ALA  16          2HB       ALA  16   4.148   3.074   2.329
  143   3HB   ALA  16          3HB       ALA  16   3.011   4.167   1.540
  144    H    THR  17           H        THR  17   0.683   3.218   4.358
  145    HA   THR  17           HA       THR  17  -0.992   5.216   3.217
  146    HB   THR  17           HB       THR  17  -2.822   4.076   4.408
  147    HG1  THR  17           1HG      THR  17  -0.814   2.412   5.505
  148   1HG2  THR  17          1HG2      THR  17  -2.759   2.722   2.660
  149   2HG2  THR  17          2HG2      THR  17  -1.846   1.603   3.672
  150   3HG2  THR  17          3HG2      THR  17  -0.997   2.734   2.618
  151    H    GLU  18           H        GLU  18   0.433   4.705   6.365
  152    HA   GLU  18           HA       GLU  18  -1.135   6.695   7.692
  153   1HB   GLU  18          2HB       GLU  18   0.970   4.801   8.397
  154   2HB   GLU  18          1HB       GLU  18   1.130   6.336   9.238
  155   1HG   GLU  18          2HG       GLU  18  -0.755   6.031  10.452
  156   2HG   GLU  18          1HG       GLU  18  -1.560   5.112   9.181
  157    H    MET  19           H        MET  19   2.170   6.577   6.429
  158    HA   MET  19           HA       MET  19   2.648   9.336   7.109
  159   1HB   MET  19          2HB       MET  19   4.850   8.981   6.291
  160   2HB   MET  19          1HB       MET  19   4.397   7.552   7.198
  161   1HG   MET  19          2HG       MET  19   4.011   6.330   5.172
  162   2HG   MET  19          1HG       MET  19   4.281   7.774   4.201
  163   1HE   MET  19          1HE       MET  19   5.604   4.729   4.273
  164   2HE   MET  19          2HE       MET  19   5.926   4.738   6.006
  165   3HE   MET  19          3HE       MET  19   7.266   4.691   4.859
  166    H    ASN  20           H        ASN  20   1.244   7.716   4.476
  167    HA   ASN  20           HA       ASN  20   0.379   8.472   2.513
  168   1HB   ASN  20          2HB       ASN  20   1.524  11.194   3.124
  169   2HB   ASN  20          1HB       ASN  20   0.204  10.806   2.028
  170   1HD2  ASN  20          1HD2      ASN  20  -1.727  11.238   2.778
  171   2HD2  ASN  20          2HD2      ASN  20  -2.200  11.261   4.439
  172    H    LEU  21           H        LEU  21   2.858   7.228   2.679
  173    HA   LEU  21           HA       LEU  21   4.966   8.439   1.312
  174   1HB   LEU  21          2HB       LEU  21   4.737   6.136   2.553
  175   2HB   LEU  21          1HB       LEU  21   4.345   5.530   0.957
  176    HG   LEU  21           HG       LEU  21   6.863   7.094   1.408
  177   1HD1  LEU  21          1HD1      LEU  21   7.725   4.532   1.487
  178   2HD1  LEU  21          2HD1      LEU  21   6.225   4.409   2.406
  179   3HD1  LEU  21          3HD1      LEU  21   7.477   5.546   2.908
  180   1HD2  LEU  21          1HD2      LEU  21   7.106   6.675  -0.762
  181   2HD2  LEU  21          2HD2      LEU  21   5.636   5.702  -0.782
  182   3HD2  LEU  21          3HD2      LEU  21   7.184   4.953  -0.395
  183    H    ASN  22           H        ASN  22   5.704   8.077  -0.898
  184    HA   ASN  22           HA       ASN  22   4.069   8.920  -2.882
  185   1HB   ASN  22          2HB       ASN  22   6.599   8.492  -2.930
  186   2HB   ASN  22          1HB       ASN  22   6.190   6.865  -3.464
  187   1HD2  ASN  22          1HD2      ASN  22   6.707  10.059  -4.390
  188   2HD2  ASN  22          2HD2      ASN  22   6.195   9.929  -6.036
  189    H    ARG  23           H        ARG  23   2.607   8.131  -4.298
  190    HA   ARG  23           HA       ARG  23   1.119   5.864  -3.686
  191   1HB   ARG  23          2HB       ARG  23   0.580   7.934  -5.186
  192   2HB   ARG  23          1HB       ARG  23   1.209   6.927  -6.483
  193   1HG   ARG  23          2HG       ARG  23  -0.738   5.892  -6.650
  194   2HG   ARG  23          1HG       ARG  23  -0.619   5.366  -4.971
  195   1HD   ARG  23          2HD       ARG  23  -1.573   8.119  -5.697
  196   2HD   ARG  23          1HD       ARG  23  -2.672   6.741  -5.663
  197    HE   ARG  23           HE       ARG  23  -1.439   6.642  -3.246
  198   1HH1  ARG  23          1HH1      ARG  23  -3.198   9.138  -4.954
  199   2HH1  ARG  23          2HH1      ARG  23  -3.775   9.890  -3.505
  200   1HH2  ARG  23          1HH2      ARG  23  -2.202   7.636  -1.348
  201   2HH2  ARG  23          2HH2      ARG  23  -3.210   9.039  -1.461
  202    H    ASP  24           H        ASP  24   3.932   6.198  -5.723
  203    HA   ASP  24           HA       ASP  24   3.631   3.790  -7.155
  204   1HB   ASP  24          2HB       ASP  24   5.361   5.860  -7.333
  205   2HB   ASP  24          1HB       ASP  24   6.389   4.677  -6.530
  206    H    PHE  25           H        PHE  25   5.014   4.529  -4.021
  207    HA   PHE  25           HA       PHE  25   6.140   1.923  -3.628
  208   1HB   PHE  25          2HB       PHE  25   6.741   4.207  -2.472
  209   2HB   PHE  25          1HB       PHE  25   5.443   3.769  -1.366
  210    HD1  PHE  25           1HD      PHE  25   6.395   3.125   0.627
  211    HD2  PHE  25           2HD      PHE  25   8.084   1.724  -3.018
  212    HE1  PHE  25           1HE      PHE  25   7.960   1.716   1.898
  213    HE2  PHE  25           2HE      PHE  25   9.650   0.310  -1.754
  214    HZ   PHE  25           HZ       PHE  25   9.591   0.305   0.708
  215    H    ILE  26           H        ILE  26   3.235   3.643  -2.607
  216    HA   ILE  26           HA       ILE  26   2.121   1.626  -1.001
  217    HB   ILE  26           HB       ILE  26   0.791   3.821  -2.601
  218   1HG1  ILE  26          2HG1      ILE  26   1.536   3.603   0.323
  219   2HG1  ILE  26          1HG1      ILE  26   2.322   4.622  -0.877
  220   1HG2  ILE  26          1HG2      ILE  26  -1.162   3.486  -1.106
  221   2HG2  ILE  26          2HG2      ILE  26  -0.391   2.031  -0.474
  222   3HG2  ILE  26          3HG2      ILE  26  -0.863   2.111  -2.171
  223   1HD1  ILE  26          1HD1      ILE  26  -0.344   4.937   0.420
  224   2HD1  ILE  26          2HD1      ILE  26  -0.032   5.667  -1.155
  225   3HD1  ILE  26          3HD1      ILE  26   0.961   6.108   0.234
  226    H    GLU  27           H        GLU  27   1.821   2.334  -4.461
  227    HA   GLU  27           HA       GLU  27   0.005   0.179  -4.954
  228   1HB   GLU  27          2HB       GLU  27   0.685   2.409  -6.345
  229   2HB   GLU  27          1HB       GLU  27   1.635   1.204  -7.197
  230   1HG   GLU  27          2HG       GLU  27  -0.678  -0.097  -7.144
  231   2HG   GLU  27          1HG       GLU  27  -1.298   1.550  -7.046
  232    H    LEU  28           H        LEU  28   3.466   0.630  -5.031
  233    HA   LEU  28           HA       LEU  28   4.124  -1.762  -6.395
  234   1HB   LEU  28          2HB       LEU  28   5.820  -0.157  -6.356
  235   2HB   LEU  28          1HB       LEU  28   5.596   0.185  -4.654
  236    HG   LEU  28           HG       LEU  28   6.671  -2.486  -5.469
  237   1HD1  LEU  28          1HD1      LEU  28   7.905  -0.574  -6.656
  238   2HD1  LEU  28          2HD1      LEU  28   8.860  -1.715  -5.709
  239   3HD1  LEU  28          3HD1      LEU  28   8.472  -0.126  -5.047
  240   1HD2  LEU  28          1HD2      LEU  28   6.338  -2.431  -3.192
  241   2HD2  LEU  28          2HD2      LEU  28   6.705  -0.711  -3.071
  242   3HD2  LEU  28          3HD2      LEU  28   8.008  -1.875  -3.303
  243    H    ILE  29           H        ILE  29   3.892  -0.930  -2.951
  244    HA   ILE  29           HA       ILE  29   4.582  -3.530  -2.029
  245    HB   ILE  29           HB       ILE  29   3.012  -1.395  -0.573
  246   1HG1  ILE  29          2HG1      ILE  29   5.926  -1.873  -0.137
  247   2HG1  ILE  29          1HG1      ILE  29   5.436  -0.938  -1.543
  248   1HG2  ILE  29          1HG2      ILE  29   4.607  -3.732   0.467
  249   2HG2  ILE  29          2HG2      ILE  29   2.849  -3.602   0.450
  250   3HG2  ILE  29          3HG2      ILE  29   3.803  -2.509   1.451
  251   1HD1  ILE  29          1HD1      ILE  29   4.704   0.818  -0.288
  252   2HD1  ILE  29          2HD1      ILE  29   5.990   0.207   0.753
  253   3HD1  ILE  29          3HD1      ILE  29   4.309  -0.196   1.100
  254    H    GLU  30           H        GLU  30   1.611  -1.946  -2.968
  255    HA   GLU  30           HA       GLU  30  -0.117  -3.996  -1.936
  256   1HB   GLU  30          2HB       GLU  30  -0.691  -1.520  -2.423
  257   2HB   GLU  30          1HB       GLU  30  -0.867  -2.038  -4.093
  258   1HG   GLU  30          2HG       GLU  30  -2.371  -3.890  -2.790
  259   2HG   GLU  30          1HG       GLU  30  -2.622  -2.457  -1.794
  260    H    ASN  31           H        ASN  31   1.500  -3.289  -4.954
  261    HA   ASN  31           HA       ASN  31   0.074  -5.155  -6.552
  262   1HB   ASN  31          2HB       ASN  31   2.602  -3.587  -6.838
  263   2HB   ASN  31          1HB       ASN  31   2.311  -4.918  -7.950
  264   1HD2  ASN  31          1HD2      ASN  31   2.483  -2.124  -8.563
  265   2HD2  ASN  31          2HD2      ASN  31   0.966  -1.662  -9.247
  266    H    GLU  32           H        GLU  32   2.811  -5.386  -4.409
  267    HA   GLU  32           HA       GLU  32   3.603  -7.999  -5.345
  268   1HB   GLU  32          2HB       GLU  32   5.203  -6.347  -4.324
  269   2HB   GLU  32          1HB       GLU  32   4.398  -6.601  -2.782
  270   1HG   GLU  32          2HG       GLU  32   6.369  -7.929  -2.816
  271   2HG   GLU  32          1HG       GLU  32   4.983  -9.010  -2.946
  272    H    ILE  33           H        ILE  33   1.960  -6.621  -2.544
  273    HA   ILE  33           HA       ILE  33   1.435  -9.057  -1.214
  274    HB   ILE  33           HB       ILE  33  -0.035  -6.410  -1.118
  275   1HG1  ILE  33          2HG1      ILE  33   1.886  -7.516   0.923
  276   2HG1  ILE  33          1HG1      ILE  33   2.435  -6.551  -0.443
  277   1HG2  ILE  33          1HG2      ILE  33  -0.264  -7.951   1.301
  278   2HG2  ILE  33          2HG2      ILE  33  -0.870  -8.878  -0.070
  279   3HG2  ILE  33          3HG2      ILE  33  -1.533  -7.284   0.274
  280   1HD1  ILE  33          1HD1      ILE  33   0.456  -5.654   1.637
  281   2HD1  ILE  33          2HD1      ILE  33   1.085  -4.687   0.303
  282   3HD1  ILE  33          3HD1      ILE  33   2.165  -5.224   1.590
  283    H    LYS  34           H        LYS  34  -0.182  -7.277  -3.773
  284    HA   LYS  34           HA       LYS  34  -2.611  -8.751  -3.725
  285   1HB   LYS  34          2HB       LYS  34  -1.285  -6.842  -5.587
  286   2HB   LYS  34          1HB       LYS  34  -2.548  -7.868  -6.251
  287   1HG   LYS  34          2HG       LYS  34  -3.498  -6.806  -3.800
  288   2HG   LYS  34          1HG       LYS  34  -2.802  -5.481  -4.731
  289   1HD   LYS  34          2HD       LYS  34  -4.257  -5.862  -6.549
  290   2HD   LYS  34          1HD       LYS  34  -4.734  -7.447  -5.935
  291   1HE   LYS  34          2HE       LYS  34  -6.024  -6.509  -4.210
  292   2HE   LYS  34          1HE       LYS  34  -5.280  -4.922  -4.405
  293   1HZ   LYS  34          1HZ       LYS  34  -7.648  -5.475  -5.379
  294   2HZ   LYS  34          2HZ       LYS  34  -6.732  -6.025  -6.690
  295   3HZ   LYS  34          3HZ       LYS  34  -6.589  -4.422  -6.172
  296    H    ARG  35           H        ARG  35   0.339  -8.961  -5.696
  297    HA   ARG  35           HA       ARG  35  -0.523 -11.252  -7.158
  298   1HB   ARG  35          2HB       ARG  35   1.501  -9.431  -7.448
  299   2HB   ARG  35          1HB       ARG  35   2.381 -10.848  -6.895
  300   1HG   ARG  35          2HG       ARG  35   0.410 -11.097  -9.123
  301   2HG   ARG  35          1HG       ARG  35   2.024 -10.454  -9.432
  302   1HD   ARG  35          2HD       ARG  35   1.452 -13.101  -8.106
  303   2HD   ARG  35          1HD       ARG  35   1.843 -12.897  -9.813
  304    HE   ARG  35           HE       ARG  35   3.786 -11.771  -8.007
  305   1HH1  ARG  35          1HH1      ARG  35   2.807 -14.643  -9.751
  306   2HH1  ARG  35          2HH1      ARG  35   4.393 -15.337  -9.737
  307   1HH2  ARG  35          1HH2      ARG  35   5.865 -12.690  -7.996
  308   2HH2  ARG  35          2HH2      ARG  35   6.126 -14.231  -8.743
  309    H    ARG  36           H        ARG  36   0.963 -10.754  -4.070
  310    HA   ARG  36           HA       ARG  36   1.976 -13.432  -3.803
  311   1HB   ARG  36          2HB       ARG  36   1.772 -11.035  -2.016
  312   2HB   ARG  36          1HB       ARG  36   2.148 -12.603  -1.325
  313   1HG   ARG  36          2HG       ARG  36   3.814 -12.171  -3.604
  314   2HG   ARG  36          1HG       ARG  36   3.901 -10.763  -2.544
  315   1HD   ARG  36          2HD       ARG  36   5.581 -12.161  -1.739
  316   2HD   ARG  36          1HD       ARG  36   4.230 -12.469  -0.649
  317    HE   ARG  36           HE       ARG  36   4.104 -14.613  -1.453
  318   1HH1  ARG  36          1HH1      ARG  36   6.165 -12.736  -3.567
  319   2HH1  ARG  36          2HH1      ARG  36   6.707 -14.116  -4.460
  320   1HH2  ARG  36          1HH2      ARG  36   4.821 -16.420  -2.632
  321   2HH2  ARG  36          2HH2      ARG  36   5.944 -16.204  -3.932
  322    H    SER  37           H        SER  37  -1.132 -12.384  -3.892
  323    HA   SER  37           HA       SER  37  -3.115 -13.218  -3.165
  324   1HB   SER  37          2HB       SER  37  -2.158 -15.384  -3.857
  325   2HB   SER  37          1HB       SER  37  -1.425 -15.566  -2.263
  326    HG   SER  37           HG       SER  37  -3.472 -16.666  -2.551
  327    H    LEU  38           H        LEU  38  -1.557 -11.507  -1.473
  328    HA   LEU  38           HA       LEU  38  -2.523 -12.368   1.179
  329   1HB   LEU  38          2HB       LEU  38   0.035 -12.217   0.655
  330   2HB   LEU  38          1HB       LEU  38  -0.221 -10.495   0.849
  331    HG   LEU  38           HG       LEU  38  -1.185 -10.995   3.123
  332   1HD1  LEU  38          1HD1      LEU  38  -1.165 -13.077   4.029
  333   2HD1  LEU  38          2HD1      LEU  38   0.229 -13.596   3.082
  334   3HD1  LEU  38          3HD1      LEU  38  -1.367 -13.527   2.336
  335   1HD2  LEU  38          1HD2      LEU  38   0.988 -11.227   4.165
  336   2HD2  LEU  38          2HD2      LEU  38   1.096 -10.154   2.768
  337   3HD2  LEU  38          3HD2      LEU  38   1.675 -11.817   2.651
  338    H    GLY  39           H        GLY  39  -3.573 -10.517  -1.126
  339   1HA   GLY  39          2HA       GLY  39  -3.594  -7.865  -0.224
  340   2HA   GLY  39          1HA       GLY  39  -4.837  -8.603  -1.230
  341    H    HIS  40           H        HIS  40  -5.356 -10.651   0.908
  342    HA   HIS  40           HA       HIS  40  -7.487  -9.349   2.195
  343   1HB   HIS  40          2HB       HIS  40  -7.496 -11.412   3.675
  344   2HB   HIS  40          1HB       HIS  40  -7.624 -11.712   1.945
  345    HD1  HIS  40           1HD      HIS  40  -6.125 -13.486   1.110
  346    HD2  HIS  40           2HD      HIS  40  -4.637 -11.710   4.559
  347    HE1  HIS  40           1HE      HIS  40  -4.025 -14.753   1.666
  348    HE2  HIS  40           2HE      HIS  40  -3.171 -13.696   3.788
  349    H    ILE  41           H        ILE  41  -4.141  -9.816   3.062
  350    HA   ILE  41           HA       ILE  41  -4.352  -9.181   5.807
  351    HB   ILE  41           HB       ILE  41  -2.398 -10.272   4.500
  352   1HG1  ILE  41          2HG1      ILE  41  -0.790  -9.613   6.218
  353   2HG1  ILE  41          1HG1      ILE  41  -1.810  -8.245   6.656
  354   1HG2  ILE  41          1HG2      ILE  41  -2.206  -7.959   3.176
  355   2HG2  ILE  41          2HG2      ILE  41  -0.848  -9.055   3.412
  356   3HG2  ILE  41          3HG2      ILE  41  -1.046  -7.656   4.467
  357   1HD1  ILE  41          1HD1      ILE  41  -2.857 -11.044   6.743
  358   2HD1  ILE  41          2HD1      ILE  41  -3.431  -9.614   7.600
  359   3HD1  ILE  41          3HD1      ILE  41  -1.914 -10.377   8.075
  360    H    ILE  42           H        ILE  42  -4.106  -7.278   2.895
  361    HA   ILE  42           HA       ILE  42  -3.732  -4.792   4.352
  362    HB   ILE  42           HB       ILE  42  -3.464  -3.720   2.244
  363   1HG1  ILE  42          2HG1      ILE  42  -4.048  -6.159   0.635
  364   2HG1  ILE  42          1HG1      ILE  42  -5.400  -5.172   1.162
  365   1HG2  ILE  42          1HG2      ILE  42  -2.245  -6.429   1.916
  366   2HG2  ILE  42          2HG2      ILE  42  -1.641  -5.197   3.022
  367   3HG2  ILE  42          3HG2      ILE  42  -1.648  -4.896   1.284
  368   1HD1  ILE  42          1HD1      ILE  42  -3.911  -4.810  -1.108
  369   2HD1  ILE  42          2HD1      ILE  42  -3.264  -3.600  -0.001
  370   3HD1  ILE  42          3HD1      ILE  42  -4.989  -3.625  -0.371
  371    H    SER  43           H        SER  43  -6.231  -6.615   2.788
  372    HA   SER  43           HA       SER  43  -8.470  -6.396   2.730
  373   1HB   SER  43          2HB       SER  43  -8.053  -5.454   5.136
  374   2HB   SER  43          1HB       SER  43  -8.382  -3.890   4.389
  375    HG   SER  43           HG       SER  43 -10.400  -4.741   3.706
  376    H    VAL  44           H        VAL  44  -7.860  -5.868   0.506
  377    HA   VAL  44           HA       VAL  44  -7.721  -3.148  -0.343
  378    HB   VAL  44           HB       VAL  44  -8.541  -5.246  -2.297
  379   1HG1  VAL  44          1HG1      VAL  44  -6.523  -3.012  -2.350
  380   2HG1  VAL  44          2HG1      VAL  44  -8.151  -2.971  -3.027
  381   3HG1  VAL  44          3HG1      VAL  44  -6.937  -4.051  -3.712
  382   1HG2  VAL  44          1HG2      VAL  44  -5.768  -5.453  -2.276
  383   2HG2  VAL  44          2HG2      VAL  44  -6.919  -6.678  -1.746
  384   3HG2  VAL  44          3HG2      VAL  44  -6.228  -5.558  -0.581
  385    H    SER  45           H        SER  45  -9.251  -2.019  -1.664
  386    HA   SER  45           HA       SER  45 -11.979  -2.472  -0.791
  387   1HB   SER  45          2HB       SER  45 -11.236  -0.195  -0.711
  388   2HB   SER  45          1HB       SER  45 -10.676  -0.255  -2.382
  389    HG   SER  45           HG       SER  45 -13.352  -0.349  -1.450
  390    H    SER  46           H        SER  46 -12.631  -4.311  -1.904
  391    HA   SER  46           HA       SER  46 -13.490  -3.840  -4.620
  392   1HB   SER  46          2HB       SER  46 -12.445  -6.220  -5.187
  393   2HB   SER  46          1HB       SER  46 -11.522  -4.734  -5.406
  394    HG   SER  46           HG       SER  46 -11.308  -6.691  -3.406
  Start of MODEL   25
    1   1H    MET   1          1HT       MET   1  13.343  -5.329  -2.309
    2   2H    MET   1          2HT       MET   1  12.247  -5.789  -1.072
    3   3H    MET   1          3HT       MET   1  12.430  -4.134  -1.487
    4    HA   MET   1           HA       MET   1  10.497  -4.685  -2.503
    5   1HB   MET   1          2HB       MET   1  12.922  -4.600  -4.156
    6   2HB   MET   1          1HB       MET   1  11.534  -5.292  -4.983
    7   1HG   MET   1          2HG       MET   1  11.767  -2.876  -5.348
    8   2HG   MET   1          1HG       MET   1  10.240  -3.310  -4.584
    9   1HE   MET   1          1HE       MET   1   9.696  -1.255  -2.045
   10   2HE   MET   1          2HE       MET   1  10.375  -2.625  -1.167
   11   3HE   MET   1          3HE       MET   1   9.460  -2.894  -2.650
   12    H    ARG   2           H        ARG   2  12.680  -7.090  -3.971
   13    HA   ARG   2           HA       ARG   2  10.517  -9.000  -4.119
   14   1HB   ARG   2          2HB       ARG   2  12.123 -10.409  -5.315
   15   2HB   ARG   2          1HB       ARG   2  12.075  -8.785  -5.988
   16   1HG   ARG   2          2HG       ARG   2  14.091  -9.023  -3.925
   17   2HG   ARG   2          1HG       ARG   2  14.327 -10.205  -5.213
   18   1HD   ARG   2          2HD       ARG   2  13.944  -7.247  -5.652
   19   2HD   ARG   2          1HD       ARG   2  15.510  -8.053  -5.595
   20    HE   ARG   2           HE       ARG   2  13.815  -9.285  -7.502
   21   1HH1  ARG   2          1HH1      ARG   2  15.778  -6.430  -7.018
   22   2HH1  ARG   2          2HH1      ARG   2  16.072  -6.201  -8.708
   23   1HH2  ARG   2          1HH2      ARG   2  14.208  -8.976  -9.720
   24   2HH2  ARG   2          2HH2      ARG   2  15.183  -7.642 -10.239
   25    H    LYS   3           H        LYS   3  13.341  -8.451  -2.142
   26    HA   LYS   3           HA       LYS   3  12.929 -11.031  -0.799
   27   1HB   LYS   3          2HB       LYS   3  15.260  -9.172  -1.037
   28   2HB   LYS   3          1HB       LYS   3  15.160 -10.250   0.348
   29   1HG   LYS   3          2HG       LYS   3  14.729 -12.050  -1.538
   30   2HG   LYS   3          1HG       LYS   3  15.605 -10.873  -2.517
   31   1HD   LYS   3          2HD       LYS   3  16.748 -11.566   0.131
   32   2HD   LYS   3          1HD       LYS   3  16.838 -12.791  -1.137
   33   1HE   LYS   3          2HE       LYS   3  17.745  -9.948  -1.526
   34   2HE   LYS   3          1HE       LYS   3  18.815 -11.229  -0.960
   35   1HZ   LYS   3          1HZ       LYS   3  19.146 -11.179  -3.242
   36   2HZ   LYS   3          2HZ       LYS   3  17.507 -10.953  -3.591
   37   3HZ   LYS   3          3HZ       LYS   3  18.055 -12.458  -3.048
   38    H    LEU   4           H        LEU   4  11.011 -10.248   0.283
   39    HA   LEU   4           HA       LEU   4  11.672  -8.978   2.816
   40   1HB   LEU   4          2HB       LEU   4   9.371  -7.917   1.190
   41   2HB   LEU   4          1HB       LEU   4   9.991  -7.292   2.704
   42    HG   LEU   4           HG       LEU   4  11.571  -7.257   0.137
   43   1HD1  LEU   4          1HD1      LEU   4   9.620  -5.293   1.272
   44   2HD1  LEU   4          2HD1      LEU   4   9.795  -5.863  -0.387
   45   3HD1  LEU   4          3HD1      LEU   4  10.983  -4.751   0.291
   46   1HD2  LEU   4          1HD2      LEU   4  12.022  -5.359   2.359
   47   2HD2  LEU   4          2HD2      LEU   4  13.176  -6.123   1.267
   48   3HD2  LEU   4          3HD2      LEU   4  12.514  -7.030   2.626
   49    H    SER   5           H        SER   5  10.116  -9.345   4.450
   50    HA   SER   5           HA       SER   5   8.519 -11.741   4.003
   51   1HB   SER   5          2HB       SER   5   8.187 -11.548   6.535
   52   2HB   SER   5          1HB       SER   5   9.826 -11.880   5.975
   53    HG   SER   5           HG       SER   5  10.251 -10.214   7.210
   54    H    ASP   6           H        ASP   6   6.302 -11.843   4.912
   55    HA   ASP   6           HA       ASP   6   4.678  -9.822   3.840
   56   1HB   ASP   6          2HB       ASP   6   3.517 -11.387   6.094
   57   2HB   ASP   6          1HB       ASP   6   2.846 -11.013   4.519
   58    H    GLU   7           H        GLU   7   6.226 -10.114   6.926
   59    HA   GLU   7           HA       GLU   7   4.610  -8.137   8.230
   60   1HB   GLU   7          2HB       GLU   7   6.775  -9.916   8.948
   61   2HB   GLU   7          1HB       GLU   7   7.078  -8.300   9.571
   62   1HG   GLU   7          2HG       GLU   7   4.646  -8.433  10.432
   63   2HG   GLU   7          1HG       GLU   7   4.831 -10.169  10.186
   64    H    LEU   8           H        LEU   8   7.612  -8.186   6.444
   65    HA   LEU   8           HA       LEU   8   8.216  -5.420   6.996
   66   1HB   LEU   8          2HB       LEU   8   9.470  -7.597   5.405
   67   2HB   LEU   8          1HB       LEU   8   9.892  -5.937   5.029
   68    HG   LEU   8           HG       LEU   8  11.442  -7.107   6.612
   69   1HD1  LEU   8          1HD1      LEU   8  11.985  -5.150   7.608
   70   2HD1  LEU   8          2HD1      LEU   8  10.327  -4.821   8.113
   71   3HD1  LEU   8          3HD1      LEU   8  10.814  -4.533   6.442
   72   1HD2  LEU   8          1HD2      LEU   8   9.276  -8.051   7.851
   73   2HD2  LEU   8          2HD2      LEU   8   9.560  -6.616   8.836
   74   3HD2  LEU   8          3HD2      LEU   8  10.824  -7.834   8.667
   75    H    LEU   9           H        LEU   9   6.786  -7.311   4.415
   76    HA   LEU   9           HA       LEU   9   6.672  -5.148   2.548
   77   1HB   LEU   9          2HB       LEU   9   6.734  -7.474   1.801
   78   2HB   LEU   9          1HB       LEU   9   5.203  -7.782   2.599
   79    HG   LEU   9           HG       LEU   9   4.150  -6.101   1.059
   80   1HD1  LEU   9          1HD1      LEU   9   5.285  -5.267  -0.809
   81   2HD1  LEU   9          2HD1      LEU   9   6.643  -6.371  -0.588
   82   3HD1  LEU   9          3HD1      LEU   9   6.404  -5.031   0.534
   83   1HD2  LEU   9          1HD2      LEU   9   4.174  -7.619  -0.906
   84   2HD2  LEU   9          2HD2      LEU   9   3.886  -8.450   0.622
   85   3HD2  LEU   9          3HD2      LEU   9   5.474  -8.531  -0.138
   86    H    ILE  10           H        ILE  10   4.359  -6.675   4.749
   87    HA   ILE  10           HA       ILE  10   2.192  -5.042   3.937
   88    HB   ILE  10           HB       ILE  10   2.568  -6.684   6.434
   89   1HG1  ILE  10          2HG1      ILE  10   0.759  -7.228   4.096
   90   2HG1  ILE  10          1HG1      ILE  10   2.450  -7.715   4.073
   91   1HG2  ILE  10          1HG2      ILE  10  -0.036  -6.506   6.397
   92   2HG2  ILE  10          2HG2      ILE  10   0.269  -5.011   5.514
   93   3HG2  ILE  10          3HG2      ILE  10   0.920  -5.222   7.139
   94   1HD1  ILE  10          1HD1      ILE  10   2.093  -9.426   5.451
   95   2HD1  ILE  10          2HD1      ILE  10   0.413  -9.229   4.970
   96   3HD1  ILE  10          3HD1      ILE  10   0.985  -8.508   6.470
   97    H    GLU  11           H        GLU  11   4.578  -4.797   6.534
   98    HA   GLU  11           HA       GLU  11   3.444  -2.575   7.839
   99   1HB   GLU  11          2HB       GLU  11   6.134  -3.814   7.736
  100   2HB   GLU  11          1HB       GLU  11   6.060  -2.159   8.289
  101   1HG   GLU  11          2HG       GLU  11   5.988  -3.846  10.105
  102   2HG   GLU  11          1HG       GLU  11   4.619  -2.737  10.091
  103    H    SER  12           H        SER  12   5.280  -2.900   4.898
  104    HA   SER  12           HA       SER  12   6.033  -0.160   4.656
  105   1HB   SER  12          2HB       SER  12   5.754  -2.328   2.556
  106   2HB   SER  12          1HB       SER  12   6.485  -0.747   2.277
  107    HG   SER  12           HG       SER  12   8.161  -2.057   2.763
  108    H    TYR  13           H        TYR  13   3.373  -2.126   3.413
  109    HA   TYR  13           HA       TYR  13   2.122  -0.059   1.925
  110   1HB   TYR  13          2HB       TYR  13   1.695  -2.479   1.569
  111   2HB   TYR  13          1HB       TYR  13   0.897  -2.550   3.134
  112    HD1  TYR  13           1HD      TYR  13   0.715  -0.649  -0.076
  113    HD2  TYR  13           2HD      TYR  13  -1.403  -2.355   3.195
  114    HE1  TYR  13           1HE      TYR  13  -1.415  -0.034  -1.143
  115    HE2  TYR  13           2HE      TYR  13  -3.538  -1.747   2.139
  116    HH   TYR  13           HH       TYR  13  -4.039   0.384   0.093
  117    H    PHE  14           H        PHE  14   1.794  -1.275   5.200
  118    HA   PHE  14           HA       PHE  14  -0.428   0.360   5.906
  119   1HB   PHE  14          2HB       PHE  14   1.567  -1.187   7.541
  120   2HB   PHE  14          1HB       PHE  14   0.216  -0.332   8.254
  121    HD1  PHE  14           1HD      PHE  14  -0.080  -2.746   9.178
  122    HD2  PHE  14           2HD      PHE  14  -0.742  -1.676   5.107
  123    HE1  PHE  14           1HE      PHE  14  -1.475  -4.749   8.876
  124    HE2  PHE  14           2HE      PHE  14  -2.138  -3.677   4.806
  125    HZ   PHE  14           HZ       PHE  14  -2.505  -5.223   6.687
  126    H    LYS  15           H        LYS  15   3.068   0.628   6.277
  127    HA   LYS  15           HA       LYS  15   3.075   2.946   7.891
  128   1HB   LYS  15          2HB       LYS  15   5.079   1.515   6.212
  129   2HB   LYS  15          1HB       LYS  15   5.427   3.177   6.631
  130   1HG   LYS  15          2HG       LYS  15   6.380   1.344   8.122
  131   2HG   LYS  15          1HG       LYS  15   5.603   2.714   8.900
  132   1HD   LYS  15          2HD       LYS  15   3.655   0.666   8.426
  133   2HD   LYS  15          1HD       LYS  15   5.052  -0.035   9.233
  134   1HE   LYS  15          2HE       LYS  15   3.826   2.516  10.215
  135   2HE   LYS  15          1HE       LYS  15   3.141   0.954  10.662
  136   1HZ   LYS  15          1HZ       LYS  15   5.272   0.319  11.593
  137   2HZ   LYS  15          2HZ       LYS  15   4.724   1.749  12.310
  138   3HZ   LYS  15          3HZ       LYS  15   5.947   1.804  11.142
  139    H    ALA  16           H        ALA  16   3.570   2.503   4.404
  140    HA   ALA  16           HA       ALA  16   3.783   5.180   3.695
  141   1HB   ALA  16          1HB       ALA  16   2.783   2.820   2.118
  142   2HB   ALA  16          2HB       ALA  16   4.413   3.494   2.136
  143   3HB   ALA  16          3HB       ALA  16   3.088   4.410   1.419
  144    H    THR  17           H        THR  17   0.907   3.222   4.232
  145    HA   THR  17           HA       THR  17  -0.907   5.098   3.103
  146    HB   THR  17           HB       THR  17  -2.584   3.817   4.605
  147    HG1  THR  17           1HG      THR  17  -1.331   2.828   6.070
  148   1HG2  THR  17          1HG2      THR  17  -2.981   2.681   2.759
  149   2HG2  THR  17          2HG2      THR  17  -1.583   1.653   3.070
  150   3HG2  THR  17          3HG2      THR  17  -1.396   3.138   2.139
  151    H    GLU  18           H        GLU  18   0.548   4.680   6.253
  152    HA   GLU  18           HA       GLU  18  -1.161   6.586   7.553
  153   1HB   GLU  18          2HB       GLU  18   1.007   4.785   8.316
  154   2HB   GLU  18          1HB       GLU  18   1.065   6.324   9.164
  155   1HG   GLU  18          2HG       GLU  18  -1.308   5.981   9.817
  156   2HG   GLU  18          1HG       GLU  18  -1.224   4.374   9.095
  157    H    MET  19           H        MET  19   2.180   6.591   6.391
  158    HA   MET  19           HA       MET  19   2.548   9.368   7.060
  159   1HB   MET  19          2HB       MET  19   4.769   9.085   6.227
  160   2HB   MET  19          1HB       MET  19   4.364   7.688   7.204
  161   1HG   MET  19          2HG       MET  19   4.076   6.332   5.279
  162   2HG   MET  19          1HG       MET  19   4.177   7.725   4.207
  163   1HE   MET  19          1HE       MET  19   6.240   4.866   5.918
  164   2HE   MET  19          2HE       MET  19   7.395   4.971   4.590
  165   3HE   MET  19          3HE       MET  19   5.667   4.891   4.252
  166    H    ASN  20           H        ASN  20   1.128   7.768   4.474
  167    HA   ASN  20           HA       ASN  20   0.334   8.444   2.467
  168   1HB   ASN  20          2HB       ASN  20   1.012  11.076   3.706
  169   2HB   ASN  20          1HB       ASN  20   0.631  11.024   1.990
  170   1HD2  ASN  20          1HD2      ASN  20  -1.041  12.493   3.206
  171   2HD2  ASN  20          2HD2      ASN  20  -2.536  11.708   3.570
  172    H    LEU  21           H        LEU  21   2.855   7.326   2.613
  173    HA   LEU  21           HA       LEU  21   4.905   8.686   1.279
  174   1HB   LEU  21          2HB       LEU  21   4.813   6.361   2.502
  175   2HB   LEU  21          1HB       LEU  21   4.461   5.749   0.901
  176    HG   LEU  21           HG       LEU  21   6.878   7.456   1.354
  177   1HD1  LEU  21          1HD1      LEU  21   6.404   4.764   2.403
  178   2HD1  LEU  21          2HD1      LEU  21   7.606   5.972   2.859
  179   3HD1  LEU  21          3HD1      LEU  21   7.882   4.938   1.459
  180   1HD2  LEU  21          1HD2      LEU  21   5.743   5.980  -0.826
  181   2HD2  LEU  21          2HD2      LEU  21   7.321   5.306  -0.424
  182   3HD2  LEU  21          3HD2      LEU  21   7.166   7.019  -0.809
  183    H    ASN  22           H        ASN  22   5.669   8.331  -0.948
  184    HA   ASN  22           HA       ASN  22   4.022   9.127  -2.929
  185   1HB   ASN  22          2HB       ASN  22   6.553   8.721  -2.990
  186   2HB   ASN  22          1HB       ASN  22   6.156   7.085  -3.507
  187   1HD2  ASN  22          1HD2      ASN  22   5.481  10.471  -4.285
  188   2HD2  ASN  22          2HD2      ASN  22   5.409  10.245  -5.996
  189    H    ARG  23           H        ARG  23   2.464   8.352  -4.207
  190    HA   ARG  23           HA       ARG  23   1.039   6.059  -3.612
  191   1HB   ARG  23          2HB       ARG  23   0.433   8.139  -5.061
  192   2HB   ARG  23          1HB       ARG  23   1.039   7.167  -6.395
  193   1HG   ARG  23          2HG       ARG  23  -0.806   5.681  -4.725
  194   2HG   ARG  23          1HG       ARG  23  -1.529   7.157  -5.363
  195   1HD   ARG  23          2HD       ARG  23   0.023   5.393  -7.199
  196   2HD   ARG  23          1HD       ARG  23  -1.606   4.912  -6.727
  197    HE   ARG  23           HE       ARG  23  -1.956   7.459  -7.522
  198   1HH1  ARG  23          1HH1      ARG  23  -0.381   4.729  -9.040
  199   2HH1  ARG  23          2HH1      ARG  23  -0.731   5.269 -10.647
  200   1HH2  ARG  23          1HH2      ARG  23  -2.411   8.160  -9.635
  201   2HH2  ARG  23          2HH2      ARG  23  -1.882   7.213 -10.985
  202    H    ASP  24           H        ASP  24   3.860   6.382  -5.610
  203    HA   ASP  24           HA       ASP  24   3.493   3.997  -7.103
  204   1HB   ASP  24          2HB       ASP  24   5.224   6.083  -7.287
  205   2HB   ASP  24          1HB       ASP  24   6.271   4.861  -6.573
  206    H    PHE  25           H        PHE  25   4.969   4.719  -4.007
  207    HA   PHE  25           HA       PHE  25   6.138   2.131  -3.664
  208   1HB   PHE  25          2HB       PHE  25   6.707   4.414  -2.486
  209   2HB   PHE  25          1HB       PHE  25   5.439   3.931  -1.366
  210    HD1  PHE  25           1HD      PHE  25   8.219   2.118  -3.077
  211    HD2  PHE  25           2HD      PHE  25   6.320   3.140   0.592
  212    HE1  PHE  25           1HE      PHE  25   9.841   0.729  -1.855
  213    HE2  PHE  25           2HE      PHE  25   7.940   1.753   1.820
  214    HZ   PHE  25           HZ       PHE  25   9.704   0.545   0.597
  215    H    ILE  26           H        ILE  26   3.231   3.778  -2.515
  216    HA   ILE  26           HA       ILE  26   2.186   1.721  -0.933
  217    HB   ILE  26           HB       ILE  26   0.785   3.905  -2.485
  218   1HG1  ILE  26          2HG1      ILE  26   1.544   3.650   0.431
  219   2HG1  ILE  26          1HG1      ILE  26   2.318   4.699  -0.753
  220   1HG2  ILE  26          1HG2      ILE  26  -0.343   2.056  -0.377
  221   2HG2  ILE  26          2HG2      ILE  26  -0.832   2.155  -2.069
  222   3HG2  ILE  26          3HG2      ILE  26  -1.148   3.505  -0.978
  223   1HD1  ILE  26          1HD1      ILE  26   0.858   6.303  -0.329
  224   2HD1  ILE  26          2HD1      ILE  26   0.165   5.294   0.939
  225   3HD1  ILE  26          3HD1      ILE  26  -0.491   5.228  -0.696
  226    H    GLU  27           H        GLU  27   1.776   2.441  -4.387
  227    HA   GLU  27           HA       GLU  27  -0.006   0.256  -4.839
  228   1HB   GLU  27          2HB       GLU  27   0.632   2.488  -6.254
  229   2HB   GLU  27          1HB       GLU  27   1.559   1.278  -7.127
  230   1HG   GLU  27          2HG       GLU  27  -0.526  -0.056  -7.362
  231   2HG   GLU  27          1HG       GLU  27  -1.408   1.287  -6.635
  232    H    LEU  28           H        LEU  28   3.443   0.754  -5.026
  233    HA   LEU  28           HA       LEU  28   4.106  -1.632  -6.384
  234   1HB   LEU  28          2HB       LEU  28   5.796  -0.033  -6.377
  235   2HB   LEU  28          1HB       LEU  28   5.568   0.353  -4.687
  236    HG   LEU  28           HG       LEU  28   6.686  -2.322  -5.432
  237   1HD1  LEU  28          1HD1      LEU  28   7.982  -0.689  -6.723
  238   2HD1  LEU  28          2HD1      LEU  28   8.933  -1.395  -5.416
  239   3HD1  LEU  28          3HD1      LEU  28   8.277   0.233  -5.248
  240   1HD2  LEU  28          1HD2      LEU  28   6.691  -0.490  -3.076
  241   2HD2  LEU  28          2HD2      LEU  28   8.001  -1.651  -3.279
  242   3HD2  LEU  28          3HD2      LEU  28   6.336  -2.215  -3.155
  243    H    ILE  29           H        ILE  29   3.961  -0.806  -2.930
  244    HA   ILE  29           HA       ILE  29   4.691  -3.389  -2.017
  245    HB   ILE  29           HB       ILE  29   3.056  -1.324  -0.533
  246   1HG1  ILE  29          2HG1      ILE  29   5.991  -1.643  -0.115
  247   2HG1  ILE  29          1HG1      ILE  29   5.459  -0.761  -1.541
  248   1HG2  ILE  29          1HG2      ILE  29   4.770  -3.605   0.437
  249   2HG2  ILE  29          2HG2      ILE  29   3.009  -3.522   0.490
  250   3HG2  ILE  29          3HG2      ILE  29   3.974  -2.414   1.464
  251   1HD1  ILE  29          1HD1      ILE  29   5.935   0.433   0.766
  252   2HD1  ILE  29          2HD1      ILE  29   4.255  -0.015   1.059
  253   3HD1  ILE  29          3HD1      ILE  29   4.671   0.989  -0.330
  254    H    GLU  30           H        GLU  30   1.668  -1.876  -2.914
  255    HA   GLU  30           HA       GLU  30   0.005  -3.967  -1.865
  256   1HB   GLU  30          2HB       GLU  30  -0.587  -1.474  -2.404
  257   2HB   GLU  30          1HB       GLU  30  -0.875  -2.086  -4.027
  258   1HG   GLU  30          2HG       GLU  30  -2.307  -3.867  -2.662
  259   2HG   GLU  30          1HG       GLU  30  -2.399  -2.516  -1.531
  260    H    ASN  31           H        ASN  31   1.580  -3.243  -4.896
  261    HA   ASN  31           HA       ASN  31   0.163  -5.119  -6.487
  262   1HB   ASN  31          2HB       ASN  31   2.678  -3.530  -6.784
  263   2HB   ASN  31          1HB       ASN  31   2.388  -4.861  -7.899
  264   1HD2  ASN  31          1HD2      ASN  31   2.069  -3.646  -9.699
  265   2HD2  ASN  31          2HD2      ASN  31   0.727  -2.580  -9.910
  266    H    GLU  32           H        GLU  32   2.896  -5.343  -4.340
  267    HA   GLU  32           HA       GLU  32   3.720  -7.937  -5.303
  268   1HB   GLU  32          2HB       GLU  32   5.302  -6.285  -4.268
  269   2HB   GLU  32          1HB       GLU  32   4.490  -6.545  -2.731
  270   1HG   GLU  32          2HG       GLU  32   6.269  -7.960  -2.525
  271   2HG   GLU  32          1HG       GLU  32   5.056  -9.053  -3.192
  272    H    ILE  33           H        ILE  33   2.020  -6.605  -2.524
  273    HA   ILE  33           HA       ILE  33   1.549  -9.049  -1.187
  274    HB   ILE  33           HB       ILE  33  -0.026  -6.462  -1.109
  275   1HG1  ILE  33          2HG1      ILE  33   1.963  -7.389   0.942
  276   2HG1  ILE  33          1HG1      ILE  33   2.490  -6.515  -0.491
  277   1HG2  ILE  33          1HG2      ILE  33   0.051  -8.439   1.135
  278   2HG2  ILE  33          2HG2      ILE  33  -1.091  -8.660  -0.188
  279   3HG2  ILE  33          3HG2      ILE  33  -1.143  -7.192   0.782
  280   1HD1  ILE  33          1HD1      ILE  33   0.484  -5.506   1.511
  281   2HD1  ILE  33          2HD1      ILE  33   1.120  -4.623   0.123
  282   3HD1  ILE  33          3HD1      ILE  33   2.189  -5.059   1.458
  283    H    LYS  34           H        LYS  34  -0.099  -7.339  -3.778
  284    HA   LYS  34           HA       LYS  34  -2.492  -8.874  -3.715
  285   1HB   LYS  34          2HB       LYS  34  -1.277  -6.837  -5.446
  286   2HB   LYS  34          1HB       LYS  34  -2.253  -8.008  -6.323
  287   1HG   LYS  34          2HG       LYS  34  -4.114  -7.537  -4.730
  288   2HG   LYS  34          1HG       LYS  34  -3.129  -6.240  -4.053
  289   1HD   LYS  34          2HD       LYS  34  -3.298  -6.097  -6.954
  290   2HD   LYS  34          1HD       LYS  34  -4.887  -6.039  -6.189
  291   1HE   LYS  34          2HE       LYS  34  -4.470  -4.048  -5.160
  292   2HE   LYS  34          1HE       LYS  34  -2.740  -4.358  -5.021
  293   1HZ   LYS  34          1HZ       LYS  34  -2.808  -4.115  -7.585
  294   2HZ   LYS  34          2HZ       LYS  34  -2.810  -2.729  -6.616
  295   3HZ   LYS  34          3HZ       LYS  34  -4.254  -3.284  -7.300
  296    H    ARG  35           H        ARG  35   0.498  -9.060  -5.613
  297    HA   ARG  35           HA       ARG  35  -0.274 -11.363  -7.096
  298   1HB   ARG  35          2HB       ARG  35   2.107  -9.679  -6.805
  299   2HB   ARG  35          1HB       ARG  35   2.488 -11.371  -7.099
  300   1HG   ARG  35          2HG       ARG  35   0.851 -11.221  -9.050
  301   2HG   ARG  35          1HG       ARG  35   0.946  -9.472  -8.833
  302   1HD   ARG  35          2HD       ARG  35   3.293  -9.472  -9.253
  303   2HD   ARG  35          1HD       ARG  35   3.361 -11.233  -9.200
  304    HE   ARG  35           HE       ARG  35   1.607 -10.272 -11.239
  305   1HH1  ARG  35          1HH1      ARG  35   4.966 -10.897 -10.488
  306   2HH1  ARG  35          2HH1      ARG  35   5.422 -11.103 -12.146
  307   1HH2  ARG  35          1HH2      ARG  35   2.215 -10.544 -13.414
  308   2HH2  ARG  35          2HH2      ARG  35   3.864 -10.903 -13.803
  309    H    ARG  36           H        ARG  36   1.075 -10.848  -3.945
  310    HA   ARG  36           HA       ARG  36   2.047 -13.542  -3.629
  311   1HB   ARG  36          2HB       ARG  36   1.932 -11.084  -1.945
  312   2HB   ARG  36          1HB       ARG  36   2.147 -12.631  -1.145
  313   1HG   ARG  36          2HG       ARG  36   4.119 -13.050  -2.584
  314   2HG   ARG  36          1HG       ARG  36   3.924 -11.429  -3.255
  315   1HD   ARG  36          2HD       ARG  36   4.821 -10.449  -1.449
  316   2HD   ARG  36          1HD       ARG  36   3.957 -11.503  -0.331
  317    HE   ARG  36           HE       ARG  36   6.139 -12.779  -1.709
  318   1HH1  ARG  36          1HH1      ARG  36   5.216 -10.912   1.103
  319   2HH1  ARG  36          2HH1      ARG  36   6.566 -11.445   2.046
  320   1HH2  ARG  36          1HH2      ARG  36   7.908 -13.472  -0.461
  321   2HH2  ARG  36          2HH2      ARG  36   8.092 -12.895   1.161
  322    H    SER  37           H        SER  37  -1.027 -12.523  -3.846
  323    HA   SER  37           HA       SER  37  -3.035 -13.311  -3.130
  324   1HB   SER  37          2HB       SER  37  -1.765 -15.504  -3.619
  325   2HB   SER  37          1HB       SER  37  -1.591 -15.637  -1.870
  326    HG   SER  37           HG       SER  37  -3.448 -16.696  -2.366
  327    H    LEU  38           H        LEU  38  -1.513 -11.540  -1.454
  328    HA   LEU  38           HA       LEU  38  -2.555 -12.290   1.207
  329   1HB   LEU  38          2HB       LEU  38   0.015 -12.096   0.730
  330   2HB   LEU  38          1HB       LEU  38  -0.296 -10.376   0.846
  331    HG   LEU  38           HG       LEU  38  -1.340 -10.860   3.115
  332   1HD1  LEU  38          1HD1      LEU  38  -1.706 -13.192   3.007
  333   2HD1  LEU  38          2HD1      LEU  38  -0.413 -12.944   4.180
  334   3HD1  LEU  38          3HD1      LEU  38  -0.030 -13.505   2.552
  335   1HD2  LEU  38          1HD2      LEU  38   0.799  -9.788   2.942
  336   2HD2  LEU  38          2HD2      LEU  38   1.594 -11.330   2.626
  337   3HD2  LEU  38          3HD2      LEU  38   0.885 -11.012   4.208
  338    H    GLY  39           H        GLY  39  -3.862 -10.822  -1.023
  339   1HA   GLY  39          2HA       GLY  39  -3.916  -8.039  -0.362
  340   2HA   GLY  39          1HA       GLY  39  -5.049  -8.888  -1.406
  341    H    HIS  40           H        HIS  40  -5.178 -10.684   1.297
  342    HA   HIS  40           HA       HIS  40  -7.572  -9.334   2.210
  343   1HB   HIS  40          2HB       HIS  40  -7.808 -11.337   3.689
  344   2HB   HIS  40          1HB       HIS  40  -7.686 -11.745   1.981
  345    HD1  HIS  40           1HD      HIS  40  -5.934 -13.404   1.362
  346    HD2  HIS  40           2HD      HIS  40  -5.291 -11.771   5.128
  347    HE1  HIS  40           1HE      HIS  40  -3.999 -14.686   2.329
  348    HE2  HIS  40           2HE      HIS  40  -3.627 -13.684   4.610
  349    H    ILE  41           H        ILE  41  -4.292  -9.947   3.236
  350    HA   ILE  41           HA       ILE  41  -4.497  -9.247   5.941
  351    HB   ILE  41           HB       ILE  41  -2.526 -10.293   4.604
  352   1HG1  ILE  41          2HG1      ILE  41  -0.925  -9.594   6.331
  353   2HG1  ILE  41          1HG1      ILE  41  -2.004  -8.280   6.793
  354   1HG2  ILE  41          1HG2      ILE  41  -2.378  -8.036   3.246
  355   2HG2  ILE  41          2HG2      ILE  41  -0.949  -9.002   3.590
  356   3HG2  ILE  41          3HG2      ILE  41  -1.312  -7.587   4.575
  357   1HD1  ILE  41          1HD1      ILE  41  -3.535  -9.713   7.749
  358   2HD1  ILE  41          2HD1      ILE  41  -2.000 -10.490   8.136
  359   3HD1  ILE  41          3HD1      ILE  41  -2.983 -11.096   6.804
  360    H    ILE  42           H        ILE  42  -4.229  -7.363   3.029
  361    HA   ILE  42           HA       ILE  42  -3.801  -4.845   4.359
  362    HB   ILE  42           HB       ILE  42  -4.259  -3.891   2.050
  363   1HG1  ILE  42          2HG1      ILE  42  -4.147  -6.799   1.237
  364   2HG1  ILE  42          1HG1      ILE  42  -5.582  -5.778   1.184
  365   1HG2  ILE  42          1HG2      ILE  42  -2.046  -5.901   2.311
  366   2HG2  ILE  42          2HG2      ILE  42  -2.019  -4.238   2.897
  367   3HG2  ILE  42          3HG2      ILE  42  -2.102  -4.562   1.165
  368   1HD1  ILE  42          1HD1      ILE  42  -3.229  -5.858  -0.593
  369   2HD1  ILE  42          2HD1      ILE  42  -3.949  -4.278  -0.282
  370   3HD1  ILE  42          3HD1      ILE  42  -4.930  -5.575  -0.964
  371    H    SER  43           H        SER  43  -5.299  -3.024   4.131
  372    HA   SER  43           HA       SER  43  -7.988  -3.843   4.769
  373   1HB   SER  43          2HB       SER  43  -6.913  -1.993   6.000
  374   2HB   SER  43          1HB       SER  43  -6.809  -1.063   4.506
  375    HG   SER  43           HG       SER  43  -8.714  -0.374   5.042
  376    H    VAL  44           H        VAL  44  -7.914  -4.810   2.442
  377    HA   VAL  44           HA       VAL  44  -9.104  -2.844   0.600
  378    HB   VAL  44           HB       VAL  44  -7.555  -5.313  -0.189
  379   1HG1  VAL  44          1HG1      VAL  44  -7.550  -4.253  -2.418
  380   2HG1  VAL  44          2HG1      VAL  44  -8.612  -2.992  -1.792
  381   3HG1  VAL  44          3HG1      VAL  44  -9.169  -4.665  -1.854
  382   1HG2  VAL  44          1HG2      VAL  44  -5.996  -3.833   0.808
  383   2HG2  VAL  44          2HG2      VAL  44  -6.698  -2.439  -0.009
  384   3HG2  VAL  44          3HG2      VAL  44  -5.827  -3.658  -0.938
  385    H    SER  45           H        SER  45 -11.072  -3.314  -0.209
  386    HA   SER  45           HA       SER  45 -12.272  -5.865   0.596
  387   1HB   SER  45          2HB       SER  45 -13.517  -3.901   1.293
  388   2HB   SER  45          1HB       SER  45 -13.536  -3.285  -0.359
  389    HG   SER  45           HG       SER  45 -15.403  -4.294  -0.352
  390    H    SER  46           H        SER  46 -11.407  -7.197  -0.995
  391    HA   SER  46           HA       SER  46 -12.118  -6.578  -3.775
  392   1HB   SER  46          2HB       SER  46 -10.549  -8.485  -4.310
  393   2HB   SER  46          1HB       SER  46  -9.789  -7.093  -3.537
  394    HG   SER  46           HG       SER  46  -9.505  -9.471  -2.743