*HEADER    PROTEASE INHIBITOR                      14-MAR-99   1CE3              
*TITLE     PUTATIVE ANCESTRAL PROTEIN ENCODED BY A SINGLE SEQUENCE               
*TITLE    2 REPEAT OF THE MULTIDOMAIN PROTEINASE INHIBITOR FROM                  
*TITLE    3 NICOTIANA ALATA                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: API;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIRST SEQUENCE REPEAT;                                     
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: SINGLE SEQUENCE REPEAT FROM A MULTIDOMAIN             
*COMPND   7 PROTEINASE INHIBITOR                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NICOTIANA ALATA;                                
*SOURCE   3 ORGANISM_COMMON: WINGED TOBACCO;                                     
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*KEYWDS    PROTEASE INHIBITOR, CIRCULAR PERMUTATION, NICOTIANA ALATA             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.J.SCANLON, M.C.S.LEE, M.A.ANDERSON, D.J.CRAIK                       
*REVDAT   2   01-SEP-99 1CE3    1       JRNL                                     
*REVDAT   1   27-MAR-99 1CE3    0                                                

#
#CONSTRAINT FILE
#

assign (resid   1 and name   HA)   (resid   1 and name  HB2)   2.425    0.625    0.625  
assign (resid   1 and name   HA)   (resid   1 and name  HB1)   2.425    0.625    0.625  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.410    0.610    0.610  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HD#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HE#)   4.090    2.290    2.290  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   4.090    2.290    2.290  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name   HN)   (resid   3 and name   HA)   2.210    0.410    0.410  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.100    0.300    0.300  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.650    0.850    0.850  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.650    0.850    0.850  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.650    0.850    0.850  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.250    0.450    0.450  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.650    0.850    0.850  
assign (resid   4 and name  HB2)   (resid  34 and name  HB#)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.650    0.850    0.850  
assign (resid   4 and name  HB1)   (resid  34 and name  HB#)   3.650    1.850    1.850  
assign (resid   4 and name  HB#)   (resid  31 and name HD2#)   4.350    2.550    2.550  
assign (resid   4 and name  HB#)   (resid  34 and name  HB#)   3.585    1.785    1.785  
assign (resid   4 and name  HB#)   (resid  35 and name   HN)   3.745    1.945    1.945  
assign (resid   5 and name   HN)   (resid   5 and name   HA)   2.650    0.850    0.850  
assign (resid   5 and name   HN)   (resid   5 and name   HB)   2.650    0.850    0.850  
assign (resid   5 and name   HN)   (resid   5 and name HG2#)   3.000    1.200    1.200  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.045    1.245    1.245  
assign (resid   5 and name   HA)   (resid   6 and name   HG)   2.650    0.850    0.850  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.400    1.600    1.600  
assign (resid   5 and name   HB)   (resid   7 and name   HN)   2.690    0.890    0.890  
assign (resid   5 and name HG2#)   (resid   6 and name   HN)   4.040    2.240    2.240  
assign (resid   5 and name HG2#)   (resid   7 and name   HN)   4.165    2.365    2.365  
assign (resid   5 and name HG2#)   (resid   7 and name HD2#)   4.455    2.655    2.655  
assign (resid   5 and name HG2#)   (resid  31 and name HD2#)   4.595    2.795    2.795  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.650    0.850    0.850  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.800    1.000    1.000  
assign (resid   6 and name   HN)   (resid   6 and name HD1#)   4.165    2.365    2.365  
assign (resid   6 and name   HN)   (resid   6 and name HD2#)   4.165    2.365    2.365  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.580    0.780    0.780  
assign (resid   6 and name   HA)   (resid   6 and name   HG)   2.650    0.850    0.850  
assign (resid   6 and name   HA)   (resid   6 and name HD1#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   6 and name HD2#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  31 and name HD2#)   3.850    2.050    2.050  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.420    1.620    1.620  
assign (resid   7 and name   HN)   (resid   7 and name   HA)   2.210    0.410    0.410  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.535    0.735    0.735  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.720    0.920    0.920  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   3.140    1.340    1.340  
assign (resid   7 and name   HN)   (resid  31 and name HD2#)   3.895    2.095    2.095  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.240    0.440    0.440  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.690    0.890    0.890  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.765    0.965    0.965  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.765    0.965    0.965  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.560    0.760    0.760  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.130    0.330    0.330  
assign (resid   8 and name   HA)   (resid  30 and name   HN)   2.565    0.765    0.765  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   2.765    0.965    0.965  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   2.765    0.965    0.965  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.630    0.830    0.830  
assign (resid   8 and name  HB#)   (resid  29 and name   HA)   3.470    1.670    1.670  
assign (resid   9 and name    N)   (resid  30 and name    O)   2.400    0.600    0.600  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.315    0.515    0.515  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.365    0.565    0.565  
assign (resid   9 and name   HN)   (resid  12 and name HD1#)   3.960    2.160    2.160  
assign (resid   9 and name   HN)   (resid  30 and name    O)   1.900    0.100    0.100  
assign (resid   9 and name   HN)   (resid  31 and name   HA)   2.735    0.935    0.935  
assign (resid   9 and name   HA)   (resid  10 and name  HD2)   2.410    0.610    0.610  
assign (resid   9 and name   HA)   (resid  10 and name  HD1)   2.410    0.610    0.610  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.090    1.290    1.290  
assign (resid   9 and name  HB2)   (resid  12 and name HD1#)   3.700    1.900    1.900  
assign (resid   9 and name  HB2)   (resid  31 and name  HB#)   3.625    1.825    1.825  
assign (resid   9 and name  HB2)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HB1)   (resid  12 and name   HN)   3.215    1.415    1.415  
assign (resid   9 and name  HB1)   (resid  12 and name HD1#)   3.280    1.480    1.480  
assign (resid   9 and name    O)   (resid  12 and name    N)   2.400    0.600    0.600  
assign (resid   9 and name    O)   (resid  12 and name   HN)   1.900    0.100    0.100  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.595    0.795    0.795  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.295    1.495    1.495  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   3.810    2.010    2.010  
assign (resid  11 and name   HN)   (resid  11 and name  HD2)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  11 and name   HE)   3.075    1.275    1.275  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.225    0.425    0.425  
assign (resid  11 and name   HN)   (resid  12 and name HD1#)   4.085    2.285    2.285  
assign (resid  11 and name   HA)   (resid  11 and name  HD2)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  11 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  11 and name   HE)   3.650    1.850    1.850  
assign (resid  11 and name  HB#)   (resid  11 and name   HE)   3.175    1.375    1.375  
assign (resid  11 and name  HD2)   (resid  49 and name HG1#)   4.165    2.365    2.365  
assign (resid  11 and name  HD1)   (resid  49 and name HG1#)   4.165    2.365    2.365  
assign (resid  11 and name   HE)   (resid  49 and name HG1#)   3.670    1.870    1.870  
assign (resid  12 and name   HN)   (resid  12 and name   HB)   2.160    0.360    0.360  
assign (resid  12 and name   HN)   (resid  12 and name HG1#)   3.405    1.605    1.605  
assign (resid  12 and name   HN)   (resid  12 and name HD1#)   3.250    1.450    1.450  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  12 and name HD1#)   3.030    1.230    1.230  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.100    0.300    0.300  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.400    1.600    1.600  
assign (resid  12 and name   HA)   (resid  43 and name   HA)   2.610    0.810    0.810  
assign (resid  12 and name   HB)   (resid  30 and name HG2#)   4.165    2.365    2.365  
assign (resid  12 and name HG2#)   (resid  13 and name   HN)   3.185    1.385    1.385  
assign (resid  12 and name HG2#)   (resid  14 and name   HN)   3.080    1.280    1.280  
assign (resid  12 and name HG2#)   (resid  14 and name  HE#)   5.230    3.430    3.430  
assign (resid  12 and name HG2#)   (resid  30 and name HG2#)   4.150    2.350    2.350  
assign (resid  12 and name HG2#)   (resid  41 and name  HB2)   3.635    1.835    1.835  
assign (resid  12 and name HG2#)   (resid  41 and name  HD#)   4.025    2.225    2.225  
assign (resid  12 and name HG2#)   (resid  42 and name   HN)   3.685    1.885    1.885  
assign (resid  12 and name HG1#)   (resid  13 and name   HN)   3.375    1.575    1.575  
assign (resid  12 and name HG1#)   (resid  49 and name HG1#)   4.600    2.800    2.800  
assign (resid  12 and name HG1#)   (resid  49 and name HG2#)   4.600    2.800    2.800  
assign (resid  12 and name HD1#)   (resid  13 and name   HN)   3.730    1.930    1.930  
assign (resid  12 and name HD1#)   (resid  31 and name   HA)   4.165    2.365    2.365  
assign (resid  12 and name HD1#)   (resid  32 and name   HN)   3.450    1.650    1.650  
assign (resid  12 and name HD1#)   (resid  32 and name   HA)   4.165    2.365    2.365  
assign (resid  12 and name HD1#)   (resid  41 and name  HB2)   3.360    1.560    1.560  
assign (resid  12 and name HD1#)   (resid  41 and name  HB1)   3.110    1.310    1.310  
assign (resid  12 and name HD1#)   (resid  41 and name  HD#)   4.350    2.550    2.550  
assign (resid  12 and name HD1#)   (resid  49 and name   HB)   3.605    1.805    1.805  
assign (resid  12 and name HD1#)   (resid  49 and name HG1#)   4.680    2.880    2.880  
assign (resid  12 and name HD1#)   (resid  49 and name HG2#)   4.680    2.880    2.880  
assign (resid  13 and name    N)   (resid  42 and name    O)   2.400    0.600    0.600  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.100    0.300    0.300  
assign (resid  13 and name   HN)   (resid  14 and name  HD#)   4.720    2.920    2.920  
assign (resid  13 and name   HN)   (resid  42 and name    O)   1.900    0.100    0.100  
assign (resid  13 and name   HN)   (resid  43 and name   HA)   2.300    0.500    0.500  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.660    0.860    0.860  
assign (resid  13 and name   HA)   (resid  14 and name  HD#)   4.720    2.920    2.920  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.000    1.200    1.200  
assign (resid  13 and name  HB#)   (resid  14 and name  HE#)   5.030    3.230    3.230  
assign (resid  13 and name  HB#)   (resid  42 and name  HD#)   4.125    2.325    2.325  
assign (resid  13 and name  HB#)   (resid  43 and name   HA)   3.495    1.695    1.695  
assign (resid  14 and name    N)   (resid  42 and name    O)   2.400    0.600    0.600  
assign (resid  14 and name   HN)   (resid  14 and name   HA)   2.365    0.565    0.565  
assign (resid  14 and name   HN)   (resid  14 and name  HE#)   4.715    2.915    2.915  
assign (resid  14 and name   HN)   (resid  42 and name   HN)   2.595    0.795    0.795  
assign (resid  14 and name   HN)   (resid  42 and name    O)   1.900    0.100    0.100  
assign (resid  14 and name   HN)   (resid  43 and name   HA)   3.000    1.200    1.200  
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  15 and name   HN)   2.240    0.440    0.440  
assign (resid  14 and name   HA)   (resid  27 and name   HA)   3.570    1.770    1.770  
assign (resid  14 and name   HA)   (resid  28 and name HG2#)   3.900    2.100    2.100  
assign (resid  14 and name   HA)   (resid  28 and name HG1#)   3.765    1.965    1.965  
assign (resid  14 and name   HA)   (resid  28 and name HD1#)   3.840    2.040    2.040  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.650    0.850    0.850  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.650    0.850    0.850  
assign (resid  14 and name  HB#)   (resid  28 and name   HN)   3.545    1.745    1.745  
assign (resid  14 and name  HD#)   (resid  15 and name   HN)   4.055    2.255    2.255  
assign (resid  14 and name  HD#)   (resid  16 and name   HN)   4.720    2.920    2.920  
assign (resid  14 and name  HD#)   (resid  42 and name  HB2)   4.720    2.920    2.920  
assign (resid  14 and name  HE#)   (resid  15 and name   HN)   4.715    2.915    2.915  
assign (resid  14 and name  HE#)   (resid  16 and name   HN)   4.715    2.915    2.915  
assign (resid  14 and name  HE#)   (resid  28 and name HD1#)   4.395    2.595    2.595  
assign (resid  14 and name  HE#)   (resid  42 and name  HB2)   4.670    2.870    2.870  
assign (resid  14 and name  HE#)   (resid  42 and name  HB1)   4.455    2.655    2.655  
assign (resid  14 and name  HE#)   (resid  42 and name  HD#)   5.775    3.975    3.975  
assign (resid  14 and name  HE#)   (resid  42 and name  HE#)   5.775    3.975    3.975  
assign (resid  14 and name    O)   (resid  42 and name    N)   2.400    0.600    0.600  
assign (resid  14 and name    O)   (resid  42 and name   HN)   1.900    0.100    0.100  
assign (resid  15 and name   HN)   (resid  28 and name HD1#)   3.465    1.665    1.665  
assign (resid  15 and name  HA1)   (resid  16 and name   HN)   2.285    0.485    0.485  
assign (resid  15 and name  HA1)   (resid  41 and name   HA)   2.705    0.905    0.905  
assign (resid  15 and name  HA1)   (resid  41 and name  HD#)   3.990    2.190    2.190  
assign (resid  15 and name  HA1)   (resid  42 and name   HN)   3.435    1.635    1.635  
assign (resid  15 and name  HA2)   (resid  16 and name   HN)   2.285    0.485    0.485  
assign (resid  15 and name  HA2)   (resid  41 and name   HA)   2.705    0.905    0.905  
assign (resid  15 and name  HA2)   (resid  41 and name  HD#)   3.990    2.190    2.190  
assign (resid  15 and name  HA2)   (resid  42 and name   HN)   3.435    1.635    1.635  
assign (resid  15 and name  HA#)   (resid  16 and name   HN)   2.135    0.335    0.335  
assign (resid  15 and name  HA#)   (resid  41 and name   HA)   2.505    0.705    0.705  
assign (resid  15 and name  HA#)   (resid  41 and name  HD#)   3.875    2.075    2.075  
assign (resid  15 and name  HA#)   (resid  41 and name  HE#)   4.115    2.315    2.315  
assign (resid  15 and name  HA#)   (resid  42 and name   HN)   3.140    1.340    1.340  
assign (resid  15 and name  HA#)   (resid  42 and name  HD#)   5.150    3.350    3.350  
assign (resid  16 and name    N)   (resid  40 and name    O)   2.400    0.600    0.600  
assign (resid  16 and name   HN)   (resid  16 and name   HB)   2.300    0.500    0.500  
assign (resid  16 and name   HN)   (resid  40 and name   HN)   2.485    0.685    0.685  
assign (resid  16 and name   HN)   (resid  40 and name    O)   1.900    0.100    0.100  
assign (resid  16 and name   HN)   (resid  41 and name   HA)   2.735    0.935    0.935  
assign (resid  16 and name   HN)   (resid  41 and name  HD#)   4.720    2.920    2.920  
assign (resid  16 and name   HN)   (resid  42 and name  HE#)   4.495    2.695    2.695  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.100    0.300    0.300  
assign (resid  16 and name   HB)   (resid  42 and name  HD#)   4.710    2.910    2.910  
assign (resid  16 and name   HB)   (resid  42 and name  HE#)   3.705    1.905    1.905  
assign (resid  16 and name   HB)   (resid  42 and name   HZ)   3.110    1.310    1.310  
assign (resid  16 and name HG1#)   (resid  17 and name   HN)   4.135    2.335    2.335  
assign (resid  16 and name HG1#)   (resid  42 and name  HE#)   5.195    3.395    3.395  
assign (resid  16 and name HG2#)   (resid  17 and name   HN)   4.135    2.335    2.335  
assign (resid  16 and name HG2#)   (resid  42 and name  HE#)   5.195    3.395    3.395  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.755    0.955    0.955  
assign (resid  17 and name   HN)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.470    0.670    0.670  
assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.470    0.670    0.670  
assign (resid  17 and name   HA)   (resid  18 and name  HD#)   2.380    0.580    0.580  
assign (resid  17 and name   HA)   (resid  39 and name   HA)   2.300    0.500    0.500  
assign (resid  17 and name   HA)   (resid  39 and name  HB1)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  40 and name   HN)   2.750    0.950    0.950  
assign (resid  17 and name  HB2)   (resid  18 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name  HB2)   (resid  18 and name  HD1)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  18 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  18 and name  HD1)   3.650    1.850    1.850  
assign (resid  17 and name  HB#)   (resid  18 and name  HD#)   3.305    1.505    1.505  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.130    0.330    0.330  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.815    1.015    1.015  
assign (resid  18 and name  HD#)   (resid  19 and name   HN)   3.695    1.895    1.895  
assign (resid  19 and name   HN)   (resid  19 and name   HA)   2.180    0.380    0.380  
assign (resid  19 and name   HN)   (resid  19 and name  HG#)   3.515    1.715    1.715  
assign (resid  19 and name   HN)   (resid  19 and name  HD#)   4.090    2.290    2.290  
assign (resid  19 and name   HN)   (resid  19 and name   HE)   3.650    1.850    1.850  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.395    0.595    0.595  
assign (resid  19 and name   HA)   (resid  19 and name   HE)   3.650    1.850    1.850  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.300    0.500    0.500  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.260    1.460    1.460  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.260    1.460    1.460  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   3.160    1.360    1.360  
assign (resid  19 and name  HG#)   (resid  20 and name   HN)   4.090    2.290    2.290  
assign (resid  19 and name  HD#)   (resid  20 and name   HN)   4.090    2.290    2.290  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.660    0.860    0.860  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.145    0.345    0.345  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   3.125    1.325    1.325  
assign (resid  21 and name   HN)   (resid  21 and name   HA)   2.270    0.470    0.470  
assign (resid  21 and name   HN)   (resid  21 and name  HG2)   3.310    1.510    1.510  
assign (resid  21 and name   HN)   (resid  21 and name  HG1)   3.310    1.510    1.510  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   3.170    1.370    1.370  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.045    1.245    1.245  
assign (resid  22 and name   HN)   (resid  22 and name   HA)   2.650    0.850    0.850  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.780    0.980    0.980  
assign (resid  22 and name   HN)   (resid  22 and name  HG2)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  22 and name  HG1)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  22 and name  HG#)   3.490    1.690    1.690  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.195    0.395    0.395  
assign (resid  23 and name   HN)   (resid  23 and name   HA)   2.315    0.515    0.515  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.675    0.875    0.875  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.675    0.875    0.875  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.510    0.710    0.710  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   4.090    2.290    2.290  
assign (resid  23 and name   HN)   (resid  23 and name  HD#)   4.090    2.290    2.290  
assign (resid  23 and name   HN)   (resid  23 and name  HE#)   4.090    2.290    2.290  
assign (resid  23 and name   HA)   (resid  23 and name  HD#)   4.090    2.290    2.290  
assign (resid  23 and name  HB2)   (resid  23 and name  HE#)   4.090    2.290    2.290  
assign (resid  23 and name  HB1)   (resid  23 and name  HE#)   4.090    2.290    2.290  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   4.090    2.290    2.290  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.905    1.105    1.105  
assign (resid  24 and name   HN)   (resid  25 and name   HA)   3.650    1.850    1.850  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   4.090    2.290    2.290  
assign (resid  24 and name   HA)   (resid  24 and name  HE#)   4.090    2.290    2.290  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.145    0.345    0.345  
assign (resid  24 and name  HB2)   (resid  24 and name  HE#)   4.090    2.290    2.290  
assign (resid  24 and name  HB1)   (resid  24 and name  HE#)   4.090    2.290    2.290  
assign (resid  24 and name  HB#)   (resid  24 and name  HE#)   3.905    2.105    2.105  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   3.530    1.730    1.730  
assign (resid  24 and name  HB#)   (resid  26 and name   HN)   4.090    2.290    2.290  
assign (resid  24 and name  HB#)   (resid  42 and name  HE#)   4.775    2.975    2.975  
assign (resid  24 and name  HB#)   (resid  42 and name   HZ)   3.685    1.885    1.885  
assign (resid  25 and name   HN)   (resid  25 and name   HA)   2.335    0.535    0.535  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.780    0.980    0.980  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.780    0.980    0.980  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.670    0.870    0.870  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.505    0.705    0.705  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.395    0.595    0.595  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.865    1.065    1.065  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.815    1.015    1.015  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.210    0.410    0.410  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.505    0.705    0.705  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.425    0.625    0.625  
assign (resid  27 and name   HN)   (resid  27 and name  HG2)   3.650    1.850    1.850  
assign (resid  27 and name   HN)   (resid  27 and name  HG1)   3.650    1.850    1.850  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   4.090    2.290    2.290  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   4.090    2.290    2.290  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.860    1.060    1.060  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   4.090    2.290    2.290  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.100    0.300    0.300  
assign (resid  27 and name  HB2)   (resid  27 and name   HE)   3.650    1.850    1.850  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.510    1.710    1.710  
assign (resid  27 and name  HB1)   (resid  27 and name   HE)   3.650    1.850    1.850  
assign (resid  28 and name   HN)   (resid  28 and name   HA)   2.285    0.485    0.485  
assign (resid  28 and name   HN)   (resid  28 and name   HB)   2.650    0.850    0.850  
assign (resid  28 and name   HN)   (resid  28 and name HG2#)   3.015    1.215    1.215  
assign (resid  28 and name   HN)   (resid  28 and name HG12)   3.045    1.245    1.245  
assign (resid  28 and name   HN)   (resid  28 and name HG11)   3.045    1.245    1.245  
assign (resid  28 and name   HN)   (resid  28 and name HG1#)   2.685    0.885    0.885  
assign (resid  28 and name   HN)   (resid  28 and name HD1#)   4.165    2.365    2.365  
assign (resid  28 and name   HA)   (resid  28 and name   HB)   2.365    0.565    0.565  
assign (resid  28 and name   HB)   (resid  29 and name   HN)   2.285    0.485    0.485  
assign (resid  28 and name HG2#)   (resid  29 and name   HN)   3.480    1.680    1.680  
assign (resid  28 and name HG2#)   (resid  30 and name HG2#)   4.680    2.880    2.880  
assign (resid  28 and name HG12)   (resid  30 and name HG2#)   4.165    2.365    2.365  
assign (resid  28 and name HG11)   (resid  30 and name HG2#)   4.165    2.365    2.365  
assign (resid  28 and name HG1#)   (resid  29 and name   HN)   4.090    2.290    2.290  
assign (resid  28 and name HD1#)   (resid  30 and name   HB)   4.165    2.365    2.365  
assign (resid  28 and name HD1#)   (resid  30 and name HG2#)   4.400    2.600    2.600  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.425    0.625    0.625  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.270    0.470    0.470  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   3.325    1.525    1.525  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.100    0.300    0.300  
assign (resid  30 and name   HN)   (resid  30 and name   HB)   2.795    0.995    0.995  
assign (resid  30 and name   HN)   (resid  30 and name HG2#)   3.125    1.325    1.325  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.260    1.460    1.460  
assign (resid  30 and name   HA)   (resid  30 and name   HB)   2.315    0.515    0.515  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.350    0.550    0.550  
assign (resid  30 and name   HB)   (resid  31 and name   HN)   2.970    1.170    1.170  
assign (resid  30 and name   HB)   (resid  41 and name  HE#)   4.715    2.915    2.915  
assign (resid  30 and name HG2#)   (resid  31 and name   HN)   2.970    1.170    1.170  
assign (resid  30 and name HG2#)   (resid  35 and name  HA#)   4.600    2.800    2.800  
assign (resid  30 and name HG2#)   (resid  41 and name  HD#)   5.125    3.325    3.325  
assign (resid  30 and name HG2#)   (resid  41 and name  HE#)   4.485    2.685    2.685  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name   HN)   (resid  34 and name  HB#)   3.050    1.250    1.250  
assign (resid  31 and name   HN)   (resid  35 and name   HN)   3.045    1.245    1.245  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.395    0.595    0.595  
assign (resid  31 and name  HB2)   (resid  31 and name HD21)   2.765    0.965    0.965  
assign (resid  31 and name  HB2)   (resid  31 and name HD22)   2.765    0.965    0.965  
assign (resid  31 and name  HB1)   (resid  31 and name HD21)   2.765    0.965    0.965  
assign (resid  31 and name  HB1)   (resid  31 and name HD22)   2.765    0.965    0.965  
assign (resid  31 and name  HB#)   (resid  31 and name HD2#)   2.515    0.715    0.715  
assign (resid  31 and name HD2#)   (resid  33 and name   HN)   4.085    2.285    2.285  
assign (resid  31 and name HD2#)   (resid  34 and name   HN)   4.085    2.285    2.285  
assign (resid  31 and name HD2#)   (resid  34 and name  HB#)   4.595    2.795    2.795  
assign (resid  32 and name   HN)   (resid  32 and name  HB2)   2.365    0.565    0.565  
assign (resid  32 and name   HN)   (resid  32 and name  HB1)   2.285    0.485    0.485  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.395    0.595    0.595  
assign (resid  32 and name   HA)   (resid  32 and name  HB2)   2.395    0.595    0.595  
assign (resid  32 and name   HA)   (resid  35 and name   HN)   2.985    1.185    1.185  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   2.640    0.840    0.840  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.270    0.470    0.470  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.225    0.425    0.425  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   2.300    0.500    0.500  
assign (resid  33 and name  HB2)   (resid  34 and name   HN)   3.400    1.600    1.600  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   2.425    0.625    0.625  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.740    0.940    0.940  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   2.315    0.515    0.515  
assign (resid  35 and name   HN)   (resid  35 and name  HA1)   2.225    0.425    0.425  
assign (resid  35 and name   HN)   (resid  35 and name  HA2)   2.225    0.425    0.425  
assign (resid  35 and name   HN)   (resid  35 and name  HA#)   2.110    0.310    0.310  
assign (resid  35 and name   HN)   (resid  41 and name  HE#)   4.715    2.915    2.915  
assign (resid  35 and name  HA1)   (resid  36 and name   HN)   2.350    0.550    0.550  
assign (resid  35 and name  HA2)   (resid  36 and name   HN)   2.350    0.550    0.550  
assign (resid  35 and name  HA#)   (resid  41 and name  HE#)   4.115    2.315    2.315  
assign (resid  36 and name   HN)   (resid  36 and name   HA)   2.350    0.550    0.550  
assign (resid  36 and name   HN)   (resid  36 and name   HB)   2.455    0.655    0.655  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.170    1.370    1.370  
assign (resid  36 and name   HN)   (resid  41 and name  HD#)   4.720    2.920    2.920  
assign (resid  36 and name   HN)   (resid  41 and name  HE#)   4.065    2.265    2.265  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.250    0.450    0.450  
assign (resid  36 and name   HA)   (resid  39 and name   HN)   3.650    1.850    1.850  
assign (resid  36 and name   HA)   (resid  54 and name   HN)   2.650    0.850    0.850  
assign (resid  36 and name   HB)   (resid  37 and name   HN)   2.300    0.500    0.500  
assign (resid  36 and name   HB)   (resid  54 and name   HN)   3.015    1.215    1.215  
assign (resid  37 and name   HN)   (resid  37 and name  HG#)   3.470    1.670    1.670  
assign (resid  37 and name   HN)   (resid  37 and name  HD#)   4.040    2.240    2.240  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name   HN)   (resid  54 and name   HN)   2.705    0.905    0.905  
assign (resid  37 and name   HA)   (resid  37 and name  HD#)   3.995    2.195    2.195  
assign (resid  37 and name   HA)   (resid  37 and name  HE#)   4.090    2.290    2.290  
assign (resid  37 and name   HA)   (resid  38 and name   HN)   2.100    0.300    0.300  
assign (resid  37 and name   HA)   (resid  39 and name   HN)   3.400    1.600    1.600  
assign (resid  37 and name  HB#)   (resid  37 and name  HE#)   4.525    2.725    2.725  
assign (resid  37 and name  HB#)   (resid  38 and name   HN)   4.055    2.255    2.255  
assign (resid  37 and name  HB#)   (resid  39 and name   HN)   4.090    2.290    2.290  
assign (resid  37 and name  HG#)   (resid  38 and name   HN)   4.090    2.290    2.290  
assign (resid  37 and name  HD#)   (resid  38 and name   HN)   4.090    2.290    2.290  
assign (resid  38 and name   HN)   (resid  38 and name  HA1)   2.365    0.565    0.565  
assign (resid  38 and name   HN)   (resid  38 and name  HA2)   2.365    0.565    0.565  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.425    0.625    0.625  
assign (resid  39 and name   HN)   (resid  39 and name  HB2)   2.270    0.470    0.470  
assign (resid  39 and name   HN)   (resid  39 and name  HB1)   2.660    0.860    0.860  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.100    0.300    0.300  
assign (resid  39 and name  HB2)   (resid  40 and name   HN)   2.720    0.920    0.920  
assign (resid  39 and name  HB2)   (resid  41 and name  HE#)   4.175    2.375    2.375  
assign (resid  39 and name  HB1)   (resid  40 and name   HN)   2.520    0.720    0.720  
assign (resid  39 and name  HB1)   (resid  41 and name  HD#)   4.720    2.920    2.920  
assign (resid  39 and name  HB1)   (resid  41 and name  HE#)   4.485    2.685    2.685  
assign (resid  40 and name   HN)   (resid  40 and name  HE#)   4.090    2.290    2.290  
assign (resid  40 and name   HN)   (resid  42 and name  HE#)   4.710    2.910    2.910  
assign (resid  40 and name   HN)   (resid  51 and name  HB#)   4.090    2.290    2.290  
assign (resid  40 and name   HA)   (resid  40 and name  HE#)   4.090    2.290    2.290  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.100    0.300    0.300  
assign (resid  40 and name   HA)   (resid  41 and name  HD#)   4.270    2.470    2.470  
assign (resid  40 and name   HA)   (resid  42 and name  HD#)   3.950    2.150    2.150  
assign (resid  40 and name   HA)   (resid  48 and name  HD#)   4.710    2.910    2.910  
assign (resid  40 and name   HA)   (resid  51 and name   HA)   2.240    0.440    0.440  
assign (resid  40 and name  HB#)   (resid  42 and name  HE#)   4.310    2.510    2.510  
assign (resid  40 and name  HB#)   (resid  42 and name   HZ)   3.870    2.070    2.070  
assign (resid  40 and name  HB#)   (resid  48 and name  HD#)   5.150    3.350    3.350  
assign (resid  41 and name    N)   (resid  50 and name    O)   2.400    0.600    0.600  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.625    0.825    0.825  
assign (resid  41 and name   HN)   (resid  48 and name  HD#)   4.710    2.910    2.910  
assign (resid  41 and name   HN)   (resid  50 and name   HN)   2.580    0.780    0.780  
assign (resid  41 and name   HN)   (resid  50 and name    O)   1.900    0.100    0.100  
assign (resid  41 and name   HN)   (resid  51 and name   HA)   2.550    0.750    0.750  
assign (resid  41 and name   HN)   (resid  52 and name   HN)   2.595    0.795    0.795  
assign (resid  41 and name   HA)   (resid  42 and name   HN)   2.195    0.395    0.395  
assign (resid  41 and name   HA)   (resid  42 and name  HD#)   4.710    2.910    2.910  
assign (resid  41 and name  HB2)   (resid  42 and name  HD#)   4.445    2.645    2.645  
assign (resid  41 and name  HB2)   (resid  50 and name   HN)   2.920    1.120    1.120  
assign (resid  41 and name  HB1)   (resid  50 and name   HN)   3.650    1.850    1.850  
assign (resid  41 and name  HD#)   (resid  42 and name   HN)   4.425    2.625    2.625  
assign (resid  41 and name  HD#)   (resid  50 and name   HN)   4.720    2.920    2.920  
assign (resid  41 and name  HD#)   (resid  51 and name   HA)   4.255    2.455    2.455  
assign (resid  41 and name  HD#)   (resid  52 and name   HN)   4.300    2.500    2.500  
assign (resid  41 and name  HD#)   (resid  52 and name  HA1)   4.720    2.920    2.920  
assign (resid  41 and name  HD#)   (resid  52 and name  HA2)   4.720    2.920    2.920  
assign (resid  41 and name  HE#)   (resid  52 and name   HN)   4.145    2.345    2.345  
assign (resid  41 and name  HE#)   (resid  52 and name  HA#)   4.350    2.550    2.550  
assign (resid  41 and name    O)   (resid  49 and name    N)   2.400    0.600    0.600  
assign (resid  41 and name    O)   (resid  49 and name   HN)   1.900    0.100    0.100  
assign (resid  41 and name    O)   (resid  50 and name    N)   2.400    0.600    0.600  
assign (resid  41 and name    O)   (resid  50 and name   HN)   1.900    0.100    0.100  
assign (resid  42 and name   HN)   (resid  42 and name  HB2)   2.650    0.850    0.850  
assign (resid  42 and name   HN)   (resid  42 and name  HB1)   2.650    0.850    0.850  
assign (resid  42 and name   HA)   (resid  43 and name   HN)   2.240    0.440    0.440  
assign (resid  42 and name   HA)   (resid  48 and name   HA)   2.470    0.670    0.670  
assign (resid  42 and name   HA)   (resid  48 and name  HD#)   4.710    2.910    2.910  
assign (resid  42 and name   HA)   (resid  49 and name   HN)   2.285    0.485    0.485  
assign (resid  42 and name  HB2)   (resid  43 and name   HN)   2.660    0.860    0.860  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   2.565    0.765    0.765  
assign (resid  42 and name  HB1)   (resid  48 and name   HA)   3.060    1.260    1.260  
assign (resid  42 and name  HD#)   (resid  48 and name   HN)   4.370    2.570    2.570  
assign (resid  42 and name  HD#)   (resid  48 and name   HA)   3.610    1.810    1.810  
assign (resid  42 and name  HD#)   (resid  48 and name  HB2)   4.710    2.910    2.910  
assign (resid  42 and name  HD#)   (resid  49 and name   HN)   4.325    2.525    2.525  
assign (resid  42 and name  HD#)   (resid  51 and name   HA)   4.710    2.910    2.910  
assign (resid  42 and name  HE#)   (resid  48 and name   HA)   4.620    2.820    2.820  
assign (resid  42 and name  HE#)   (resid  48 and name  HD#)   5.370    3.570    3.570  
assign (resid  42 and name   HZ)   (resid  48 and name  HD#)   4.710    2.910    2.910  
assign (resid  43 and name    N)   (resid  47 and name    O)   2.400    0.600    0.600  
assign (resid  43 and name   HN)   (resid  43 and name  HB2)   2.535    0.735    0.735  
assign (resid  43 and name   HN)   (resid  43 and name  HB1)   2.535    0.735    0.735  
assign (resid  43 and name   HN)   (resid  47 and name    O)   1.900    0.100    0.100  
assign (resid  43 and name   HN)   (resid  49 and name   HN)   2.660    0.860    0.860  
assign (resid  43 and name   HN)   (resid  49 and name HG2#)   2.875    1.075    1.075  
assign (resid  43 and name  HB#)   (resid  49 and name HG2#)   4.600    2.800    2.800  
assign (resid  45 and name   HA)   (resid  45 and name  HB2)   2.350    0.550    0.550  
assign (resid  47 and name   HA)   (resid  48 and name   HN)   2.250    0.450    0.450  
assign (resid  47 and name HG2#)   (resid  48 and name   HN)   3.250    1.450    1.450  
assign (resid  48 and name   HN)   (resid  48 and name   HA)   2.335    0.535    0.535  
assign (resid  48 and name   HN)   (resid  48 and name  HB2)   2.285    0.485    0.485  
assign (resid  48 and name   HN)   (resid  48 and name  HB1)   2.255    0.455    0.455  
assign (resid  48 and name   HN)   (resid  49 and name   HN)   3.650    1.850    1.850  
assign (resid  48 and name   HA)   (resid  48 and name  HB2)   2.410    0.610    0.610  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.100    0.300    0.300  
assign (resid  48 and name   HA)   (resid  49 and name HG2#)   4.165    2.365    2.365  
assign (resid  48 and name   HA)   (resid  50 and name   HN)   3.400    1.600    1.600  
assign (resid  48 and name  HB2)   (resid  49 and name   HN)   3.125    1.325    1.325  
assign (resid  48 and name  HD#)   (resid  49 and name   HN)   4.200    2.400    2.400  
assign (resid  48 and name  HD#)   (resid  50 and name   HN)   4.710    2.910    2.910  
assign (resid  48 and name  HD#)   (resid  50 and name   HA)   4.710    2.910    2.910  
assign (resid  48 and name  HE#)   (resid  50 and name   HA)   3.935    2.135    2.135  
assign (resid  48 and name  HE#)   (resid  51 and name   HN)   4.060    2.260    2.260  
assign (resid  48 and name  HE#)   (resid  51 and name  HB#)   5.150    3.350    3.350  
assign (resid  48 and name  HE#)   (resid  51 and name  HG#)   5.150    3.350    3.350  
assign (resid  48 and name   HZ)   (resid  50 and name   HN)   3.650    1.850    1.850  
assign (resid  48 and name   HZ)   (resid  50 and name   HA)   2.395    0.595    0.595  
assign (resid  48 and name   HZ)   (resid  51 and name   HA)   3.325    1.525    1.525  
assign (resid  48 and name   HZ)   (resid  51 and name  HB#)   3.560    1.760    1.760  
assign (resid  48 and name   HZ)   (resid  51 and name  HG#)   3.610    1.810    1.810  
assign (resid  49 and name   HN)   (resid  49 and name   HB)   2.240    0.440    0.440  
assign (resid  49 and name   HN)   (resid  49 and name HG2#)   3.000    1.200    1.200  
assign (resid  49 and name   HN)   (resid  50 and name   HN)   2.315    0.515    0.515  
assign (resid  49 and name   HB)   (resid  50 and name   HN)   2.160    0.360    0.360  
assign (resid  49 and name HG1#)   (resid  50 and name   HN)   3.340    1.540    1.540  
assign (resid  49 and name HG2#)   (resid  50 and name   HN)   3.495    1.695    1.695  
assign (resid  50 and name   HN)   (resid  51 and name   HN)   3.325    1.525    1.525  
assign (resid  50 and name   HA)   (resid  50 and name  HB2)   2.270    0.470    0.470  
assign (resid  50 and name   HA)   (resid  50 and name  HB1)   2.270    0.470    0.470  
assign (resid  50 and name   HA)   (resid  51 and name   HN)   2.145    0.345    0.345  
assign (resid  50 and name  HB#)   (resid  51 and name   HN)   2.615    0.815    0.815  
assign (resid  51 and name   HN)   (resid  51 and name  HB2)   2.650    0.850    0.850  
assign (resid  51 and name   HN)   (resid  51 and name  HB1)   2.650    0.850    0.850  
assign (resid  51 and name   HN)   (resid  51 and name  HG2)   3.650    1.850    1.850  
assign (resid  51 and name   HN)   (resid  51 and name  HG1)   3.650    1.850    1.850  
assign (resid  51 and name   HA)   (resid  52 and name   HN)   2.145    0.345    0.345  
assign (resid  51 and name  HB2)   (resid  52 and name   HN)   3.540    1.740    1.740  
assign (resid  51 and name  HB1)   (resid  52 and name   HN)   3.540    1.740    1.740  
assign (resid  51 and name  HG#)   (resid  52 and name   HN)   4.090    2.290    2.290  
assign (resid  52 and name   HN)   (resid  52 and name  HA1)   2.300    0.500    0.500  
assign (resid  52 and name   HN)   (resid  52 and name  HA2)   2.300    0.500    0.500  
assign (resid  52 and name   HN)   (resid  52 and name  HA#)   2.185    0.385    0.385  
assign (resid  52 and name   HN)   (resid  53 and name   HN)   3.260    1.460    1.460  
assign (resid  52 and name  HA1)   (resid  53 and name   HN)   2.455    0.655    0.655  
assign (resid  52 and name  HA2)   (resid  53 and name   HN)   2.455    0.655    0.655  
assign (resid  52 and name  HA#)   (resid  53 and name   HN)   2.290    0.490    0.490  
assign (resid  53 and name   HN)   (resid  53 and name  HB#)   2.815    1.015    1.015  
assign (resid  53 and name   HN)   (resid  53 and name  HG#)   3.825    2.025    2.025  
assign (resid  53 and name   HN)   (resid  54 and name   HN)   2.130    0.330    0.330  
assign (resid  54 and name   HN)   (resid  54 and name  HB#)   2.850    1.050    1.050  


assign (resid  12 and name   HA)   (resid  44 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  44 and name   HN)   3.495    1.695    1.695  
assign (resid  13 and name  HB#)   (resid  44 and name   HN)   3.095    1.295    1.295  
assign (resid  14 and name  HE#)   (resid  46 and name   HN)   4.670    2.870    2.870  
assign (resid  43 and name   HN)   (resid  47 and name   HN)   2.795    0.995    0.995  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.115    0.315    0.315  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   2.470    0.670    0.670  
assign (resid  43 and name  HB1)   (resid  44 and name   HN)   2.470    0.670    0.670  
assign (resid  44 and name   HN)   (resid  44 and name  HB2)   2.470    0.670    0.670  
assign (resid  44 and name   HN)   (resid  44 and name  HB1)   2.470    0.670    0.670  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   2.610    0.810    0.810  
assign (resid  44 and name  HB#)   (resid  45 and name   HN)   3.005    1.205    1.205  
assign (resid  45 and name   HN)   (resid  45 and name   HA)   0 0 3.5
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.820    1.020    1.020  
assign (resid  45 and name   HN)   (resid  46 and name   HN)   2.410    0.610    0.610  
assign (resid  46 and name   HN)   (resid  46 and name  HA1)   0 0 3.5
assign (resid  46 and name   HN)   (resid  46 and name  HA2)   0 0 3.5
assign (resid  46 and name   HN)   (resid  46 and name  HA#)   2.060    0.260    0.260  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   2.195    0.395    0.395  
assign (resid  47 and name   HN)   (resid  47 and name   HA)   2.240    0.440    0.440  
assign (resid  47 and name   HN)   (resid  47 and name   HB)   2.285    0.485    0.485  
assign (resid  47 and name   HN)   (resid  47 and name HG2#)   3.340    1.540    1.540  
assign (resid  47 and name   HN)   (resid  48 and name   HN)   3.295    1.495    1.495  

assign (resid  37 and name   HN)   (resid  54 and name   HA)   3.295    1.495    1.495


assign (resid  32 and name   HA)   (resid  34 and name   HN)   0 0 5
assign (resid  43 and name   HA)   (resid  45 and name   HN)   0 0 5






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -11.203   8.492   3.978
    2   2H    MET   1          2H        MET   1 -11.803   6.903   3.974
    3   3H    MET   1          3H        MET   1 -10.145   7.185   4.212
    4    HA   MET   1           HA       MET   1 -10.301   6.481   2.031
    5   1HB   MET   1          1HB       MET   1 -11.976   7.471   0.436
    6   2HB   MET   1          2HB       MET   1 -12.754   6.689   1.793
    7   1HG   MET   1          1HG       MET   1 -12.987   8.903   2.919
    8   2HG   MET   1          2HG       MET   1 -12.235   9.671   1.551
    9   1HE   MET   1          1HE       MET   1 -15.202   7.236   2.408
   10   2HE   MET   1          2HE       MET   1 -15.399   8.774   3.284
   11   3HE   MET   1          3HE       MET   1 -16.527   8.316   2.022
   12    H    LYS   2           H        LYS   2  -9.135   8.718   3.623
   13    HA   LYS   2           HA       LYS   2  -8.641  10.973   1.921
   14   1HB   LYS   2          1HB       LYS   2  -7.183   9.860   4.353
   15   2HB   LYS   2          2HB       LYS   2  -6.668  11.326   3.549
   16   1HG   LYS   2          1HG       LYS   2  -8.064  11.930   5.445
   17   2HG   LYS   2          2HG       LYS   2  -8.904  12.347   3.967
   18   1HD   LYS   2          1HD       LYS   2 -10.357  10.375   4.168
   19   2HD   LYS   2          2HD       LYS   2  -9.435   9.781   5.540
   20   1HE   LYS   2          1HE       LYS   2 -11.512  10.904   6.281
   21   2HE   LYS   2          2HE       LYS   2 -10.124  11.842   6.813
   22   1HZ   LYS   2          1HZ       LYS   2 -11.535  12.400   4.278
   23   2HZ   LYS   2          2HZ       LYS   2 -11.995  13.102   5.756
   24   3HZ   LYS   2          3HZ       LYS   2 -10.447  13.397   5.119
   25    H    ALA   3           H        ALA   3  -7.997  10.365  -0.063
   26    HA   ALA   3           HA       ALA   3  -6.091   8.469  -0.719
   27   1HB   ALA   3          1HB       ALA   3  -7.740   9.308  -2.338
   28   2HB   ALA   3          2HB       ALA   3  -7.013  10.898  -2.280
   29   3HB   ALA   3          3HB       ALA   3  -6.125   9.550  -2.974
   30    H    CYS   4           H        CYS   4  -4.021   8.589   0.078
   31    HA   CYS   4           HA       CYS   4  -2.587  11.060   0.487
   32   1HB   CYS   4          1HB       CYS   4  -1.871   8.146   0.471
   33   2HB   CYS   4          2HB       CYS   4  -0.594   9.309   0.525
   34    H    THR   5           H        THR   5  -0.193  10.990  -0.558
   35    HA   THR   5           HA       THR   5  -0.435  11.798  -3.217
   36    HB   THR   5           HB       THR   5   2.103  10.818  -1.752
   37    HG1  THR   5           HG1      THR   5   0.602  13.231  -1.792
   38   1HG2  THR   5          1HG2      THR   5   2.262  11.468  -4.234
   39   2HG2  THR   5          2HG2      THR   5   1.599  13.036  -3.798
   40   3HG2  THR   5          3HG2      THR   5   3.164  12.536  -3.160
   41    H    LEU   6           H        LEU   6  -0.669  10.730  -4.892
   42    HA   LEU   6           HA       LEU   6  -0.986   7.947  -5.202
   43   1HB   LEU   6          1HB       LEU   6  -0.207   9.939  -7.371
   44   2HB   LEU   6          2HB       LEU   6  -0.993   8.397  -7.636
   45    HG   LEU   6           HG       LEU   6  -2.218  10.711  -6.044
   46   1HD1  LEU   6          1HD1      LEU   6  -2.032  11.219  -8.470
   47   2HD1  LEU   6          2HD1      LEU   6  -2.829   9.703  -8.860
   48   3HD1  LEU   6          3HD1      LEU   6  -3.709  10.967  -8.016
   49   1HD2  LEU   6          1HD2      LEU   6  -3.447   8.081  -7.003
   50   2HD2  LEU   6          2HD2      LEU   6  -3.069   8.469  -5.333
   51   3HD2  LEU   6          3HD2      LEU   6  -4.308   9.370  -6.178
   52    H    ASN   7           H        ASN   7   1.925   9.664  -4.977
   53    HA   ASN   7           HA       ASN   7   3.673   8.301  -6.587
   54   1HB   ASN   7          1HB       ASN   7   4.108   9.574  -3.860
   55   2HB   ASN   7          2HB       ASN   7   5.423   9.077  -4.914
   56   1HD2  ASN   7          2HD2      ASN   7   5.682  11.608  -4.483
   57   2HD2  ASN   7          1HD2      ASN   7   5.035  12.602  -5.698
   58    H    CYS   8           H        CYS   8   5.499   7.010  -5.760
   59    HA   CYS   8           HA       CYS   8   4.536   4.455  -4.802
   60   1HB   CYS   8          1HB       CYS   8   7.442   4.798  -4.780
   61   2HB   CYS   8          2HB       CYS   8   6.468   3.636  -5.610
   62    H    ASP   9           H        ASP   9   4.467   3.697  -2.801
   63    HA   ASP   9           HA       ASP   9   5.717   5.274  -0.615
   64   1HB   ASP   9          1HB       ASP   9   3.320   4.857  -0.455
   65   2HB   ASP   9          2HB       ASP   9   3.573   3.141  -0.640
   66    HA   PRO  10           HA       PRO  10   9.017   2.439  -0.984
   67   1HB   PRO  10          1HB       PRO  10  10.045   2.653   1.671
   68   2HB   PRO  10          2HB       PRO  10  10.526   3.587   0.264
   69   1HG   PRO  10          1HG       PRO  10   8.808   4.384   2.521
   70   2HG   PRO  10          2HG       PRO  10   9.650   5.399   1.358
   71   1HD   PRO  10          1HD       PRO  10   6.871   4.930   1.399
   72   2HD   PRO  10          2HD       PRO  10   7.776   5.584   0.020
   73    H    ARG  11           H        ARG  11   6.773   2.038   1.550
   74    HA   ARG  11           HA       ARG  11   7.585  -0.681   2.304
   75   1HB   ARG  11          1HB       ARG  11   4.950   0.704   2.936
   76   2HB   ARG  11          2HB       ARG  11   5.682  -0.628   3.794
   77   1HG   ARG  11          1HG       ARG  11   7.459   0.747   4.678
   78   2HG   ARG  11          2HG       ARG  11   7.041   2.095   3.636
   79   1HD   ARG  11          1HD       ARG  11   5.239   0.966   5.810
   80   2HD   ARG  11          2HD       ARG  11   6.165   2.459   5.932
   81    HE   ARG  11           HE       ARG  11   4.850   3.221   3.869
   82   1HH1  ARG  11          1HH1      ARG  11   3.520   0.937   6.148
   83   2HH1  ARG  11          2HH1      ARG  11   1.894   1.360   5.746
   84   1HH2  ARG  11          1HH2      ARG  11   2.806   3.737   3.381
   85   2HH2  ARG  11          2HH2      ARG  11   1.481   2.956   4.175
   86    H    ILE  12           H        ILE  12   5.169   0.924   0.373
   87    HA   ILE  12           HA       ILE  12   3.685  -1.460  -0.334
   88    HB   ILE  12           HB       ILE  12   3.738   1.318  -1.572
   89   1HG1  ILE  12          1HG1      ILE  12   3.067   0.962   0.962
   90   2HG1  ILE  12          2HG1      ILE  12   2.044   1.966  -0.035
   91   1HG2  ILE  12          1HG2      ILE  12   1.719  -0.929  -1.933
   92   2HG2  ILE  12          2HG2      ILE  12   1.502   0.718  -2.500
   93   3HG2  ILE  12          3HG2      ILE  12   2.790  -0.276  -3.156
   94   1HD1  ILE  12          1HD1      ILE  12   1.534  -0.944   0.569
   95   2HD1  ILE  12          2HD1      ILE  12   0.761   0.436   1.349
   96   3HD1  ILE  12          3HD1      ILE  12   0.502   0.150  -0.358
   97    H    ALA  13           H        ALA  13   3.866  -2.741  -1.904
   98    HA   ALA  13           HA       ALA  13   6.036  -2.374  -3.939
   99   1HB   ALA  13          1HB       ALA  13   6.333  -4.290  -2.400
  100   2HB   ALA  13          2HB       ALA  13   4.785  -4.950  -2.885
  101   3HB   ALA  13          3HB       ALA  13   6.087  -4.850  -4.042
  102    H    TYR  14           H        TYR  14   3.083  -4.258  -3.576
  103    HA   TYR  14           HA       TYR  14   1.962  -3.116  -6.073
  104   1HB   TYR  14          1HB       TYR  14   1.257  -5.525  -6.733
  105   2HB   TYR  14          2HB       TYR  14   2.936  -5.164  -6.964
  106    HD1  TYR  14           HD1      TYR  14   4.574  -5.837  -5.080
  107    HD2  TYR  14           HD2      TYR  14   0.654  -7.417  -5.443
  108    HE1  TYR  14           HE1      TYR  14   5.212  -7.724  -3.679
  109    HE2  TYR  14           HE2      TYR  14   1.289  -9.312  -4.026
  110    HH   TYR  14           HH       TYR  14   4.461 -10.095  -3.329
  111    H    GLY  15           H        GLY  15  -0.309  -4.150  -6.312
  112   1HA   GLY  15          1HA       GLY  15  -1.631  -4.798  -3.791
  113   2HA   GLY  15          2HA       GLY  15  -2.046  -3.212  -4.429
  114    H    VAL  16           H        VAL  16  -3.725  -5.402  -4.028
  115    HA   VAL  16           HA       VAL  16  -4.643  -5.983  -6.832
  116    HB   VAL  16           HB       VAL  16  -4.744  -7.676  -4.281
  117   1HG1  VAL  16          1HG1      VAL  16  -6.233  -8.237  -6.885
  118   2HG1  VAL  16          2HG1      VAL  16  -6.099  -9.341  -5.526
  119   3HG1  VAL  16          3HG1      VAL  16  -6.995  -7.850  -5.351
  120   1HG2  VAL  16          1HG2      VAL  16  -2.701  -7.849  -5.690
  121   2HG2  VAL  16          2HG2      VAL  16  -3.611  -9.347  -5.734
  122   3HG2  VAL  16          3HG2      VAL  16  -3.689  -8.232  -7.088
  123    H    CYS  17           H        CYS  17  -7.000  -6.143  -6.941
  124    HA   CYS  17           HA       CYS  17  -8.605  -4.836  -4.872
  125   1HB   CYS  17          1HB       CYS  17  -8.382  -3.597  -7.643
  126   2HB   CYS  17          2HB       CYS  17  -9.305  -2.958  -6.326
  127    HA   PRO  18           HA       PRO  18 -11.986  -7.068  -7.063
  128   1HB   PRO  18          1HB       PRO  18 -13.306  -4.483  -7.678
  129   2HB   PRO  18          2HB       PRO  18 -13.917  -5.889  -6.820
  130   1HG   PRO  18          1HG       PRO  18 -13.031  -3.466  -5.647
  131   2HG   PRO  18          2HG       PRO  18 -13.375  -4.961  -4.790
  132   1HD   PRO  18          1HD       PRO  18 -10.795  -3.722  -5.223
  133   2HD   PRO  18          2HD       PRO  18 -11.134  -5.214  -4.337
  134    H    ARG  19           H        ARG  19 -11.325  -7.841  -8.889
  135    HA   ARG  19           HA       ARG  19 -10.714  -8.122 -11.093
  136   1HB   ARG  19          1HB       ARG  19 -12.847  -6.349 -11.115
  137   2HB   ARG  19          2HB       ARG  19 -11.668  -5.410 -12.000
  138   1HG   ARG  19          1HG       ARG  19 -11.281  -7.426 -13.488
  139   2HG   ARG  19          2HG       ARG  19 -12.567  -8.257 -12.630
  140   1HD   ARG  19          1HD       ARG  19 -12.895  -5.628 -14.129
  141   2HD   ARG  19          2HD       ARG  19 -13.396  -7.211 -14.727
  142    HE   ARG  19           HE       ARG  19 -14.592  -6.856 -12.186
  143   1HH1  ARG  19          1HH1      ARG  19 -14.673  -5.471 -15.360
  144   2HH1  ARG  19          2HH1      ARG  19 -16.322  -4.964 -15.221
  145   1HH2  ARG  19          1HH2      ARG  19 -16.681  -6.223 -11.986
  146   2HH2  ARG  19          2HH2      ARG  19 -17.478  -5.396 -13.283
  147    H    SER  20           H        SER  20  -8.607  -7.930 -10.166
  148    HA   SER  20           HA       SER  20  -6.866  -6.152 -11.688
  149   1HB   SER  20          1HB       SER  20  -6.882  -6.010  -8.629
  150   2HB   SER  20          2HB       SER  20  -5.693  -5.211  -9.663
  151    HG   SER  20           HG       SER  20  -8.465  -4.760  -9.453
  152    H    GLU  21           H        GLU  21  -5.918  -7.889 -12.513
  153    HA   GLU  21           HA       GLU  21  -5.171 -10.215 -11.053
  154   1HB   GLU  21          1HB       GLU  21  -5.855 -10.096 -13.503
  155   2HB   GLU  21          2HB       GLU  21  -4.314  -9.353 -13.858
  156   1HG   GLU  21          1HG       GLU  21  -4.318 -11.812 -14.334
  157   2HG   GLU  21          2HG       GLU  21  -3.118 -11.439 -13.122
  158    H    GLU  22           H        GLU  22  -2.562  -9.783 -12.987
  159    HA   GLU  22           HA       GLU  22  -0.332  -9.278 -12.773
  160   1HB   GLU  22          1HB       GLU  22  -0.960  -6.960 -12.140
  161   2HB   GLU  22          2HB       GLU  22  -1.258  -7.438 -10.482
  162   1HG   GLU  22          1HG       GLU  22   1.163  -8.121 -10.266
  163   2HG   GLU  22          2HG       GLU  22   1.441  -7.510 -11.881
  164    H    LYS  23           H        LYS  23   1.403 -10.189 -11.763
  165    HA   LYS  23           HA       LYS  23   0.985 -12.340  -9.965
  166   1HB   LYS  23          1HB       LYS  23   2.756 -12.297 -11.632
  167   2HB   LYS  23          2HB       LYS  23   3.466 -10.862 -10.932
  168   1HG   LYS  23          1HG       LYS  23   4.043 -12.124  -8.885
  169   2HG   LYS  23          2HG       LYS  23   3.276 -13.562  -9.548
  170   1HD   LYS  23          1HD       LYS  23   4.885 -13.477 -11.479
  171   2HD   LYS  23          2HD       LYS  23   5.650 -12.067 -10.758
  172   1HE   LYS  23          1HE       LYS  23   6.180 -13.382  -8.741
  173   2HE   LYS  23          2HE       LYS  23   5.403 -14.793  -9.456
  174   1HZ   LYS  23          1HZ       LYS  23   7.011 -14.715 -11.253
  175   2HZ   LYS  23          2HZ       LYS  23   7.759 -13.362 -10.550
  176   3HZ   LYS  23          3HZ       LYS  23   7.788 -14.860  -9.749
  177    H    LYS  24           H        LYS  24   1.918 -12.587  -7.819
  178    HA   LYS  24           HA       LYS  24   1.612 -10.099  -6.227
  179   1HB   LYS  24          1HB       LYS  24   1.900 -12.117  -4.337
  180   2HB   LYS  24          2HB       LYS  24   0.383 -11.568  -4.985
  181   1HG   LYS  24          1HG       LYS  24   0.358 -13.337  -6.679
  182   2HG   LYS  24          2HG       LYS  24   1.946 -13.886  -6.185
  183   1HD   LYS  24          1HD       LYS  24  -0.557 -13.905  -4.436
  184   2HD   LYS  24          2HD       LYS  24   0.113 -15.303  -5.249
  185   1HE   LYS  24          1HE       LYS  24   1.481 -13.707  -3.027
  186   2HE   LYS  24          2HE       LYS  24   0.834 -15.330  -2.913
  187   1HZ   LYS  24          1HZ       LYS  24   2.421 -15.903  -4.764
  188   2HZ   LYS  24          2HZ       LYS  24   3.176 -14.417  -4.443
  189   3HZ   LYS  24          3HZ       LYS  24   3.093 -15.606  -3.233
  190    H    ASN  25           H        ASN  25   3.761  -9.792  -7.499
  191    HA   ASN  25           HA       ASN  25   5.852  -9.471  -5.633
  192   1HB   ASN  25          1HB       ASN  25   5.813 -12.065  -7.091
  193   2HB   ASN  25          2HB       ASN  25   7.316 -11.197  -7.314
  194   1HD2  ASN  25          2HD2      ASN  25   5.914 -13.457  -5.355
  195   2HD2  ASN  25          1HD2      ASN  25   6.783 -13.182  -3.923
  196    H    ASP  26           H        ASP  26   5.433  -7.509  -6.605
  197    HA   ASP  26           HA       ASP  26   7.219  -6.830  -8.805
  198   1HB   ASP  26          1HB       ASP  26   4.787  -5.608  -9.725
  199   2HB   ASP  26          2HB       ASP  26   5.651  -6.900 -10.515
  200    H    ARG  27           H        ARG  27   8.160  -5.167  -7.658
  201    HA   ARG  27           HA       ARG  27   6.469  -3.544  -5.866
  202   1HB   ARG  27          1HB       ARG  27   8.577  -4.229  -4.971
  203   2HB   ARG  27          2HB       ARG  27   9.449  -3.727  -6.399
  204   1HG   ARG  27          1HG       ARG  27   9.272  -1.398  -5.854
  205   2HG   ARG  27          2HG       ARG  27   7.984  -1.674  -4.699
  206   1HD   ARG  27          1HD       ARG  27  10.850  -2.685  -4.394
  207   2HD   ARG  27          2HD       ARG  27  10.231  -1.236  -3.620
  208    HE   ARG  27           HE       ARG  27   9.655  -4.005  -2.855
  209   1HH1  ARG  27          1HH1      ARG  27   8.625  -0.696  -2.691
  210   2HH1  ARG  27          2HH1      ARG  27   7.697  -0.943  -1.252
  211   1HH2  ARG  27          1HH2      ARG  27   8.482  -4.329  -1.032
  212   2HH2  ARG  27          2HH2      ARG  27   7.608  -3.022  -0.303
  213    H    ILE  28           H        ILE  28   5.173  -2.773  -7.696
  214    HA   ILE  28           HA       ILE  28   6.264  -0.942  -9.601
  215    HB   ILE  28           HB       ILE  28   3.362  -1.014  -8.888
  216   1HG1  ILE  28          1HG1      ILE  28   3.572  -3.079 -10.825
  217   2HG1  ILE  28          2HG1      ILE  28   4.923  -3.419  -9.772
  218   1HG2  ILE  28          1HG2      ILE  28   4.798  -0.978 -11.516
  219   2HG2  ILE  28          2HG2      ILE  28   3.047  -0.955 -11.300
  220   3HG2  ILE  28          3HG2      ILE  28   4.007   0.391 -10.732
  221   1HD1  ILE  28          1HD1      ILE  28   3.365  -3.320  -7.825
  222   2HD1  ILE  28          2HD1      ILE  28   2.028  -3.037  -8.924
  223   3HD1  ILE  28          3HD1      ILE  28   2.906  -4.557  -8.988
  224    H    CYS  29           H        CYS  29   4.874   1.261  -9.607
  225    HA   CYS  29           HA       CYS  29   5.464   2.569  -7.019
  226   1HB   CYS  29          1HB       CYS  29   6.424   3.534  -9.070
  227   2HB   CYS  29          2HB       CYS  29   4.825   3.745  -9.738
  228    H    THR  30           H        THR  30   3.818   2.369  -5.678
  229    HA   THR  30           HA       THR  30   1.322   3.757  -6.211
  230    HB   THR  30           HB       THR  30   0.841   1.539  -7.340
  231    HG1  THR  30           HG1      THR  30  -0.454   1.683  -4.833
  232   1HG2  THR  30          1HG2      THR  30   2.340   0.080  -5.842
  233   2HG2  THR  30          2HG2      THR  30   1.173   0.333  -4.552
  234   3HG2  THR  30          3HG2      THR  30   0.698  -0.522  -6.003
  235    H    ASN  31           H        ASN  31  -0.206   3.310  -4.235
  236    HA   ASN  31           HA       ASN  31   1.254   2.831  -1.719
  237   1HB   ASN  31          1HB       ASN  31   1.695   5.204  -2.188
  238   2HB   ASN  31          2HB       ASN  31   0.000   5.497  -2.491
  239   1HD2  ASN  31          2HD2      ASN  31  -0.213   7.063  -0.888
  240   2HD2  ASN  31          1HD2      ASN  31  -0.086   6.729   0.769
  241    H    CYS  32           H        CYS  32  -0.109   2.593   0.109
  242    HA   CYS  32           HA       CYS  32  -2.732   1.455  -0.514
  243   1HB   CYS  32          1HB       CYS  32  -1.482   0.246   1.122
  244   2HB   CYS  32          2HB       CYS  32  -1.085   1.695   1.999
  245    H    CYS  33           H        CYS  33  -1.612   4.035   1.702
  246    HA   CYS  33           HA       CYS  33  -4.169   4.947   2.488
  247   1HB   CYS  33          1HB       CYS  33  -2.257   5.772   3.658
  248   2HB   CYS  33          2HB       CYS  33  -1.536   6.388   2.191
  249    H    ALA  34           H        ALA  34  -2.543   5.308  -0.488
  250    HA   ALA  34           HA       ALA  34  -4.291   7.498  -1.475
  251   1HB   ALA  34          1HB       ALA  34  -2.151   5.808  -2.902
  252   2HB   ALA  34          2HB       ALA  34  -2.922   7.244  -3.553
  253   3HB   ALA  34          3HB       ALA  34  -1.846   7.375  -2.174
  254    H    GLY  35           H        GLY  35  -3.276   4.331  -2.486
  255   1HA   GLY  35          1HA       GLY  35  -4.340   2.738  -3.856
  256   2HA   GLY  35          2HA       GLY  35  -5.136   2.527  -2.319
  257    H    THR  36           H        THR  36  -6.963   1.766  -3.031
  258    HA   THR  36           HA       THR  36  -8.932   3.605  -4.171
  259    HB   THR  36           HB       THR  36  -8.781   0.896  -5.427
  260    HG1  THR  36           HG1      THR  36  -7.315   3.226  -6.159
  261   1HG2  THR  36          1HG2      THR  36  -9.517   3.654  -6.562
  262   2HG2  THR  36          2HG2      THR  36  -9.708   2.129  -7.410
  263   3HG2  THR  36          3HG2      THR  36 -10.705   2.484  -6.017
  264    H    LYS  37           H        LYS  37 -11.063   2.210  -4.313
  265    HA   LYS  37           HA       LYS  37 -11.631   1.307  -1.648
  266   1HB   LYS  37          1HB       LYS  37 -13.495   2.242  -2.579
  267   2HB   LYS  37          2HB       LYS  37 -13.114   1.716  -4.201
  268   1HG   LYS  37          1HG       LYS  37 -13.912  -0.588  -3.668
  269   2HG   LYS  37          2HG       LYS  37 -14.298  -0.079  -2.034
  270   1HD   LYS  37          1HD       LYS  37 -15.525   1.097  -4.570
  271   2HD   LYS  37          2HD       LYS  37 -16.286  -0.125  -3.573
  272   1HE   LYS  37          1HE       LYS  37 -16.273   1.463  -1.632
  273   2HE   LYS  37          2HE       LYS  37 -15.570   2.702  -2.667
  274   1HZ   LYS  37          1HZ       LYS  37 -18.170   1.367  -3.109
  275   2HZ   LYS  37          2HZ       LYS  37 -17.941   2.939  -2.510
  276   3HZ   LYS  37          3HZ       LYS  37 -17.484   2.563  -4.102
  277    H    GLY  38           H        GLY  38 -11.894  -0.610  -0.787
  278   1HA   GLY  38          1HA       GLY  38 -11.694  -2.866  -0.364
  279   2HA   GLY  38          2HA       GLY  38 -12.305  -3.116  -1.981
  280    H    CYS  39           H        CYS  39  -9.308  -1.458  -2.019
  281    HA   CYS  39           HA       CYS  39  -8.018  -3.764  -3.200
  282   1HB   CYS  39          1HB       CYS  39  -7.011  -1.041  -2.457
  283   2HB   CYS  39          2HB       CYS  39  -6.093  -2.197  -3.372
  284    H    LYS  40           H        LYS  40  -5.707  -4.159  -2.606
  285    HA   LYS  40           HA       LYS  40  -5.094  -4.252   0.293
  286   1HB   LYS  40          1HB       LYS  40  -4.703  -6.728   0.134
  287   2HB   LYS  40          2HB       LYS  40  -6.380  -6.276  -0.032
  288   1HG   LYS  40          1HG       LYS  40  -5.609  -6.262  -2.689
  289   2HG   LYS  40          2HG       LYS  40  -4.473  -7.412  -2.042
  290   1HD   LYS  40          1HD       LYS  40  -6.389  -8.651  -2.824
  291   2HD   LYS  40          2HD       LYS  40  -6.370  -8.732  -1.075
  292   1HE   LYS  40          1HE       LYS  40  -8.660  -8.248  -2.008
  293   2HE   LYS  40          2HE       LYS  40  -8.122  -6.968  -0.940
  294   1HZ   LYS  40          1HZ       LYS  40  -7.739  -6.878  -3.872
  295   2HZ   LYS  40          2HZ       LYS  40  -9.114  -6.253  -3.096
  296   3HZ   LYS  40          3HZ       LYS  40  -7.580  -5.609  -2.758
  297    H    TYR  41           H        TYR  41  -3.242  -3.126   0.211
  298    HA   TYR  41           HA       TYR  41  -1.268  -3.690  -1.885
  299   1HB   TYR  41          1HB       TYR  41  -1.640  -1.450   0.090
  300   2HB   TYR  41          2HB       TYR  41  -0.253  -1.617  -0.964
  301    HD1  TYR  41           HD1      TYR  41  -3.881  -0.956  -0.863
  302    HD2  TYR  41           HD2      TYR  41  -0.454  -1.261  -3.376
  303    HE1  TYR  41           HE1      TYR  41  -5.122   0.089  -2.699
  304    HE2  TYR  41           HE2      TYR  41  -1.705  -0.220  -5.204
  305    HH   TYR  41           HH       TYR  41  -5.004   0.975  -4.736
  306    H    PHE  42           H        PHE  42   0.392  -4.765  -1.535
  307    HA   PHE  42           HA       PHE  42   1.495  -5.243   1.165
  308   1HB   PHE  42          1HB       PHE  42   2.203  -7.442  -0.506
  309   2HB   PHE  42          2HB       PHE  42   1.079  -7.412   0.825
  310    HD1  PHE  42           HD1      PHE  42   1.011  -6.343  -2.775
  311    HD2  PHE  42           HD2      PHE  42  -0.967  -8.282   0.447
  312    HE1  PHE  42           HE1      PHE  42  -0.896  -6.888  -4.248
  313    HE2  PHE  42           HE2      PHE  42  -2.858  -8.824  -1.019
  314    HZ   PHE  42           HZ       PHE  42  -2.812  -8.125  -3.375
  315    H    SER  43           H        SER  43   3.676  -5.784   1.261
  316    HA   SER  43           HA       SER  43   5.406  -4.202  -0.427
  317   1HB   SER  43          1HB       SER  43   6.111  -6.102   1.852
  318   2HB   SER  43          2HB       SER  43   6.990  -4.717   1.234
  319    HG   SER  43           HG       SER  43   5.925  -3.545   2.547
  320    H    ASP  44           H        ASP  44   7.509  -5.412  -0.899
  321    HA   ASP  44           HA       ASP  44   6.818  -7.848  -2.485
  322   1HB   ASP  44          1HB       ASP  44   8.192  -5.537  -3.225
  323   2HB   ASP  44          2HB       ASP  44   9.506  -6.658  -2.931
  324    H    ASP  45           H        ASP  45   8.461  -6.966   0.310
  325    HA   ASP  45           HA       ASP  45  10.371  -9.203   0.280
  326   1HB   ASP  45          1HB       ASP  45  11.012  -8.349   2.519
  327   2HB   ASP  45          2HB       ASP  45  10.947  -7.031   1.364
  328    H    GLY  46           H        GLY  46   7.204  -9.302   0.442
  329   1HA   GLY  46          1HA       GLY  46   5.756 -10.918   1.102
  330   2HA   GLY  46          2HA       GLY  46   7.080 -11.745   1.935
  331    H    THR  47           H        THR  47   5.399  -8.627   2.198
  332    HA   THR  47           HA       THR  47   4.473  -9.166   4.841
  333    HB   THR  47           HB       THR  47   6.507  -6.973   4.215
  334    HG1  THR  47           HG1      THR  47   6.424  -9.301   5.819
  335   1HG2  THR  47          1HG2      THR  47   5.119  -7.601   6.900
  336   2HG2  THR  47          2HG2      THR  47   6.334  -6.359   6.651
  337   3HG2  THR  47          3HG2      THR  47   4.743  -6.182   5.935
  338    H    PHE  48           H        PHE  48   2.425  -8.596   4.649
  339    HA   PHE  48           HA       PHE  48   1.407  -6.816   2.663
  340   1HB   PHE  48          1HB       PHE  48   0.043  -8.613   3.670
  341   2HB   PHE  48          2HB       PHE  48   0.160  -7.854   5.244
  342    HD1  PHE  48           HD1      PHE  48  -0.769  -6.665   1.781
  343    HD2  PHE  48           HD2      PHE  48  -1.842  -6.849   5.897
  344    HE1  PHE  48           HE1      PHE  48  -2.809  -5.403   1.306
  345    HE2  PHE  48           HE2      PHE  48  -3.882  -5.580   5.416
  346    HZ   PHE  48           HZ       PHE  48  -4.375  -4.855   3.118
  347    H    VAL  49           H        VAL  49   0.639  -4.701   2.779
  348    HA   VAL  49           HA       VAL  49   1.734  -3.128   5.088
  349    HB   VAL  49           HB       VAL  49   0.807  -2.116   2.336
  350   1HG1  VAL  49          1HG1      VAL  49   2.400  -0.802   4.580
  351   2HG1  VAL  49          2HG1      VAL  49   2.023  -0.046   3.045
  352   3HG1  VAL  49          3HG1      VAL  49   0.734  -0.424   4.173
  353   1HG2  VAL  49          1HG2      VAL  49   3.632  -2.629   3.361
  354   2HG2  VAL  49          2HG2      VAL  49   2.818  -3.579   2.129
  355   3HG2  VAL  49          3HG2      VAL  49   3.224  -1.903   1.817
  356    H    CYS  50           H        CYS  50  -1.039  -2.510   2.825
  357    HA   CYS  50           HA       CYS  50  -2.977  -3.077   4.886
  358   1HB   CYS  50          1HB       CYS  50  -3.768  -0.840   5.357
  359   2HB   CYS  50          2HB       CYS  50  -2.149  -1.037   5.900
  360    H    GLU  51           H        GLU  51  -5.144  -2.014   4.251
  361    HA   GLU  51           HA       GLU  51  -5.487  -2.632   1.389
  362   1HB   GLU  51          1HB       GLU  51  -7.097  -3.836   2.518
  363   2HB   GLU  51          2HB       GLU  51  -7.191  -2.703   3.845
  364   1HG   GLU  51          1HG       GLU  51  -8.742  -1.311   2.750
  365   2HG   GLU  51          2HG       GLU  51  -8.390  -1.909   1.151
  366    H    GLY  52           H        GLY  52  -6.126  -1.329  -0.097
  367   1HA   GLY  52          1HA       GLY  52  -5.759   1.462   0.067
  368   2HA   GLY  52          2HA       GLY  52  -6.577   0.643  -1.254
  369    H    GLU  53           H        GLU  53  -7.490   3.022  -0.681
  370    HA   GLU  53           HA       GLU  53 -10.234   2.555   0.104
  371   1HB   GLU  53          1HB       GLU  53 -10.084   4.316   2.048
  372   2HB   GLU  53          2HB       GLU  53  -9.508   2.705   2.365
  373   1HG   GLU  53          1HG       GLU  53  -7.958   4.535   3.193
  374   2HG   GLU  53          2HG       GLU  53  -7.183   3.361   2.157
  375    H    SER  54           H        SER  54  -8.672   3.708  -2.129
  376    HA   SER  54           HA       SER  54  -8.575   5.630  -3.473
  377   1HB   SER  54          1HB       SER  54 -10.935   6.335  -4.096
  378   2HB   SER  54          2HB       SER  54 -10.842   4.583  -3.914
  379    HG   SER  54           HG       SER  54 -11.681   4.742  -1.887
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -9.845  10.789   2.569
    2   2H    MET   1          2H        MET   1  -9.774   9.707   3.877
    3   3H    MET   1          3H        MET   1  -8.360  10.103   3.020
    4    HA   MET   1           HA       MET   1  -8.892   8.037   2.224
    5   1HB   MET   1          1HB       MET   1 -11.258   7.447   1.529
    6   2HB   MET   1          2HB       MET   1 -11.167   7.876   3.224
    7   1HG   MET   1          1HG       MET   1 -11.909  10.179   2.664
    8   2HG   MET   1          2HG       MET   1 -11.996   9.754   0.979
    9   1HE   MET   1          1HE       MET   1 -13.780   8.906  -0.207
   10   2HE   MET   1          2HE       MET   1 -13.710   7.262   0.470
   11   3HE   MET   1          3HE       MET   1 -15.229   8.148   0.408
   12    H    LYS   2           H        LYS   2  -8.628  10.906   1.184
   13    HA   LYS   2           HA       LYS   2  -9.475  10.745  -1.607
   14   1HB   LYS   2          1HB       LYS   2  -7.646  12.726  -0.193
   15   2HB   LYS   2          2HB       LYS   2  -8.278  12.923  -1.819
   16   1HG   LYS   2          1HG       LYS   2 -10.604  12.859  -0.923
   17   2HG   LYS   2          2HG       LYS   2  -9.977  12.676   0.707
   18   1HD   LYS   2          1HD       LYS   2  -8.791  14.862   0.494
   19   2HD   LYS   2          2HD       LYS   2  -9.447  15.056  -1.122
   20   1HE   LYS   2          1HE       LYS   2 -11.112  14.810   1.423
   21   2HE   LYS   2          2HE       LYS   2 -10.803  16.304   0.551
   22   1HZ   LYS   2          1HZ       LYS   2 -11.810  15.130  -1.428
   23   2HZ   LYS   2          2HZ       LYS   2 -12.375  13.969  -0.324
   24   3HZ   LYS   2          3HZ       LYS   2 -12.867  15.588  -0.179
   25    H    ALA   3           H        ALA   3  -8.270  10.329  -3.368
   26    HA   ALA   3           HA       ALA   3  -6.142   8.587  -3.237
   27   1HB   ALA   3          1HB       ALA   3  -7.058  10.344  -5.538
   28   2HB   ALA   3          2HB       ALA   3  -5.981   8.965  -5.711
   29   3HB   ALA   3          3HB       ALA   3  -7.632   8.727  -5.164
   30    H    CYS   4           H        CYS   4  -4.396   9.277  -2.117
   31    HA   CYS   4           HA       CYS   4  -3.116  11.813  -2.258
   32   1HB   CYS   4          1HB       CYS   4  -2.484   9.109  -1.198
   33   2HB   CYS   4          2HB       CYS   4  -1.146  10.194  -1.295
   34    H    THR   5           H        THR   5  -0.546  11.418  -2.471
   35    HA   THR   5           HA       THR   5   0.345  12.099  -4.907
   36    HB   THR   5           HB       THR   5   1.846  12.066  -2.960
   37    HG1  THR   5           HG1      THR   5   3.645  11.072  -4.009
   38   1HG2  THR   5          1HG2      THR   5   1.971   9.044  -3.258
   39   2HG2  THR   5          2HG2      THR   5   2.898  10.024  -2.143
   40   3HG2  THR   5          3HG2      THR   5   1.163   9.879  -1.949
   41    H    LEU   6           H        LEU   6  -0.541   8.922  -4.166
   42    HA   LEU   6           HA       LEU   6  -0.500   6.924  -5.275
   43   1HB   LEU   6          1HB       LEU   6  -0.826   6.945  -7.737
   44   2HB   LEU   6          2HB       LEU   6  -1.945   7.933  -6.851
   45    HG   LEU   6           HG       LEU   6  -0.657   9.885  -7.445
   46   1HD1  LEU   6          1HD1      LEU   6   1.558   8.791  -8.166
   47   2HD1  LEU   6          2HD1      LEU   6   0.702   7.978  -9.454
   48   3HD1  LEU   6          3HD1      LEU   6   0.889   9.721  -9.484
   49   1HD2  LEU   6          1HD2      LEU   6  -1.836   8.253  -9.716
   50   2HD2  LEU   6          2HD2      LEU   6  -2.704   9.325  -8.628
   51   3HD2  LEU   6          3HD2      LEU   6  -1.570   9.988  -9.790
   52    H    ASN   7           H        ASN   7   2.203   8.766  -4.963
   53    HA   ASN   7           HA       ASN   7   3.891   7.550  -6.867
   54   1HB   ASN   7          1HB       ASN   7   4.404   9.111  -4.307
   55   2HB   ASN   7          2HB       ASN   7   5.727   8.485  -5.272
   56   1HD2  ASN   7          2HD2      ASN   7   3.218   9.334  -7.410
   57   2HD2  ASN   7          1HD2      ASN   7   3.770  10.890  -7.801
   58    H    CYS   8           H        CYS   8   5.797   6.253  -6.084
   59    HA   CYS   8           HA       CYS   8   4.865   3.846  -4.793
   60   1HB   CYS   8          1HB       CYS   8   7.771   4.076  -4.888
   61   2HB   CYS   8          2HB       CYS   8   6.714   2.907  -5.607
   62    H    ASP   9           H        ASP   9   4.823   3.311  -2.726
   63    HA   ASP   9           HA       ASP   9   6.210   5.055  -0.752
   64   1HB   ASP   9          1HB       ASP   9   3.769   4.655  -0.457
   65   2HB   ASP   9          2HB       ASP   9   4.060   2.940  -0.420
   66    HA   PRO  10           HA       PRO  10   9.428   2.068  -0.739
   67   1HB   PRO  10          1HB       PRO  10  10.215   2.364   2.008
   68   2HB   PRO  10          2HB       PRO  10  10.919   3.141   0.598
   69   1HG   PRO  10          1HG       PRO  10   9.104   4.267   2.610
   70   2HG   PRO  10          2HG       PRO  10  10.093   5.106   1.424
   71   1HD   PRO  10          1HD       PRO  10   7.288   4.830   1.317
   72   2HD   PRO  10          2HD       PRO  10   8.319   5.312  -0.041
   73    H    ARG  11           H        ARG  11   7.098   1.961   1.763
   74    HA   ARG  11           HA       ARG  11   7.616  -0.781   2.628
   75   1HB   ARG  11          1HB       ARG  11   5.101   0.868   3.104
   76   2HB   ARG  11          2HB       ARG  11   5.657  -0.502   4.032
   77   1HG   ARG  11          1HG       ARG  11   7.562   0.699   4.908
   78   2HG   ARG  11          2HG       ARG  11   7.298   2.057   3.832
   79   1HD   ARG  11          1HD       ARG  11   5.348   1.201   6.018
   80   2HD   ARG  11          2HD       ARG  11   6.480   2.536   6.125
   81    HE   ARG  11           HE       ARG  11   5.272   3.710   4.386
   82   1HH1  ARG  11          1HH1      ARG  11   3.717   0.785   5.470
   83   2HH1  ARG  11          2HH1      ARG  11   2.183   1.263   4.832
   84   1HH2  ARG  11          1HH2      ARG  11   3.341   4.292   3.584
   85   2HH2  ARG  11          2HH2      ARG  11   1.964   3.255   3.752
   86    H    ILE  12           H        ILE  12   5.475   0.865   0.410
   87    HA   ILE  12           HA       ILE  12   3.926  -1.554  -0.200
   88    HB   ILE  12           HB       ILE  12   3.878   1.160  -1.540
   89   1HG1  ILE  12          1HG1      ILE  12   3.381   1.454   0.844
   90   2HG1  ILE  12          2HG1      ILE  12   1.934   1.708  -0.111
   91   1HG2  ILE  12          1HG2      ILE  12   1.821  -1.093  -1.553
   92   2HG2  ILE  12          2HG2      ILE  12   1.563   0.506  -2.230
   93   3HG2  ILE  12          3HG2      ILE  12   2.778  -0.551  -2.918
   94   1HD1  ILE  12          1HD1      ILE  12   2.664  -0.795   1.404
   95   2HD1  ILE  12          2HD1      ILE  12   1.479   0.411   1.895
   96   3HD1  ILE  12          3HD1      ILE  12   1.189  -0.573   0.466
   97    H    ALA  13           H        ALA  13   3.884  -2.631  -2.008
   98    HA   ALA  13           HA       ALA  13   6.090  -2.237  -4.004
   99   1HB   ALA  13          1HB       ALA  13   6.346  -4.254  -2.618
  100   2HB   ALA  13          2HB       ALA  13   4.768  -4.840  -3.128
  101   3HB   ALA  13          3HB       ALA  13   6.066  -4.702  -4.292
  102    H    TYR  14           H        TYR  14   2.954  -3.781  -3.525
  103    HA   TYR  14           HA       TYR  14   1.743  -2.408  -5.784
  104   1HB   TYR  14          1HB       TYR  14   1.272  -4.566  -7.072
  105   2HB   TYR  14          2HB       TYR  14   2.959  -4.119  -7.061
  106    HD1  TYR  14           HD1      TYR  14   4.564  -5.388  -5.660
  107    HD2  TYR  14           HD2      TYR  14   0.483  -6.525  -5.932
  108    HE1  TYR  14           HE1      TYR  14   5.120  -7.559  -4.731
  109    HE2  TYR  14           HE2      TYR  14   1.020  -8.707  -5.006
  110    HH   TYR  14           HH       TYR  14   3.157 -10.199  -4.901
  111    H    GLY  15           H        GLY  15  -0.461  -3.857  -6.224
  112   1HA   GLY  15          1HA       GLY  15  -1.469  -4.947  -3.724
  113   2HA   GLY  15          2HA       GLY  15  -2.138  -3.367  -4.093
  114    H    VAL  16           H        VAL  16  -3.605  -5.613  -3.674
  115    HA   VAL  16           HA       VAL  16  -4.778  -6.223  -6.377
  116    HB   VAL  16           HB       VAL  16  -4.566  -7.904  -3.846
  117   1HG1  VAL  16          1HG1      VAL  16  -6.261  -8.519  -6.290
  118   2HG1  VAL  16          2HG1      VAL  16  -5.962  -9.625  -4.962
  119   3HG1  VAL  16          3HG1      VAL  16  -6.900  -8.171  -4.693
  120   1HG2  VAL  16          1HG2      VAL  16  -2.678  -7.974  -5.468
  121   2HG2  VAL  16          2HG2      VAL  16  -3.510  -9.518  -5.427
  122   3HG2  VAL  16          3HG2      VAL  16  -3.789  -8.405  -6.755
  123    H    CYS  17           H        CYS  17  -6.527  -5.071  -6.690
  124    HA   CYS  17           HA       CYS  17  -8.349  -4.423  -4.418
  125   1HB   CYS  17          1HB       CYS  17  -7.983  -3.081  -7.094
  126   2HB   CYS  17          2HB       CYS  17  -9.154  -2.578  -5.918
  127    HA   PRO  18           HA       PRO  18 -11.741  -6.753  -6.077
  128   1HB   PRO  18          1HB       PRO  18 -13.579  -4.471  -5.982
  129   2HB   PRO  18          2HB       PRO  18 -13.588  -5.952  -5.039
  130   1HG   PRO  18          1HG       PRO  18 -12.816  -3.381  -4.134
  131   2HG   PRO  18          2HG       PRO  18 -12.616  -4.895  -3.268
  132   1HD   PRO  18          1HD       PRO  18 -10.560  -3.251  -4.507
  133   2HD   PRO  18          2HD       PRO  18 -10.349  -4.708  -3.523
  134    H    ARG  19           H        ARG  19 -12.708  -7.141  -8.000
  135    HA   ARG  19           HA       ARG  19 -12.969  -7.120 -10.296
  136   1HB   ARG  19          1HB       ARG  19 -13.763  -4.355  -9.346
  137   2HB   ARG  19          2HB       ARG  19 -13.560  -4.531 -11.071
  138   1HG   ARG  19          1HG       ARG  19 -15.879  -4.961 -10.499
  139   2HG   ARG  19          2HG       ARG  19 -15.150  -6.447 -11.072
  140   1HD   ARG  19          1HD       ARG  19 -14.857  -7.243  -8.741
  141   2HD   ARG  19          2HD       ARG  19 -15.493  -5.729  -8.113
  142    HE   ARG  19           HE       ARG  19 -17.027  -7.928  -9.278
  143   1HH1  ARG  19          1HH1      ARG  19 -16.962  -4.536  -8.551
  144   2HH1  ARG  19          2HH1      ARG  19 -18.687  -4.396  -8.530
  145   1HH2  ARG  19          1HH2      ARG  19 -19.208  -7.768  -9.260
  146   2HH2  ARG  19          2HH2      ARG  19 -19.979  -6.250  -8.940
  147    H    SER  20           H        SER  20 -10.397  -6.718  -9.186
  148    HA   SER  20           HA       SER  20  -8.803  -6.344 -11.538
  149   1HB   SER  20          1HB       SER  20  -7.528  -4.269 -10.670
  150   2HB   SER  20          2HB       SER  20  -9.202  -3.881 -11.075
  151    HG   SER  20           HG       SER  20  -9.536  -4.629  -8.745
  152    H    GLU  21           H        GLU  21  -8.849  -8.434 -10.341
  153    HA   GLU  21           HA       GLU  21  -7.415  -8.738  -7.913
  154   1HB   GLU  21          1HB       GLU  21  -8.436 -10.663 -10.018
  155   2HB   GLU  21          2HB       GLU  21  -7.561 -11.234  -8.612
  156   1HG   GLU  21          1HG       GLU  21 -10.046 -11.296  -8.278
  157   2HG   GLU  21          2HG       GLU  21  -9.238 -10.289  -7.098
  158    H    GLU  22           H        GLU  22  -6.498 -10.647 -10.714
  159    HA   GLU  22           HA       GLU  22  -4.478 -11.059 -11.751
  160   1HB   GLU  22          1HB       GLU  22  -4.599  -8.296 -11.567
  161   2HB   GLU  22          2HB       GLU  22  -3.101  -8.597 -10.727
  162   1HG   GLU  22          1HG       GLU  22  -3.740  -9.696 -13.502
  163   2HG   GLU  22          2HG       GLU  22  -2.867  -8.201 -13.224
  164    H    LYS  23           H        LYS  23  -2.759 -12.228 -11.282
  165    HA   LYS  23           HA       LYS  23  -2.233 -13.083  -8.633
  166   1HB   LYS  23          1HB       LYS  23  -1.872 -14.524 -10.602
  167   2HB   LYS  23          2HB       LYS  23  -0.688 -13.415 -11.242
  168   1HG   LYS  23          1HG       LYS  23   0.640 -15.134 -10.397
  169   2HG   LYS  23          2HG       LYS  23   0.732 -13.972  -9.110
  170   1HD   LYS  23          1HD       LYS  23  -1.094 -16.412  -9.161
  171   2HD   LYS  23          2HD       LYS  23   0.418 -16.303  -8.292
  172   1HE   LYS  23          1HE       LYS  23  -0.613 -14.369  -6.951
  173   2HE   LYS  23          2HE       LYS  23  -2.149 -14.802  -7.705
  174   1HZ   LYS  23          1HZ       LYS  23  -1.962 -17.006  -6.849
  175   2HZ   LYS  23          2HZ       LYS  23  -0.478 -16.631  -6.114
  176   3HZ   LYS  23          3HZ       LYS  23  -1.901 -15.863  -5.593
  177    H    LYS  24           H        LYS  24  -0.808 -10.642 -10.564
  178    HA   LYS  24           HA       LYS  24   0.624  -8.900 -10.118
  179   1HB   LYS  24          1HB       LYS  24   0.872  -9.883  -7.232
  180   2HB   LYS  24          2HB       LYS  24   1.206  -8.287  -7.822
  181   1HG   LYS  24          1HG       LYS  24  -1.513  -9.645  -7.622
  182   2HG   LYS  24          2HG       LYS  24  -0.923  -8.325  -6.652
  183   1HD   LYS  24          1HD       LYS  24  -1.353  -8.092  -9.659
  184   2HD   LYS  24          2HD       LYS  24  -2.542  -7.622  -8.472
  185   1HE   LYS  24          1HE       LYS  24  -1.356  -5.632  -9.154
  186   2HE   LYS  24          2HE       LYS  24  -0.855  -5.990  -7.514
  187   1HZ   LYS  24          1HZ       LYS  24   0.783  -7.199  -9.555
  188   2HZ   LYS  24          2HZ       LYS  24   0.809  -5.505  -9.540
  189   3HZ   LYS  24          3HZ       LYS  24   1.227  -6.370  -8.142
  190    H    ASN  25           H        ASN  25   2.443  -8.998 -11.012
  191    HA   ASN  25           HA       ASN  25   4.679 -10.477  -9.854
  192   1HB   ASN  25          1HB       ASN  25   3.224 -11.229 -12.362
  193   2HB   ASN  25          2HB       ASN  25   4.953 -11.077 -12.613
  194   1HD2  ASN  25          2HD2      ASN  25   2.510 -12.773 -10.662
  195   2HD2  ASN  25          1HD2      ASN  25   3.515 -14.075 -10.239
  196    H    ASP  26           H        ASP  26   4.206  -7.884  -9.669
  197    HA   ASP  26           HA       ASP  26   6.453  -6.618 -10.867
  198   1HB   ASP  26          1HB       ASP  26   5.241  -6.268 -12.906
  199   2HB   ASP  26          2HB       ASP  26   3.704  -6.110 -12.076
  200    H    ARG  27           H        ARG  27   7.014  -5.146  -9.556
  201    HA   ARG  27           HA       ARG  27   5.327  -4.336  -7.276
  202   1HB   ARG  27          1HB       ARG  27   7.573  -5.018  -6.688
  203   2HB   ARG  27          2HB       ARG  27   8.283  -4.067  -7.969
  204   1HG   ARG  27          1HG       ARG  27   6.757  -2.322  -6.167
  205   2HG   ARG  27          2HG       ARG  27   7.868  -3.289  -5.235
  206   1HD   ARG  27          1HD       ARG  27   8.653  -1.596  -7.656
  207   2HD   ARG  27          2HD       ARG  27   8.893  -1.146  -5.969
  208    HE   ARG  27           HE       ARG  27  10.035  -3.731  -6.455
  209   1HH1  ARG  27          1HH1      ARG  27  10.513  -0.359  -7.085
  210   2HH1  ARG  27          2HH1      ARG  27  12.233  -0.509  -7.204
  211   1HH2  ARG  27          1HH2      ARG  27  12.204  -3.948  -6.600
  212   2HH2  ARG  27          2HH2      ARG  27  13.208  -2.574  -6.926
  213    H    ILE  28           H        ILE  28   3.915  -3.068  -8.174
  214    HA   ILE  28           HA       ILE  28   4.229  -1.016 -10.082
  215    HB   ILE  28           HB       ILE  28   2.072  -0.931  -7.997
  216   1HG1  ILE  28          1HG1      ILE  28   1.745  -2.785 -10.411
  217   2HG1  ILE  28          2HG1      ILE  28   2.428  -3.501  -8.989
  218   1HG2  ILE  28          1HG2      ILE  28   2.076  -0.579 -11.000
  219   2HG2  ILE  28          2HG2      ILE  28   0.650  -0.436  -9.985
  220   3HG2  ILE  28          3HG2      ILE  28   1.941   0.714  -9.821
  221   1HD1  ILE  28          1HD1      ILE  28   0.420  -2.751  -7.685
  222   2HD1  ILE  28          2HD1      ILE  28  -0.293  -2.162  -9.172
  223   3HD1  ILE  28          3HD1      ILE  28   0.047  -3.868  -8.979
  224    H    CYS  29           H        CYS  29   3.335   1.286  -9.232
  225    HA   CYS  29           HA       CYS  29   5.046   2.185  -6.956
  226   1HB   CYS  29          1HB       CYS  29   5.944   2.888  -9.118
  227   2HB   CYS  29          2HB       CYS  29   4.406   3.573  -9.573
  228    H    THR  30           H        THR  30   3.555   2.323  -5.384
  229    HA   THR  30           HA       THR  30   1.621   4.492  -5.496
  230    HB   THR  30           HB       THR  30   0.294   2.723  -6.659
  231    HG1  THR  30           HG1      THR  30  -0.478   4.141  -4.809
  232   1HG2  THR  30          1HG2      THR  30   1.430   0.691  -5.596
  233   2HG2  THR  30          2HG2      THR  30   0.634   1.093  -4.082
  234   3HG2  THR  30          3HG2      THR  30  -0.320   0.637  -5.483
  235    H    ASN  31           H        ASN  31   0.342   4.627  -3.498
  236    HA   ASN  31           HA       ASN  31   1.792   3.639  -1.083
  237   1HB   ASN  31          1HB       ASN  31   1.273   5.916  -0.047
  238   2HB   ASN  31          2HB       ASN  31   2.417   6.016  -1.363
  239   1HD2  ASN  31          2HD2      ASN  31  -0.109   7.641  -0.189
  240   2HD2  ASN  31          1HD2      ASN  31  -0.665   8.297  -1.652
  241    H    CYS  32           H        CYS  32   0.447   4.025   0.913
  242    HA   CYS  32           HA       CYS  32  -1.931   2.495   0.789
  243   1HB   CYS  32          1HB       CYS  32  -0.446   2.815   2.782
  244   2HB   CYS  32          2HB       CYS  32  -1.098   4.415   2.987
  245    H    CYS  33           H        CYS  33  -1.734   5.934   1.685
  246    HA   CYS  33           HA       CYS  33  -4.476   6.496   1.706
  247   1HB   CYS  33          1HB       CYS  33  -3.041   8.052   2.668
  248   2HB   CYS  33          2HB       CYS  33  -2.081   8.212   1.219
  249    H    ALA  34           H        ALA  34  -2.404   6.239  -1.057
  250    HA   ALA  34           HA       ALA  34  -4.169   7.662  -2.888
  251   1HB   ALA  34          1HB       ALA  34  -1.910   5.720  -3.445
  252   2HB   ALA  34          2HB       ALA  34  -2.703   6.733  -4.646
  253   3HB   ALA  34          3HB       ALA  34  -1.791   7.474  -3.344
  254    H    GLY  35           H        GLY  35  -3.681   4.301  -2.044
  255   1HA   GLY  35          1HA       GLY  35  -5.242   3.133  -4.030
  256   2HA   GLY  35          2HA       GLY  35  -4.867   2.382  -2.501
  257    H    THR  36           H        THR  36  -7.119   1.563  -3.212
  258    HA   THR  36           HA       THR  36  -9.243   3.290  -2.073
  259    HB   THR  36           HB       THR  36  -9.931   0.862  -3.707
  260    HG1  THR  36           HG1      THR  36  -8.307   2.024  -4.877
  261   1HG2  THR  36          1HG2      THR  36 -11.031   3.725  -3.676
  262   2HG2  THR  36          2HG2      THR  36 -11.720   2.370  -4.556
  263   3HG2  THR  36          3HG2      THR  36 -11.767   2.386  -2.809
  264    H    LYS  37           H        LYS  37 -11.097   1.827  -1.267
  265    HA   LYS  37           HA       LYS  37 -10.025   0.173   0.923
  266   1HB   LYS  37          1HB       LYS  37 -11.744   1.536   1.738
  267   2HB   LYS  37          2HB       LYS  37 -12.614   1.529   0.229
  268   1HG   LYS  37          1HG       LYS  37 -13.976   0.384   1.846
  269   2HG   LYS  37          2HG       LYS  37 -13.419  -0.808   0.701
  270   1HD   LYS  37          1HD       LYS  37 -13.224  -1.729   2.958
  271   2HD   LYS  37          2HD       LYS  37 -11.603  -1.473   2.365
  272   1HE   LYS  37          1HE       LYS  37 -11.451   0.661   3.630
  273   2HE   LYS  37          2HE       LYS  37 -13.078   0.399   4.244
  274   1HZ   LYS  37          1HZ       LYS  37 -12.244  -1.755   5.127
  275   2HZ   LYS  37          2HZ       LYS  37 -10.676  -1.260   4.705
  276   3HZ   LYS  37          3HZ       LYS  37 -11.567  -0.374   5.849
  277    H    GLY  38           H        GLY  38 -10.409  -1.999   1.152
  278   1HA   GLY  38          1HA       GLY  38 -11.327  -4.136   0.588
  279   2HA   GLY  38          2HA       GLY  38 -11.815  -3.498  -0.983
  280    H    CYS  39           H        CYS  39  -9.130  -2.133  -1.127
  281    HA   CYS  39           HA       CYS  39  -7.752  -4.096  -2.654
  282   1HB   CYS  39          1HB       CYS  39  -6.795  -1.468  -1.514
  283   2HB   CYS  39          2HB       CYS  39  -5.970  -2.381  -2.736
  284    H    LYS  40           H        LYS  40  -5.382  -4.446  -2.328
  285    HA   LYS  40           HA       LYS  40  -4.614  -4.929   0.494
  286   1HB   LYS  40          1HB       LYS  40  -4.519  -7.097  -1.672
  287   2HB   LYS  40          2HB       LYS  40  -4.028  -7.268   0.002
  288   1HG   LYS  40          1HG       LYS  40  -6.434  -6.734   0.672
  289   2HG   LYS  40          2HG       LYS  40  -6.857  -6.713  -1.027
  290   1HD   LYS  40          1HD       LYS  40  -7.491  -8.858  -0.367
  291   2HD   LYS  40          2HD       LYS  40  -5.941  -9.126  -1.132
  292   1HE   LYS  40          1HE       LYS  40  -6.293  -8.762   1.867
  293   2HE   LYS  40          2HE       LYS  40  -6.246 -10.332   1.078
  294   1HZ   LYS  40          1HZ       LYS  40  -4.038  -9.350   0.123
  295   2HZ   LYS  40          2HZ       LYS  40  -4.104  -8.416   1.541
  296   3HZ   LYS  40          3HZ       LYS  40  -4.092 -10.111   1.639
  297    H    TYR  41           H        TYR  41  -3.222  -3.185   0.077
  298    HA   TYR  41           HA       TYR  41  -1.214  -3.346  -2.019
  299   1HB   TYR  41          1HB       TYR  41  -1.953  -1.361   0.159
  300   2HB   TYR  41          2HB       TYR  41  -0.458  -1.196  -0.728
  301    HD1  TYR  41           HD1      TYR  41  -3.519  -2.486  -2.443
  302    HD2  TYR  41           HD2      TYR  41  -1.098   0.939  -1.654
  303    HE1  TYR  41           HE1      TYR  41  -4.641  -1.277  -4.224
  304    HE2  TYR  41           HE2      TYR  41  -2.245   2.140  -3.447
  305    HH   TYR  41           HH       TYR  41  -5.096   1.221  -4.756
  306    H    PHE  42           H        PHE  42   0.291  -4.855  -1.660
  307    HA   PHE  42           HA       PHE  42   1.514  -5.070   1.039
  308   1HB   PHE  42          1HB       PHE  42   2.309  -7.333  -0.448
  309   2HB   PHE  42          2HB       PHE  42   1.161  -7.236   0.850
  310    HD1  PHE  42           HD1      PHE  42   1.145  -6.477  -2.846
  311    HD2  PHE  42           HD2      PHE  42  -0.815  -8.175   0.528
  312    HE1  PHE  42           HE1      PHE  42  -0.707  -7.261  -4.288
  313    HE2  PHE  42           HE2      PHE  42  -2.645  -8.955  -0.915
  314    HZ   PHE  42           HZ       PHE  42  -2.584  -8.496  -3.307
  315    H    SER  43           H        SER  43   3.611  -5.766   1.189
  316    HA   SER  43           HA       SER  43   5.488  -4.149  -0.211
  317   1HB   SER  43          1HB       SER  43   5.924  -6.555   1.626
  318   2HB   SER  43          2HB       SER  43   7.070  -5.292   1.244
  319    HG   SER  43           HG       SER  43   6.080  -3.918   2.467
  320    H    ASP  44           H        ASP  44   7.571  -5.330  -0.803
  321    HA   ASP  44           HA       ASP  44   7.055  -6.795  -3.259
  322   1HB   ASP  44          1HB       ASP  44   9.152  -5.198  -2.324
  323   2HB   ASP  44          2HB       ASP  44   9.874  -6.793  -2.275
  324    H    ASP  45           H        ASP  45   8.110  -7.545  -0.067
  325    HA   ASP  45           HA       ASP  45   8.980 -10.249  -0.489
  326   1HB   ASP  45          1HB       ASP  45   9.646  -8.953   1.500
  327   2HB   ASP  45          2HB       ASP  45   7.973  -8.793   2.000
  328    H    GLY  46           H        GLY  46   5.883  -8.829  -0.509
  329   1HA   GLY  46          1HA       GLY  46   3.859  -9.768  -0.956
  330   2HA   GLY  46          2HA       GLY  46   4.583 -11.391  -0.800
  331    H    THR  47           H        THR  47   3.786  -8.500   1.031
  332    HA   THR  47           HA       THR  47   2.590  -9.976   3.163
  333    HB   THR  47           HB       THR  47   5.041  -8.175   3.546
  334    HG1  THR  47           HG1      THR  47   4.473 -10.929   3.822
  335   1HG2  THR  47          1HG2      THR  47   3.434  -9.755   5.658
  336   2HG2  THR  47          2HG2      THR  47   4.858  -8.779   5.985
  337   3HG2  THR  47          3HG2      THR  47   3.357  -8.006   5.507
  338    H    PHE  48           H        PHE  48   0.774  -9.006   3.372
  339    HA   PHE  48           HA       PHE  48  -0.124  -6.619   2.291
  340   1HB   PHE  48          1HB       PHE  48  -1.653  -8.317   3.101
  341   2HB   PHE  48          2HB       PHE  48  -1.105  -8.108   4.753
  342    HD1  PHE  48           HD1      PHE  48  -1.593  -5.964   5.956
  343    HD2  PHE  48           HD2      PHE  48  -3.330  -6.798   2.154
  344    HE1  PHE  48           HE1      PHE  48  -3.242  -4.203   6.337
  345    HE2  PHE  48           HE2      PHE  48  -4.993  -5.035   2.552
  346    HZ   PHE  48           HZ       PHE  48  -4.936  -3.723   4.641
  347    H    VAL  49           H        VAL  49   0.407  -4.627   2.575
  348    HA   VAL  49           HA       VAL  49   1.396  -3.662   5.228
  349    HB   VAL  49           HB       VAL  49   1.488  -2.307   2.522
  350   1HG1  VAL  49          1HG1      VAL  49   2.910  -1.637   5.145
  351   2HG1  VAL  49          2HG1      VAL  49   3.170  -0.808   3.621
  352   3HG1  VAL  49          3HG1      VAL  49   1.615  -0.698   4.419
  353   1HG2  VAL  49          1HG2      VAL  49   3.669  -3.799   4.019
  354   2HG2  VAL  49          2HG2      VAL  49   2.886  -4.329   2.539
  355   3HG2  VAL  49          3HG2      VAL  49   3.881  -2.889   2.529
  356    H    CYS  50           H        CYS  50  -0.980  -2.923   2.687
  357    HA   CYS  50           HA       CYS  50  -2.739  -1.608   4.631
  358   1HB   CYS  50          1HB       CYS  50  -1.043  -0.240   2.763
  359   2HB   CYS  50          2HB       CYS  50  -2.700   0.221   2.546
  360    H    GLU  51           H        GLU  51  -4.672  -0.736   3.371
  361    HA   GLU  51           HA       GLU  51  -5.399  -2.517   1.093
  362   1HB   GLU  51          1HB       GLU  51  -6.596  -3.547   2.946
  363   2HB   GLU  51          2HB       GLU  51  -6.836  -2.021   3.763
  364   1HG   GLU  51          1HG       GLU  51  -8.709  -1.445   2.462
  365   2HG   GLU  51          2HG       GLU  51  -8.261  -2.463   1.115
  366    H    GLY  52           H        GLY  52  -4.357  -0.352   0.453
  367   1HA   GLY  52          1HA       GLY  52  -4.536   1.797  -0.456
  368   2HA   GLY  52          2HA       GLY  52  -6.148   1.286  -0.915
  369    H    GLU  53           H        GLU  53  -7.444   2.989  -0.349
  370    HA   GLU  53           HA       GLU  53  -7.910   3.592   2.422
  371   1HB   GLU  53          1HB       GLU  53  -5.675   4.863   1.692
  372   2HB   GLU  53          2HB       GLU  53  -6.776   5.993   0.948
  373   1HG   GLU  53          1HG       GLU  53  -6.262   6.794   3.197
  374   2HG   GLU  53          2HG       GLU  53  -7.929   6.250   3.209
  375    H    SER  54           H        SER  54  -9.401   3.010  -0.038
  376    HA   SER  54           HA       SER  54 -11.388   3.620  -1.094
  377   1HB   SER  54          1HB       SER  54 -12.046   3.631   1.408
  378   2HB   SER  54          2HB       SER  54 -11.848   5.383   1.381
  379    HG   SER  54           HG       SER  54 -13.375   5.524  -0.214
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1 -11.950   9.348  -0.169
    2   2H    MET   1          2H        MET   1 -11.058  10.743   0.194
    3   3H    MET   1          3H        MET   1 -12.736  10.723   0.444
    4    HA   MET   1           HA       MET   1 -13.248  10.944  -1.727
    5   1HB   MET   1          1HB       MET   1 -11.669  12.638  -2.732
    6   2HB   MET   1          2HB       MET   1 -12.083  12.988  -1.073
    7   1HG   MET   1          1HG       MET   1  -9.708  13.350  -1.511
    8   2HG   MET   1          2HG       MET   1  -9.949  12.154  -0.280
    9   1HE   MET   1          1HE       MET   1  -9.531   9.752  -0.448
   10   2HE   MET   1          2HE       MET   1  -8.183   9.141  -1.367
   11   3HE   MET   1          3HE       MET   1  -7.913  10.429  -0.193
   12    H    LYS   2           H        LYS   2 -12.164  11.126  -4.075
   13    HA   LYS   2           HA       LYS   2 -11.454   8.431  -4.796
   14   1HB   LYS   2          1HB       LYS   2 -12.943  10.119  -6.035
   15   2HB   LYS   2          2HB       LYS   2 -11.482  10.929  -6.538
   16   1HG   LYS   2          1HG       LYS   2 -12.221   8.042  -7.135
   17   2HG   LYS   2          2HG       LYS   2 -12.331   9.378  -8.260
   18   1HD   LYS   2          1HD       LYS   2  -9.816   9.692  -8.046
   19   2HD   LYS   2          2HD       LYS   2  -9.774   8.221  -7.075
   20   1HE   LYS   2          1HE       LYS   2 -10.805   6.948  -8.865
   21   2HE   LYS   2          2HE       LYS   2 -10.854   8.396  -9.876
   22   1HZ   LYS   2          1HZ       LYS   2  -8.307   7.513  -8.705
   23   2HZ   LYS   2          2HZ       LYS   2  -8.899   6.747 -10.100
   24   3HZ   LYS   2          3HZ       LYS   2  -8.586   8.415 -10.115
   25    H    ALA   3           H        ALA   3  -9.539   7.896  -4.056
   26    HA   ALA   3           HA       ALA   3  -7.267   7.645  -3.819
   27   1HB   ALA   3          1HB       ALA   3  -7.428   7.291  -6.220
   28   2HB   ALA   3          2HB       ALA   3  -7.282   9.014  -6.531
   29   3HB   ALA   3          3HB       ALA   3  -5.927   8.124  -5.857
   30    H    CYS   4           H        CYS   4  -6.046   8.545  -2.433
   31    HA   CYS   4           HA       CYS   4  -5.924  11.285  -1.758
   32   1HB   CYS   4          1HB       CYS   4  -4.485   8.807  -1.051
   33   2HB   CYS   4          2HB       CYS   4  -3.584  10.241  -0.717
   34    H    THR   5           H        THR   5  -3.541  12.178  -1.386
   35    HA   THR   5           HA       THR   5  -2.716  13.574  -3.549
   36    HB   THR   5           HB       THR   5  -1.023  12.657  -1.155
   37    HG1  THR   5           HG1      THR   5  -3.051  13.531  -0.641
   38   1HG2  THR   5          1HG2      THR   5  -1.034  15.250  -2.789
   39   2HG2  THR   5          2HG2      THR   5   0.018  14.884  -1.426
   40   3HG2  THR   5          3HG2      THR   5   0.219  14.023  -2.942
   41    H    LEU   6           H        LEU   6  -0.997  13.615  -4.691
   42    HA   LEU   6           HA       LEU   6  -0.391  11.365  -6.312
   43   1HB   LEU   6          1HB       LEU   6   1.389  12.926  -7.325
   44   2HB   LEU   6          2HB       LEU   6  -0.284  13.422  -7.384
   45    HG   LEU   6           HG       LEU   6   0.064  14.797  -5.355
   46   1HD1  LEU   6          1HD1      LEU   6   3.025  14.152  -5.740
   47   2HD1  LEU   6          2HD1      LEU   6   2.402  15.393  -4.665
   48   3HD1  LEU   6          3HD1      LEU   6   2.055  13.715  -4.343
   49   1HD2  LEU   6          1HD2      LEU   6   1.891  15.437  -7.713
   50   2HD2  LEU   6          2HD2      LEU   6   0.183  15.827  -7.592
   51   3HD2  LEU   6          3HD2      LEU   6   1.337  16.613  -6.532
   52    H    ASN   7           H        ASN   7   0.786  11.781  -3.280
   53    HA   ASN   7           HA       ASN   7   3.504  11.310  -3.458
   54   1HB   ASN   7          1HB       ASN   7   1.551  10.502  -1.253
   55   2HB   ASN   7          2HB       ASN   7   3.291  10.611  -1.060
   56   1HD2  ASN   7          2HD2      ASN   7   0.954  12.203   0.130
   57   2HD2  ASN   7          1HD2      ASN   7   1.387  13.823  -0.134
   58    H    CYS   8           H        CYS   8   4.268   9.145  -2.162
   59    HA   CYS   8           HA       CYS   8   3.048   6.706  -3.416
   60   1HB   CYS   8          1HB       CYS   8   5.836   7.799  -3.726
   61   2HB   CYS   8          2HB       CYS   8   5.586   6.092  -3.750
   62    H    ASP   9           H        ASP   9   3.963   4.788  -2.308
   63    HA   ASP   9           HA       ASP   9   4.846   5.358   0.497
   64   1HB   ASP   9          1HB       ASP   9   2.471   4.818   0.200
   65   2HB   ASP   9          2HB       ASP   9   2.901   3.212  -0.346
   66    HA   PRO  10           HA       PRO  10   8.081   2.682  -1.293
   67   1HB   PRO  10          1HB       PRO  10   9.661   3.160   1.107
   68   2HB   PRO  10          2HB       PRO  10   9.963   3.697  -0.537
   69   1HG   PRO  10          1HG       PRO  10   9.080   5.288   1.655
   70   2HG   PRO  10          2HG       PRO  10   9.256   5.796  -0.018
   71   1HD   PRO  10          1HD       PRO  10   6.797   5.300   1.468
   72   2HD   PRO  10          2HD       PRO  10   6.975   5.962  -0.167
   73    H    ARG  11           H        ARG  11   6.408   2.423   1.668
   74    HA   ARG  11           HA       ARG  11   7.552  -0.124   2.534
   75   1HB   ARG  11          1HB       ARG  11   4.754   0.791   3.290
   76   2HB   ARG  11          2HB       ARG  11   5.876  -0.157   4.217
   77   1HG   ARG  11          1HG       ARG  11   7.323   1.741   4.647
   78   2HG   ARG  11          2HG       ARG  11   6.394   2.772   3.576
   79   1HD   ARG  11          1HD       ARG  11   5.331   1.526   6.150
   80   2HD   ARG  11          2HD       ARG  11   5.769   3.206   5.913
   81    HE   ARG  11           HE       ARG  11   3.907   3.487   4.395
   82   1HH1  ARG  11          1HH1      ARG  11   3.997   0.380   5.968
   83   2HH1  ARG  11          2HH1      ARG  11   2.333   0.060   5.629
   84   1HH2  ARG  11          1HH2      ARG  11   1.809   3.067   3.967
   85   2HH2  ARG  11          2HH2      ARG  11   1.086   1.580   4.486
   86    H    ILE  12           H        ILE  12   4.880   1.011   0.608
   87    HA   ILE  12           HA       ILE  12   3.713  -1.632   0.151
   88    HB   ILE  12           HB       ILE  12   3.105   1.134  -0.875
   89   1HG1  ILE  12          1HG1      ILE  12   1.577  -0.882   0.838
   90   2HG1  ILE  12          2HG1      ILE  12   2.518   0.437   1.498
   91   1HG2  ILE  12          1HG2      ILE  12   1.726  -1.489  -1.636
   92   2HG2  ILE  12          2HG2      ILE  12   1.128   0.114  -2.048
   93   3HG2  ILE  12          3HG2      ILE  12   2.623  -0.462  -2.737
   94   1HD1  ILE  12          1HD1      ILE  12   1.080   2.044   0.290
   95   2HD1  ILE  12          2HD1      ILE  12   0.111   0.701  -0.315
   96   3HD1  ILE  12          3HD1      ILE  12   0.174   1.031   1.410
   97    H    ALA  13           H        ALA  13   3.817  -2.777  -1.663
   98    HA   ALA  13           HA       ALA  13   5.977  -2.154  -3.626
   99   1HB   ALA  13          1HB       ALA  13   6.160  -4.309  -2.399
  100   2HB   ALA  13          2HB       ALA  13   4.602  -4.822  -3.016
  101   3HB   ALA  13          3HB       ALA  13   5.931  -4.602  -4.115
  102    H    TYR  14           H        TYR  14   2.959  -3.896  -3.462
  103    HA   TYR  14           HA       TYR  14   1.696  -2.359  -5.593
  104   1HB   TYR  14          1HB       TYR  14   1.344  -4.590  -6.961
  105   2HB   TYR  14          2HB       TYR  14   2.952  -3.887  -7.009
  106    HD1  TYR  14           HD1      TYR  14   0.956  -6.460  -5.164
  107    HD2  TYR  14           HD2      TYR  14   4.821  -5.095  -6.306
  108    HE1  TYR  14           HE1      TYR  14   1.957  -8.483  -4.232
  109    HE2  TYR  14           HE2      TYR  14   5.815  -7.111  -5.384
  110    HH   TYR  14           HH       TYR  14   5.058  -8.822  -3.458
  111    H    GLY  15           H        GLY  15  -0.443  -3.747  -6.158
  112   1HA   GLY  15          1HA       GLY  15  -1.514  -5.067  -3.770
  113   2HA   GLY  15          2HA       GLY  15  -2.235  -3.501  -4.124
  114    H    VAL  16           H        VAL  16  -3.496  -5.980  -4.031
  115    HA   VAL  16           HA       VAL  16  -4.557  -6.173  -6.840
  116    HB   VAL  16           HB       VAL  16  -3.989  -8.449  -4.863
  117   1HG1  VAL  16          1HG1      VAL  16  -5.596  -8.616  -7.439
  118   2HG1  VAL  16          2HG1      VAL  16  -5.097  -9.983  -6.458
  119   3HG1  VAL  16          3HG1      VAL  16  -6.242  -8.820  -5.820
  120   1HG2  VAL  16          1HG2      VAL  16  -2.084  -7.801  -6.326
  121   2HG2  VAL  16          2HG2      VAL  16  -2.687  -9.395  -6.751
  122   3HG2  VAL  16          3HG2      VAL  16  -3.104  -8.012  -7.739
  123    H    CYS  17           H        CYS  17  -6.697  -5.904  -6.927
  124    HA   CYS  17           HA       CYS  17  -8.142  -5.594  -4.350
  125   1HB   CYS  17          1HB       CYS  17  -7.922  -3.852  -6.410
  126   2HB   CYS  17          2HB       CYS  17  -9.361  -4.684  -6.919
  127    HA   PRO  18           HA       PRO  18 -10.255  -9.348  -4.877
  128   1HB   PRO  18          1HB       PRO  18 -12.812  -8.481  -3.872
  129   2HB   PRO  18          2HB       PRO  18 -11.551  -9.363  -3.026
  130   1HG   PRO  18          1HG       PRO  18 -12.288  -6.566  -2.770
  131   2HG   PRO  18          2HG       PRO  18 -11.142  -7.482  -1.804
  132   1HD   PRO  18          1HD       PRO  18 -10.526  -5.479  -3.747
  133   2HD   PRO  18          2HD       PRO  18  -9.376  -6.528  -2.899
  134    H    ARG  19           H        ARG  19 -11.208 -10.365  -6.442
  135    HA   ARG  19           HA       ARG  19 -12.191 -10.789  -8.483
  136   1HB   ARG  19          1HB       ARG  19 -14.222  -9.299  -6.810
  137   2HB   ARG  19          2HB       ARG  19 -14.635  -9.500  -8.493
  138   1HG   ARG  19          1HG       ARG  19 -15.529 -11.365  -7.178
  139   2HG   ARG  19          2HG       ARG  19 -14.348 -11.936  -8.337
  140   1HD   ARG  19          1HD       ARG  19 -14.044 -12.981  -6.054
  141   2HD   ARG  19          2HD       ARG  19 -12.620 -12.098  -6.567
  142    HE   ARG  19           HE       ARG  19 -12.986 -10.556  -4.838
  143   1HH1  ARG  19          1HH1      ARG  19 -15.824 -12.479  -5.366
  144   2HH1  ARG  19          2HH1      ARG  19 -16.631 -11.871  -3.960
  145   1HH2  ARG  19          1HH2      ARG  19 -13.993  -9.777  -3.057
  146   2HH2  ARG  19          2HH2      ARG  19 -15.584 -10.319  -2.638
  147    H    SER  20           H        SER  20 -10.390  -8.607  -8.433
  148    HA   SER  20           HA       SER  20 -11.275  -7.194 -10.913
  149   1HB   SER  20          1HB       SER  20  -9.926  -5.882  -8.493
  150   2HB   SER  20          2HB       SER  20 -10.314  -5.051 -10.008
  151    HG   SER  20           HG       SER  20 -12.157  -6.426  -8.347
  152    H    GLU  21           H        GLU  21  -9.963  -9.315 -11.087
  153    HA   GLU  21           HA       GLU  21  -8.010 -10.469 -11.594
  154   1HB   GLU  21          1HB       GLU  21  -7.863  -7.937 -13.306
  155   2HB   GLU  21          2HB       GLU  21  -6.987  -9.413 -13.650
  156   1HG   GLU  21          1HG       GLU  21  -9.007  -9.379 -15.022
  157   2HG   GLU  21          2HG       GLU  21  -9.177 -10.645 -13.825
  158    H    GLU  22           H        GLU  22  -6.127  -7.857 -12.501
  159    HA   GLU  22           HA       GLU  22  -4.077  -7.071 -11.874
  160   1HB   GLU  22          1HB       GLU  22  -5.842  -6.315  -9.915
  161   2HB   GLU  22          2HB       GLU  22  -4.660  -7.141  -8.931
  162   1HG   GLU  22          1HG       GLU  22  -4.127  -4.853 -10.889
  163   2HG   GLU  22          2HG       GLU  22  -4.040  -4.764  -9.140
  164    H    LYS  23           H        LYS  23  -2.295  -8.137 -12.025
  165    HA   LYS  23           HA       LYS  23  -1.808 -10.514 -10.377
  166   1HB   LYS  23          1HB       LYS  23  -1.550 -10.799 -12.824
  167   2HB   LYS  23          2HB       LYS  23  -0.438  -9.453 -12.879
  168   1HG   LYS  23          1HG       LYS  23   0.826 -11.570 -12.941
  169   2HG   LYS  23          2HG       LYS  23   1.194 -10.687 -11.480
  170   1HD   LYS  23          1HD       LYS  23   0.913 -13.060 -10.963
  171   2HD   LYS  23          2HD       LYS  23  -0.349 -12.141 -10.176
  172   1HE   LYS  23          1HE       LYS  23  -1.942 -12.769 -11.995
  173   2HE   LYS  23          2HE       LYS  23  -0.659 -13.656 -12.810
  174   1HZ   LYS  23          1HZ       LYS  23  -1.676 -14.216 -10.086
  175   2HZ   LYS  23          2HZ       LYS  23  -2.077 -15.085 -11.489
  176   3HZ   LYS  23          3HZ       LYS  23  -0.480 -15.098 -10.909
  177    H    LYS  24           H        LYS  24  -0.288 -10.511  -8.857
  178    HA   LYS  24           HA       LYS  24   1.036  -7.985  -8.126
  179   1HB   LYS  24          1HB       LYS  24   2.001  -9.866  -6.307
  180   2HB   LYS  24          2HB       LYS  24   0.539  -8.929  -6.106
  181   1HG   LYS  24          1HG       LYS  24  -0.850 -10.743  -6.958
  182   2HG   LYS  24          2HG       LYS  24   0.566 -11.671  -7.410
  183   1HD   LYS  24          1HD       LYS  24  -0.359 -12.538  -5.307
  184   2HD   LYS  24          2HD       LYS  24   1.230 -11.861  -5.025
  185   1HE   LYS  24          1HE       LYS  24  -0.367 -11.193  -3.243
  186   2HE   LYS  24          2HE       LYS  24   0.192  -9.782  -4.118
  187   1HZ   LYS  24          1HZ       LYS  24  -2.136 -10.932  -5.303
  188   2HZ   LYS  24          2HZ       LYS  24  -2.390 -10.498  -3.680
  189   3HZ   LYS  24          3HZ       LYS  24  -1.847  -9.338  -4.792
  190    H    ASN  25           H        ASN  25   2.404  -7.801  -9.952
  191    HA   ASN  25           HA       ASN  25   4.973  -9.124  -9.625
  192   1HB   ASN  25          1HB       ASN  25   3.049  -9.882 -11.777
  193   2HB   ASN  25          2HB       ASN  25   4.627  -9.479 -12.409
  194   1HD2  ASN  25          2HD2      ASN  25   2.835 -11.838 -10.594
  195   2HD2  ASN  25          1HD2      ASN  25   4.115 -12.932 -10.372
  196    H    ASP  26           H        ASP  26   3.570  -6.456  -9.753
  197    HA   ASP  26           HA       ASP  26   5.735  -5.020 -11.190
  198   1HB   ASP  26          1HB       ASP  26   4.107  -4.927 -12.931
  199   2HB   ASP  26          2HB       ASP  26   2.764  -4.893 -11.808
  200    H    ARG  27           H        ARG  27   6.586  -4.121  -9.455
  201    HA   ARG  27           HA       ARG  27   5.045  -3.199  -7.185
  202   1HB   ARG  27          1HB       ARG  27   7.153  -4.174  -6.706
  203   2HB   ARG  27          2HB       ARG  27   7.982  -3.236  -7.927
  204   1HG   ARG  27          1HG       ARG  27   8.004  -1.266  -6.597
  205   2HG   ARG  27          2HG       ARG  27   6.698  -1.813  -5.573
  206   1HD   ARG  27          1HD       ARG  27   8.981  -1.889  -4.484
  207   2HD   ARG  27          2HD       ARG  27   8.189  -3.457  -4.510
  208    HE   ARG  27           HE       ARG  27   9.818  -3.100  -6.864
  209   1HH1  ARG  27          1HH1      ARG  27   9.960  -3.745  -3.463
  210   2HH1  ARG  27          2HH1      ARG  27  11.451  -4.617  -3.574
  211   1HH2  ARG  27          1HH2      ARG  27  11.708  -4.202  -7.028
  212   2HH2  ARG  27          2HH2      ARG  27  12.456  -4.881  -5.621
  213    H    ILE  28           H        ILE  28   3.718  -1.728  -8.081
  214    HA   ILE  28           HA       ILE  28   4.478   0.621  -9.476
  215    HB   ILE  28           HB       ILE  28   1.986   0.671  -7.826
  216   1HG1  ILE  28          1HG1      ILE  28   0.962  -0.744  -9.955
  217   2HG1  ILE  28          2HG1      ILE  28   2.553  -1.466  -9.888
  218   1HG2  ILE  28          1HG2      ILE  28   2.563   1.218 -10.731
  219   2HG2  ILE  28          2HG2      ILE  28   1.017   1.486  -9.931
  220   3HG2  ILE  28          3HG2      ILE  28   2.416   2.429  -9.461
  221   1HD1  ILE  28          1HD1      ILE  28   2.178  -2.052  -7.516
  222   2HD1  ILE  28          2HD1      ILE  28   0.583  -1.344  -7.580
  223   3HD1  ILE  28          3HD1      ILE  28   0.952  -2.764  -8.544
  224    H    CYS  29           H        CYS  29   3.745   2.766  -8.470
  225    HA   CYS  29           HA       CYS  29   4.914   3.177  -5.741
  226   1HB   CYS  29          1HB       CYS  29   6.242   3.915  -7.758
  227   2HB   CYS  29          2HB       CYS  29   4.933   4.955  -8.206
  228    H    THR  30           H        THR  30   3.164   3.521  -4.472
  229    HA   THR  30           HA       THR  30   1.242   5.619  -5.085
  230    HB   THR  30           HB       THR  30   0.236   3.765  -6.430
  231    HG1  THR  30           HG1      THR  30  -1.729   3.648  -5.232
  232   1HG2  THR  30          1HG2      THR  30   0.142   2.200  -3.786
  233   2HG2  THR  30          2HG2      THR  30  -0.501   1.670  -5.332
  234   3HG2  THR  30          3HG2      THR  30   1.232   1.814  -5.108
  235    H    ASN  31           H        ASN  31  -0.482   5.708  -3.342
  236    HA   ASN  31           HA       ASN  31   0.808   5.280  -0.703
  237   1HB   ASN  31          1HB       ASN  31  -1.576   7.025  -1.406
  238   2HB   ASN  31          2HB       ASN  31  -0.721   7.029   0.118
  239   1HD2  ASN  31          2HD2      ASN  31  -1.036   8.885  -2.423
  240   2HD2  ASN  31          1HD2      ASN  31   0.529   9.531  -2.505
  241    H    CYS  32           H        CYS  32  -0.653   4.930   1.120
  242    HA   CYS  32           HA       CYS  32  -2.032   2.428   0.887
  243   1HB   CYS  32          1HB       CYS  32  -0.985   3.309   2.993
  244   2HB   CYS  32          2HB       CYS  32  -2.218   4.534   3.083
  245    H    CYS  33           H        CYS  33  -3.116   5.728   1.421
  246    HA   CYS  33           HA       CYS  33  -5.919   5.146   1.137
  247   1HB   CYS  33          1HB       CYS  33  -5.350   6.923   2.532
  248   2HB   CYS  33          2HB       CYS  33  -4.247   7.608   1.374
  249    H    ALA  34           H        ALA  34  -3.432   6.135  -1.096
  250    HA   ALA  34           HA       ALA  34  -5.031   7.228  -3.177
  251   1HB   ALA  34          1HB       ALA  34  -2.497   5.558  -3.402
  252   2HB   ALA  34          2HB       ALA  34  -3.161   6.557  -4.689
  253   3HB   ALA  34          3HB       ALA  34  -2.556   7.307  -3.225
  254    H    GLY  35           H        GLY  35  -4.273   3.970  -2.280
  255   1HA   GLY  35          1HA       GLY  35  -5.213   2.508  -4.432
  256   2HA   GLY  35          2HA       GLY  35  -5.202   1.918  -2.776
  257    H    THR  36           H        THR  36  -7.271   1.223  -4.615
  258    HA   THR  36           HA       THR  36  -9.563   2.931  -3.973
  259    HB   THR  36           HB       THR  36 -10.014   0.260  -5.265
  260    HG1  THR  36           HG1      THR  36  -8.555   2.486  -6.281
  261   1HG2  THR  36          1HG2      THR  36 -10.818   3.119  -6.030
  262   2HG2  THR  36          2HG2      THR  36 -11.431   1.647  -6.764
  263   3HG2  THR  36          3HG2      THR  36 -11.847   2.039  -5.108
  264    H    LYS  37           H        LYS  37 -11.606   1.690  -3.367
  265    HA   LYS  37           HA       LYS  37 -11.328   0.712  -0.692
  266   1HB   LYS  37          1HB       LYS  37 -13.363   1.754  -0.963
  267   2HB   LYS  37          2HB       LYS  37 -13.536   1.244  -2.625
  268   1HG   LYS  37          1HG       LYS  37 -14.254  -1.011  -1.903
  269   2HG   LYS  37          2HG       LYS  37 -14.010  -0.566  -0.219
  270   1HD   LYS  37          1HD       LYS  37 -15.735   1.228  -0.468
  271   2HD   LYS  37          2HD       LYS  37 -15.972   0.759  -2.144
  272   1HE   LYS  37          1HE       LYS  37 -16.683  -1.512  -1.415
  273   2HE   LYS  37          2HE       LYS  37 -16.435  -1.052   0.265
  274   1HZ   LYS  37          1HZ       LYS  37 -18.320   0.255  -1.607
  275   2HZ   LYS  37          2HZ       LYS  37 -18.741  -0.867  -0.402
  276   3HZ   LYS  37          3HZ       LYS  37 -18.102   0.646   0.032
  277    H    GLY  38           H        GLY  38 -11.460  -1.223   0.195
  278   1HA   GLY  38          1HA       GLY  38 -11.511  -3.535   0.454
  279   2HA   GLY  38          2HA       GLY  38 -12.174  -3.670  -1.164
  280    H    CYS  39           H        CYS  39  -9.611  -2.038  -1.983
  281    HA   CYS  39           HA       CYS  39  -8.119  -4.308  -2.854
  282   1HB   CYS  39          1HB       CYS  39  -7.247  -1.434  -2.688
  283   2HB   CYS  39          2HB       CYS  39  -6.558  -2.660  -3.708
  284    H    LYS  40           H        LYS  40  -5.970  -4.857  -2.374
  285    HA   LYS  40           HA       LYS  40  -4.991  -4.099   0.353
  286   1HB   LYS  40          1HB       LYS  40  -5.145  -6.891  -0.859
  287   2HB   LYS  40          2HB       LYS  40  -4.289  -6.485   0.620
  288   1HG   LYS  40          1HG       LYS  40  -6.406  -5.661   1.637
  289   2HG   LYS  40          2HG       LYS  40  -7.269  -5.988   0.151
  290   1HD   LYS  40          1HD       LYS  40  -7.750  -7.777   1.696
  291   2HD   LYS  40          2HD       LYS  40  -6.763  -8.426   0.407
  292   1HE   LYS  40          1HE       LYS  40  -5.577  -7.521   3.063
  293   2HE   LYS  40          2HE       LYS  40  -6.122  -9.164   2.779
  294   1HZ   LYS  40          1HZ       LYS  40  -4.524  -8.529   0.636
  295   2HZ   LYS  40          2HZ       LYS  40  -3.710  -7.930   2.002
  296   3HZ   LYS  40          3HZ       LYS  40  -4.156  -9.566   1.928
  297    H    TYR  41           H        TYR  41  -3.115  -3.197   0.227
  298    HA   TYR  41           HA       TYR  41  -1.324  -3.758  -2.033
  299   1HB   TYR  41          1HB       TYR  41  -1.646  -1.444  -0.088
  300   2HB   TYR  41          2HB       TYR  41  -0.296  -1.577  -1.184
  301    HD1  TYR  41           HD1      TYR  41  -3.988  -1.305  -1.002
  302    HD2  TYR  41           HD2      TYR  41  -0.583  -1.156  -3.560
  303    HE1  TYR  41           HE1      TYR  41  -5.378  -0.421  -2.811
  304    HE2  TYR  41           HE2      TYR  41  -1.981  -0.272  -5.365
  305    HH   TYR  41           HH       TYR  41  -4.219   1.068  -5.471
  306    H    PHE  42           H        PHE  42   0.298  -5.052  -1.663
  307    HA   PHE  42           HA       PHE  42   1.422  -5.378   1.060
  308   1HB   PHE  42          1HB       PHE  42   2.139  -7.591  -0.641
  309   2HB   PHE  42          2HB       PHE  42   1.119  -7.568   0.776
  310    HD1  PHE  42           HD1      PHE  42   0.986  -6.888  -2.883
  311    HD2  PHE  42           HD2      PHE  42  -1.099  -7.978   0.641
  312    HE1  PHE  42           HE1      PHE  42  -1.032  -7.383  -4.231
  313    HE2  PHE  42           HE2      PHE  42  -3.125  -8.474  -0.686
  314    HZ   PHE  42           HZ       PHE  42  -3.084  -8.169  -3.108
  315    H    SER  43           H        SER  43   3.529  -6.189   1.061
  316    HA   SER  43           HA       SER  43   5.357  -4.450  -0.407
  317   1HB   SER  43          1HB       SER  43   5.840  -4.905   1.923
  318   2HB   SER  43          2HB       SER  43   5.913  -6.655   1.661
  319    HG   SER  43           HG       SER  43   7.534  -4.766   0.330
  320    H    ASP  44           H        ASP  44   7.379  -5.594  -0.959
  321    HA   ASP  44           HA       ASP  44   6.886  -7.257  -3.322
  322   1HB   ASP  44          1HB       ASP  44   8.863  -5.420  -2.620
  323   2HB   ASP  44          2HB       ASP  44   9.730  -6.933  -2.456
  324    H    ASP  45           H        ASP  45   7.721  -7.759  -0.086
  325    HA   ASP  45           HA       ASP  45   8.922 -10.396  -0.337
  326   1HB   ASP  45          1HB       ASP  45   7.762  -8.993   2.040
  327   2HB   ASP  45          2HB       ASP  45   8.805 -10.401   2.115
  328    H    GLY  46           H        GLY  46   5.786  -9.277  -0.684
  329   1HA   GLY  46          1HA       GLY  46   3.813 -10.359  -0.984
  330   2HA   GLY  46          2HA       GLY  46   4.648 -11.903  -0.710
  331    H    THR  47           H        THR  47   3.857  -8.948   1.059
  332    HA   THR  47           HA       THR  47   2.462 -10.348   3.118
  333    HB   THR  47           HB       THR  47   5.037  -8.771   3.629
  334    HG1  THR  47           HG1      THR  47   5.380 -10.875   3.037
  335   1HG2  THR  47          1HG2      THR  47   3.200 -10.201   5.660
  336   2HG2  THR  47          2HG2      THR  47   4.693  -9.361   6.053
  337   3HG2  THR  47          3HG2      THR  47   3.290  -8.453   5.517
  338    H    PHE  48           H        PHE  48   0.751  -9.202   3.496
  339    HA   PHE  48           HA       PHE  48  -0.012  -6.801   2.370
  340   1HB   PHE  48          1HB       PHE  48  -1.583  -8.331   3.414
  341   2HB   PHE  48          2HB       PHE  48  -0.898  -8.027   5.002
  342    HD1  PHE  48           HD1      PHE  48  -2.706  -6.385   2.172
  343    HD2  PHE  48           HD2      PHE  48  -1.605  -6.154   6.282
  344    HE1  PHE  48           HE1      PHE  48  -4.225  -4.487   2.480
  345    HE2  PHE  48           HE2      PHE  48  -3.119  -4.251   6.583
  346    HZ   PHE  48           HZ       PHE  48  -4.428  -3.412   4.691
  347    H    VAL  49           H        VAL  49   0.543  -4.818   2.542
  348    HA   VAL  49           HA       VAL  49   1.977  -3.792   4.945
  349    HB   VAL  49           HB       VAL  49   1.818  -2.755   2.089
  350   1HG1  VAL  49          1HG1      VAL  49   3.458  -1.706   4.445
  351   2HG1  VAL  49          2HG1      VAL  49   3.578  -1.139   2.788
  352   3HG1  VAL  49          3HG1      VAL  49   2.108  -0.865   3.699
  353   1HG2  VAL  49          1HG2      VAL  49   3.191  -4.799   2.407
  354   2HG2  VAL  49          2HG2      VAL  49   4.200  -3.422   2.013
  355   3HG2  VAL  49          3HG2      VAL  49   4.110  -4.005   3.670
  356    H    CYS  50           H        CYS  50  -0.647  -2.840   2.680
  357    HA   CYS  50           HA       CYS  50  -2.110  -1.504   4.823
  358   1HB   CYS  50          1HB       CYS  50  -0.197  -0.029   3.477
  359   2HB   CYS  50          2HB       CYS  50  -1.684   0.291   2.633
  360    H    GLU  51           H        GLU  51  -4.176  -0.687   3.930
  361    HA   GLU  51           HA       GLU  51  -4.965  -2.185   1.459
  362   1HB   GLU  51          1HB       GLU  51  -6.096  -3.342   3.108
  363   2HB   GLU  51          2HB       GLU  51  -6.269  -1.953   4.156
  364   1HG   GLU  51          1HG       GLU  51  -8.236  -1.265   3.162
  365   2HG   GLU  51          2HG       GLU  51  -7.840  -1.851   1.573
  366    H    GLY  52           H        GLY  52  -5.928  -1.212  -0.063
  367   1HA   GLY  52          1HA       GLY  52  -5.982   1.584  -0.401
  368   2HA   GLY  52          2HA       GLY  52  -6.882   0.453  -1.389
  369    H    GLU  53           H        GLU  53  -7.919   2.944  -0.794
  370    HA   GLU  53           HA       GLU  53 -10.473   2.305   0.390
  371   1HB   GLU  53          1HB       GLU  53 -10.248   4.049   2.271
  372   2HB   GLU  53          2HB       GLU  53  -9.319   2.586   2.516
  373   1HG   GLU  53          1HG       GLU  53  -7.291   3.702   1.631
  374   2HG   GLU  53          2HG       GLU  53  -8.189   5.188   1.370
  375    H    SER  54           H        SER  54 -10.124   3.008  -1.981
  376    HA   SER  54           HA       SER  54 -10.971   4.385  -3.650
  377   1HB   SER  54          1HB       SER  54 -12.736   5.122  -2.000
  378   2HB   SER  54          2HB       SER  54 -11.673   6.424  -1.448
  379    HG   SER  54           HG       SER  54 -12.357   7.454  -3.116
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -9.992  13.356  -6.833
    2   2H    MET   1          2H        MET   1 -10.578  13.467  -8.423
    3   3H    MET   1          3H        MET   1 -11.567  12.834  -7.194
    4    HA   MET   1           HA       MET   1 -10.796  11.022  -8.457
    5   1HB   MET   1          1HB       MET   1  -8.359  12.651  -8.567
    6   2HB   MET   1          2HB       MET   1  -7.950  11.050  -7.990
    7   1HG   MET   1          1HG       MET   1  -9.123  10.051  -9.919
    8   2HG   MET   1          2HG       MET   1  -9.534  11.640 -10.501
    9   1HE   MET   1          1HE       MET   1  -7.430  13.483 -10.792
   10   2HE   MET   1          2HE       MET   1  -6.514  12.980 -12.198
   11   3HE   MET   1          3HE       MET   1  -8.265  12.863 -12.237
   12    H    LYS   2           H        LYS   2 -10.849   9.200  -7.309
   13    HA   LYS   2           HA       LYS   2 -10.489   9.325  -4.398
   14   1HB   LYS   2          1HB       LYS   2 -11.306   7.048  -6.234
   15   2HB   LYS   2          2HB       LYS   2 -11.379   6.973  -4.479
   16   1HG   LYS   2          1HG       LYS   2 -12.919   9.003  -4.547
   17   2HG   LYS   2          2HG       LYS   2 -12.955   8.855  -6.290
   18   1HD   LYS   2          1HD       LYS   2 -13.871   6.695  -4.342
   19   2HD   LYS   2          2HD       LYS   2 -14.935   7.798  -5.184
   20   1HE   LYS   2          1HE       LYS   2 -14.978   5.741  -6.433
   21   2HE   LYS   2          2HE       LYS   2 -14.012   6.856  -7.383
   22   1HZ   LYS   2          1HZ       LYS   2 -12.454   5.363  -5.504
   23   2HZ   LYS   2          2HZ       LYS   2 -13.278   4.374  -6.610
   24   3HZ   LYS   2          3HZ       LYS   2 -12.233   5.586  -7.173
   25    H    ALA   3           H        ALA   3  -8.225   9.779  -4.577
   26    HA   ALA   3           HA       ALA   3  -6.547   7.765  -3.824
   27   1HB   ALA   3          1HB       ALA   3  -6.121   8.497  -6.777
   28   2HB   ALA   3          2HB       ALA   3  -5.012   7.526  -5.824
   29   3HB   ALA   3          3HB       ALA   3  -6.598   6.905  -6.214
   30    H    CYS   4           H        CYS   4  -4.630   8.508  -3.164
   31    HA   CYS   4           HA       CYS   4  -4.292  11.315  -2.705
   32   1HB   CYS   4          1HB       CYS   4  -2.378   9.000  -2.322
   33   2HB   CYS   4          2HB       CYS   4  -2.235  10.565  -1.576
   34    H    THR   5           H        THR   5  -1.610  11.721  -2.922
   35    HA   THR   5           HA       THR   5  -1.258  12.747  -5.514
   36    HB   THR   5           HB       THR   5   0.862  12.193  -3.358
   37    HG1  THR   5           HG1      THR   5  -0.952  13.224  -2.541
   38   1HG2  THR   5          1HG2      THR   5   0.478  14.501  -5.334
   39   2HG2  THR   5          2HG2      THR   5   1.817  14.297  -4.209
   40   3HG2  THR   5          3HG2      THR   5   1.664  13.230  -5.596
   41    H    LEU   6           H        LEU   6  -1.230   9.576  -4.798
   42    HA   LEU   6           HA       LEU   6  -0.579   7.660  -5.895
   43   1HB   LEU   6          1HB       LEU   6   0.524   9.481  -8.085
   44   2HB   LEU   6          2HB       LEU   6   0.068   7.802  -8.234
   45    HG   LEU   6           HG       LEU   6  -1.867  10.086  -7.628
   46   1HD1  LEU   6          1HD1      LEU   6  -1.484   8.405 -10.135
   47   2HD1  LEU   6          2HD1      LEU   6  -2.733   9.616  -9.900
   48   3HD1  LEU   6          3HD1      LEU   6  -1.047  10.096  -9.956
   49   1HD2  LEU   6          1HD2      LEU   6  -2.429   7.122  -8.111
   50   2HD2  LEU   6          2HD2      LEU   6  -2.617   7.952  -6.574
   51   3HD2  LEU   6          3HD2      LEU   6  -3.645   8.376  -7.926
   52    H    ASN   7           H        ASN   7   1.464   9.569  -4.400
   53    HA   ASN   7           HA       ASN   7   4.011   9.059  -5.263
   54   1HB   ASN   7          1HB       ASN   7   3.000   9.342  -2.406
   55   2HB   ASN   7          2HB       ASN   7   4.676   9.535  -2.892
   56   1HD2  ASN   7          2HD2      ASN   7   3.315  11.651  -1.642
   57   2HD2  ASN   7          1HD2      ASN   7   3.083  12.907  -2.760
   58    H    CYS   8           H        CYS   8   5.602   7.691  -4.358
   59    HA   CYS   8           HA       CYS   8   4.628   4.915  -3.923
   60   1HB   CYS   8          1HB       CYS   8   7.500   5.257  -4.337
   61   2HB   CYS   8          2HB       CYS   8   6.372   4.177  -5.093
   62    H    ASP   9           H        ASP   9   4.825   3.904  -2.093
   63    HA   ASP   9           HA       ASP   9   6.363   5.114   0.130
   64   1HB   ASP   9          1HB       ASP   9   4.036   4.585   0.575
   65   2HB   ASP   9          2HB       ASP   9   4.251   2.950   0.014
   66    HA   PRO  10           HA       PRO  10   9.610   2.402  -1.013
   67   1HB   PRO  10          1HB       PRO  10  10.963   2.315   1.491
   68   2HB   PRO  10          2HB       PRO  10  11.242   3.440   0.172
   69   1HG   PRO  10          1HG       PRO  10   9.822   3.878   2.716
   70   2HG   PRO  10          2HG       PRO  10  10.496   5.063   1.606
   71   1HD   PRO  10          1HD       PRO  10   7.750   4.493   1.931
   72   2HD   PRO  10          2HD       PRO  10   8.462   5.381   0.571
   73    H    ARG  11           H        ARG  11   7.536   1.597   1.575
   74    HA   ARG  11           HA       ARG  11   8.503  -1.172   1.821
   75   1HB   ARG  11          1HB       ARG  11   8.054  -0.249   3.881
   76   2HB   ARG  11          2HB       ARG  11   6.749   0.740   3.333
   77   1HG   ARG  11          1HG       ARG  11   5.533  -1.662   3.040
   78   2HG   ARG  11          2HG       ARG  11   6.776  -2.160   4.176
   79   1HD   ARG  11          1HD       ARG  11   4.730  -1.391   5.345
   80   2HD   ARG  11          2HD       ARG  11   6.059  -0.288   5.698
   81    HE   ARG  11           HE       ARG  11   4.460   0.452   3.355
   82   1HH1  ARG  11          1HH1      ARG  11   4.808   0.731   6.794
   83   2HH1  ARG  11          2HH1      ARG  11   3.905   2.205   6.872
   84   1HH2  ARG  11          1HH2      ARG  11   3.324   2.300   3.430
   85   2HH2  ARG  11          2HH2      ARG  11   3.045   3.109   4.937
   86    H    ILE  12           H        ILE  12   5.911   0.724   0.403
   87    HA   ILE  12           HA       ILE  12   4.187  -1.548  -0.170
   88    HB   ILE  12           HB       ILE  12   4.287   1.300  -1.223
   89   1HG1  ILE  12          1HG1      ILE  12   3.566   0.792   1.214
   90   2HG1  ILE  12          2HG1      ILE  12   2.476   1.782   0.275
   91   1HG2  ILE  12          1HG2      ILE  12   2.204  -0.818  -1.907
   92   2HG2  ILE  12          2HG2      ILE  12   2.039   0.896  -2.247
   93   3HG2  ILE  12          3HG2      ILE  12   3.303  -0.036  -3.023
   94   1HD1  ILE  12          1HD1      ILE  12   2.187  -1.194   0.747
   95   2HD1  ILE  12          2HD1      ILE  12   1.274   0.089   1.541
   96   3HD1  ILE  12          3HD1      ILE  12   1.077  -0.186  -0.172
   97    H    ALA  13           H        ALA  13   4.091  -2.779  -1.892
   98    HA   ALA  13           HA       ALA  13   6.163  -2.444  -4.025
   99   1HB   ALA  13          1HB       ALA  13   4.703  -4.961  -3.096
  100   2HB   ALA  13          2HB       ALA  13   5.941  -4.897  -4.333
  101   3HB   ALA  13          3HB       ALA  13   6.345  -4.501  -2.676
  102    H    TYR  14           H        TYR  14   2.967  -3.874  -3.539
  103    HA   TYR  14           HA       TYR  14   1.786  -2.324  -5.719
  104   1HB   TYR  14          1HB       TYR  14   1.215  -4.369  -7.123
  105   2HB   TYR  14          2HB       TYR  14   2.925  -4.022  -7.078
  106    HD1  TYR  14           HD1      TYR  14   4.450  -5.421  -5.696
  107    HD2  TYR  14           HD2      TYR  14   0.350  -6.426  -6.190
  108    HE1  TYR  14           HE1      TYR  14   4.919  -7.687  -4.903
  109    HE2  TYR  14           HE2      TYR  14   0.814  -8.698  -5.400
  110    HH   TYR  14           HH       TYR  14   2.932 -10.234  -5.363
  111    H    GLY  15           H        GLY  15  -0.450  -3.575  -6.239
  112   1HA   GLY  15          1HA       GLY  15  -1.623  -4.755  -3.831
  113   2HA   GLY  15          2HA       GLY  15  -2.234  -3.152  -4.226
  114    H    VAL  16           H        VAL  16  -3.676  -5.527  -4.081
  115    HA   VAL  16           HA       VAL  16  -4.712  -5.744  -6.882
  116    HB   VAL  16           HB       VAL  16  -4.663  -8.049  -4.879
  117   1HG1  VAL  16          1HG1      VAL  16  -5.134  -7.912  -7.906
  118   2HG1  VAL  16          2HG1      VAL  16  -5.169  -9.382  -6.943
  119   3HG1  VAL  16          3HG1      VAL  16  -6.398  -8.154  -6.712
  120   1HG2  VAL  16          1HG2      VAL  16  -2.321  -7.427  -5.591
  121   2HG2  VAL  16          2HG2      VAL  16  -2.806  -8.970  -6.261
  122   3HG2  VAL  16          3HG2      VAL  16  -2.818  -7.528  -7.265
  123    H    CYS  17           H        CYS  17  -6.793  -5.520  -7.133
  124    HA   CYS  17           HA       CYS  17  -8.500  -5.108  -4.729
  125   1HB   CYS  17          1HB       CYS  17  -8.869  -4.073  -7.541
  126   2HB   CYS  17          2HB       CYS  17  -9.830  -3.630  -6.160
  127    HA   PRO  18           HA       PRO  18 -11.106  -8.529  -5.752
  128   1HB   PRO  18          1HB       PRO  18 -13.607  -7.120  -5.351
  129   2HB   PRO  18          2HB       PRO  18 -12.817  -8.272  -4.287
  130   1HG   PRO  18          1HG       PRO  18 -12.990  -5.407  -3.988
  131   2HG   PRO  18          2HG       PRO  18 -12.258  -6.565  -2.888
  132   1HD   PRO  18          1HD       PRO  18 -10.905  -4.669  -4.568
  133   2HD   PRO  18          2HD       PRO  18 -10.164  -5.898  -3.531
  134    H    ARG  19           H        ARG  19 -12.167  -9.348  -7.474
  135    HA   ARG  19           HA       ARG  19 -12.759  -9.563  -9.693
  136   1HB   ARG  19          1HB       ARG  19 -14.862  -8.599  -8.758
  137   2HB   ARG  19          2HB       ARG  19 -14.238  -6.979  -8.913
  138   1HG   ARG  19          1HG       ARG  19 -15.922  -7.561 -10.650
  139   2HG   ARG  19          2HG       ARG  19 -14.419  -7.040 -11.351
  140   1HD   ARG  19          1HD       ARG  19 -15.313  -9.065 -12.503
  141   2HD   ARG  19          2HD       ARG  19 -13.798  -9.473 -11.705
  142    HE   ARG  19           HE       ARG  19 -16.029  -9.942  -9.942
  143   1HH1  ARG  19          1HH1      ARG  19 -14.382 -11.194 -12.722
  144   2HH1  ARG  19          2HH1      ARG  19 -14.866 -12.827 -12.413
  145   1HH2  ARG  19          1HH2      ARG  19 -16.653 -12.000  -9.532
  146   2HH2  ARG  19          2HH2      ARG  19 -16.171 -13.292 -10.581
  147    H    SER  20           H        SER  20 -10.424  -8.103  -8.939
  148    HA   SER  20           HA       SER  20  -9.556  -7.095 -11.551
  149   1HB   SER  20          1HB       SER  20  -9.533  -5.309  -9.046
  150   2HB   SER  20          2HB       SER  20  -8.738  -4.885 -10.569
  151    HG   SER  20           HG       SER  20 -11.484  -5.353 -10.080
  152    H    GLU  21           H        GLU  21  -8.855  -9.316 -10.650
  153    HA   GLU  21           HA       GLU  21  -6.711  -9.398  -8.782
  154   1HB   GLU  21          1HB       GLU  21  -7.863 -11.398 -10.752
  155   2HB   GLU  21          2HB       GLU  21  -6.508 -11.802  -9.718
  156   1HG   GLU  21          1HG       GLU  21  -8.687 -12.515  -8.717
  157   2HG   GLU  21          2HG       GLU  21  -7.844 -11.366  -7.699
  158    H    GLU  22           H        GLU  22  -6.556 -10.569 -12.101
  159    HA   GLU  22           HA       GLU  22  -4.955 -10.452 -13.764
  160   1HB   GLU  22          1HB       GLU  22  -5.607  -8.100 -13.776
  161   2HB   GLU  22          2HB       GLU  22  -4.583  -7.709 -12.428
  162   1HG   GLU  22          1HG       GLU  22  -3.513  -8.659 -15.105
  163   2HG   GLU  22          2HG       GLU  22  -3.745  -6.971 -14.712
  164    H    LYS  23           H        LYS  23  -2.622 -10.477 -14.203
  165    HA   LYS  23           HA       LYS  23  -1.179 -12.062 -12.349
  166   1HB   LYS  23          1HB       LYS  23  -0.619 -10.685 -14.930
  167   2HB   LYS  23          2HB       LYS  23   0.806 -11.137 -14.009
  168   1HG   LYS  23          1HG       LYS  23  -0.108 -13.480 -13.830
  169   2HG   LYS  23          2HG       LYS  23  -1.428 -13.012 -14.881
  170   1HD   LYS  23          1HD       LYS  23   1.525 -12.906 -15.643
  171   2HD   LYS  23          2HD       LYS  23   0.428 -14.190 -16.090
  172   1HE   LYS  23          1HE       LYS  23   0.567 -12.741 -18.004
  173   2HE   LYS  23          2HE       LYS  23  -1.000 -12.420 -17.281
  174   1HZ   LYS  23          1HZ       LYS  23   1.069 -10.764 -16.210
  175   2HZ   LYS  23          2HZ       LYS  23   0.887 -10.580 -17.887
  176   3HZ   LYS  23          3HZ       LYS  23  -0.442 -10.339 -16.858
  177    H    LYS  24           H        LYS  24  -1.033 -11.101 -10.373
  178    HA   LYS  24           HA       LYS  24   0.041  -8.440  -9.933
  179   1HB   LYS  24          1HB       LYS  24   0.269  -9.675  -7.458
  180   2HB   LYS  24          2HB       LYS  24  -1.146  -8.869  -8.050
  181   1HG   LYS  24          1HG       LYS  24  -1.913 -10.902  -7.146
  182   2HG   LYS  24          2HG       LYS  24  -2.033 -11.119  -8.864
  183   1HD   LYS  24          1HD       LYS  24   0.384 -12.082  -7.264
  184   2HD   LYS  24          2HD       LYS  24  -1.056 -13.057  -7.406
  185   1HE   LYS  24          1HE       LYS  24   0.697 -12.186  -9.757
  186   2HE   LYS  24          2HE       LYS  24   0.621 -13.772  -9.034
  187   1HZ   LYS  24          1HZ       LYS  24  -1.677 -12.403 -10.297
  188   2HZ   LYS  24          2HZ       LYS  24  -0.723 -13.604 -11.022
  189   3HZ   LYS  24          3HZ       LYS  24  -1.661 -13.975  -9.656
  190    H    ASN  25           H        ASN  25   1.922  -8.651 -11.186
  191    HA   ASN  25           HA       ASN  25   4.232  -9.574  -9.654
  192   1HB   ASN  25          1HB       ASN  25   3.187 -10.875 -12.132
  193   2HB   ASN  25          2HB       ASN  25   4.884 -10.459 -12.270
  194   1HD2  ASN  25          2HD2      ASN  25   6.403 -11.483 -10.812
  195   2HD2  ASN  25          1HD2      ASN  25   5.968 -12.850  -9.904
  196    H    ASP  26           H        ASP  26   3.271  -7.098  -9.981
  197    HA   ASP  26           HA       ASP  26   5.437  -5.743 -11.465
  198   1HB   ASP  26          1HB       ASP  26   2.746  -5.903 -12.476
  199   2HB   ASP  26          2HB       ASP  26   2.916  -4.273 -11.861
  200    H    ARG  27           H        ARG  27   6.381  -4.861  -9.795
  201    HA   ARG  27           HA       ARG  27   4.924  -3.830  -7.480
  202   1HB   ARG  27          1HB       ARG  27   6.967  -4.976  -7.018
  203   2HB   ARG  27          2HB       ARG  27   7.850  -4.100  -8.243
  204   1HG   ARG  27          1HG       ARG  27   6.759  -2.227  -6.256
  205   2HG   ARG  27          2HG       ARG  27   7.677  -3.482  -5.463
  206   1HD   ARG  27          1HD       ARG  27   9.642  -2.982  -6.826
  207   2HD   ARG  27          2HD       ARG  27   8.771  -1.784  -7.765
  208    HE   ARG  27           HE       ARG  27   9.696  -1.513  -4.977
  209   1HH1  ARG  27          1HH1      ARG  27   7.724  -0.251  -7.543
  210   2HH1  ARG  27          2HH1      ARG  27   7.635   1.326  -6.841
  211   1HH2  ARG  27          1HH2      ARG  27   9.583   0.476  -4.080
  212   2HH2  ARG  27          2HH2      ARG  27   8.695   1.745  -4.857
  213    H    ILE  28           H        ILE  28   3.701  -2.237  -8.505
  214    HA   ILE  28           HA       ILE  28   4.707  -0.105 -10.058
  215    HB   ILE  28           HB       ILE  28   2.393   0.480  -8.286
  216   1HG1  ILE  28          1HG1      ILE  28   0.998  -0.914 -10.226
  217   2HG1  ILE  28          2HG1      ILE  28   2.442  -1.900 -10.197
  218   1HG2  ILE  28          1HG2      ILE  28   2.826   0.712 -11.234
  219   2HG2  ILE  28          2HG2      ILE  28   1.398   1.265 -10.359
  220   3HG2  ILE  28          3HG2      ILE  28   2.955   2.004 -10.036
  221   1HD1  ILE  28          1HD1      ILE  28   2.151  -2.177  -7.745
  222   2HD1  ILE  28          2HD1      ILE  28   0.688  -1.220  -7.811
  223   3HD1  ILE  28          3HD1      ILE  28   0.756  -2.770  -8.634
  224    H    CYS  29           H        CYS  29   4.481   2.179  -9.272
  225    HA   CYS  29           HA       CYS  29   6.026   2.551  -6.737
  226   1HB   CYS  29          1HB       CYS  29   6.765   3.323  -9.153
  227   2HB   CYS  29          2HB       CYS  29   5.650   4.632  -8.916
  228    H    THR  30           H        THR  30   3.986   2.193  -5.649
  229    HA   THR  30           HA       THR  30   2.375   4.693  -5.406
  230    HB   THR  30           HB       THR  30   1.077   3.037  -6.794
  231    HG1  THR  30           HG1      THR  30   0.102   3.203  -4.138
  232   1HG2  THR  30          1HG2      THR  30   2.026   0.901  -5.719
  233   2HG2  THR  30          2HG2      THR  30   1.144   1.303  -4.255
  234   3HG2  THR  30          3HG2      THR  30   0.272   0.945  -5.733
  235    H    ASN  31           H        ASN  31   1.010   4.604  -3.408
  236    HA   ASN  31           HA       ASN  31   2.393   3.272  -1.132
  237   1HB   ASN  31          1HB       ASN  31   2.125   5.387   0.182
  238   2HB   ASN  31          2HB       ASN  31   3.164   5.616  -1.213
  239   1HD2  ASN  31          2HD2      ASN  31   2.002   7.832  -0.021
  240   2HD2  ASN  31          1HD2      ASN  31   0.809   8.478  -1.043
  241    H    CYS  32           H        CYS  32   1.085   3.177   0.824
  242    HA   CYS  32           HA       CYS  32  -1.441   2.009   0.429
  243   1HB   CYS  32          1HB       CYS  32  -0.334   1.563   2.488
  244   2HB   CYS  32          2HB       CYS  32  -0.139   3.257   2.857
  245    H    CYS  33           H        CYS  33  -0.617   5.358   0.937
  246    HA   CYS  33           HA       CYS  33  -3.206   6.390   1.563
  247   1HB   CYS  33          1HB       CYS  33  -1.002   7.613   1.735
  248   2HB   CYS  33          2HB       CYS  33  -1.005   7.769   0.002
  249    H    ALA  34           H        ALA  34  -1.452   6.317  -1.505
  250    HA   ALA  34           HA       ALA  34  -3.572   7.159  -3.193
  251   1HB   ALA  34          1HB       ALA  34  -1.206   5.374  -3.854
  252   2HB   ALA  34          2HB       ALA  34  -2.209   6.204  -5.034
  253   3HB   ALA  34          3HB       ALA  34  -1.226   7.133  -3.914
  254    H    GLY  35           H        GLY  35  -2.863   4.112  -1.782
  255   1HA   GLY  35          1HA       GLY  35  -4.112   2.312  -3.430
  256   2HA   GLY  35          2HA       GLY  35  -4.040   2.127  -1.684
  257    H    THR  36           H        THR  36  -6.234   1.363  -3.425
  258    HA   THR  36           HA       THR  36  -8.352   3.305  -2.763
  259    HB   THR  36           HB       THR  36  -9.014   0.805  -4.277
  260    HG1  THR  36           HG1      THR  36  -6.984   1.536  -5.120
  261   1HG2  THR  36          1HG2      THR  36  -9.569   3.766  -4.831
  262   2HG2  THR  36          2HG2      THR  36 -10.279   2.405  -5.683
  263   3HG2  THR  36          3HG2      THR  36 -10.697   2.697  -4.009
  264    H    LYS  37           H        LYS  37 -10.501   2.173  -2.268
  265    HA   LYS  37           HA       LYS  37 -10.150   0.672   0.232
  266   1HB   LYS  37          1HB       LYS  37 -11.814   2.258   0.546
  267   2HB   LYS  37          2HB       LYS  37 -12.303   2.254  -1.127
  268   1HG   LYS  37          1HG       LYS  37 -13.001  -0.087   0.670
  269   2HG   LYS  37          2HG       LYS  37 -13.958   1.374   0.693
  270   1HD   LYS  37          1HD       LYS  37 -14.489   1.175  -1.680
  271   2HD   LYS  37          2HD       LYS  37 -13.444  -0.209  -1.879
  272   1HE   LYS  37          1HE       LYS  37 -15.887  -0.123  -0.068
  273   2HE   LYS  37          2HE       LYS  37 -15.800  -0.913  -1.637
  274   1HZ   LYS  37          1HZ       LYS  37 -13.669  -1.924  -0.311
  275   2HZ   LYS  37          2HZ       LYS  37 -14.845  -1.800   0.907
  276   3HZ   LYS  37          3HZ       LYS  37 -15.174  -2.687  -0.504
  277    H    GLY  38           H        GLY  38 -11.070  -1.366   0.633
  278   1HA   GLY  38          1HA       GLY  38 -11.888  -3.517   0.132
  279   2HA   GLY  38          2HA       GLY  38 -12.245  -2.983  -1.505
  280    H    CYS  39           H        CYS  39  -9.496  -1.977  -1.843
  281    HA   CYS  39           HA       CYS  39  -8.256  -4.335  -2.938
  282   1HB   CYS  39          1HB       CYS  39  -7.193  -1.559  -2.501
  283   2HB   CYS  39          2HB       CYS  39  -6.523  -2.724  -3.612
  284    H    LYS  40           H        LYS  40  -5.860  -4.578  -2.575
  285    HA   LYS  40           HA       LYS  40  -5.078  -4.440   0.296
  286   1HB   LYS  40          1HB       LYS  40  -5.073  -6.974  -1.391
  287   2HB   LYS  40          2HB       LYS  40  -4.278  -6.815   0.165
  288   1HG   LYS  40          1HG       LYS  40  -6.503  -6.239   1.205
  289   2HG   LYS  40          2HG       LYS  40  -7.269  -6.465  -0.356
  290   1HD   LYS  40          1HD       LYS  40  -7.574  -8.497   0.932
  291   2HD   LYS  40          2HD       LYS  40  -6.472  -8.842  -0.385
  292   1HE   LYS  40          1HE       LYS  40  -4.532  -8.651   1.167
  293   2HE   LYS  40          2HE       LYS  40  -5.619  -8.231   2.484
  294   1HZ   LYS  40          1HZ       LYS  40  -6.689 -10.376   2.220
  295   2HZ   LYS  40          2HZ       LYS  40  -5.619 -10.770   0.961
  296   3HZ   LYS  40          3HZ       LYS  40  -5.029 -10.545   2.539
  297    H    TYR  41           H        TYR  41  -3.322  -3.229   0.195
  298    HA   TYR  41           HA       TYR  41  -1.352  -3.580  -1.944
  299   1HB   TYR  41          1HB       TYR  41  -1.883  -1.394   0.106
  300   2HB   TYR  41          2HB       TYR  41  -0.506  -1.399  -0.972
  301    HD1  TYR  41           HD1      TYR  41  -4.190  -1.258  -0.823
  302    HD2  TYR  41           HD2      TYR  41  -0.786  -0.940  -3.360
  303    HE1  TYR  41           HE1      TYR  41  -5.596  -0.347  -2.604
  304    HE2  TYR  41           HE2      TYR  41  -2.202  -0.036  -5.143
  305    HH   TYR  41           HH       TYR  41  -5.357   1.058  -4.610
  306    H    PHE  42           H        PHE  42   0.298  -4.726  -1.582
  307    HA   PHE  42           HA       PHE  42   1.443  -5.106   1.119
  308   1HB   PHE  42          1HB       PHE  42   2.151  -7.381  -0.406
  309   2HB   PHE  42          2HB       PHE  42   0.941  -7.285   0.844
  310    HD1  PHE  42           HD1      PHE  42   1.145  -6.407  -2.820
  311    HD2  PHE  42           HD2      PHE  42  -1.108  -8.087   0.383
  312    HE1  PHE  42           HE1      PHE  42  -0.682  -6.965  -4.366
  313    HE2  PHE  42           HE2      PHE  42  -2.922  -8.643  -1.169
  314    HZ   PHE  42           HZ       PHE  42  -2.711  -8.082  -3.545
  315    H    SER  43           H        SER  43   3.578  -5.691   1.250
  316    HA   SER  43           HA       SER  43   5.373  -4.112  -0.342
  317   1HB   SER  43          1HB       SER  43   5.890  -6.093   1.921
  318   2HB   SER  43          2HB       SER  43   6.939  -4.819   1.334
  319    HG   SER  43           HG       SER  43   5.938  -3.540   2.605
  320    H    ASP  44           H        ASP  44   7.538  -5.260  -0.641
  321    HA   ASP  44           HA       ASP  44   7.095  -7.453  -2.595
  322   1HB   ASP  44          1HB       ASP  44   8.607  -5.121  -2.755
  323   2HB   ASP  44          2HB       ASP  44   9.839  -6.308  -2.376
  324    H    ASP  45           H        ASP  45   8.725  -6.747   0.376
  325    HA   ASP  45           HA       ASP  45  10.362  -9.145   0.440
  326   1HB   ASP  45          1HB       ASP  45  10.868  -8.429   2.758
  327   2HB   ASP  45          2HB       ASP  45  10.963  -7.060   1.667
  328    H    GLY  46           H        GLY  46   7.119  -8.931   0.532
  329   1HA   GLY  46          1HA       GLY  46   5.555 -10.511   0.990
  330   2HA   GLY  46          2HA       GLY  46   6.786 -11.494   1.801
  331    H    THR  47           H        THR  47   5.167  -8.368   2.176
  332    HA   THR  47           HA       THR  47   4.249  -8.984   4.804
  333    HB   THR  47           HB       THR  47   6.301  -6.791   4.234
  334    HG1  THR  47           HG1      THR  47   7.130  -8.803   4.698
  335   1HG2  THR  47          1HG2      THR  47   4.841  -7.389   6.888
  336   2HG2  THR  47          2HG2      THR  47   6.080  -6.165   6.659
  337   3HG2  THR  47          3HG2      THR  47   4.505  -5.968   5.911
  338    H    PHE  48           H        PHE  48   2.204  -8.494   4.553
  339    HA   PHE  48           HA       PHE  48   1.167  -6.634   2.659
  340   1HB   PHE  48          1HB       PHE  48  -0.186  -8.505   3.474
  341   2HB   PHE  48          2HB       PHE  48  -0.066  -7.924   5.127
  342    HD1  PHE  48           HD1      PHE  48  -1.009  -6.420   1.795
  343    HD2  PHE  48           HD2      PHE  48  -2.018  -6.937   5.903
  344    HE1  PHE  48           HE1      PHE  48  -3.019  -5.066   1.478
  345    HE2  PHE  48           HE2      PHE  48  -4.022  -5.585   5.580
  346    HZ   PHE  48           HZ       PHE  48  -4.526  -4.637   3.360
  347    H    VAL  49           H        VAL  49   0.548  -4.527   2.790
  348    HA   VAL  49           HA       VAL  49   1.403  -3.104   5.280
  349    HB   VAL  49           HB       VAL  49   0.898  -1.957   2.517
  350   1HG1  VAL  49          1HG1      VAL  49   2.234  -0.794   5.009
  351   2HG1  VAL  49          2HG1      VAL  49   2.147   0.014   3.456
  352   3HG1  VAL  49          3HG1      VAL  49   0.681  -0.290   4.366
  353   1HG2  VAL  49          1HG2      VAL  49   3.505  -2.733   3.901
  354   2HG2  VAL  49          2HG2      VAL  49   2.811  -3.537   2.505
  355   3HG2  VAL  49          3HG2      VAL  49   3.398  -1.891   2.364
  356    H    CYS  50           H        CYS  50  -1.245  -2.592   2.823
  357    HA   CYS  50           HA       CYS  50  -3.195  -2.462   4.992
  358   1HB   CYS  50          1HB       CYS  50  -3.557  -0.187   5.182
  359   2HB   CYS  50          2HB       CYS  50  -1.864  -0.112   4.791
  360    H    GLU  51           H        GLU  51  -5.374  -1.756   4.171
  361    HA   GLU  51           HA       GLU  51  -5.699  -2.913   1.453
  362   1HB   GLU  51          1HB       GLU  51  -8.323  -2.384   2.516
  363   2HB   GLU  51          2HB       GLU  51  -7.519  -3.919   2.476
  364   1HG   GLU  51          1HG       GLU  51  -7.158  -1.975   4.787
  365   2HG   GLU  51          2HG       GLU  51  -8.431  -3.172   4.738
  366    H    GLY  52           H        GLY  52  -4.523  -0.694   1.217
  367   1HA   GLY  52          1HA       GLY  52  -4.511   1.492   0.394
  368   2HA   GLY  52          2HA       GLY  52  -5.885   0.945  -0.549
  369    H    GLU  53           H        GLU  53  -7.119   2.799  -0.418
  370    HA   GLU  53           HA       GLU  53  -8.916   3.302   1.628
  371   1HB   GLU  53          1HB       GLU  53  -7.967   5.437   2.648
  372   2HB   GLU  53          2HB       GLU  53  -7.130   4.000   3.155
  373   1HG   GLU  53          1HG       GLU  53  -5.478   4.533   1.159
  374   2HG   GLU  53          2HG       GLU  53  -6.236   6.110   1.147
  375    H    SER  54           H        SER  54  -9.494   3.316  -0.830
  376    HA   SER  54           HA       SER  54 -10.218   4.437  -2.742
  377   1HB   SER  54          1HB       SER  54 -11.860   6.262  -2.115
  378   2HB   SER  54          2HB       SER  54 -12.006   4.855  -1.061
  379    HG   SER  54           HG       SER  54 -10.775   5.885   0.469
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -1.199  14.793  -0.709
    2   2H    MET   1          2H        MET   1  -0.237  16.053  -1.320
    3   3H    MET   1          3H        MET   1  -1.238  16.323   0.025
    4    HA   MET   1           HA       MET   1  -2.531  17.247  -1.558
    5   1HB   MET   1          1HB       MET   1  -2.571  16.512  -3.914
    6   2HB   MET   1          2HB       MET   1  -0.911  16.723  -3.405
    7   1HG   MET   1          1HG       MET   1  -2.393  14.080  -3.589
    8   2HG   MET   1          2HG       MET   1  -1.208  14.658  -4.715
    9   1HE   MET   1          1HE       MET   1   1.295  15.373  -3.755
   10   2HE   MET   1          2HE       MET   1   2.125  13.902  -3.293
   11   3HE   MET   1          3HE       MET   1   1.148  13.905  -4.751
   12    H    LYS   2           H        LYS   2  -4.530  16.452  -2.829
   13    HA   LYS   2           HA       LYS   2  -6.014  14.668  -1.085
   14   1HB   LYS   2          1HB       LYS   2  -7.027  16.683  -2.225
   15   2HB   LYS   2          2HB       LYS   2  -6.763  15.927  -3.773
   16   1HG   LYS   2          1HG       LYS   2  -9.103  15.609  -3.108
   17   2HG   LYS   2          2HG       LYS   2  -8.298  14.061  -3.168
   18   1HD   LYS   2          1HD       LYS   2  -9.711  14.194  -1.165
   19   2HD   LYS   2          2HD       LYS   2  -8.036  14.096  -0.676
   20   1HE   LYS   2          1HE       LYS   2  -7.995  16.570  -0.315
   21   2HE   LYS   2          2HE       LYS   2  -9.665  16.676  -0.861
   22   1HZ   LYS   2          1HZ       LYS   2  -8.704  15.132   1.477
   23   2HZ   LYS   2          2HZ       LYS   2  -9.489  16.638   1.534
   24   3HZ   LYS   2          3HZ       LYS   2 -10.319  15.268   0.968
   25    H    ALA   3           H        ALA   3  -4.975  12.744  -1.227
   26    HA   ALA   3           HA       ALA   3  -4.567  10.572  -1.900
   27   1HB   ALA   3          1HB       ALA   3  -6.943  10.558  -2.660
   28   2HB   ALA   3          2HB       ALA   3  -6.475  11.223  -4.217
   29   3HB   ALA   3          3HB       ALA   3  -5.936   9.623  -3.752
   30    H    CYS   4           H        CYS   4  -2.809   9.752  -2.850
   31    HA   CYS   4           HA       CYS   4  -1.167  11.329  -4.557
   32   1HB   CYS   4          1HB       CYS   4  -1.080   8.390  -3.898
   33   2HB   CYS   4          2HB       CYS   4   0.197   9.283  -4.663
   34    H    THR   5           H        THR   5  -0.227  10.535  -6.579
   35    HA   THR   5           HA       THR   5  -2.301   9.976  -8.551
   36    HB   THR   5           HB       THR   5   0.652  10.733  -8.904
   37    HG1  THR   5           HG1      THR   5  -1.756  12.175  -8.463
   38   1HG2  THR   5          1HG2      THR   5  -1.845  11.259 -10.561
   39   2HG2  THR   5          2HG2      THR   5  -0.188  11.710 -10.977
   40   3HG2  THR   5          3HG2      THR   5  -0.664  10.014 -10.963
   41    H    LEU   6           H        LEU   6  -1.962   7.728  -7.140
   42    HA   LEU   6           HA       LEU   6  -1.434   5.456  -7.252
   43   1HB   LEU   6          1HB       LEU   6  -1.323   6.139 -10.231
   44   2HB   LEU   6          2HB       LEU   6  -1.473   4.520  -9.589
   45    HG   LEU   6           HG       LEU   6  -3.504   6.705  -8.934
   46   1HD1  LEU   6          1HD1      LEU   6  -3.623   4.588 -11.136
   47   2HD1  LEU   6          2HD1      LEU   6  -4.924   5.683 -10.699
   48   3HD1  LEU   6          3HD1      LEU   6  -3.444   6.315 -11.395
   49   1HD2  LEU   6          1HD2      LEU   6  -3.452   4.687  -7.415
   50   2HD2  LEU   6          2HD2      LEU   6  -4.931   4.750  -8.351
   51   3HD2  LEU   6          3HD2      LEU   6  -3.644   3.648  -8.812
   52    H    ASN   7           H        ASN   7   0.883   7.506  -7.297
   53    HA   ASN   7           HA       ASN   7   3.048   6.480  -8.648
   54   1HB   ASN   7          1HB       ASN   7   3.184   7.829  -5.920
   55   2HB   ASN   7          2HB       ASN   7   4.397   7.867  -7.187
   56   1HD2  ASN   7          2HD2      ASN   7   1.531   9.348  -5.986
   57   2HD2  ASN   7          1HD2      ASN   7   1.344  10.507  -7.208
   58    H    CYS   8           H        CYS   8   4.806   5.240  -7.857
   59    HA   CYS   8           HA       CYS   8   3.973   2.952  -6.221
   60   1HB   CYS   8          1HB       CYS   8   6.839   3.125  -6.766
   61   2HB   CYS   8          2HB       CYS   8   5.698   1.864  -7.114
   62    H    ASP   9           H        ASP   9   4.213   2.756  -4.129
   63    HA   ASP   9           HA       ASP   9   5.696   4.820  -2.601
   64   1HB   ASP   9          1HB       ASP   9   3.376   4.146  -1.931
   65   2HB   ASP   9          2HB       ASP   9   3.930   2.523  -1.629
   66    HA   PRO  10           HA       PRO  10   9.169   2.084  -3.156
   67   1HB   PRO  10          1HB       PRO  10  10.637   3.236  -0.917
   68   2HB   PRO  10          2HB       PRO  10  10.927   3.416  -2.639
   69   1HG   PRO  10          1HG       PRO  10   9.750   5.323  -0.831
   70   2HG   PRO  10          2HG       PRO  10  10.077   5.524  -2.545
   71   1HD   PRO  10          1HD       PRO  10   7.519   5.248  -1.301
   72   2HD   PRO  10          2HD       PRO  10   7.850   5.306  -3.038
   73    H    ARG  11           H        ARG  11   7.837   2.497  -0.020
   74    HA   ARG  11           HA       ARG  11   9.038   0.160   1.215
   75   1HB   ARG  11          1HB       ARG  11   7.022   0.666   2.900
   76   2HB   ARG  11          2HB       ARG  11   8.426   1.711   2.839
   77   1HG   ARG  11          1HG       ARG  11   7.306   3.345   1.483
   78   2HG   ARG  11          2HG       ARG  11   5.987   2.245   1.123
   79   1HD   ARG  11          1HD       ARG  11   6.607   3.261   3.923
   80   2HD   ARG  11          2HD       ARG  11   5.457   4.034   2.829
   81    HE   ARG  11           HE       ARG  11   4.978   1.198   3.057
   82   1HH1  ARG  11          1HH1      ARG  11   4.523   4.264   4.612
   83   2HH1  ARG  11          2HH1      ARG  11   3.112   3.755   5.474
   84   1HH2  ARG  11          1HH2      ARG  11   3.191   0.530   4.144
   85   2HH2  ARG  11          2HH2      ARG  11   2.338   1.604   5.204
   86    H    ILE  12           H        ILE  12   6.026   0.876  -0.415
   87    HA   ILE  12           HA       ILE  12   4.903  -1.810   0.059
   88    HB   ILE  12           HB       ILE  12   3.817   0.479  -1.570
   89   1HG1  ILE  12          1HG1      ILE  12   3.365  -0.489   1.300
   90   2HG1  ILE  12          2HG1      ILE  12   4.110   1.020   0.841
   91   1HG2  ILE  12          1HG2      ILE  12   2.890  -1.775  -2.226
   92   2HG2  ILE  12          2HG2      ILE  12   2.506  -2.098  -0.542
   93   3HG2  ILE  12          3HG2      ILE  12   1.678  -0.822  -1.418
   94   1HD1  ILE  12          1HD1      ILE  12   1.992   1.727  -0.223
   95   2HD1  ILE  12          2HD1      ILE  12   1.241   0.225   0.317
   96   3HD1  ILE  12          3HD1      ILE  12   1.812   1.390   1.500
   97    H    ALA  13           H        ALA  13   4.515  -3.266  -1.697
   98    HA   ALA  13           HA       ALA  13   6.411  -3.022  -3.973
   99   1HB   ALA  13          1HB       ALA  13   4.716  -5.377  -3.035
  100   2HB   ALA  13          2HB       ALA  13   5.891  -5.439  -4.333
  101   3HB   ALA  13          3HB       ALA  13   6.423  -5.114  -2.710
  102    H    TYR  14           H        TYR  14   3.078  -4.037  -3.422
  103    HA   TYR  14           HA       TYR  14   2.011  -2.384  -5.572
  104   1HB   TYR  14          1HB       TYR  14   1.290  -4.282  -7.038
  105   2HB   TYR  14          2HB       TYR  14   3.030  -4.156  -6.966
  106    HD1  TYR  14           HD1      TYR  14   4.363  -5.804  -5.743
  107    HD2  TYR  14           HD2      TYR  14   0.133  -6.206  -5.987
  108    HE1  TYR  14           HE1      TYR  14   4.541  -8.120  -4.974
  109    HE2  TYR  14           HE2      TYR  14   0.316  -8.525  -5.222
  110    HH   TYR  14           HH       TYR  14   1.650 -10.145  -4.557
  111    H    GLY  15           H        GLY  15  -0.317  -3.607  -6.124
  112   1HA   GLY  15          1HA       GLY  15  -1.561  -4.703  -3.740
  113   2HA   GLY  15          2HA       GLY  15  -2.034  -3.033  -4.037
  114    H    VAL  16           H        VAL  16  -3.686  -5.280  -3.979
  115    HA   VAL  16           HA       VAL  16  -4.646  -5.558  -6.821
  116    HB   VAL  16           HB       VAL  16  -5.424  -7.308  -4.429
  117   1HG1  VAL  16          1HG1      VAL  16  -5.516  -7.800  -7.454
  118   2HG1  VAL  16          2HG1      VAL  16  -5.996  -8.949  -6.220
  119   3HG1  VAL  16          3HG1      VAL  16  -6.920  -7.482  -6.446
  120   1HG2  VAL  16          1HG2      VAL  16  -2.956  -7.384  -4.823
  121   2HG2  VAL  16          2HG2      VAL  16  -3.717  -8.909  -5.212
  122   3HG2  VAL  16          3HG2      VAL  16  -3.231  -7.803  -6.491
  123    H    CYS  17           H        CYS  17  -7.065  -5.680  -6.966
  124    HA   CYS  17           HA       CYS  17  -8.590  -4.256  -4.899
  125   1HB   CYS  17          1HB       CYS  17  -8.084  -3.109  -7.657
  126   2HB   CYS  17          2HB       CYS  17  -9.272  -2.450  -6.587
  127    HA   PRO  18           HA       PRO  18 -12.351  -6.077  -6.842
  128   1HB   PRO  18          1HB       PRO  18 -13.071  -3.359  -7.805
  129   2HB   PRO  18          2HB       PRO  18 -14.011  -4.502  -6.856
  130   1HG   PRO  18          1HG       PRO  18 -12.611  -2.233  -5.873
  131   2HG   PRO  18          2HG       PRO  18 -13.359  -3.494  -4.904
  132   1HD   PRO  18          1HD       PRO  18 -10.557  -2.971  -5.152
  133   2HD   PRO  18          2HD       PRO  18 -11.301  -4.341  -4.325
  134    H    ARG  19           H        ARG  19 -13.325  -6.268  -8.971
  135    HA   ARG  19           HA       ARG  19 -13.235  -6.702 -11.246
  136   1HB   ARG  19          1HB       ARG  19 -11.099  -4.513 -11.496
  137   2HB   ARG  19          2HB       ARG  19 -12.227  -5.042 -12.717
  138   1HG   ARG  19          1HG       ARG  19 -12.959  -3.514 -10.175
  139   2HG   ARG  19          2HG       ARG  19 -12.921  -2.866 -11.796
  140   1HD   ARG  19          1HD       ARG  19 -14.801  -5.079 -10.838
  141   2HD   ARG  19          2HD       ARG  19 -15.255  -3.415 -11.152
  142    HE   ARG  19           HE       ARG  19 -14.772  -5.486 -13.151
  143   1HH1  ARG  19          1HH1      ARG  19 -14.848  -2.077 -12.512
  144   2HH1  ARG  19          2HH1      ARG  19 -15.124  -1.662 -14.171
  145   1HH2  ARG  19          1HH2      ARG  19 -15.118  -4.978 -15.250
  146   2HH2  ARG  19          2HH2      ARG  19 -15.279  -3.325 -15.742
  147    H    SER  20           H        SER  20 -11.529  -7.893  -9.335
  148    HA   SER  20           HA       SER  20 -10.040  -9.748 -10.813
  149   1HB   SER  20          1HB       SER  20  -7.669  -9.048 -10.021
  150   2HB   SER  20          2HB       SER  20  -8.325  -7.913 -11.201
  151    HG   SER  20           HG       SER  20  -9.186  -6.768  -9.319
  152    H    GLU  21           H        GLU  21 -10.553 -11.312  -9.511
  153    HA   GLU  21           HA       GLU  21 -11.232 -10.996  -6.767
  154   1HB   GLU  21          1HB       GLU  21 -10.943 -13.442  -8.545
  155   2HB   GLU  21          2HB       GLU  21 -11.507 -13.537  -6.891
  156   1HG   GLU  21          1HG       GLU  21 -13.437 -13.446  -8.431
  157   2HG   GLU  21          2HG       GLU  21 -13.406 -12.012  -7.428
  158    H    GLU  22           H        GLU  22  -9.441 -10.199  -5.865
  159    HA   GLU  22           HA       GLU  22  -7.332 -10.064  -4.942
  160   1HB   GLU  22          1HB       GLU  22  -9.084 -11.751  -3.599
  161   2HB   GLU  22          2HB       GLU  22  -7.690 -12.792  -3.714
  162   1HG   GLU  22          1HG       GLU  22  -7.771  -9.985  -2.546
  163   2HG   GLU  22          2HG       GLU  22  -7.605 -11.474  -1.636
  164    H    LYS  23           H        LYS  23  -6.933 -10.827  -7.434
  165    HA   LYS  23           HA       LYS  23  -4.969 -13.023  -7.428
  166   1HB   LYS  23          1HB       LYS  23  -6.711 -12.957  -9.231
  167   2HB   LYS  23          2HB       LYS  23  -6.203 -11.346  -9.687
  168   1HG   LYS  23          1HG       LYS  23  -3.871 -12.381 -10.307
  169   2HG   LYS  23          2HG       LYS  23  -4.601 -13.918  -9.975
  170   1HD   LYS  23          1HD       LYS  23  -5.683 -11.967 -12.038
  171   2HD   LYS  23          2HD       LYS  23  -4.606 -13.298 -12.404
  172   1HE   LYS  23          1HE       LYS  23  -6.301 -14.909 -11.496
  173   2HE   LYS  23          2HE       LYS  23  -7.398 -13.566 -11.199
  174   1HZ   LYS  23          1HZ       LYS  23  -6.277 -14.248 -13.846
  175   2HZ   LYS  23          2HZ       LYS  23  -7.815 -14.712 -13.293
  176   3HZ   LYS  23          3HZ       LYS  23  -7.450 -13.067 -13.508
  177    H    LYS  24           H        LYS  24  -4.028 -10.810  -9.754
  178    HA   LYS  24           HA       LYS  24  -2.916  -8.629  -8.373
  179   1HB   LYS  24          1HB       LYS  24  -0.383  -9.660  -8.810
  180   2HB   LYS  24          2HB       LYS  24  -1.177  -9.656  -7.256
  181   1HG   LYS  24          1HG       LYS  24  -1.798 -11.972  -7.404
  182   2HG   LYS  24          2HG       LYS  24  -1.470 -12.027  -9.124
  183   1HD   LYS  24          1HD       LYS  24   0.304 -13.132  -7.755
  184   2HD   LYS  24          2HD       LYS  24   0.932 -11.809  -8.715
  185   1HE   LYS  24          1HE       LYS  24   1.821 -11.807  -6.372
  186   2HE   LYS  24          2HE       LYS  24   0.947 -10.331  -6.737
  187   1HZ   LYS  24          1HZ       LYS  24  -0.200 -12.677  -5.336
  188   2HZ   LYS  24          2HZ       LYS  24   0.384 -11.272  -4.576
  189   3HZ   LYS  24          3HZ       LYS  24  -0.967 -11.185  -5.604
  190    H    ASN  25           H        ASN  25  -2.122  -7.257  -9.859
  191    HA   ASN  25           HA       ASN  25  -2.319  -8.038 -12.670
  192   1HB   ASN  25          1HB       ASN  25  -2.457  -5.535 -11.083
  193   2HB   ASN  25          2HB       ASN  25  -1.566  -5.308 -12.575
  194   1HD2  ASN  25          2HD2      ASN  25  -2.703  -5.626 -14.598
  195   2HD2  ASN  25          1HD2      ASN  25  -4.398  -5.704 -14.654
  196    H    ASP  26           H        ASP  26  -0.247  -9.281 -11.315
  197    HA   ASP  26           HA       ASP  26   2.002  -9.786 -11.394
  198   1HB   ASP  26          1HB       ASP  26   1.072  -9.212 -14.035
  199   2HB   ASP  26          2HB       ASP  26   2.623  -8.413 -13.958
  200    H    ARG  27           H        ARG  27   2.048  -8.243  -9.632
  201    HA   ARG  27           HA       ARG  27   2.854  -6.459  -8.424
  202   1HB   ARG  27          1HB       ARG  27   4.757  -7.810  -8.470
  203   2HB   ARG  27          2HB       ARG  27   5.051  -7.499 -10.161
  204   1HG   ARG  27          1HG       ARG  27   5.893  -5.241  -9.640
  205   2HG   ARG  27          2HG       ARG  27   5.249  -5.328  -8.013
  206   1HD   ARG  27          1HD       ARG  27   6.942  -7.024  -7.417
  207   2HD   ARG  27          2HD       ARG  27   7.460  -7.147  -9.095
  208    HE   ARG  27           HE       ARG  27   8.795  -5.276  -8.737
  209   1HH1  ARG  27          1HH1      ARG  27   6.203  -5.276  -6.432
  210   2HH1  ARG  27          2HH1      ARG  27   6.786  -3.864  -5.621
  211   1HH2  ARG  27          1HH2      ARG  27   9.545  -3.497  -7.709
  212   2HH2  ARG  27          2HH2      ARG  27   8.699  -2.850  -6.343
  213    H    ILE  28           H        ILE  28   1.827  -4.607  -8.775
  214    HA   ILE  28           HA       ILE  28   2.274  -2.938 -11.057
  215    HB   ILE  28           HB       ILE  28   0.733  -2.291  -8.573
  216   1HG1  ILE  28          1HG1      ILE  28  -1.386  -3.210  -9.926
  217   2HG1  ILE  28          2HG1      ILE  28  -0.224  -4.041 -10.929
  218   1HG2  ILE  28          1HG2      ILE  28   0.323  -1.480 -11.419
  219   2HG2  ILE  28          2HG2      ILE  28  -0.805  -1.130 -10.112
  220   3HG2  ILE  28          3HG2      ILE  28   0.789  -0.444 -10.067
  221   1HD1  ILE  28          1HD1      ILE  28  -0.606  -4.513  -7.955
  222   2HD1  ILE  28          2HD1      ILE  28  -1.290  -5.495  -9.227
  223   3HD1  ILE  28          3HD1      ILE  28   0.429  -5.480  -8.997
  224    H    CYS  29           H        CYS  29   2.400  -0.522 -10.150
  225    HA   CYS  29           HA       CYS  29   4.602  -0.190  -8.160
  226   1HB   CYS  29          1HB       CYS  29   5.203  -0.189 -10.729
  227   2HB   CYS  29          2HB       CYS  29   4.369   1.326 -10.793
  228    H    THR  30           H        THR  30   2.685   0.179  -6.897
  229    HA   THR  30           HA       THR  30   1.557   2.911  -7.242
  230    HB   THR  30           HB       THR  30  -0.097   1.340  -8.149
  231    HG1  THR  30           HG1      THR  30  -0.686   3.061  -6.574
  232   1HG2  THR  30          1HG2      THR  30   0.076  -0.091  -5.439
  233   2HG2  THR  30          2HG2      THR  30  -1.059  -0.470  -6.728
  234   3HG2  THR  30          3HG2      THR  30   0.659  -0.738  -6.953
  235    H    ASN  31           H        ASN  31   0.141   3.467  -5.305
  236    HA   ASN  31           HA       ASN  31   1.480   2.789  -2.733
  237   1HB   ASN  31          1HB       ASN  31   1.269   5.280  -2.157
  238   2HB   ASN  31          2HB       ASN  31   2.355   4.973  -3.493
  239   1HD2  ASN  31          2HD2      ASN  31   2.103   6.974  -4.546
  240   2HD2  ASN  31          1HD2      ASN  31   0.620   7.495  -5.177
  241    H    CYS  32           H        CYS  32   0.131   2.869  -0.912
  242    HA   CYS  32           HA       CYS  32  -2.621   2.144  -1.363
  243   1HB   CYS  32          1HB       CYS  32  -1.295   1.420   0.638
  244   2HB   CYS  32          2HB       CYS  32  -1.262   3.068   1.204
  245    H    CYS  33           H        CYS  33  -0.950   5.059  -0.608
  246    HA   CYS  33           HA       CYS  33  -2.886   6.834   0.280
  247   1HB   CYS  33          1HB       CYS  33  -0.602   7.448   0.255
  248   2HB   CYS  33          2HB       CYS  33  -0.452   7.164  -1.456
  249    H    ALA  34           H        ALA  34  -2.393   5.715  -2.952
  250    HA   ALA  34           HA       ALA  34  -4.425   7.597  -4.058
  251   1HB   ALA  34          1HB       ALA  34  -2.319   7.226  -5.346
  252   2HB   ALA  34          2HB       ALA  34  -2.708   5.516  -5.458
  253   3HB   ALA  34          3HB       ALA  34  -3.728   6.704  -6.255
  254    H    GLY  35           H        GLY  35  -3.719   4.255  -3.565
  255   1HA   GLY  35          1HA       GLY  35  -5.467   2.664  -4.738
  256   2HA   GLY  35          2HA       GLY  35  -5.130   2.467  -3.034
  257    H    THR  36           H        THR  36  -7.430   1.837  -4.681
  258    HA   THR  36           HA       THR  36  -9.614   3.545  -3.717
  259    HB   THR  36           HB       THR  36 -10.044   0.887  -4.948
  260    HG1  THR  36           HG1      THR  36  -8.357   1.912  -6.159
  261   1HG2  THR  36          1HG2      THR  36 -11.299   3.617  -5.559
  262   2HG2  THR  36          2HG2      THR  36 -11.792   2.098  -6.284
  263   3HG2  THR  36          3HG2      THR  36 -12.056   2.366  -4.578
  264    H    LYS  37           H        LYS  37 -11.519   2.192  -2.871
  265    HA   LYS  37           HA       LYS  37 -10.655   0.946  -0.363
  266   1HB   LYS  37          1HB       LYS  37 -12.518   2.214   0.038
  267   2HB   LYS  37          2HB       LYS  37 -13.205   1.986  -1.558
  268   1HG   LYS  37          1HG       LYS  37 -13.904  -0.340  -0.900
  269   2HG   LYS  37          2HG       LYS  37 -13.273  -0.056   0.709
  270   1HD   LYS  37          1HD       LYS  37 -15.501   1.563  -0.604
  271   2HD   LYS  37          2HD       LYS  37 -15.765   0.238   0.505
  272   1HE   LYS  37          1HE       LYS  37 -15.959   2.237   1.822
  273   2HE   LYS  37          2HE       LYS  37 -14.390   1.565   2.231
  274   1HZ   LYS  37          1HZ       LYS  37 -14.294   3.355   0.001
  275   2HZ   LYS  37          2HZ       LYS  37 -14.867   4.091   1.419
  276   3HZ   LYS  37          3HZ       LYS  37 -13.354   3.322   1.414
  277    H    GLY  38           H        GLY  38 -11.214  -1.186   0.254
  278   1HA   GLY  38          1HA       GLY  38 -11.784  -3.455  -0.082
  279   2HA   GLY  38          2HA       GLY  38 -12.205  -3.092  -1.749
  280    H    CYS  39           H        CYS  39  -9.442  -1.687  -1.901
  281    HA   CYS  39           HA       CYS  39  -8.037  -3.833  -3.122
  282   1HB   CYS  39          1HB       CYS  39  -7.039  -1.158  -2.117
  283   2HB   CYS  39          2HB       CYS  39  -6.176  -2.170  -3.215
  284    H    LYS  40           H        LYS  40  -5.693  -4.194  -2.578
  285    HA   LYS  40           HA       LYS  40  -5.121  -4.621   0.283
  286   1HB   LYS  40          1HB       LYS  40  -5.193  -6.843  -1.802
  287   2HB   LYS  40          2HB       LYS  40  -4.437  -6.995  -0.226
  288   1HG   LYS  40          1HG       LYS  40  -6.596  -6.557   0.889
  289   2HG   LYS  40          2HG       LYS  40  -7.380  -6.318  -0.665
  290   1HD   LYS  40          1HD       LYS  40  -7.880  -8.566   0.082
  291   2HD   LYS  40          2HD       LYS  40  -6.802  -8.647  -1.297
  292   1HE   LYS  40          1HE       LYS  40  -4.863  -9.036   0.213
  293   2HE   LYS  40          2HE       LYS  40  -5.924  -8.907   1.610
  294   1HZ   LYS  40          1HZ       LYS  40  -7.189 -10.759   0.198
  295   2HZ   LYS  40          2HZ       LYS  40  -5.590 -11.064  -0.287
  296   3HZ   LYS  40          3HZ       LYS  40  -6.001 -11.108   1.359
  297    H    TYR  41           H        TYR  41  -3.487  -3.185   0.165
  298    HA   TYR  41           HA       TYR  41  -1.349  -3.443  -1.821
  299   1HB   TYR  41          1HB       TYR  41  -2.046  -1.489   0.363
  300   2HB   TYR  41          2HB       TYR  41  -0.474  -1.451  -0.386
  301    HD1  TYR  41           HD1      TYR  41  -4.129  -1.502  -1.341
  302    HD2  TYR  41           HD2      TYR  41  -0.189  -0.216  -2.337
  303    HE1  TYR  41           HE1      TYR  41  -5.014  -0.220  -3.236
  304    HE2  TYR  41           HE2      TYR  41  -1.083   1.053  -4.211
  305    HH   TYR  41           HH       TYR  41  -3.242   2.120  -4.849
  306    H    PHE  42           H        PHE  42   0.391  -4.686  -1.495
  307    HA   PHE  42           HA       PHE  42   1.368  -5.214   1.243
  308   1HB   PHE  42          1HB       PHE  42   2.199  -7.327  -0.520
  309   2HB   PHE  42          2HB       PHE  42   1.177  -7.354   0.886
  310    HD1  PHE  42           HD1      PHE  42   0.868  -6.466  -2.732
  311    HD2  PHE  42           HD2      PHE  42  -0.912  -8.231   0.712
  312    HE1  PHE  42           HE1      PHE  42  -1.065  -7.146  -4.070
  313    HE2  PHE  42           HE2      PHE  42  -2.847  -8.916  -0.632
  314    HZ   PHE  42           HZ       PHE  42  -2.928  -8.382  -3.016
  315    H    SER  43           H        SER  43   3.537  -5.400   1.545
  316    HA   SER  43           HA       SER  43   5.292  -3.823  -0.061
  317   1HB   SER  43          1HB       SER  43   5.649  -5.564   2.387
  318   2HB   SER  43          2HB       SER  43   6.895  -4.557   1.698
  319    HG   SER  43           HG       SER  43   5.479  -2.778   1.867
  320    H    ASP  44           H        ASP  44   7.548  -4.834  -0.079
  321    HA   ASP  44           HA       ASP  44   7.454  -7.029  -2.070
  322   1HB   ASP  44          1HB       ASP  44   8.834  -4.623  -2.028
  323   2HB   ASP  44          2HB       ASP  44  10.084  -5.745  -1.532
  324    H    ASP  45           H        ASP  45   8.525  -6.494   1.155
  325    HA   ASP  45           HA       ASP  45  10.395  -8.727   1.242
  326   1HB   ASP  45          1HB       ASP  45  10.509  -8.249   3.643
  327   2HB   ASP  45          2HB       ASP  45  10.528  -6.730   2.770
  328    H    GLY  46           H        GLY  46   7.226  -8.865   0.707
  329   1HA   GLY  46          1HA       GLY  46   5.753 -10.587   0.764
  330   2HA   GLY  46          2HA       GLY  46   6.946 -11.555   1.646
  331    H    THR  47           H        THR  47   5.076  -8.589   2.163
  332    HA   THR  47           HA       THR  47   3.771  -9.632   4.475
  333    HB   THR  47           HB       THR  47   5.743  -7.303   4.597
  334    HG1  THR  47           HG1      THR  47   6.744  -8.686   6.048
  335   1HG2  THR  47          1HG2      THR  47   3.952  -8.425   6.849
  336   2HG2  THR  47          2HG2      THR  47   5.124  -7.129   7.033
  337   3HG2  THR  47          3HG2      THR  47   3.670  -6.867   6.089
  338    H    PHE  48           H        PHE  48   1.880  -8.694   4.838
  339    HA   PHE  48           HA       PHE  48   0.733  -6.994   2.808
  340   1HB   PHE  48          1HB       PHE  48  -0.650  -8.717   3.698
  341   2HB   PHE  48          2HB       PHE  48  -0.288  -8.276   5.357
  342    HD1  PHE  48           HD1      PHE  48  -1.309  -6.350   6.396
  343    HD2  PHE  48           HD2      PHE  48  -2.318  -7.389   2.384
  344    HE1  PHE  48           HE1      PHE  48  -3.245  -4.857   6.502
  345    HE2  PHE  48           HE2      PHE  48  -4.259  -5.892   2.500
  346    HZ   PHE  48           HZ       PHE  48  -4.711  -4.622   4.569
  347    H    VAL  49           H        VAL  49   0.249  -4.892   2.843
  348    HA   VAL  49           HA       VAL  49   1.151  -3.278   5.189
  349    HB   VAL  49           HB       VAL  49   0.714  -2.390   2.294
  350   1HG1  VAL  49          1HG1      VAL  49   1.935  -0.938   4.671
  351   2HG1  VAL  49          2HG1      VAL  49   1.855  -0.332   3.023
  352   3HG1  VAL  49          3HG1      VAL  49   0.385  -0.551   3.945
  353   1HG2  VAL  49          1HG2      VAL  49   2.626  -3.956   2.608
  354   2HG2  VAL  49          2HG2      VAL  49   3.164  -2.337   2.217
  355   3HG2  VAL  49          3HG2      VAL  49   3.255  -2.918   3.872
  356    H    CYS  50           H        CYS  50  -1.266  -2.521   2.646
  357    HA   CYS  50           HA       CYS  50  -3.249  -2.003   4.834
  358   1HB   CYS  50          1HB       CYS  50  -3.684   0.128   4.099
  359   2HB   CYS  50          2HB       CYS  50  -2.034   0.049   3.554
  360    H    GLU  51           H        GLU  51  -5.442  -1.761   4.010
  361    HA   GLU  51           HA       GLU  51  -6.035  -3.437   1.644
  362   1HB   GLU  51          1HB       GLU  51  -6.515  -5.033   3.165
  363   2HB   GLU  51          2HB       GLU  51  -6.686  -3.920   4.498
  364   1HG   GLU  51          1HG       GLU  51  -8.772  -5.195   4.047
  365   2HG   GLU  51          2HG       GLU  51  -9.034  -3.479   3.924
  366    H    GLY  52           H        GLY  52  -6.691  -1.883   0.393
  367   1HA   GLY  52          1HA       GLY  52  -8.195  -0.414  -0.566
  368   2HA   GLY  52          2HA       GLY  52  -9.254  -0.661   0.804
  369    H    GLU  53           H        GLU  53  -9.030   1.851  -0.319
  370    HA   GLU  53           HA       GLU  53  -8.201   3.421   1.951
  371   1HB   GLU  53          1HB       GLU  53  -5.994   2.976   0.933
  372   2HB   GLU  53          2HB       GLU  53  -6.528   3.596  -0.601
  373   1HG   GLU  53          1HG       GLU  53  -6.626   5.325   1.903
  374   2HG   GLU  53          2HG       GLU  53  -5.115   5.135   1.047
  375    H    SER  54           H        SER  54  -9.311   3.558  -1.532
  376    HA   SER  54           HA       SER  54 -10.740   6.080  -0.671
  377   1HB   SER  54          1HB       SER  54  -9.607   5.459  -3.468
  378   2HB   SER  54          2HB       SER  54 -10.561   6.872  -3.027
  379    HG   SER  54           HG       SER  54  -8.286   6.057  -1.588
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -1.281  17.195   3.166
    2   2H    MET   1          2H        MET   1  -0.498  18.644   3.582
    3   3H    MET   1          3H        MET   1  -2.188  18.523   3.712
    4    HA   MET   1           HA       MET   1  -1.705  19.770   1.781
    5   1HB   MET   1          1HB       MET   1   0.476  17.823   1.564
    6   2HB   MET   1          2HB       MET   1  -0.431  17.834   0.066
    7   1HG   MET   1          1HG       MET   1   1.355  19.479  -0.032
    8   2HG   MET   1          2HG       MET   1  -0.196  20.262  -0.098
    9   1HE   MET   1          1HE       MET   1   3.224  20.160   1.364
   10   2HE   MET   1          2HE       MET   1   3.059  20.685   3.030
   11   3HE   MET   1          3HE       MET   1   2.469  19.096   2.577
   12    H    LYS   2           H        LYS   2  -2.965  19.567  -0.099
   13    HA   LYS   2           HA       LYS   2  -5.240  17.935   0.126
   14   1HB   LYS   2          1HB       LYS   2  -5.107  20.110  -1.106
   15   2HB   LYS   2          2HB       LYS   2  -4.095  19.360  -2.320
   16   1HG   LYS   2          1HG       LYS   2  -6.387  19.483  -3.140
   17   2HG   LYS   2          2HG       LYS   2  -5.958  17.802  -2.907
   18   1HD   LYS   2          1HD       LYS   2  -7.158  17.798  -0.709
   19   2HD   LYS   2          2HD       LYS   2  -7.543  19.501  -0.917
   20   1HE   LYS   2          1HE       LYS   2  -8.784  18.944  -2.986
   21   2HE   LYS   2          2HE       LYS   2  -8.381  17.242  -2.763
   22   1HZ   LYS   2          1HZ       LYS   2  -9.558  17.274  -0.662
   23   2HZ   LYS   2          2HZ       LYS   2  -9.952  18.911  -0.885
   24   3HZ   LYS   2          3HZ       LYS   2 -10.581  17.735  -1.938
   25    H    ALA   3           H        ALA   3  -5.834  16.060  -0.746
   26    HA   ALA   3           HA       ALA   3  -5.718  13.928  -1.638
   27   1HB   ALA   3          1HB       ALA   3  -5.499  15.138  -3.790
   28   2HB   ALA   3          2HB       ALA   3  -3.757  15.233  -3.594
   29   3HB   ALA   3          3HB       ALA   3  -4.530  13.676  -3.817
   30    H    CYS   4           H        CYS   4  -4.256  12.082  -2.151
   31    HA   CYS   4           HA       CYS   4  -2.351  11.737  -0.018
   32   1HB   CYS   4          1HB       CYS   4  -3.083  10.029  -2.392
   33   2HB   CYS   4          2HB       CYS   4  -2.065   9.498  -1.091
   34    H    THR   5           H        THR   5  -0.267  10.394  -0.756
   35    HA   THR   5           HA       THR   5   1.472  12.294  -1.997
   36    HB   THR   5           HB       THR   5   1.930   9.369  -1.109
   37    HG1  THR   5           HG1      THR   5   2.098  11.917   0.136
   38   1HG2  THR   5          1HG2      THR   5   3.826  11.749  -1.326
   39   2HG2  THR   5          2HG2      THR   5   4.249  10.110  -0.827
   40   3HG2  THR   5          3HG2      THR   5   3.782  10.431  -2.495
   41    H    LEU   6           H        LEU   6   0.097   9.238  -2.913
   42    HA   LEU   6           HA       LEU   6  -0.337   8.267  -4.962
   43   1HB   LEU   6          1HB       LEU   6   0.917  10.681  -6.326
   44   2HB   LEU   6          2HB       LEU   6  -0.274   9.569  -6.962
   45    HG   LEU   6           HG       LEU   6  -0.773  11.532  -4.667
   46   1HD1  LEU   6          1HD1      LEU   6  -1.755  11.550  -7.551
   47   2HD1  LEU   6          2HD1      LEU   6  -2.232  12.691  -6.303
   48   3HD1  LEU   6          3HD1      LEU   6  -0.569  12.648  -6.861
   49   1HD2  LEU   6          1HD2      LEU   6  -2.715   9.660  -6.114
   50   2HD2  LEU   6          2HD2      LEU   6  -2.163   9.454  -4.461
   51   3HD2  LEU   6          3HD2      LEU   6  -3.154  10.835  -4.884
   52    H    ASN   7           H        ASN   7   2.865   9.647  -4.493
   53    HA   ASN   7           HA       ASN   7   4.236   8.250  -6.445
   54   1HB   ASN   7          1HB       ASN   7   5.222   9.288  -3.756
   55   2HB   ASN   7          2HB       ASN   7   6.259   8.862  -5.108
   56   1HD2  ASN   7          2HD2      ASN   7   5.795  10.095  -7.209
   57   2HD2  ASN   7          1HD2      ASN   7   5.314  11.717  -7.070
   58    H    CYS   8           H        CYS   8   6.171   6.808  -5.634
   59    HA   CYS   8           HA       CYS   8   4.979   4.315  -4.723
   60   1HB   CYS   8          1HB       CYS   8   7.907   4.366  -4.758
   61   2HB   CYS   8          2HB       CYS   8   6.797   3.336  -5.602
   62    H    ASP   9           H        ASP   9   4.829   3.639  -2.770
   63    HA   ASP   9           HA       ASP   9   6.142   5.080  -0.545
   64   1HB   ASP   9          1HB       ASP   9   3.760   4.785  -0.397
   65   2HB   ASP   9          2HB       ASP   9   3.881   3.053  -0.642
   66    HA   PRO  10           HA       PRO  10   9.347   2.155  -0.791
   67   1HB   PRO  10          1HB       PRO  10  10.248   2.313   1.924
   68   2HB   PRO  10          2HB       PRO  10  10.851   3.221   0.547
   69   1HG   PRO  10          1HG       PRO  10   9.071   4.110   2.709
   70   2HG   PRO  10          2HG       PRO  10   9.990   5.078   1.566
   71   1HD   PRO  10          1HD       PRO  10   7.195   4.701   1.513
   72   2HD   PRO  10          2HD       PRO  10   8.172   5.329   0.172
   73    H    ARG  11           H        ARG  11   7.181   1.836   1.894
   74    HA   ARG  11           HA       ARG  11   7.829  -0.848   2.502
   75   1HB   ARG  11          1HB       ARG  11   6.845   0.915   4.058
   76   2HB   ARG  11          2HB       ARG  11   5.345   0.798   3.175
   77   1HG   ARG  11          1HG       ARG  11   5.163  -0.494   5.190
   78   2HG   ARG  11          2HG       ARG  11   5.116  -1.558   3.802
   79   1HD   ARG  11          1HD       ARG  11   7.738  -1.000   5.215
   80   2HD   ARG  11          2HD       ARG  11   6.613  -2.212   5.787
   81    HE   ARG  11           HE       ARG  11   7.179  -2.450   2.951
   82   1HH1  ARG  11          1HH1      ARG  11   8.262  -3.261   6.144
   83   2HH1  ARG  11          2HH1      ARG  11   9.164  -4.639   5.611
   84   1HH2  ARG  11          1HH2      ARG  11   8.327  -4.190   2.259
   85   2HH2  ARG  11          2HH2      ARG  11   9.200  -5.175   3.385
   86    H    ILE  12           H        ILE  12   5.481   0.749   0.426
   87    HA   ILE  12           HA       ILE  12   4.023  -1.737  -0.156
   88    HB   ILE  12           HB       ILE  12   3.756   1.062  -1.244
   89   1HG1  ILE  12          1HG1      ILE  12   2.122  -0.675   0.675
   90   2HG1  ILE  12          2HG1      ILE  12   3.194   0.618   1.176
   91   1HG2  ILE  12          1HG2      ILE  12   1.991  -1.401  -1.738
   92   2HG2  ILE  12          2HG2      ILE  12   1.620   0.230  -2.269
   93   3HG2  ILE  12          3HG2      ILE  12   2.976  -0.615  -2.960
   94   1HD1  ILE  12          1HD1      ILE  12   1.829   2.229  -0.061
   95   2HD1  ILE  12          2HD1      ILE  12   0.720   0.938  -0.530
   96   3HD1  ILE  12          3HD1      ILE  12   0.906   1.362   1.163
   97    H    ALA  13           H        ALA  13   3.926  -2.761  -2.036
   98    HA   ALA  13           HA       ALA  13   6.100  -2.350  -4.047
   99   1HB   ALA  13          1HB       ALA  13   4.759  -4.948  -3.158
  100   2HB   ALA  13          2HB       ALA  13   6.017  -4.823  -4.368
  101   3HB   ALA  13          3HB       ALA  13   6.366  -4.415  -2.698
  102    H    TYR  14           H        TYR  14   2.992  -3.962  -3.601
  103    HA   TYR  14           HA       TYR  14   1.777  -2.496  -5.836
  104   1HB   TYR  14          1HB       TYR  14   1.256  -4.594  -7.149
  105   2HB   TYR  14          2HB       TYR  14   2.969  -4.267  -7.059
  106    HD1  TYR  14           HD1      TYR  14   4.399  -5.612  -5.469
  107    HD2  TYR  14           HD2      TYR  14   0.346  -6.612  -6.263
  108    HE1  TYR  14           HE1      TYR  14   4.785  -7.858  -4.574
  109    HE2  TYR  14           HE2      TYR  14   0.727  -8.857  -5.370
  110    HH   TYR  14           HH       TYR  14   2.624 -10.406  -5.038
  111    H    GLY  15           H        GLY  15  -0.435  -3.875  -6.291
  112   1HA   GLY  15          1HA       GLY  15  -1.590  -4.798  -3.753
  113   2HA   GLY  15          2HA       GLY  15  -2.280  -3.312  -4.403
  114    H    VAL  16           H        VAL  16  -4.044  -5.082  -4.078
  115    HA   VAL  16           HA       VAL  16  -4.752  -6.024  -6.803
  116    HB   VAL  16           HB       VAL  16  -4.541  -7.824  -4.356
  117   1HG1  VAL  16          1HG1      VAL  16  -5.969  -8.501  -6.959
  118   2HG1  VAL  16          2HG1      VAL  16  -5.615  -9.640  -5.672
  119   3HG1  VAL  16          3HG1      VAL  16  -6.735  -8.327  -5.387
  120   1HG2  VAL  16          1HG2      VAL  16  -3.411  -8.104  -7.162
  121   2HG2  VAL  16          2HG2      VAL  16  -2.495  -7.671  -5.728
  122   3HG2  VAL  16          3HG2      VAL  16  -3.219  -9.255  -5.846
  123    H    CYS  17           H        CYS  17  -6.979  -6.360  -7.097
  124    HA   CYS  17           HA       CYS  17  -8.846  -5.783  -4.882
  125   1HB   CYS  17          1HB       CYS  17  -7.965  -3.679  -6.537
  126   2HB   CYS  17          2HB       CYS  17  -9.469  -4.150  -7.285
  127    HA   PRO  18           HA       PRO  18 -11.455  -8.640  -6.841
  128   1HB   PRO  18          1HB       PRO  18 -13.721  -6.872  -7.508
  129   2HB   PRO  18          2HB       PRO  18 -13.635  -8.197  -6.357
  130   1HG   PRO  18          1HG       PRO  18 -13.705  -5.500  -5.672
  131   2HG   PRO  18          2HG       PRO  18 -13.142  -6.785  -4.615
  132   1HD   PRO  18          1HD       PRO  18 -11.566  -4.741  -6.062
  133   2HD   PRO  18          2HD       PRO  18 -11.094  -5.718  -4.656
  134    H    ARG  19           H        ARG  19 -12.637  -9.346  -8.784
  135    HA   ARG  19           HA       ARG  19 -12.628  -9.778 -11.055
  136   1HB   ARG  19          1HB       ARG  19 -13.030  -6.787 -10.796
  137   2HB   ARG  19          2HB       ARG  19 -12.630  -7.343 -12.400
  138   1HG   ARG  19          1HG       ARG  19 -14.899  -8.497 -10.743
  139   2HG   ARG  19          2HG       ARG  19 -15.098  -7.220 -11.925
  140   1HD   ARG  19          1HD       ARG  19 -14.205  -8.764 -13.714
  141   2HD   ARG  19          2HD       ARG  19 -14.079 -10.046 -12.522
  142    HE   ARG  19           HE       ARG  19 -16.399 -10.320 -12.580
  143   1HH1  ARG  19          1HH1      ARG  19 -15.488  -7.349 -14.121
  144   2HH1  ARG  19          2HH1      ARG  19 -17.075  -7.061 -14.748
  145   1HH2  ARG  19          1HH2      ARG  19 -18.410  -9.971 -13.364
  146   2HH2  ARG  19          2HH2      ARG  19 -18.753  -8.563 -14.313
  147    H    SER  20           H        SER  20 -10.181  -9.722  -9.707
  148    HA   SER  20           HA       SER  20  -7.889  -9.789 -10.004
  149   1HB   SER  20          1HB       SER  20  -8.786 -10.241 -12.921
  150   2HB   SER  20          2HB       SER  20  -7.192 -10.661 -12.273
  151    HG   SER  20           HG       SER  20  -9.703 -11.568 -11.325
  152    H    GLU  21           H        GLU  21  -8.503  -7.375  -9.611
  153    HA   GLU  21           HA       GLU  21  -7.631  -5.551 -11.657
  154   1HB   GLU  21          1HB       GLU  21  -9.457  -5.063  -9.962
  155   2HB   GLU  21          2HB       GLU  21  -8.226  -5.061  -8.720
  156   1HG   GLU  21          1HG       GLU  21  -8.329  -3.155 -11.101
  157   2HG   GLU  21          2HG       GLU  21  -8.855  -2.754  -9.479
  158    H    GLU  22           H        GLU  22  -5.560  -5.330 -12.027
  159    HA   GLU  22           HA       GLU  22  -3.271  -5.038 -11.792
  160   1HB   GLU  22          1HB       GLU  22  -4.288  -3.851  -9.474
  161   2HB   GLU  22          2HB       GLU  22  -3.206  -5.036  -8.810
  162   1HG   GLU  22          1HG       GLU  22  -1.331  -4.113 -10.079
  163   2HG   GLU  22          2HG       GLU  22  -2.405  -3.033 -10.957
  164    H    LYS  23           H        LYS  23  -2.119  -6.748 -12.289
  165    HA   LYS  23           HA       LYS  23  -2.445  -9.318 -11.054
  166   1HB   LYS  23          1HB       LYS  23  -1.340 -10.036 -12.918
  167   2HB   LYS  23          2HB       LYS  23  -1.579  -8.407 -13.492
  168   1HG   LYS  23          1HG       LYS  23   0.720  -7.814 -12.649
  169   2HG   LYS  23          2HG       LYS  23   0.946  -9.496 -12.184
  170   1HD   LYS  23          1HD       LYS  23   0.508 -10.215 -14.537
  171   2HD   LYS  23          2HD       LYS  23   0.280  -8.543 -15.011
  172   1HE   LYS  23          1HE       LYS  23   2.863  -9.719 -13.918
  173   2HE   LYS  23          2HE       LYS  23   2.547  -9.315 -15.594
  174   1HZ   LYS  23          1HZ       LYS  23   1.924  -7.049 -14.194
  175   2HZ   LYS  23          2HZ       LYS  23   3.344  -7.632 -13.467
  176   3HZ   LYS  23          3HZ       LYS  23   3.311  -7.323 -15.135
  177    H    LYS  24           H        LYS  24  -0.809 -10.505  -9.924
  178    HA   LYS  24           HA       LYS  24   0.740  -8.801  -8.054
  179   1HB   LYS  24          1HB       LYS  24   0.313 -11.821  -7.797
  180   2HB   LYS  24          2HB       LYS  24   0.709 -10.677  -6.538
  181   1HG   LYS  24          1HG       LYS  24  -1.518 -10.896  -6.081
  182   2HG   LYS  24          2HG       LYS  24  -1.604  -9.592  -7.252
  183   1HD   LYS  24          1HD       LYS  24  -2.122 -11.232  -9.079
  184   2HD   LYS  24          2HD       LYS  24  -1.972 -12.544  -7.933
  185   1HE   LYS  24          1HE       LYS  24  -4.030 -10.301  -7.783
  186   2HE   LYS  24          2HE       LYS  24  -4.338 -11.935  -8.343
  187   1HZ   LYS  24          1HZ       LYS  24  -3.639 -12.749  -6.159
  188   2HZ   LYS  24          2HZ       LYS  24  -3.480 -11.145  -5.622
  189   3HZ   LYS  24          3HZ       LYS  24  -5.003 -11.739  -6.084
  190    H    ASN  25           H        ASN  25   1.996  -8.577 -10.217
  191    HA   ASN  25           HA       ASN  25   4.551  -9.875  -9.788
  192   1HB   ASN  25          1HB       ASN  25   2.677 -10.873 -11.890
  193   2HB   ASN  25          2HB       ASN  25   4.261 -10.488 -12.535
  194   1HD2  ASN  25          2HD2      ASN  25   2.486 -12.791 -10.694
  195   2HD2  ASN  25          1HD2      ASN  25   3.797 -13.792 -10.294
  196    H    ASP  26           H        ASP  26   3.496  -7.275  -9.737
  197    HA   ASP  26           HA       ASP  26   5.462  -5.892 -11.391
  198   1HB   ASP  26          1HB       ASP  26   2.769  -6.139 -12.383
  199   2HB   ASP  26          2HB       ASP  26   2.893  -4.501 -11.793
  200    H    ARG  27           H        ARG  27   6.395  -4.801  -9.835
  201    HA   ARG  27           HA       ARG  27   4.932  -3.804  -7.505
  202   1HB   ARG  27          1HB       ARG  27   7.103  -4.725  -7.075
  203   2HB   ARG  27          2HB       ARG  27   7.848  -3.823  -8.372
  204   1HG   ARG  27          1HG       ARG  27   6.632  -1.980  -6.421
  205   2HG   ARG  27          2HG       ARG  27   7.711  -3.092  -5.620
  206   1HD   ARG  27          1HD       ARG  27   9.575  -2.423  -7.010
  207   2HD   ARG  27          2HD       ARG  27   8.532  -1.484  -8.070
  208    HE   ARG  27           HE       ARG  27   8.588  -0.775  -5.185
  209   1HH1  ARG  27          1HH1      ARG  27   9.511  -0.019  -8.456
  210   2HH1  ARG  27          2HH1      ARG  27   9.901   1.619  -8.067
  211   1HH2  ARG  27          1HH2      ARG  27   9.083   1.288  -4.699
  212   2HH2  ARG  27          2HH2      ARG  27   9.660   2.370  -5.922
  213    H    ILE  28           H        ILE  28   3.521  -2.388  -8.609
  214    HA   ILE  28           HA       ILE  28   4.324  -0.216 -10.236
  215    HB   ILE  28           HB       ILE  28   1.883   0.137  -8.565
  216   1HG1  ILE  28          1HG1      ILE  28   0.727  -1.485 -10.449
  217   2HG1  ILE  28          2HG1      ILE  28   2.281  -2.284 -10.360
  218   1HG2  ILE  28          1HG2      ILE  28   2.403   0.294 -11.515
  219   2HG2  ILE  28          2HG2      ILE  28   0.886   0.712 -10.718
  220   3HG2  ILE  28          3HG2      ILE  28   2.329   1.650 -10.391
  221   1HD1  ILE  28          1HD1      ILE  28   1.987  -2.497  -7.901
  222   2HD1  ILE  28          2HD1      ILE  28   0.436  -1.702  -8.023
  223   3HD1  ILE  28          3HD1      ILE  28   0.678  -3.273  -8.779
  224    H    CYS  29           H        CYS  29   3.721   2.062  -9.507
  225    HA   CYS  29           HA       CYS  29   5.161   2.701  -6.978
  226   1HB   CYS  29          1HB       CYS  29   6.135   3.606  -9.033
  227   2HB   CYS  29          2HB       CYS  29   4.614   4.330  -9.480
  228    H    THR  30           H        THR  30   3.551   2.607  -5.483
  229    HA   THR  30           HA       THR  30   1.553   4.773  -5.539
  230    HB   THR  30           HB       THR  30   0.349   2.867  -6.656
  231    HG1  THR  30           HG1      THR  30  -0.451   3.198  -3.955
  232   1HG2  THR  30          1HG2      THR  30   1.613   0.965  -5.488
  233   2HG2  THR  30          2HG2      THR  30   0.791   1.396  -3.996
  234   3HG2  THR  30          3HG2      THR  30  -0.131   0.806  -5.368
  235    H    ASN  31           H        ASN  31   0.372   4.944  -3.560
  236    HA   ASN  31           HA       ASN  31   1.940   4.148  -1.147
  237   1HB   ASN  31          1HB       ASN  31   2.081   6.600  -1.726
  238   2HB   ASN  31          2HB       ASN  31   0.334   6.692  -1.681
  239   1HD2  ASN  31          2HD2      ASN  31   0.327   8.228   0.009
  240   2HD2  ASN  31          1HD2      ASN  31   0.792   7.841   1.594
  241    H    CYS  32           H        CYS  32   0.626   4.009   0.848
  242    HA   CYS  32           HA       CYS  32  -1.621   2.285   0.527
  243   1HB   CYS  32          1HB       CYS  32  -0.402   2.190   2.613
  244   2HB   CYS  32          2HB       CYS  32  -0.623   3.898   2.898
  245    H    CYS  33           H        CYS  33  -1.401   5.665   1.452
  246    HA   CYS  33           HA       CYS  33  -4.162   6.248   1.728
  247   1HB   CYS  33          1HB       CYS  33  -2.321   7.714   2.463
  248   2HB   CYS  33          2HB       CYS  33  -1.867   8.002   0.811
  249    H    ALA  34           H        ALA  34  -2.005   6.462  -1.040
  250    HA   ALA  34           HA       ALA  34  -3.791   7.533  -2.956
  251   1HB   ALA  34          1HB       ALA  34  -1.353   7.336  -3.299
  252   2HB   ALA  34          2HB       ALA  34  -1.482   5.589  -3.377
  253   3HB   ALA  34          3HB       ALA  34  -2.216   6.575  -4.630
  254    H    GLY  35           H        GLY  35  -3.014   4.128  -2.290
  255   1HA   GLY  35          1HA       GLY  35  -4.666   2.915  -4.141
  256   2HA   GLY  35          2HA       GLY  35  -4.214   2.172  -2.615
  257    H    THR  36           H        THR  36  -6.808   2.156  -4.047
  258    HA   THR  36           HA       THR  36  -8.575   3.776  -2.374
  259    HB   THR  36           HB       THR  36  -9.713   1.525  -3.942
  260    HG1  THR  36           HG1      THR  36  -8.040   2.444  -5.257
  261   1HG2  THR  36          1HG2      THR  36 -11.241   3.277  -2.911
  262   2HG2  THR  36          2HG2      THR  36 -10.435   4.497  -3.879
  263   3HG2  THR  36          3HG2      THR  36 -11.350   3.226  -4.655
  264    H    LYS  37           H        LYS  37 -10.467   2.700  -1.432
  265    HA   LYS  37           HA       LYS  37  -9.603   0.858   0.662
  266   1HB   LYS  37          1HB       LYS  37 -11.142   2.348   1.542
  267   2HB   LYS  37          2HB       LYS  37 -12.005   2.509   0.028
  268   1HG   LYS  37          1HG       LYS  37 -13.220   0.434   0.415
  269   2HG   LYS  37          2HG       LYS  37 -12.215   0.041   1.795
  270   1HD   LYS  37          1HD       LYS  37 -14.414   0.877   2.521
  271   2HD   LYS  37          2HD       LYS  37 -13.142   1.945   3.060
  272   1HE   LYS  37          1HE       LYS  37 -14.769   2.468   0.535
  273   2HE   LYS  37          2HE       LYS  37 -15.216   3.101   2.111
  274   1HZ   LYS  37          1HZ       LYS  37 -12.571   3.742   1.812
  275   2HZ   LYS  37          2HZ       LYS  37 -13.261   4.039   0.290
  276   3HZ   LYS  37          3HZ       LYS  37 -13.899   4.789   1.674
  277    H    GLY  38           H        GLY  38 -10.239  -1.222   0.974
  278   1HA   GLY  38          1HA       GLY  38 -11.389  -3.258   0.500
  279   2HA   GLY  38          2HA       GLY  38 -11.873  -2.612  -1.063
  280    H    CYS  39           H        CYS  39  -9.264  -1.696  -1.891
  281    HA   CYS  39           HA       CYS  39  -8.202  -4.226  -2.843
  282   1HB   CYS  39          1HB       CYS  39  -6.908  -1.538  -3.040
  283   2HB   CYS  39          2HB       CYS  39  -6.681  -2.888  -4.085
  284    H    LYS  40           H        LYS  40  -6.279  -5.124  -2.296
  285    HA   LYS  40           HA       LYS  40  -5.028  -4.299   0.286
  286   1HB   LYS  40          1HB       LYS  40  -5.162  -6.976  -1.106
  287   2HB   LYS  40          2HB       LYS  40  -4.254  -6.684   0.368
  288   1HG   LYS  40          1HG       LYS  40  -6.364  -5.857   1.468
  289   2HG   LYS  40          2HG       LYS  40  -7.256  -6.237   0.006
  290   1HD   LYS  40          1HD       LYS  40  -6.620  -8.628   0.226
  291   2HD   LYS  40          2HD       LYS  40  -5.710  -8.255   1.681
  292   1HE   LYS  40          1HE       LYS  40  -7.795  -7.438   2.778
  293   2HE   LYS  40          2HE       LYS  40  -8.708  -7.821   1.323
  294   1HZ   LYS  40          1HZ       LYS  40  -8.066 -10.127   1.570
  295   2HZ   LYS  40          2HZ       LYS  40  -7.196  -9.753   2.980
  296   3HZ   LYS  40          3HZ       LYS  40  -8.884  -9.565   2.949
  297    H    TYR  41           H        TYR  41  -3.223  -3.267   0.204
  298    HA   TYR  41           HA       TYR  41  -1.334  -3.654  -2.004
  299   1HB   TYR  41          1HB       TYR  41  -1.719  -1.438   0.040
  300   2HB   TYR  41          2HB       TYR  41  -0.438  -1.479  -1.145
  301    HD1  TYR  41           HD1      TYR  41  -0.957  -1.159  -3.562
  302    HD2  TYR  41           HD2      TYR  41  -4.040  -1.144  -0.632
  303    HE1  TYR  41           HE1      TYR  41  -2.520  -0.232  -5.208
  304    HE2  TYR  41           HE2      TYR  41  -5.596  -0.210  -2.266
  305    HH   TYR  41           HH       TYR  41  -4.679   1.176  -5.108
  306    H    PHE  42           H        PHE  42   0.332  -4.805  -1.649
  307    HA   PHE  42           HA       PHE  42   1.472  -5.178   1.055
  308   1HB   PHE  42          1HB       PHE  42   2.234  -7.406  -0.507
  309   2HB   PHE  42          2HB       PHE  42   1.056  -7.354   0.771
  310    HD1  PHE  42           HD1      PHE  42   1.137  -6.439  -2.893
  311    HD2  PHE  42           HD2      PHE  42  -0.956  -8.216   0.366
  312    HE1  PHE  42           HE1      PHE  42  -0.706  -7.098  -4.398
  313    HE2  PHE  42           HE2      PHE  42  -2.777  -8.869  -1.145
  314    HZ   PHE  42           HZ       PHE  42  -2.632  -8.316  -3.524
  315    H    SER  43           H        SER  43   3.599  -5.747   1.202
  316    HA   SER  43           HA       SER  43   5.437  -4.117  -0.244
  317   1HB   SER  43          1HB       SER  43   5.833  -6.306   1.817
  318   2HB   SER  43          2HB       SER  43   6.986  -5.070   1.355
  319    HG   SER  43           HG       SER  43   6.055  -3.836   2.731
  320    H    ASP  44           H        ASP  44   7.593  -5.266  -0.595
  321    HA   ASP  44           HA       ASP  44   7.193  -7.233  -2.780
  322   1HB   ASP  44          1HB       ASP  44   8.766  -4.935  -2.606
  323   2HB   ASP  44          2HB       ASP  44   9.948  -6.195  -2.321
  324    H    ASP  45           H        ASP  45   8.794  -6.839   0.279
  325    HA   ASP  45           HA       ASP  45  10.328  -9.293   0.210
  326   1HB   ASP  45          1HB       ASP  45  10.804  -8.816   2.558
  327   2HB   ASP  45          2HB       ASP  45  10.857  -7.299   1.683
  328    H    GLY  46           H        GLY  46   7.055  -8.789   0.394
  329   1HA   GLY  46          1HA       GLY  46   5.378 -10.319   0.586
  330   2HA   GLY  46          2HA       GLY  46   6.519 -11.494   1.276
  331    H    THR  47           H        THR  47   5.024  -8.354   1.961
  332    HA   THR  47           HA       THR  47   4.215  -9.141   4.580
  333    HB   THR  47           HB       THR  47   6.134  -6.809   4.077
  334    HG1  THR  47           HG1      THR  47   7.283  -8.645   4.173
  335   1HG2  THR  47          1HG2      THR  47   5.036  -7.902   6.743
  336   2HG2  THR  47          2HG2      THR  47   6.159  -6.561   6.580
  337   3HG2  THR  47          3HG2      THR  47   4.503  -6.389   6.027
  338    H    PHE  48           H        PHE  48   2.116  -8.615   4.368
  339    HA   PHE  48           HA       PHE  48   1.055  -6.695   2.577
  340   1HB   PHE  48          1HB       PHE  48  -0.319  -8.490   3.536
  341   2HB   PHE  48          2HB       PHE  48  -0.097  -7.841   5.152
  342    HD1  PHE  48           HD1      PHE  48  -1.178  -6.449   1.783
  343    HD2  PHE  48           HD2      PHE  48  -1.934  -6.730   5.971
  344    HE1  PHE  48           HE1      PHE  48  -3.151  -5.023   1.538
  345    HE2  PHE  48           HE2      PHE  48  -3.906  -5.302   5.712
  346    HZ   PHE  48           HZ       PHE  48  -4.517  -4.448   3.504
  347    H    VAL  49           H        VAL  49   0.573  -4.571   2.702
  348    HA   VAL  49           HA       VAL  49   1.667  -3.114   5.072
  349    HB   VAL  49           HB       VAL  49   0.991  -1.983   2.324
  350   1HG1  VAL  49          1HG1      VAL  49   2.693  -0.917   4.625
  351   2HG1  VAL  49          2HG1      VAL  49   2.473  -0.121   3.079
  352   3HG1  VAL  49          3HG1      VAL  49   1.113  -0.303   4.168
  353   1HG2  VAL  49          1HG2      VAL  49   3.642  -2.971   3.436
  354   2HG2  VAL  49          2HG2      VAL  49   2.749  -3.714   2.125
  355   3HG2  VAL  49          3HG2      VAL  49   3.448  -2.122   1.910
  356    H    CYS  50           H        CYS  50  -1.079  -2.580   2.759
  357    HA   CYS  50           HA       CYS  50  -2.936  -2.347   4.998
  358   1HB   CYS  50          1HB       CYS  50  -3.183  -0.058   5.197
  359   2HB   CYS  50          2HB       CYS  50  -1.540  -0.011   4.623
  360    H    GLU  51           H        GLU  51  -5.126  -1.751   4.234
  361    HA   GLU  51           HA       GLU  51  -5.453  -2.834   1.500
  362   1HB   GLU  51          1HB       GLU  51  -6.793  -4.047   3.044
  363   2HB   GLU  51          2HB       GLU  51  -7.191  -2.626   3.979
  364   1HG   GLU  51          1HG       GLU  51  -8.923  -1.959   2.503
  365   2HG   GLU  51          2HG       GLU  51  -8.302  -2.916   1.168
  366    H    GLY  52           H        GLY  52  -4.378  -0.585   1.219
  367   1HA   GLY  52          1HA       GLY  52  -4.506   1.541   0.286
  368   2HA   GLY  52          2HA       GLY  52  -6.014   1.008  -0.392
  369    H    GLU  53           H        GLU  53  -7.538   2.267   0.008
  370    HA   GLU  53           HA       GLU  53  -9.259   3.308   1.180
  371   1HB   GLU  53          1HB       GLU  53  -8.397   2.661   3.482
  372   2HB   GLU  53          2HB       GLU  53  -7.186   3.929   3.387
  373   1HG   GLU  53          1HG       GLU  53  -9.211   4.577   4.725
  374   2HG   GLU  53          2HG       GLU  53  -8.822   5.694   3.441
  375    H    SER  54           H        SER  54  -8.840   4.301  -0.713
  376    HA   SER  54           HA       SER  54  -7.203   6.278  -1.551
  377   1HB   SER  54          1HB       SER  54  -9.259   7.367  -2.684
  378   2HB   SER  54          2HB       SER  54  -8.992   5.660  -3.014
  379    HG   SER  54           HG       SER  54 -10.423   5.187  -1.299
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -7.371  11.927   5.935
    2   2H    MET   1          2H        MET   1  -6.666  12.384   7.412
    3   3H    MET   1          3H        MET   1  -7.087  13.567   6.269
    4    HA   MET   1           HA       MET   1  -4.902  13.462   5.823
    5   1HB   MET   1          1HB       MET   1  -3.522  11.425   6.173
    6   2HB   MET   1          2HB       MET   1  -4.467  11.763   7.606
    7   1HG   MET   1          1HG       MET   1  -5.142   9.711   5.476
    8   2HG   MET   1          2HG       MET   1  -4.492   9.366   7.046
    9   1HE   MET   1          1HE       MET   1  -5.873  10.463   9.248
   10   2HE   MET   1          2HE       MET   1  -7.325   9.506   9.456
   11   3HE   MET   1          3HE       MET   1  -5.825   8.695   9.033
   12    H    LYS   2           H        LYS   2  -7.377  12.656   4.276
   13    HA   LYS   2           HA       LYS   2  -6.346  10.996   2.085
   14   1HB   LYS   2          1HB       LYS   2  -8.963  12.545   2.335
   15   2HB   LYS   2          2HB       LYS   2  -8.575  11.367   1.094
   16   1HG   LYS   2          1HG       LYS   2  -8.198   9.674   3.025
   17   2HG   LYS   2          2HG       LYS   2  -8.850  10.886   4.091
   18   1HD   LYS   2          1HD       LYS   2 -10.594   9.266   3.440
   19   2HD   LYS   2          2HD       LYS   2 -10.994  10.884   2.905
   20   1HE   LYS   2          1HE       LYS   2 -11.424   9.101   1.166
   21   2HE   LYS   2          2HE       LYS   2 -10.336  10.344   0.590
   22   1HZ   LYS   2          1HZ       LYS   2  -8.574   8.651   1.581
   23   2HZ   LYS   2          2HZ       LYS   2  -9.822   7.555   1.231
   24   3HZ   LYS   2          3HZ       LYS   2  -9.176   8.526   0.002
   25    H    ALA   3           H        ALA   3  -4.553  12.382   1.641
   26    HA   ALA   3           HA       ALA   3  -4.823  13.915  -0.636
   27   1HB   ALA   3          1HB       ALA   3  -4.252  15.531   1.935
   28   2HB   ALA   3          2HB       ALA   3  -4.144  16.202   0.315
   29   3HB   ALA   3          3HB       ALA   3  -5.699  15.720   0.960
   30    H    CYS   4           H        CYS   4  -3.459  11.914  -0.349
   31    HA   CYS   4           HA       CYS   4  -0.743  12.280   0.636
   32   1HB   CYS   4          1HB       CYS   4  -1.953  10.088  -1.051
   33   2HB   CYS   4          2HB       CYS   4  -0.458  10.000  -0.175
   34    H    THR   5           H        THR   5   1.110  11.812  -0.782
   35    HA   THR   5           HA       THR   5   1.161  13.589  -3.035
   36    HB   THR   5           HB       THR   5   3.313  11.555  -2.174
   37    HG1  THR   5           HG1      THR   5   2.462  14.078  -1.184
   38   1HG2  THR   5          1HG2      THR   5   3.669  13.050  -4.249
   39   2HG2  THR   5          2HG2      THR   5   3.419  14.435  -3.193
   40   3HG2  THR   5          3HG2      THR   5   4.794  13.364  -2.927
   41    H    LEU   6           H        LEU   6   0.247  10.407  -2.624
   42    HA   LEU   6           HA       LEU   6  -0.496   8.741  -4.021
   43   1HB   LEU   6          1HB       LEU   6   0.078  10.598  -6.377
   44   2HB   LEU   6          2HB       LEU   6  -1.036   9.255  -6.324
   45    HG   LEU   6           HG       LEU   6  -1.350  11.857  -4.760
   46   1HD1  LEU   6          1HD1      LEU   6  -2.898  10.744  -7.130
   47   2HD1  LEU   6          2HD1      LEU   6  -3.281  12.225  -6.268
   48   3HD1  LEU   6          3HD1      LEU   6  -1.785  12.101  -7.176
   49   1HD2  LEU   6          1HD2      LEU   6  -3.218   9.449  -4.921
   50   2HD2  LEU   6          2HD2      LEU   6  -2.309   9.942  -3.500
   51   3HD2  LEU   6          3HD2      LEU   6  -3.580  10.971  -4.123
   52    H    ASN   7           H        ASN   7   2.605   9.913  -4.084
   53    HA   ASN   7           HA       ASN   7   3.854   8.557  -6.134
   54   1HB   ASN   7          1HB       ASN   7   4.879   9.413  -3.406
   55   2HB   ASN   7          2HB       ASN   7   5.933   8.880  -4.702
   56   1HD2  ASN   7          1HD2      ASN   7   3.407  10.539  -6.213
   57   2HD2  ASN   7          2HD2      ASN   7   4.133  12.070  -6.280
   58    H    CYS   8           H        CYS   8   5.756   7.006  -5.447
   59    HA   CYS   8           HA       CYS   8   4.460   4.506  -4.558
   60   1HB   CYS   8          1HB       CYS   8   7.307   4.339  -5.185
   61   2HB   CYS   8          2HB       CYS   8   5.970   3.461  -5.844
   62    H    ASP   9           H        ASP   9   4.770   3.655  -2.564
   63    HA   ASP   9           HA       ASP   9   6.592   5.070  -0.708
   64   1HB   ASP   9          1HB       ASP   9   4.320   4.645   0.063
   65   2HB   ASP   9          2HB       ASP   9   4.468   2.947  -0.281
   66    HA   PRO  10           HA       PRO  10   9.757   2.287  -1.828
   67   1HB   PRO  10          1HB       PRO  10  11.195   2.314   0.661
   68   2HB   PRO  10          2HB       PRO  10  11.503   3.286  -0.769
   69   1HG   PRO  10          1HG       PRO  10  10.222   4.072   1.747
   70   2HG   PRO  10          2HG       PRO  10  10.842   5.095   0.460
   71   1HD   PRO  10          1HD       PRO  10   8.112   4.640   1.030
   72   2HD   PRO  10          2HD       PRO  10   8.747   5.352  -0.465
   73    H    ARG  11           H        ARG  11   8.225   1.752   1.210
   74    HA   ARG  11           HA       ARG  11   8.995  -1.030   1.495
   75   1HB   ARG  11          1HB       ARG  11   8.643   0.052   3.509
   76   2HB   ARG  11          2HB       ARG  11   7.313   1.001   2.947
   77   1HG   ARG  11          1HG       ARG  11   6.191  -1.541   2.873
   78   2HG   ARG  11          2HG       ARG  11   7.383  -1.742   4.141
   79   1HD   ARG  11          1HD       ARG  11   5.198  -0.960   5.015
   80   2HD   ARG  11          2HD       ARG  11   6.428   0.271   5.301
   81    HE   ARG  11           HE       ARG  11   5.233   0.772   2.771
   82   1HH1  ARG  11          1HH1      ARG  11   4.410   0.777   6.133
   83   2HH1  ARG  11          2HH1      ARG  11   3.201   2.003   5.951
   84   1HH2  ARG  11          1HH2      ARG  11   3.716   2.324   2.513
   85   2HH2  ARG  11          2HH2      ARG  11   2.797   2.892   3.868
   86    H    ILE  12           H        ILE  12   6.241   0.769   0.221
   87    HA   ILE  12           HA       ILE  12   4.550  -1.566  -0.145
   88    HB   ILE  12           HB       ILE  12   4.414   1.214  -1.371
   89   1HG1  ILE  12          1HG1      ILE  12   4.164   1.052   1.149
   90   2HG1  ILE  12          2HG1      ILE  12   2.787   1.763   0.346
   91   1HG2  ILE  12          1HG2      ILE  12   2.306  -0.981  -1.455
   92   2HG2  ILE  12          2HG2      ILE  12   2.041   0.687  -1.936
   93   3HG2  ILE  12          3HG2      ILE  12   3.174  -0.310  -2.822
   94   1HD1  ILE  12          1HD1      ILE  12   3.000  -1.101   1.288
   95   2HD1  ILE  12          2HD1      ILE  12   2.100   0.197   2.067
   96   3HD1  ILE  12          3HD1      ILE  12   1.595  -0.393   0.496
   97    H    ALA  13           H        ALA  13   4.183  -2.737  -1.889
   98    HA   ALA  13           HA       ALA  13   6.085  -2.487  -4.176
   99   1HB   ALA  13          1HB       ALA  13   4.527  -4.934  -3.211
  100   2HB   ALA  13          2HB       ALA  13   5.645  -4.903  -4.562
  101   3HB   ALA  13          3HB       ALA  13   6.236  -4.622  -2.942
  102    H    TYR  14           H        TYR  14   2.853  -3.768  -3.508
  103    HA   TYR  14           HA       TYR  14   1.572  -2.013  -5.437
  104   1HB   TYR  14          1HB       TYR  14   0.953  -3.811  -7.099
  105   2HB   TYR  14          2HB       TYR  14   2.686  -3.559  -7.019
  106    HD1  TYR  14           HD1      TYR  14  -0.045  -5.846  -5.988
  107    HD2  TYR  14           HD2      TYR  14   4.166  -5.270  -6.209
  108    HE1  TYR  14           HE1      TYR  14   0.309  -8.194  -5.450
  109    HE2  TYR  14           HE2      TYR  14   4.519  -7.622  -5.675
  110    HH   TYR  14           HH       TYR  14   3.341  -9.732  -5.779
  111    H    GLY  15           H        GLY  15  -0.671  -3.362  -6.040
  112   1HA   GLY  15          1HA       GLY  15  -1.705  -4.653  -3.617
  113   2HA   GLY  15          2HA       GLY  15  -2.464  -3.116  -4.033
  114    H    VAL  16           H        VAL  16  -3.699  -5.620  -3.854
  115    HA   VAL  16           HA       VAL  16  -4.890  -5.812  -6.574
  116    HB   VAL  16           HB       VAL  16  -3.654  -8.156  -5.050
  117   1HG1  VAL  16          1HG1      VAL  16  -5.546  -8.305  -7.422
  118   2HG1  VAL  16          2HG1      VAL  16  -4.674  -9.669  -6.750
  119   3HG1  VAL  16          3HG1      VAL  16  -5.908  -8.874  -5.800
  120   1HG2  VAL  16          1HG2      VAL  16  -3.264  -7.161  -7.898
  121   2HG2  VAL  16          2HG2      VAL  16  -2.116  -6.981  -6.582
  122   3HG2  VAL  16          3HG2      VAL  16  -2.485  -8.574  -7.202
  123    H    CYS  17           H        CYS  17  -7.007  -6.269  -6.564
  124    HA   CYS  17           HA       CYS  17  -8.391  -6.525  -3.940
  125   1HB   CYS  17          1HB       CYS  17 -10.078  -5.631  -6.145
  126   2HB   CYS  17          2HB       CYS  17  -9.734  -4.843  -4.631
  127    HA   PRO  18           HA       PRO  18 -10.637 -10.179  -5.128
  128   1HB   PRO  18          1HB       PRO  18 -13.312  -8.981  -4.980
  129   2HB   PRO  18          2HB       PRO  18 -12.572 -10.173  -3.925
  130   1HG   PRO  18          1HG       PRO  18 -13.056  -7.483  -3.283
  131   2HG   PRO  18          2HG       PRO  18 -12.015  -8.578  -2.387
  132   1HD   PRO  18          1HD       PRO  18 -11.267  -6.349  -4.159
  133   2HD   PRO  18          2HD       PRO  18 -10.268  -7.197  -2.965
  134    H    ARG  19           H        ARG  19 -12.207 -11.040  -6.722
  135    HA   ARG  19           HA       ARG  19 -12.726 -11.394  -8.938
  136   1HB   ARG  19          1HB       ARG  19 -13.394  -8.406  -9.000
  137   2HB   ARG  19          2HB       ARG  19 -14.155  -9.681  -9.937
  138   1HG   ARG  19          1HG       ARG  19 -15.024 -10.704  -7.836
  139   2HG   ARG  19          2HG       ARG  19 -14.285  -9.420  -6.901
  140   1HD   ARG  19          1HD       ARG  19 -15.688  -7.742  -8.143
  141   2HD   ARG  19          2HD       ARG  19 -16.484  -9.088  -8.955
  142    HE   ARG  19           HE       ARG  19 -17.562  -9.661  -6.949
  143   1HH1  ARG  19          1HH1      ARG  19 -15.115  -7.260  -6.403
  144   2HH1  ARG  19          2HH1      ARG  19 -15.637  -6.936  -4.786
  145   1HH2  ARG  19          1HH2      ARG  19 -18.231  -9.265  -4.901
  146   2HH2  ARG  19          2HH2      ARG  19 -17.422  -8.088  -3.920
  147    H    SER  20           H        SER  20 -10.076 -10.538  -8.288
  148    HA   SER  20           HA       SER  20  -8.944 -10.355 -10.926
  149   1HB   SER  20          1HB       SER  20  -7.768  -8.090 -10.526
  150   2HB   SER  20          2HB       SER  20  -9.515  -7.923 -10.713
  151    HG   SER  20           HG       SER  20  -7.954  -7.879  -8.379
  152    H    GLU  21           H        GLU  21  -7.674 -12.044 -10.401
  153    HA   GLU  21           HA       GLU  21  -6.310 -12.307  -7.906
  154   1HB   GLU  21          1HB       GLU  21  -5.921 -13.777 -10.544
  155   2HB   GLU  21          2HB       GLU  21  -5.207 -14.273  -9.020
  156   1HG   GLU  21          1HG       GLU  21  -7.494 -14.520  -8.032
  157   2HG   GLU  21          2HG       GLU  21  -8.206 -14.044  -9.565
  158    H    GLU  22           H        GLU  22  -5.545 -11.159 -11.075
  159    HA   GLU  22           HA       GLU  22  -3.800  -9.974 -11.984
  160   1HB   GLU  22          1HB       GLU  22  -4.221  -8.896  -9.436
  161   2HB   GLU  22          2HB       GLU  22  -2.513  -9.258  -9.384
  162   1HG   GLU  22          1HG       GLU  22  -2.811  -6.976 -10.205
  163   2HG   GLU  22          2HG       GLU  22  -2.204  -7.961 -11.522
  164    H    LYS  23           H        LYS  23  -1.407  -9.684 -12.024
  165    HA   LYS  23           HA       LYS  23  -0.168 -12.298 -12.019
  166   1HB   LYS  23          1HB       LYS  23   0.521  -9.543 -13.007
  167   2HB   LYS  23          2HB       LYS  23   1.872 -10.608 -12.693
  168   1HG   LYS  23          1HG       LYS  23   1.207 -10.843 -15.025
  169   2HG   LYS  23          2HG       LYS  23   0.869 -12.338 -14.176
  170   1HD   LYS  23          1HD       LYS  23  -1.536 -11.677 -13.964
  171   2HD   LYS  23          2HD       LYS  23  -1.193 -10.158 -14.772
  172   1HE   LYS  23          1HE       LYS  23  -2.137 -11.797 -16.365
  173   2HE   LYS  23          2HE       LYS  23  -0.474 -11.437 -16.806
  174   1HZ   LYS  23          1HZ       LYS  23  -1.156 -13.722 -15.069
  175   2HZ   LYS  23          2HZ       LYS  23  -1.175 -13.846 -16.763
  176   3HZ   LYS  23          3HZ       LYS  23   0.266 -13.450 -15.956
  177    H    LYS  24           H        LYS  24  -0.081  -9.412 -10.149
  178    HA   LYS  24           HA       LYS  24   1.150  -8.677  -8.319
  179   1HB   LYS  24          1HB       LYS  24   1.016 -10.820  -6.512
  180   2HB   LYS  24          2HB       LYS  24  -0.240  -9.661  -6.851
  181   1HG   LYS  24          1HG       LYS  24  -1.352 -11.148  -8.392
  182   2HG   LYS  24          2HG       LYS  24  -0.056 -12.323  -8.272
  183   1HD   LYS  24          1HD       LYS  24  -1.903 -13.060  -6.882
  184   2HD   LYS  24          2HD       LYS  24  -0.551 -12.645  -5.857
  185   1HE   LYS  24          1HE       LYS  24  -2.847 -10.721  -6.404
  186   2HE   LYS  24          2HE       LYS  24  -2.835 -11.823  -5.043
  187   1HZ   LYS  24          1HZ       LYS  24  -0.416 -10.562  -4.930
  188   2HZ   LYS  24          2HZ       LYS  24  -1.508  -9.337  -5.371
  189   3HZ   LYS  24          3HZ       LYS  24  -1.775 -10.244  -3.962
  190    H    ASN  25           H        ASN  25   2.880  -9.097 -10.062
  191    HA   ASN  25           HA       ASN  25   5.216 -10.095  -8.644
  192   1HB   ASN  25          1HB       ASN  25   3.958 -11.474 -10.986
  193   2HB   ASN  25          2HB       ASN  25   5.663 -11.158 -11.239
  194   1HD2  ASN  25          2HD2      ASN  25   3.364 -12.837  -9.137
  195   2HD2  ASN  25          1HD2      ASN  25   4.511 -13.865  -8.422
  196    H    ASP  26           H        ASP  26   4.376  -7.594  -9.041
  197    HA   ASP  26           HA       ASP  26   6.567  -6.376 -10.469
  198   1HB   ASP  26          1HB       ASP  26   4.141  -6.818 -11.953
  199   2HB   ASP  26          2HB       ASP  26   4.140  -5.112 -11.561
  200    H    ARG  27           H        ARG  27   7.147  -4.899  -9.149
  201    HA   ARG  27           HA       ARG  27   5.388  -3.782  -7.101
  202   1HB   ARG  27          1HB       ARG  27   7.596  -4.359  -6.410
  203   2HB   ARG  27          2HB       ARG  27   8.337  -3.569  -7.776
  204   1HG   ARG  27          1HG       ARG  27   6.809  -1.607  -6.210
  205   2HG   ARG  27          2HG       ARG  27   7.904  -2.472  -5.169
  206   1HD   ARG  27          1HD       ARG  27   8.752  -1.085  -7.752
  207   2HD   ARG  27          2HD       ARG  27   8.973  -0.434  -6.135
  208    HE   ARG  27           HE       ARG  27  10.568  -2.505  -7.382
  209   1HH1  ARG  27          1HH1      ARG  27   9.342  -1.353  -4.344
  210   2HH1  ARG  27          2HH1      ARG  27  10.620  -2.082  -3.431
  211   1HH2  ARG  27          1HH2      ARG  27  12.189  -3.425  -6.238
  212   2HH2  ARG  27          2HH2      ARG  27  12.250  -3.268  -4.514
  213    H    ILE  28           H        ILE  28   3.935  -2.727  -8.315
  214    HA   ILE  28           HA       ILE  28   4.456  -0.718 -10.257
  215    HB   ILE  28           HB       ILE  28   1.928  -0.589  -8.660
  216   1HG1  ILE  28          1HG1      ILE  28   2.402  -2.857 -10.696
  217   2HG1  ILE  28          2HG1      ILE  28   2.383  -3.181  -8.990
  218   1HG2  ILE  28          1HG2      ILE  28   2.262   0.794 -10.670
  219   2HG2  ILE  28          2HG2      ILE  28   2.555  -0.653 -11.620
  220   3HG2  ILE  28          3HG2      ILE  28   0.965  -0.342 -10.940
  221   1HD1  ILE  28          1HD1      ILE  28   0.073  -2.391  -8.789
  222   2HD1  ILE  28          2HD1      ILE  28   0.007  -2.135 -10.528
  223   3HD1  ILE  28          3HD1      ILE  28   0.240  -3.748  -9.887
  224    H    CYS  29           H        CYS  29   3.421   1.576  -9.715
  225    HA   CYS  29           HA       CYS  29   4.830   2.557  -7.284
  226   1HB   CYS  29          1HB       CYS  29   5.451   3.648  -9.384
  227   2HB   CYS  29          2HB       CYS  29   3.781   4.062  -9.694
  228    H    THR  30           H        THR  30   3.599   2.623  -5.598
  229    HA   THR  30           HA       THR  30   1.250   4.274  -5.427
  230    HB   THR  30           HB       THR  30   0.106   2.332  -6.511
  231    HG1  THR  30           HG1      THR  30  -0.643   3.414  -4.437
  232   1HG2  THR  30          1HG2      THR  30   1.206   0.654  -4.191
  233   2HG2  THR  30          2HG2      THR  30   0.144   0.089  -5.471
  234   3HG2  THR  30          3HG2      THR  30   1.796   0.544  -5.842
  235    H    ASN  31           H        ASN  31   0.234   4.033  -3.232
  236    HA   ASN  31           HA       ASN  31   1.989   2.917  -1.151
  237   1HB   ASN  31          1HB       ASN  31   2.163   5.165   0.015
  238   2HB   ASN  31          2HB       ASN  31   3.016   5.097  -1.517
  239   1HD2  ASN  31          2HD2      ASN  31   2.877   7.500  -1.415
  240   2HD2  ASN  31          1HD2      ASN  31   1.460   8.263  -1.953
  241    H    CYS  32           H        CYS  32   1.002   2.608   0.815
  242    HA   CYS  32           HA       CYS  32  -1.774   2.128   0.818
  243   1HB   CYS  32          1HB       CYS  32  -0.463   0.980   2.472
  244   2HB   CYS  32          2HB       CYS  32   0.267   2.458   3.047
  245    H    CYS  33           H        CYS  33  -0.040   4.995   1.663
  246    HA   CYS  33           HA       CYS  33  -1.969   6.414   3.150
  247   1HB   CYS  33          1HB       CYS  33   0.377   7.163   2.667
  248   2HB   CYS  33          2HB       CYS  33  -0.094   7.523   1.029
  249    H    ALA  34           H        ALA  34  -1.484   6.230  -0.336
  250    HA   ALA  34           HA       ALA  34  -4.035   7.630  -0.872
  251   1HB   ALA  34          1HB       ALA  34  -2.016   8.167  -2.243
  252   2HB   ALA  34          2HB       ALA  34  -1.967   6.513  -2.820
  253   3HB   ALA  34          3HB       ALA  34  -3.321   7.536  -3.236
  254    H    GLY  35           H        GLY  35  -2.591   4.786  -2.370
  255   1HA   GLY  35          1HA       GLY  35  -3.631   2.940  -3.385
  256   2HA   GLY  35          2HA       GLY  35  -4.014   2.635  -1.707
  257    H    THR  36           H        THR  36  -5.903   1.595  -2.150
  258    HA   THR  36           HA       THR  36  -8.225   3.267  -2.832
  259    HB   THR  36           HB       THR  36  -8.117   0.481  -3.903
  260    HG1  THR  36           HG1      THR  36  -6.939   2.852  -4.931
  261   1HG2  THR  36          1HG2      THR  36  -9.368   3.027  -5.060
  262   2HG2  THR  36          2HG2      THR  36  -9.547   1.412  -5.720
  263   3HG2  THR  36          3HG2      THR  36 -10.275   1.804  -4.181
  264    H    LYS  37           H        LYS  37 -10.223   1.748  -2.421
  265    HA   LYS  37           HA       LYS  37  -9.794   0.377   0.215
  266   1HB   LYS  37          1HB       LYS  37 -12.579   1.063  -0.667
  267   2HB   LYS  37          2HB       LYS  37 -11.871   1.159   0.932
  268   1HG   LYS  37          1HG       LYS  37 -10.583   3.206   0.178
  269   2HG   LYS  37          2HG       LYS  37 -11.432   3.091  -1.352
  270   1HD   LYS  37          1HD       LYS  37 -12.834   3.437   1.323
  271   2HD   LYS  37          2HD       LYS  37 -12.447   4.760   0.243
  272   1HE   LYS  37          1HE       LYS  37 -13.846   3.703  -1.545
  273   2HE   LYS  37          2HE       LYS  37 -14.269   2.405  -0.435
  274   1HZ   LYS  37          1HZ       LYS  37 -15.232   4.026   1.051
  275   2HZ   LYS  37          2HZ       LYS  37 -14.836   5.278  -0.026
  276   3HZ   LYS  37          3HZ       LYS  37 -15.960   4.087  -0.482
  277    H    GLY  38           H        GLY  38 -10.441  -1.700   0.416
  278   1HA   GLY  38          1HA       GLY  38 -11.616  -3.702  -0.190
  279   2HA   GLY  38          2HA       GLY  38 -11.877  -3.041  -1.808
  280    H    CYS  39           H        CYS  39  -9.273  -2.149  -2.373
  281    HA   CYS  39           HA       CYS  39  -7.975  -4.675  -3.040
  282   1HB   CYS  39          1HB       CYS  39  -6.925  -1.879  -3.411
  283   2HB   CYS  39          2HB       CYS  39  -6.470  -3.302  -4.288
  284    H    LYS  40           H        LYS  40  -6.105  -5.336  -2.280
  285    HA   LYS  40           HA       LYS  40  -5.158  -4.274   0.342
  286   1HB   LYS  40          1HB       LYS  40  -4.986  -7.043  -0.876
  287   2HB   LYS  40          2HB       LYS  40  -4.230  -6.583   0.636
  288   1HG   LYS  40          1HG       LYS  40  -6.469  -5.942   1.555
  289   2HG   LYS  40          2HG       LYS  40  -7.219  -6.335   0.024
  290   1HD   LYS  40          1HD       LYS  40  -7.640  -8.203   1.449
  291   2HD   LYS  40          2HD       LYS  40  -6.406  -8.731   0.330
  292   1HE   LYS  40          1HE       LYS  40  -5.814  -7.720   3.147
  293   2HE   LYS  40          2HE       LYS  40  -5.977  -9.415   2.727
  294   1HZ   LYS  40          1HZ       LYS  40  -4.190  -8.597   0.923
  295   2HZ   LYS  40          2HZ       LYS  40  -3.800  -7.601   2.243
  296   3HZ   LYS  40          3HZ       LYS  40  -3.798  -9.289   2.424
  297    H    TYR  41           H        TYR  41  -3.350  -3.148   0.294
  298    HA   TYR  41           HA       TYR  41  -1.399  -3.514  -1.844
  299   1HB   TYR  41          1HB       TYR  41  -1.826  -1.353   0.252
  300   2HB   TYR  41          2HB       TYR  41  -0.490  -1.373  -0.864
  301    HD1  TYR  41           HD1      TYR  41  -4.219  -1.428  -0.732
  302    HD2  TYR  41           HD2      TYR  41  -0.778  -0.547  -3.083
  303    HE1  TYR  41           HE1      TYR  41  -5.646  -0.409  -2.434
  304    HE2  TYR  41           HE2      TYR  41  -2.214   0.468  -4.789
  305    HH   TYR  41           HH       TYR  41  -5.083   1.537  -4.370
  306    H    PHE  42           H        PHE  42   0.221  -4.734  -1.541
  307    HA   PHE  42           HA       PHE  42   1.379  -5.252   1.117
  308   1HB   PHE  42          1HB       PHE  42   2.208  -7.173  -0.914
  309   2HB   PHE  42          2HB       PHE  42   1.346  -7.428   0.576
  310    HD1  PHE  42           HD1      PHE  42   0.794  -6.500  -3.000
  311    HD2  PHE  42           HD2      PHE  42  -0.910  -8.020   0.595
  312    HE1  PHE  42           HE1      PHE  42  -1.260  -7.107  -4.217
  313    HE2  PHE  42           HE2      PHE  42  -2.953  -8.623  -0.622
  314    HZ   PHE  42           HZ       PHE  42  -3.130  -8.169  -3.024
  315    H    SER  43           H        SER  43   3.523  -5.450   1.355
  316    HA   SER  43           HA       SER  43   5.166  -3.610  -0.036
  317   1HB   SER  43          1HB       SER  43   5.679  -5.649   2.150
  318   2HB   SER  43          2HB       SER  43   6.825  -4.440   1.651
  319    HG   SER  43           HG       SER  43   5.085  -2.886   1.966
  320    H    ASP  44           H        ASP  44   7.479  -4.362  -0.165
  321    HA   ASP  44           HA       ASP  44   7.698  -6.178  -2.471
  322   1HB   ASP  44          1HB       ASP  44   8.979  -3.793  -1.743
  323   2HB   ASP  44          2HB       ASP  44  10.198  -4.984  -1.343
  324    H    ASP  45           H        ASP  45   8.422  -6.038   0.868
  325    HA   ASP  45           HA       ASP  45  10.238  -8.280   1.029
  326   1HB   ASP  45          1HB       ASP  45  10.182  -6.513   2.755
  327   2HB   ASP  45          2HB       ASP  45   8.504  -6.869   3.112
  328    H    GLY  46           H        GLY  46   7.016  -8.140   0.245
  329   1HA   GLY  46          1HA       GLY  46   5.446  -9.751  -0.081
  330   2HA   GLY  46          2HA       GLY  46   6.619 -10.964   0.481
  331    H    THR  47           H        THR  47   4.905  -8.144   1.753
  332    HA   THR  47           HA       THR  47   3.669  -9.613   3.859
  333    HB   THR  47           HB       THR  47   5.708  -7.381   4.358
  334    HG1  THR  47           HG1      THR  47   6.897  -8.994   5.159
  335   1HG2  THR  47          1HG2      THR  47   4.058  -9.004   6.404
  336   2HG2  THR  47          2HG2      THR  47   5.243  -7.771   6.803
  337   3HG2  THR  47          3HG2      THR  47   3.733  -7.318   6.034
  338    H    PHE  48           H        PHE  48   1.694  -8.931   3.852
  339    HA   PHE  48           HA       PHE  48   0.696  -6.726   2.399
  340   1HB   PHE  48          1HB       PHE  48  -0.699  -8.649   2.932
  341   2HB   PHE  48          2HB       PHE  48  -0.531  -8.351   4.652
  342    HD1  PHE  48           HD1      PHE  48  -1.326  -6.047   1.771
  343    HD2  PHE  48           HD2      PHE  48  -2.613  -7.690   5.491
  344    HE1  PHE  48           HE1      PHE  48  -3.303  -4.617   1.733
  345    HE2  PHE  48           HE2      PHE  48  -4.593  -6.248   5.436
  346    HZ   PHE  48           HZ       PHE  48  -4.940  -4.708   3.552
  347    H    VAL  49           H        VAL  49   0.351  -4.656   2.834
  348    HA   VAL  49           HA       VAL  49   1.101  -3.640   5.546
  349    HB   VAL  49           HB       VAL  49   0.900  -2.147   2.890
  350   1HG1  VAL  49          1HG1      VAL  49   1.918  -1.220   5.626
  351   2HG1  VAL  49          2HG1      VAL  49   1.984  -0.279   4.149
  352   3HG1  VAL  49          3HG1      VAL  49   0.436  -0.664   4.867
  353   1HG2  VAL  49          1HG2      VAL  49   3.282  -3.052   4.554
  354   2HG2  VAL  49          2HG2      VAL  49   2.780  -3.734   3.013
  355   3HG2  VAL  49          3HG2      VAL  49   3.373  -2.082   3.096
  356    H    CYS  50           H        CYS  50  -1.288  -2.669   2.975
  357    HA   CYS  50           HA       CYS  50  -3.430  -2.777   4.958
  358   1HB   CYS  50          1HB       CYS  50  -3.715  -0.594   5.552
  359   2HB   CYS  50          2HB       CYS  50  -2.008  -0.481   5.252
  360    H    GLU  51           H        GLU  51  -5.492  -1.877   4.055
  361    HA   GLU  51           HA       GLU  51  -5.519  -2.486   1.157
  362   1HB   GLU  51          1HB       GLU  51  -8.227  -2.065   2.017
  363   2HB   GLU  51          2HB       GLU  51  -7.435  -3.585   1.714
  364   1HG   GLU  51          1HG       GLU  51  -6.703  -3.697   4.102
  365   2HG   GLU  51          2HG       GLU  51  -7.531  -2.178   4.405
  366    H    GLY  52           H        GLY  52  -4.360  -0.521   0.970
  367   1HA   GLY  52          1HA       GLY  52  -4.062   1.749   0.562
  368   2HA   GLY  52          2HA       GLY  52  -5.358   1.407  -0.547
  369    H    GLU  53           H        GLU  53  -6.419   3.324  -0.535
  370    HA   GLU  53           HA       GLU  53  -8.231   3.971   1.547
  371   1HB   GLU  53          1HB       GLU  53  -6.026   4.712   2.691
  372   2HB   GLU  53          2HB       GLU  53  -5.823   5.854   1.390
  373   1HG   GLU  53          1HG       GLU  53  -8.251   6.704   2.165
  374   2HG   GLU  53          2HG       GLU  53  -7.862   5.819   3.620
  375    H    SER  54           H        SER  54  -8.827   3.747  -1.081
  376    HA   SER  54           HA       SER  54  -8.485   5.779  -2.903
  377   1HB   SER  54          1HB       SER  54 -10.149   3.775  -3.167
  378   2HB   SER  54          2HB       SER  54 -11.325   4.812  -2.367
  379    HG   SER  54           HG       SER  54  -9.802   5.496  -4.639
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -10.597  13.936  -9.469
    2   2H    MET   1          2H        MET   1 -10.081  15.537  -9.702
    3   3H    MET   1          3H        MET   1  -9.150  14.249 -10.297
    4    HA   MET   1           HA       MET   1  -7.961  14.553  -8.456
    5   1HB   MET   1          1HB       MET   1  -8.844  15.701  -6.432
    6   2HB   MET   1          2HB       MET   1  -9.189  16.627  -7.872
    7   1HG   MET   1          1HG       MET   1 -11.154  14.833  -6.413
    8   2HG   MET   1          2HG       MET   1 -11.103  16.564  -6.340
    9   1HE   MET   1          1HE       MET   1 -11.996  13.479  -7.939
   10   2HE   MET   1          2HE       MET   1 -13.666  14.042  -7.863
   11   3HE   MET   1          3HE       MET   1 -12.844  13.830  -9.421
   12    H    LYS   2           H        LYS   2  -9.918  12.366  -9.191
   13    HA   LYS   2           HA       LYS   2 -10.765  11.006  -6.818
   14   1HB   LYS   2          1HB       LYS   2 -10.080   9.870  -9.567
   15   2HB   LYS   2          2HB       LYS   2 -10.984   9.023  -8.323
   16   1HG   LYS   2          1HG       LYS   2 -12.732  10.808  -8.388
   17   2HG   LYS   2          2HG       LYS   2 -11.832  11.637  -9.648
   18   1HD   LYS   2          1HD       LYS   2 -12.051   9.642 -11.126
   19   2HD   LYS   2          2HD       LYS   2 -12.970   8.821  -9.874
   20   1HE   LYS   2          1HE       LYS   2 -14.707  10.602  -9.970
   21   2HE   LYS   2          2HE       LYS   2 -13.785  11.437 -11.215
   22   1HZ   LYS   2          1HZ       LYS   2 -14.009   9.501 -12.628
   23   2HZ   LYS   2          2HZ       LYS   2 -14.906   8.704 -11.427
   24   3HZ   LYS   2          3HZ       LYS   2 -15.528  10.102 -12.164
   25    H    ALA   3           H        ALA   3  -9.659   9.885  -5.398
   26    HA   ALA   3           HA       ALA   3  -7.940   8.819  -4.256
   27   1HB   ALA   3          1HB       ALA   3  -8.189   7.133  -6.063
   28   2HB   ALA   3          2HB       ALA   3  -7.054   8.009  -7.072
   29   3HB   ALA   3          3HB       ALA   3  -6.506   7.272  -5.581
   30    H    CYS   4           H        CYS   4  -5.523   8.586  -4.116
   31    HA   CYS   4           HA       CYS   4  -4.322  11.217  -4.049
   32   1HB   CYS   4          1HB       CYS   4  -2.933   8.562  -3.683
   33   2HB   CYS   4          2HB       CYS   4  -2.511  10.103  -3.010
   34    H    THR   5           H        THR   5  -1.708  10.786  -4.722
   35    HA   THR   5           HA       THR   5  -1.702  11.182  -7.564
   36    HB   THR   5           HB       THR   5   0.669  10.834  -5.607
   37    HG1  THR   5           HG1      THR   5  -0.871  12.343  -4.902
   38   1HG2  THR   5          1HG2      THR   5   0.241  12.582  -8.082
   39   2HG2  THR   5          2HG2      THR   5   1.724  12.440  -7.142
   40   3HG2  THR   5          3HG2      THR   5   1.172  11.089  -8.127
   41    H    LEU   6           H        LEU   6   1.054   9.461  -7.117
   42    HA   LEU   6           HA       LEU   6   0.043   6.756  -7.382
   43   1HB   LEU   6          1HB       LEU   6   0.991   6.511  -9.788
   44   2HB   LEU   6          2HB       LEU   6  -0.566   7.266  -9.570
   45    HG   LEU   6           HG       LEU   6   0.483   9.484  -9.665
   46   1HD1  LEU   6          1HD1      LEU   6   3.053   7.997 -10.374
   47   2HD1  LEU   6          2HD1      LEU   6   2.821   9.729 -10.541
   48   3HD1  LEU   6          3HD1      LEU   6   2.799   9.003  -8.954
   49   1HD2  LEU   6          1HD2      LEU   6  -0.458   8.491 -11.717
   50   2HD2  LEU   6          2HD2      LEU   6   0.954   9.446 -12.133
   51   3HD2  LEU   6          3HD2      LEU   6   1.069   7.694 -12.063
   52    H    ASN   7           H        ASN   7   2.491   8.691  -6.446
   53    HA   ASN   7           HA       ASN   7   4.819   7.492  -7.286
   54   1HB   ASN   7          1HB       ASN   7   4.259   8.722  -4.568
   55   2HB   ASN   7          2HB       ASN   7   5.848   8.493  -5.270
   56   1HD2  ASN   7          2HD2      ASN   7   2.743  10.190  -5.887
   57   2HD2  ASN   7          1HD2      ASN   7   3.441  11.465  -6.763
   58    H    CYS   8           H        CYS   8   6.178   6.062  -6.258
   59    HA   CYS   8           HA       CYS   8   4.799   3.789  -4.985
   60   1HB   CYS   8          1HB       CYS   8   7.572   3.231  -5.189
   61   2HB   CYS   8          2HB       CYS   8   6.258   2.568  -6.095
   62    H    ASP   9           H        ASP   9   4.790   3.386  -2.925
   63    HA   ASP   9           HA       ASP   9   6.422   5.014  -1.077
   64   1HB   ASP   9          1HB       ASP   9   4.006   4.661  -0.570
   65   2HB   ASP   9          2HB       ASP   9   4.265   2.940  -0.556
   66    HA   PRO  10           HA       PRO  10   9.620   1.999  -1.008
   67   1HB   PRO  10          1HB       PRO  10  10.349   2.347   1.763
   68   2HB   PRO  10          2HB       PRO  10  11.132   3.019   0.341
   69   1HG   PRO  10          1HG       PRO  10   9.356   4.338   2.250
   70   2HG   PRO  10          2HG       PRO  10  10.364   5.064   1.007
   71   1HD   PRO  10          1HD       PRO  10   7.550   4.863   0.948
   72   2HD   PRO  10          2HD       PRO  10   8.576   5.263  -0.438
   73    H    ARG  11           H        ARG  11   7.340   1.938   1.582
   74    HA   ARG  11           HA       ARG  11   7.866  -0.833   2.351
   75   1HB   ARG  11          1HB       ARG  11   5.413   0.833   3.022
   76   2HB   ARG  11          2HB       ARG  11   6.013  -0.567   3.882
   77   1HG   ARG  11          1HG       ARG  11   8.065   0.638   4.539
   78   2HG   ARG  11          2HG       ARG  11   7.561   2.055   3.634
   79   1HD   ARG  11          1HD       ARG  11   6.060   0.859   5.994
   80   2HD   ARG  11          2HD       ARG  11   7.001   2.341   6.032
   81    HE   ARG  11           HE       ARG  11   4.360   1.970   4.804
   82   1HH1  ARG  11          1HH1      ARG  11   7.198   3.955   5.028
   83   2HH1  ARG  11          2HH1      ARG  11   6.378   5.368   4.459
   84   1HH2  ARG  11          1HH2      ARG  11   3.318   3.735   4.093
   85   2HH2  ARG  11          2HH2      ARG  11   4.150   5.244   3.918
   86    H    ILE  12           H        ILE  12   5.746   0.852   0.175
   87    HA   ILE  12           HA       ILE  12   4.053  -1.511  -0.321
   88    HB   ILE  12           HB       ILE  12   4.114   1.203  -1.687
   89   1HG1  ILE  12          1HG1      ILE  12   3.546   1.395   0.727
   90   2HG1  ILE  12          2HG1      ILE  12   2.182   1.803  -0.286
   91   1HG2  ILE  12          1HG2      ILE  12   1.996  -0.984  -1.838
   92   2HG2  ILE  12          2HG2      ILE  12   1.834   0.636  -2.502
   93   3HG2  ILE  12          3HG2      ILE  12   3.042  -0.455  -3.141
   94   1HD1  ILE  12          1HD1      ILE  12   1.232  -0.440   0.108
   95   2HD1  ILE  12          2HD1      ILE  12   2.606  -0.840   1.129
   96   3HD1  ILE  12          3HD1      ILE  12   1.491   0.431   1.607
   97    H    ALA  13           H        ALA  13   3.969  -2.648  -2.112
   98    HA   ALA  13           HA       ALA  13   6.181  -2.393  -4.122
   99   1HB   ALA  13          1HB       ALA  13   4.854  -4.907  -3.060
  100   2HB   ALA  13          2HB       ALA  13   6.131  -4.869  -4.260
  101   3HB   ALA  13          3HB       ALA  13   6.452  -4.303  -2.632
  102    H    TYR  14           H        TYR  14   2.996  -3.744  -3.516
  103    HA   TYR  14           HA       TYR  14   1.855  -2.601  -5.956
  104   1HB   TYR  14          1HB       TYR  14   1.305  -4.927  -6.952
  105   2HB   TYR  14          2HB       TYR  14   2.966  -4.395  -7.095
  106    HD1  TYR  14           HD1      TYR  14   4.736  -5.453  -5.752
  107    HD2  TYR  14           HD2      TYR  14   0.712  -6.766  -5.477
  108    HE1  TYR  14           HE1      TYR  14   5.484  -7.467  -4.592
  109    HE2  TYR  14           HE2      TYR  14   1.448  -8.791  -4.311
  110    HH   TYR  14           HH       TYR  14   3.466 -10.156  -4.090
  111    H    GLY  15           H        GLY  15  -0.406  -3.917  -6.279
  112   1HA   GLY  15          1HA       GLY  15  -1.546  -4.771  -3.728
  113   2HA   GLY  15          2HA       GLY  15  -2.133  -3.213  -4.283
  114    H    VAL  16           H        VAL  16  -3.675  -5.466  -3.803
  115    HA   VAL  16           HA       VAL  16  -4.727  -6.142  -6.532
  116    HB   VAL  16           HB       VAL  16  -4.589  -7.811  -3.992
  117   1HG1  VAL  16          1HG1      VAL  16  -6.216  -8.447  -6.494
  118   2HG1  VAL  16          2HG1      VAL  16  -5.953  -9.533  -5.135
  119   3HG1  VAL  16          3HG1      VAL  16  -6.893  -8.077  -4.917
  120   1HG2  VAL  16          1HG2      VAL  16  -3.700  -8.300  -6.868
  121   2HG2  VAL  16          2HG2      VAL  16  -2.632  -7.898  -5.540
  122   3HG2  VAL  16          3HG2      VAL  16  -3.489  -9.430  -5.540
  123    H    CYS  17           H        CYS  17  -6.537  -5.161  -6.927
  124    HA   CYS  17           HA       CYS  17  -8.402  -4.424  -4.712
  125   1HB   CYS  17          1HB       CYS  17  -8.052  -3.276  -7.487
  126   2HB   CYS  17          2HB       CYS  17  -9.213  -2.691  -6.342
  127    HA   PRO  18           HA       PRO  18 -11.671  -6.601  -7.114
  128   1HB   PRO  18          1HB       PRO  18 -13.544  -4.393  -6.968
  129   2HB   PRO  18          2HB       PRO  18 -13.599  -5.927  -6.118
  130   1HG   PRO  18          1HG       PRO  18 -13.021  -3.369  -5.003
  131   2HG   PRO  18          2HG       PRO  18 -12.935  -4.919  -4.184
  132   1HD   PRO  18          1HD       PRO  18 -10.739  -3.224  -5.123
  133   2HD   PRO  18          2HD       PRO  18 -10.654  -4.646  -4.070
  134    H    ARG  19           H        ARG  19 -12.856  -6.209  -9.131
  135    HA   ARG  19           HA       ARG  19 -12.642  -5.824 -11.422
  136   1HB   ARG  19          1HB       ARG  19 -12.633  -2.892 -11.280
  137   2HB   ARG  19          2HB       ARG  19 -13.891  -3.988 -11.785
  138   1HG   ARG  19          1HG       ARG  19 -14.631  -4.253  -9.444
  139   2HG   ARG  19          2HG       ARG  19 -13.305  -3.232  -8.894
  140   1HD   ARG  19          1HD       ARG  19 -15.261  -1.887  -9.055
  141   2HD   ARG  19          2HD       ARG  19 -14.100  -1.418 -10.311
  142    HE   ARG  19           HE       ARG  19 -15.993  -3.398 -11.272
  143   1HH1  ARG  19          1HH1      ARG  19 -15.551  -0.021 -10.626
  144   2HH1  ARG  19          2HH1      ARG  19 -16.725   0.471 -11.799
  145   1HH2  ARG  19          1HH2      ARG  19 -17.482  -2.797 -12.758
  146   2HH2  ARG  19          2HH2      ARG  19 -17.836  -1.122 -13.024
  147    H    SER  20           H        SER  20 -10.357  -6.436 -10.684
  148    HA   SER  20           HA       SER  20  -8.492  -5.061 -12.478
  149   1HB   SER  20          1HB       SER  20  -6.704  -4.886 -10.639
  150   2HB   SER  20          2HB       SER  20  -8.086  -3.823 -10.337
  151    HG   SER  20           HG       SER  20  -7.396  -6.253  -9.143
  152    H    GLU  21           H        GLU  21  -8.356  -6.797 -13.658
  153    HA   GLU  21           HA       GLU  21  -8.131  -9.477 -12.768
  154   1HB   GLU  21          1HB       GLU  21  -9.131  -8.671 -14.965
  155   2HB   GLU  21          2HB       GLU  21  -7.517  -8.297 -15.515
  156   1HG   GLU  21          1HG       GLU  21  -8.460 -11.085 -14.692
  157   2HG   GLU  21          2HG       GLU  21  -8.393 -10.520 -16.347
  158    H    GLU  22           H        GLU  22  -6.475 -10.662 -12.685
  159    HA   GLU  22           HA       GLU  22  -4.296 -11.511 -12.508
  160   1HB   GLU  22          1HB       GLU  22  -3.913  -9.548 -14.552
  161   2HB   GLU  22          2HB       GLU  22  -2.794  -9.038 -13.313
  162   1HG   GLU  22          1HG       GLU  22  -1.606 -10.566 -14.759
  163   2HG   GLU  22          2HG       GLU  22  -1.908 -11.425 -13.259
  164    H    LYS  23           H        LYS  23  -4.008 -11.650 -10.448
  165    HA   LYS  23           HA       LYS  23  -4.200  -9.478  -8.585
  166   1HB   LYS  23          1HB       LYS  23  -3.656 -12.443  -8.532
  167   2HB   LYS  23          2HB       LYS  23  -3.189 -11.526  -7.123
  168   1HG   LYS  23          1HG       LYS  23  -5.405 -12.345  -6.723
  169   2HG   LYS  23          2HG       LYS  23  -5.480 -10.611  -6.909
  170   1HD   LYS  23          1HD       LYS  23  -5.931 -12.322  -9.360
  171   2HD   LYS  23          2HD       LYS  23  -7.209 -12.232  -8.171
  172   1HE   LYS  23          1HE       LYS  23  -7.360  -9.803  -8.416
  173   2HE   LYS  23          2HE       LYS  23  -5.995  -9.751  -9.507
  174   1HZ   LYS  23          1HZ       LYS  23  -8.060 -11.581 -10.302
  175   2HZ   LYS  23          2HZ       LYS  23  -8.534  -9.949 -10.261
  176   3HZ   LYS  23          3HZ       LYS  23  -7.205 -10.423 -11.205
  177    H    LYS  24           H        LYS  24  -1.486 -11.469  -7.861
  178    HA   LYS  24           HA       LYS  24   0.297  -9.103  -8.092
  179   1HB   LYS  24          1HB       LYS  24   1.872 -11.087  -6.943
  180   2HB   LYS  24          2HB       LYS  24   0.955  -9.905  -6.062
  181   1HG   LYS  24          1HG       LYS  24  -0.288 -12.563  -6.792
  182   2HG   LYS  24          2HG       LYS  24   0.725 -12.389  -5.375
  183   1HD   LYS  24          1HD       LYS  24  -0.718 -10.604  -4.484
  184   2HD   LYS  24          2HD       LYS  24  -1.749 -10.669  -5.889
  185   1HE   LYS  24          1HE       LYS  24  -1.295 -12.946  -3.908
  186   2HE   LYS  24          2HE       LYS  24  -2.736 -11.946  -4.007
  187   1HZ   LYS  24          1HZ       LYS  24  -2.100 -13.088  -6.529
  188   2HZ   LYS  24          2HZ       LYS  24  -2.271 -14.285  -5.338
  189   3HZ   LYS  24          3HZ       LYS  24  -3.532 -13.185  -5.626
  190    H    ASN  25           H        ASN  25   0.720  -9.021 -10.194
  191    HA   ASN  25           HA       ASN  25   2.510 -11.055 -11.303
  192   1HB   ASN  25          1HB       ASN  25  -0.275 -10.518 -12.196
  193   2HB   ASN  25          2HB       ASN  25   0.863 -10.432 -13.526
  194   1HD2  ASN  25          2HD2      ASN  25  -0.381 -12.574 -10.982
  195   2HD2  ASN  25          1HD2      ASN  25   0.131 -14.016 -11.714
  196    H    ASP  26           H        ASP  26   2.351  -8.163 -10.408
  197    HA   ASP  26           HA       ASP  26   4.385  -7.126 -12.135
  198   1HB   ASP  26          1HB       ASP  26   1.549  -6.435 -12.779
  199   2HB   ASP  26          2HB       ASP  26   2.564  -5.023 -12.582
  200    H    ARG  27           H        ARG  27   5.586  -6.097 -10.744
  201    HA   ARG  27           HA       ARG  27   4.470  -4.998  -8.249
  202   1HB   ARG  27          1HB       ARG  27   6.506  -6.242  -8.022
  203   2HB   ARG  27          2HB       ARG  27   7.284  -5.390  -9.341
  204   1HG   ARG  27          1HG       ARG  27   7.403  -3.312  -8.001
  205   2HG   ARG  27          2HG       ARG  27   6.465  -4.057  -6.723
  206   1HD   ARG  27          1HD       ARG  27   9.162  -5.135  -7.646
  207   2HD   ARG  27          2HD       ARG  27   8.974  -3.967  -6.356
  208    HE   ARG  27           HE       ARG  27   7.881  -5.613  -5.005
  209   1HH1  ARG  27          1HH1      ARG  27   8.841  -6.864  -8.106
  210   2HH1  ARG  27          2HH1      ARG  27   8.679  -8.509  -7.596
  211   1HH2  ARG  27          1HH2      ARG  27   7.675  -7.672  -4.366
  212   2HH2  ARG  27          2HH2      ARG  27   8.003  -8.976  -5.457
  213    H    ILE  28           H        ILE  28   3.210  -3.382  -9.203
  214    HA   ILE  28           HA       ILE  28   4.173  -1.325 -10.900
  215    HB   ILE  28           HB       ILE  28   1.856  -0.730  -9.135
  216   1HG1  ILE  28          1HG1      ILE  28   0.460  -2.252 -10.942
  217   2HG1  ILE  28          2HG1      ILE  28   1.925  -3.204 -10.902
  218   1HG2  ILE  28          1HG2      ILE  28   2.252  -0.628 -12.103
  219   2HG2  ILE  28          2HG2      ILE  28   0.818  -0.073 -11.240
  220   3HG2  ILE  28          3HG2      ILE  28   2.355   0.726 -10.979
  221   1HD1  ILE  28          1HD1      ILE  28   1.697  -3.353  -8.405
  222   2HD1  ILE  28          2HD1      ILE  28   0.214  -2.437  -8.497
  223   3HD1  ILE  28          3HD1      ILE  28   0.306  -4.030  -9.228
  224    H    CYS  29           H        CYS  29   3.837   0.999 -10.185
  225    HA   CYS  29           HA       CYS  29   5.386   1.523  -7.693
  226   1HB   CYS  29          1HB       CYS  29   6.483   2.453  -9.627
  227   2HB   CYS  29          2HB       CYS  29   4.989   3.101 -10.254
  228    H    THR  30           H        THR  30   3.969   1.855  -6.096
  229    HA   THR  30           HA       THR  30   2.077   4.056  -6.262
  230    HB   THR  30           HB       THR  30   0.733   2.276  -7.400
  231    HG1  THR  30           HG1      THR  30  -0.021   3.768  -5.584
  232   1HG2  THR  30          1HG2      THR  30   1.047   0.723  -4.767
  233   2HG2  THR  30          2HG2      THR  30   0.069   0.240  -6.142
  234   3HG2  THR  30          3HG2      THR  30   1.819   0.261  -6.272
  235    H    ASN  31           H        ASN  31   0.822   4.284  -4.278
  236    HA   ASN  31           HA       ASN  31   2.220   3.255  -1.848
  237   1HB   ASN  31          1HB       ASN  31   1.930   5.538  -0.852
  238   2HB   ASN  31          2HB       ASN  31   2.947   5.580  -2.281
  239   1HD2  ASN  31          2HD2      ASN  31   1.640   7.891  -1.316
  240   2HD2  ASN  31          1HD2      ASN  31   0.472   8.368  -2.451
  241    H    CYS  32           H        CYS  32   0.906   3.166   0.039
  242    HA   CYS  32           HA       CYS  32  -1.603   1.993  -0.230
  243   1HB   CYS  32          1HB       CYS  32  -0.378   1.852   1.855
  244   2HB   CYS  32          2HB       CYS  32  -0.474   3.580   2.094
  245    H    CYS  33           H        CYS  33  -0.861   5.383  -0.063
  246    HA   CYS  33           HA       CYS  33  -3.477   6.403   0.471
  247   1HB   CYS  33          1HB       CYS  33  -1.273   7.667   0.535
  248   2HB   CYS  33          2HB       CYS  33  -1.289   7.682  -1.203
  249    H    ALA  34           H        ALA  34  -1.721   6.130  -2.616
  250    HA   ALA  34           HA       ALA  34  -3.835   6.792  -4.363
  251   1HB   ALA  34          1HB       ALA  34  -1.529   4.862  -4.838
  252   2HB   ALA  34          2HB       ALA  34  -2.519   5.574  -6.102
  253   3HB   ALA  34          3HB       ALA  34  -1.495   6.599  -5.113
  254    H    GLY  35           H        GLY  35  -3.030   3.670  -2.931
  255   1HA   GLY  35          1HA       GLY  35  -4.686   2.015  -4.410
  256   2HA   GLY  35          2HA       GLY  35  -4.272   1.726  -2.721
  257    H    THR  36           H        THR  36  -6.848   1.259  -4.013
  258    HA   THR  36           HA       THR  36  -8.574   3.340  -2.848
  259    HB   THR  36           HB       THR  36  -9.781   0.926  -4.137
  260    HG1  THR  36           HG1      THR  36  -8.228   2.995  -5.334
  261   1HG2  THR  36          1HG2      THR  36 -11.187   2.952  -3.438
  262   2HG2  THR  36          2HG2      THR  36 -10.231   3.931  -4.535
  263   3HG2  THR  36          3HG2      THR  36 -11.241   2.642  -5.160
  264    H    LYS  37           H        LYS  37 -10.611   2.416  -1.832
  265    HA   LYS  37           HA       LYS  37  -9.801   0.893   0.542
  266   1HB   LYS  37          1HB       LYS  37 -12.724   1.417   0.051
  267   2HB   LYS  37          2HB       LYS  37 -11.781   1.609   1.511
  268   1HG   LYS  37          1HG       LYS  37 -10.780   3.711   0.572
  269   2HG   LYS  37          2HG       LYS  37 -11.732   3.513  -0.887
  270   1HD   LYS  37          1HD       LYS  37 -12.888   5.088   0.517
  271   2HD   LYS  37          2HD       LYS  37 -13.824   3.607   0.474
  272   1HE   LYS  37          1HE       LYS  37 -12.885   2.951   2.704
  273   2HE   LYS  37          2HE       LYS  37 -11.949   4.438   2.737
  274   1HZ   LYS  37          1HZ       LYS  37 -14.896   4.322   2.518
  275   2HZ   LYS  37          2HZ       LYS  37 -14.046   4.540   3.972
  276   3HZ   LYS  37          3HZ       LYS  37 -13.940   5.708   2.743
  277    H    GLY  38           H        GLY  38 -10.205  -1.204   0.892
  278   1HA   GLY  38          1HA       GLY  38 -11.379  -3.294   0.603
  279   2HA   GLY  38          2HA       GLY  38 -11.906  -2.755  -0.990
  280    H    CYS  39           H        CYS  39  -9.120  -1.698  -1.481
  281    HA   CYS  39           HA       CYS  39  -8.019  -3.965  -2.842
  282   1HB   CYS  39          1HB       CYS  39  -6.741  -1.332  -2.059
  283   2HB   CYS  39          2HB       CYS  39  -6.096  -2.447  -3.218
  284    H    LYS  40           H        LYS  40  -5.635  -4.434  -2.512
  285    HA   LYS  40           HA       LYS  40  -4.943  -4.785   0.369
  286   1HB   LYS  40          1HB       LYS  40  -4.852  -7.008  -1.738
  287   2HB   LYS  40          2HB       LYS  40  -4.325  -7.133  -0.068
  288   1HG   LYS  40          1HG       LYS  40  -6.656  -6.652   0.702
  289   2HG   LYS  40          2HG       LYS  40  -7.177  -6.476  -0.959
  290   1HD   LYS  40          1HD       LYS  40  -7.865  -8.653  -0.284
  291   2HD   LYS  40          2HD       LYS  40  -6.518  -8.877  -1.377
  292   1HE   LYS  40          1HE       LYS  40  -6.214  -8.875   1.655
  293   2HE   LYS  40          2HE       LYS  40  -6.458 -10.335   0.709
  294   1HZ   LYS  40          1HZ       LYS  40  -4.428  -9.171  -0.583
  295   2HZ   LYS  40          2HZ       LYS  40  -4.105  -8.717   1.021
  296   3HZ   LYS  40          3HZ       LYS  40  -4.259 -10.359   0.617
  297    H    TYR  41           H        TYR  41  -3.382  -3.243   0.185
  298    HA   TYR  41           HA       TYR  41  -1.310  -3.405  -1.872
  299   1HB   TYR  41          1HB       TYR  41  -2.232  -1.419   0.168
  300   2HB   TYR  41          2HB       TYR  41  -0.530  -1.373  -0.226
  301    HD1  TYR  41           HD1      TYR  41  -3.539  -2.078  -2.420
  302    HD2  TYR  41           HD2      TYR  41  -0.191   0.428  -1.607
  303    HE1  TYR  41           HE1      TYR  41  -3.976  -0.815  -4.470
  304    HE2  TYR  41           HE2      TYR  41  -0.631   1.679  -3.645
  305    HH   TYR  41           HH       TYR  41  -2.543   2.168  -5.132
  306    H    PHE  42           H        PHE  42   0.348  -4.710  -1.624
  307    HA   PHE  42           HA       PHE  42   1.491  -5.162   1.073
  308   1HB   PHE  42          1HB       PHE  42   2.335  -7.285  -0.626
  309   2HB   PHE  42          2HB       PHE  42   1.251  -7.304   0.734
  310    HD1  PHE  42           HD1      PHE  42   1.004  -6.282  -2.879
  311    HD2  PHE  42           HD2      PHE  42  -0.691  -8.335   0.429
  312    HE1  PHE  42           HE1      PHE  42  -0.898  -7.017  -4.288
  313    HE2  PHE  42           HE2      PHE  42  -2.576  -9.068  -0.972
  314    HZ   PHE  42           HZ       PHE  42  -2.668  -8.411  -3.328
  315    H    SER  43           H        SER  43   3.573  -5.685   1.250
  316    HA   SER  43           HA       SER  43   5.409  -3.986  -0.066
  317   1HB   SER  43          1HB       SER  43   5.868  -6.314   1.867
  318   2HB   SER  43          2HB       SER  43   6.964  -4.990   1.541
  319    HG   SER  43           HG       SER  43   4.980  -3.672   2.095
  320    H    ASP  44           H        ASP  44   7.616  -4.963  -0.402
  321    HA   ASP  44           HA       ASP  44   7.594  -6.371  -2.910
  322   1HB   ASP  44          1HB       ASP  44   9.367  -4.675  -1.584
  323   2HB   ASP  44          2HB       ASP  44  10.203  -6.208  -1.472
  324    H    ASP  45           H        ASP  45   8.629  -7.168   0.313
  325    HA   ASP  45           HA       ASP  45   9.537  -9.835  -0.194
  326   1HB   ASP  45          1HB       ASP  45  10.246  -8.565   1.785
  327   2HB   ASP  45          2HB       ASP  45   8.592  -8.437   2.348
  328    H    GLY  46           H        GLY  46   6.408  -8.575  -0.247
  329   1HA   GLY  46          1HA       GLY  46   4.416  -9.617  -0.617
  330   2HA   GLY  46          2HA       GLY  46   5.220 -11.201  -0.411
  331    H    THR  47           H        THR  47   4.309  -8.275   1.292
  332    HA   THR  47           HA       THR  47   3.284  -9.697   3.546
  333    HB   THR  47           HB       THR  47   5.621  -7.721   3.735
  334    HG1  THR  47           HG1      THR  47   6.315  -9.742   3.272
  335   1HG2  THR  47          1HG2      THR  47   4.188  -9.265   5.993
  336   2HG2  THR  47          2HG2      THR  47   5.554  -8.180   6.208
  337   3HG2  THR  47          3HG2      THR  47   3.991  -7.538   5.737
  338    H    PHE  48           H        PHE  48   1.408  -8.896   3.564
  339    HA   PHE  48           HA       PHE  48   0.322  -6.634   2.446
  340   1HB   PHE  48          1HB       PHE  48  -0.978  -8.512   3.315
  341   2HB   PHE  48          2HB       PHE  48  -0.557  -8.085   4.961
  342    HD1  PHE  48           HD1      PHE  48  -1.460  -5.997   5.983
  343    HD2  PHE  48           HD2      PHE  48  -2.690  -7.271   2.101
  344    HE1  PHE  48           HE1      PHE  48  -3.378  -4.480   6.093
  345    HE2  PHE  48           HE2      PHE  48  -4.611  -5.750   2.225
  346    HZ   PHE  48           HZ       PHE  48  -4.947  -4.353   4.217
  347    H    VAL  49           H        VAL  49   0.420  -4.609   2.729
  348    HA   VAL  49           HA       VAL  49   1.441  -3.416   5.270
  349    HB   VAL  49           HB       VAL  49   1.115  -2.108   2.533
  350   1HG1  VAL  49          1HG1      VAL  49   2.579  -1.174   5.051
  351   2HG1  VAL  49          2HG1      VAL  49   2.579  -0.330   3.514
  352   3HG1  VAL  49          3HG1      VAL  49   1.092  -0.476   4.427
  353   1HG2  VAL  49          1HG2      VAL  49   3.588  -3.201   3.913
  354   2HG2  VAL  49          2HG2      VAL  49   2.807  -3.902   2.503
  355   3HG2  VAL  49          3HG2      VAL  49   3.575  -2.330   2.387
  356    H    CYS  50           H        CYS  50  -1.164  -2.741   2.806
  357    HA   CYS  50           HA       CYS  50  -3.037  -2.140   4.985
  358   1HB   CYS  50          1HB       CYS  50  -3.169   0.152   4.757
  359   2HB   CYS  50          2HB       CYS  50  -1.520   0.015   4.215
  360    H    GLU  51           H        GLU  51  -5.100  -1.235   3.853
  361    HA   GLU  51           HA       GLU  51  -5.521  -2.934   1.434
  362   1HB   GLU  51          1HB       GLU  51  -8.110  -2.244   2.470
  363   2HB   GLU  51          2HB       GLU  51  -7.276  -3.759   2.676
  364   1HG   GLU  51          1HG       GLU  51  -6.259  -2.958   4.816
  365   2HG   GLU  51          2HG       GLU  51  -7.120  -1.445   4.617
  366    H    GLY  52           H        GLY  52  -4.306  -0.795   0.867
  367   1HA   GLY  52          1HA       GLY  52  -4.288   1.197  -0.363
  368   2HA   GLY  52          2HA       GLY  52  -5.857   0.682  -0.969
  369    H    GLU  53           H        GLU  53  -7.036   2.570  -0.771
  370    HA   GLU  53           HA       GLU  53  -8.567   3.487   1.113
  371   1HB   GLU  53          1HB       GLU  53  -6.803   3.734   2.863
  372   2HB   GLU  53          2HB       GLU  53  -5.838   4.754   1.808
  373   1HG   GLU  53          1HG       GLU  53  -7.194   5.919   3.649
  374   2HG   GLU  53          2HG       GLU  53  -7.474   6.577   2.057
  375    H    SER  54           H        SER  54  -9.185   3.862  -1.064
  376    HA   SER  54           HA       SER  54  -9.920   5.261  -2.757
  377   1HB   SER  54          1HB       SER  54 -10.453   6.869  -0.940
  378   2HB   SER  54          2HB       SER  54  -8.811   7.521  -0.977
  379    HG   SER  54           HG       SER  54 -10.342   7.307  -3.327
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -8.900   7.627   4.273
    2   2H    MET   1          2H        MET   1 -10.040   7.274   5.481
    3   3H    MET   1          3H        MET   1  -9.843   6.219   4.167
    4    HA   MET   1           HA       MET   1 -11.407   7.257   3.077
    5   1HB   MET   1          1HB       MET   1 -11.620   8.403   5.693
    6   2HB   MET   1          2HB       MET   1 -11.742   9.759   4.597
    7   1HG   MET   1          1HG       MET   1 -13.508   8.537   3.331
    8   2HG   MET   1          2HG       MET   1 -13.392   7.223   4.470
    9   1HE   MET   1          1HE       MET   1 -13.832  11.113   4.410
   10   2HE   MET   1          2HE       MET   1 -15.156  10.387   3.469
   11   3HE   MET   1          3HE       MET   1 -15.485  11.222   4.978
   12    H    LYS   2           H        LYS   2 -11.591   8.648   1.420
   13    HA   LYS   2           HA       LYS   2 -10.894  10.031  -0.293
   14   1HB   LYS   2          1HB       LYS   2 -11.527  11.733   1.416
   15   2HB   LYS   2          2HB       LYS   2  -9.888  11.749   2.036
   16   1HG   LYS   2          1HG       LYS   2  -9.045  12.489  -0.208
   17   2HG   LYS   2          2HG       LYS   2 -10.686  12.494  -0.817
   18   1HD   LYS   2          1HD       LYS   2  -9.691  14.215   1.499
   19   2HD   LYS   2          2HD       LYS   2  -9.854  14.771  -0.153
   20   1HE   LYS   2          1HE       LYS   2 -12.311  14.280  -0.067
   21   2HE   LYS   2          2HE       LYS   2 -12.143  13.790   1.615
   22   1HZ   LYS   2          1HZ       LYS   2 -11.451  16.459   0.544
   23   2HZ   LYS   2          2HZ       LYS   2 -12.870  16.072   1.394
   24   3HZ   LYS   2          3HZ       LYS   2 -11.361  15.973   2.169
   25    H    ALA   3           H        ALA   3  -9.407   8.941  -1.379
   26    HA   ALA   3           HA       ALA   3  -6.919   8.111  -0.724
   27   1HB   ALA   3          1HB       ALA   3  -7.874   9.070  -3.432
   28   2HB   ALA   3          2HB       ALA   3  -6.448   8.076  -3.180
   29   3HB   ALA   3          3HB       ALA   3  -8.037   7.447  -2.781
   30    H    CYS   4           H        CYS   4  -4.879   8.883  -0.680
   31    HA   CYS   4           HA       CYS   4  -4.383  11.677  -0.324
   32   1HB   CYS   4          1HB       CYS   4  -2.804   9.157  -0.342
   33   2HB   CYS   4          2HB       CYS   4  -1.881  10.599  -0.568
   34    H    THR   5           H        THR   5  -1.987  12.168  -1.489
   35    HA   THR   5           HA       THR   5  -2.689  13.171  -4.065
   36    HB   THR   5           HB       THR   5   0.014  13.171  -2.597
   37    HG1  THR   5           HG1      THR   5  -1.680  13.904  -1.314
   38   1HG2  THR   5          1HG2      THR   5  -1.322  15.196  -4.422
   39   2HG2  THR   5          2HG2      THR   5   0.277  15.319  -3.681
   40   3HG2  THR   5          3HG2      THR   5  -0.013  14.144  -4.955
   41    H    LEU   6           H        LEU   6  -2.694  10.252  -4.086
   42    HA   LEU   6           HA       LEU   6  -1.944   8.453  -5.376
   43   1HB   LEU   6          1HB       LEU   6  -1.096  10.682  -7.275
   44   2HB   LEU   6          2HB       LEU   6  -1.424   9.019  -7.711
   45    HG   LEU   6           HG       LEU   6  -3.494  10.951  -6.557
   46   1HD1  LEU   6          1HD1      LEU   6  -3.130   9.881  -9.387
   47   2HD1  LEU   6          2HD1      LEU   6  -4.454  10.900  -8.845
   48   3HD1  LEU   6          3HD1      LEU   6  -2.818  11.530  -8.870
   49   1HD2  LEU   6          1HD2      LEU   6  -3.833   8.125  -7.671
   50   2HD2  LEU   6          2HD2      LEU   6  -3.992   8.567  -5.978
   51   3HD2  LEU   6          3HD2      LEU   6  -5.136   9.181  -7.152
   52    H    ASN   7           H        ASN   7  -0.043   9.696  -3.495
   53    HA   ASN   7           HA       ASN   7   2.540   9.834  -4.406
   54   1HB   ASN   7          1HB       ASN   7   1.691   8.783  -1.682
   55   2HB   ASN   7          2HB       ASN   7   3.205   9.573  -2.074
   56   1HD2  ASN   7          2HD2      ASN   7  -0.221  10.075  -1.536
   57   2HD2  ASN   7          1HD2      ASN   7  -0.160  11.766  -1.431
   58    H    CYS   8           H        CYS   8   4.263   8.364  -3.505
   59    HA   CYS   8           HA       CYS   8   3.798   5.496  -4.334
   60   1HB   CYS   8          1HB       CYS   8   6.174   7.335  -4.390
   61   2HB   CYS   8          2HB       CYS   8   6.390   5.639  -4.370
   62    H    ASP   9           H        ASP   9   4.716   4.057  -2.862
   63    HA   ASP   9           HA       ASP   9   5.545   5.116  -0.207
   64   1HB   ASP   9          1HB       ASP   9   3.293   4.540  -0.281
   65   2HB   ASP   9          2HB       ASP   9   3.615   2.899  -0.785
   66    HA   PRO  10           HA       PRO  10   9.058   2.803  -1.232
   67   1HB   PRO  10          1HB       PRO  10  10.359   2.839   1.267
   68   2HB   PRO  10          2HB       PRO  10  10.433   4.101   0.045
   69   1HG   PRO  10          1HG       PRO  10   8.858   4.015   2.560
   70   2HG   PRO  10          2HG       PRO  10   9.447   5.410   1.666
   71   1HD   PRO  10          1HD       PRO  10   6.786   4.527   1.668
   72   2HD   PRO  10          2HD       PRO  10   7.505   5.573   0.427
   73    H    ARG  11           H        ARG  11   7.345   1.827   1.603
   74    HA   ARG  11           HA       ARG  11   8.551  -0.867   1.578
   75   1HB   ARG  11          1HB       ARG  11   7.181  -1.380   3.531
   76   2HB   ARG  11          2HB       ARG  11   7.997   0.138   3.771
   77   1HG   ARG  11          1HG       ARG  11   5.153   0.157   2.734
   78   2HG   ARG  11          2HG       ARG  11   5.438  -0.182   4.417
   79   1HD   ARG  11          1HD       ARG  11   6.461   2.349   3.048
   80   2HD   ARG  11          2HD       ARG  11   5.014   2.246   4.037
   81    HE   ARG  11           HE       ARG  11   6.928   1.201   5.682
   82   1HH1  ARG  11          1HH1      ARG  11   6.688   4.098   3.786
   83   2HH1  ARG  11          2HH1      ARG  11   7.670   5.025   4.870
   84   1HH2  ARG  11          1HH2      ARG  11   8.176   2.364   7.070
   85   2HH2  ARG  11          2HH2      ARG  11   8.523   4.032   6.755
   86    H    ILE  12           H        ILE  12   5.824   0.636   0.085
   87    HA   ILE  12           HA       ILE  12   4.327  -1.904  -0.146
   88    HB   ILE  12           HB       ILE  12   3.798   0.902  -1.083
   89   1HG1  ILE  12          1HG1      ILE  12   2.241  -1.113   0.594
   90   2HG1  ILE  12          2HG1      ILE  12   3.322   0.060   1.301
   91   1HG2  ILE  12          1HG2      ILE  12   2.165  -1.593  -1.811
   92   2HG2  ILE  12          2HG2      ILE  12   1.674   0.060  -2.130
   93   3HG2  ILE  12          3HG2      ILE  12   3.053  -0.607  -2.962
   94   1HD1  ILE  12          1HD1      ILE  12   1.919   1.872   0.305
   95   2HD1  ILE  12          2HD1      ILE  12   0.827   0.643  -0.329
   96   3HD1  ILE  12          3HD1      ILE  12   1.021   0.830   1.405
   97    H    ALA  13           H        ALA  13   4.226  -3.138  -1.841
   98    HA   ALA  13           HA       ALA  13   6.101  -2.695  -4.112
   99   1HB   ALA  13          1HB       ALA  13   4.600  -5.218  -3.242
  100   2HB   ALA  13          2HB       ALA  13   5.761  -5.123  -4.550
  101   3HB   ALA  13          3HB       ALA  13   6.285  -4.855  -2.902
  102    H    TYR  14           H        TYR  14   2.871  -4.000  -3.476
  103    HA   TYR  14           HA       TYR  14   1.674  -2.258  -5.466
  104   1HB   TYR  14          1HB       TYR  14   0.975  -4.121  -7.046
  105   2HB   TYR  14          2HB       TYR  14   2.684  -3.748  -7.045
  106    HD1  TYR  14           HD1      TYR  14   0.148  -6.218  -6.064
  107    HD2  TYR  14           HD2      TYR  14   4.307  -5.342  -6.186
  108    HE1  TYR  14           HE1      TYR  14   0.660  -8.560  -5.603
  109    HE2  TYR  14           HE2      TYR  14   4.823  -7.677  -5.726
  110    HH   TYR  14           HH       TYR  14   2.787 -10.121  -6.143
  111    H    GLY  15           H        GLY  15  -0.491  -2.675  -5.984
  112   1HA   GLY  15          1HA       GLY  15  -2.041  -3.759  -3.682
  113   2HA   GLY  15          2HA       GLY  15  -2.581  -2.458  -4.721
  114    H    VAL  16           H        VAL  16  -3.947  -4.804  -4.051
  115    HA   VAL  16           HA       VAL  16  -4.461  -5.934  -6.775
  116    HB   VAL  16           HB       VAL  16  -3.976  -7.405  -4.162
  117   1HG1  VAL  16          1HG1      VAL  16  -5.226  -8.584  -6.662
  118   2HG1  VAL  16          2HG1      VAL  16  -4.715  -9.502  -5.257
  119   3HG1  VAL  16          3HG1      VAL  16  -6.049  -8.374  -5.120
  120   1HG2  VAL  16          1HG2      VAL  16  -2.035  -6.992  -5.673
  121   2HG2  VAL  16          2HG2      VAL  16  -2.403  -8.705  -5.589
  122   3HG2  VAL  16          3HG2      VAL  16  -2.890  -7.769  -6.993
  123    H    CYS  17           H        CYS  17  -6.446  -5.296  -7.279
  124    HA   CYS  17           HA       CYS  17  -8.466  -4.932  -5.137
  125   1HB   CYS  17          1HB       CYS  17  -8.461  -4.019  -7.988
  126   2HB   CYS  17          2HB       CYS  17  -9.698  -3.655  -6.814
  127    HA   PRO  18           HA       PRO  18 -10.517  -8.792  -6.194
  128   1HB   PRO  18          1HB       PRO  18 -12.996  -7.434  -5.292
  129   2HB   PRO  18          2HB       PRO  18 -12.252  -8.919  -4.712
  130   1HG   PRO  18          1HG       PRO  18 -12.177  -6.472  -3.390
  131   2HG   PRO  18          2HG       PRO  18 -11.062  -7.799  -3.098
  132   1HD   PRO  18          1HD       PRO  18 -10.544  -5.227  -4.423
  133   2HD   PRO  18          2HD       PRO  18  -9.381  -6.436  -3.848
  134    H    ARG  19           H        ARG  19 -11.514  -9.568  -7.928
  135    HA   ARG  19           HA       ARG  19 -12.282  -9.643 -10.111
  136   1HB   ARG  19          1HB       ARG  19 -14.277  -7.498  -9.241
  137   2HB   ARG  19          2HB       ARG  19 -14.498  -8.700 -10.485
  138   1HG   ARG  19          1HG       ARG  19 -15.824  -9.411  -8.648
  139   2HG   ARG  19          2HG       ARG  19 -14.444 -10.481  -8.678
  140   1HD   ARG  19          1HD       ARG  19 -13.453  -9.428  -6.759
  141   2HD   ARG  19          2HD       ARG  19 -14.573  -8.067  -6.819
  142    HE   ARG  19           HE       ARG  19 -15.062 -10.745  -5.741
  143   1HH1  ARG  19          1HH1      ARG  19 -16.491  -7.854  -7.021
  144   2HH1  ARG  19          2HH1      ARG  19 -18.011  -8.128  -6.239
  145   1HH2  ARG  19          1HH2      ARG  19 -16.977 -11.107  -4.747
  146   2HH2  ARG  19          2HH2      ARG  19 -18.292  -9.995  -4.935
  147    H    SER  20           H        SER  20 -10.205  -7.808  -9.622
  148    HA   SER  20           HA       SER  20  -9.997  -6.466 -12.141
  149   1HB   SER  20          1HB       SER  20  -9.949  -4.066 -11.197
  150   2HB   SER  20          2HB       SER  20 -11.559  -4.778 -11.073
  151    HG   SER  20           HG       SER  20 -10.507  -5.615  -8.949
  152    H    GLU  21           H        GLU  21  -8.378  -8.178 -11.431
  153    HA   GLU  21           HA       GLU  21  -5.922  -6.866 -10.777
  154   1HB   GLU  21          1HB       GLU  21  -5.489  -8.464  -8.770
  155   2HB   GLU  21          2HB       GLU  21  -6.695  -7.231  -8.482
  156   1HG   GLU  21          1HG       GLU  21  -8.542  -8.805  -8.918
  157   2HG   GLU  21          2HG       GLU  21  -7.462 -10.044  -9.486
  158    H    GLU  22           H        GLU  22  -5.624  -9.998  -9.813
  159    HA   GLU  22           HA       GLU  22  -4.613 -11.849 -10.610
  160   1HB   GLU  22          1HB       GLU  22  -6.932 -11.286 -12.220
  161   2HB   GLU  22          2HB       GLU  22  -5.713 -11.797 -13.360
  162   1HG   GLU  22          1HG       GLU  22  -6.991 -13.743 -12.488
  163   2HG   GLU  22          2HG       GLU  22  -5.302 -13.858 -12.018
  164    H    LYS  23           H        LYS  23  -3.073  -9.743 -10.655
  165    HA   LYS  23           HA       LYS  23  -1.239 -10.159 -12.921
  166   1HB   LYS  23          1HB       LYS  23  -2.198  -7.597 -11.597
  167   2HB   LYS  23          2HB       LYS  23  -0.510  -7.665 -12.029
  168   1HG   LYS  23          1HG       LYS  23  -1.612  -6.629 -13.875
  169   2HG   LYS  23          2HG       LYS  23  -1.218  -8.251 -14.404
  170   1HD   LYS  23          1HD       LYS  23  -3.545  -8.980 -13.908
  171   2HD   LYS  23          2HD       LYS  23  -3.923  -7.359 -13.345
  172   1HE   LYS  23          1HE       LYS  23  -3.441  -6.468 -15.612
  173   2HE   LYS  23          2HE       LYS  23  -3.039  -8.090 -16.167
  174   1HZ   LYS  23          1HZ       LYS  23  -5.278  -8.792 -15.610
  175   2HZ   LYS  23          2HZ       LYS  23  -5.662  -7.217 -15.104
  176   3HZ   LYS  23          3HZ       LYS  23  -5.289  -7.518 -16.734
  177    H    LYS  24           H        LYS  24  -1.086  -8.345  -9.937
  178    HA   LYS  24           HA       LYS  24   0.503  -8.325  -8.252
  179   1HB   LYS  24          1HB       LYS  24   0.149 -10.911  -7.145
  180   2HB   LYS  24          2HB       LYS  24  -0.860  -9.525  -6.854
  181   1HG   LYS  24          1HG       LYS  24  -2.329 -10.205  -8.785
  182   2HG   LYS  24          2HG       LYS  24  -1.351 -11.653  -8.974
  183   1HD   LYS  24          1HD       LYS  24  -1.985 -12.399  -6.717
  184   2HD   LYS  24          2HD       LYS  24  -2.874 -10.907  -6.446
  185   1HE   LYS  24          1HE       LYS  24  -4.358 -11.453  -8.391
  186   2HE   LYS  24          2HE       LYS  24  -3.493 -12.969  -8.611
  187   1HZ   LYS  24          1HZ       LYS  24  -4.135 -13.561  -6.328
  188   2HZ   LYS  24          2HZ       LYS  24  -5.078 -12.150  -6.253
  189   3HZ   LYS  24          3HZ       LYS  24  -5.457 -13.365  -7.376
  190    H    ASN  25           H        ASN  25   1.902  -8.456 -10.312
  191    HA   ASN  25           HA       ASN  25   4.237  -9.975  -9.561
  192   1HB   ASN  25          1HB       ASN  25   2.457 -10.847 -11.811
  193   2HB   ASN  25          2HB       ASN  25   4.127 -10.686 -12.310
  194   1HD2  ASN  25          2HD2      ASN  25   1.921 -12.583 -10.407
  195   2HD2  ASN  25          1HD2      ASN  25   3.048 -13.755  -9.914
  196    H    ASP  26           H        ASP  26   3.944  -7.420  -9.371
  197    HA   ASP  26           HA       ASP  26   5.929  -6.255 -11.056
  198   1HB   ASP  26          1HB       ASP  26   3.236  -6.113 -12.091
  199   2HB   ASP  26          2HB       ASP  26   3.587  -4.516 -11.466
  200    H    ARG  27           H        ARG  27   6.900  -4.920  -9.773
  201    HA   ARG  27           HA       ARG  27   5.691  -4.058  -7.234
  202   1HB   ARG  27          1HB       ARG  27   7.993  -4.854  -7.107
  203   2HB   ARG  27          2HB       ARG  27   8.492  -3.818  -8.425
  204   1HG   ARG  27          1HG       ARG  27   8.139  -1.789  -7.055
  205   2HG   ARG  27          2HG       ARG  27   7.443  -2.753  -5.773
  206   1HD   ARG  27          1HD       ARG  27   9.702  -3.889  -5.500
  207   2HD   ARG  27          2HD       ARG  27  10.327  -2.841  -6.764
  208    HE   ARG  27           HE       ARG  27  10.412  -1.098  -5.214
  209   1HH1  ARG  27          1HH1      ARG  27   8.257  -3.574  -4.088
  210   2HH1  ARG  27          2HH1      ARG  27   8.004  -2.808  -2.556
  211   1HH2  ARG  27          1HH2      ARG  27  10.102  -0.120  -3.273
  212   2HH2  ARG  27          2HH2      ARG  27   9.059  -0.837  -2.088
  213    H    ILE  28           H        ILE  28   4.148  -2.668  -7.965
  214    HA   ILE  28           HA       ILE  28   4.580  -0.464  -9.714
  215    HB   ILE  28           HB       ILE  28   2.382  -0.560  -7.668
  216   1HG1  ILE  28          1HG1      ILE  28   2.236  -2.098 -10.337
  217   2HG1  ILE  28          2HG1      ILE  28   2.660  -2.961  -8.894
  218   1HG2  ILE  28          1HG2      ILE  28   2.466   0.213 -10.586
  219   2HG2  ILE  28          2HG2      ILE  28   1.030   0.288  -9.578
  220   3HG2  ILE  28          3HG2      ILE  28   2.375   1.330  -9.235
  221   1HD1  ILE  28          1HD1      ILE  28   0.486  -2.260  -7.859
  222   2HD1  ILE  28          2HD1      ILE  28   0.028  -1.521  -9.381
  223   3HD1  ILE  28          3HD1      ILE  28   0.300  -3.251  -9.295
  224    H    CYS  29           H        CYS  29   3.792   1.750  -8.566
  225    HA   CYS  29           HA       CYS  29   5.298   2.247  -6.036
  226   1HB   CYS  29          1HB       CYS  29   6.524   2.798  -8.242
  227   2HB   CYS  29          2HB       CYS  29   5.329   4.021  -8.505
  228    H    THR  30           H        THR  30   3.369   2.236  -5.026
  229    HA   THR  30           HA       THR  30   1.524   4.519  -5.521
  230    HB   THR  30           HB       THR  30   0.441   2.510  -6.508
  231    HG1  THR  30           HG1      THR  30  -1.358   2.475  -5.081
  232   1HG2  THR  30          1HG2      THR  30   1.687   0.750  -5.132
  233   2HG2  THR  30          2HG2      THR  30   0.746   1.243  -3.731
  234   3HG2  THR  30          3HG2      THR  30  -0.049   0.520  -5.121
  235    H    ASN  31           H        ASN  31   0.011   4.691  -3.560
  236    HA   ASN  31           HA       ASN  31   1.532   4.290  -1.036
  237   1HB   ASN  31          1HB       ASN  31   1.816   6.567  -1.501
  238   2HB   ASN  31          2HB       ASN  31   0.276   6.727  -2.296
  239   1HD2  ASN  31          2HD2      ASN  31  -0.262   8.596  -1.154
  240   2HD2  ASN  31          1HD2      ASN  31  -0.635   8.603   0.496
  241    H    CYS  32           H        CYS  32   0.451   3.750   0.765
  242    HA   CYS  32           HA       CYS  32  -1.911   2.220   0.580
  243   1HB   CYS  32          1HB       CYS  32  -0.559   1.872   2.517
  244   2HB   CYS  32          2HB       CYS  32  -0.561   3.570   2.932
  245    H    CYS  33           H        CYS  33  -1.540   5.467   1.942
  246    HA   CYS  33           HA       CYS  33  -4.317   5.949   2.350
  247   1HB   CYS  33          1HB       CYS  33  -2.708   7.318   3.469
  248   2HB   CYS  33          2HB       CYS  33  -1.963   7.796   1.966
  249    H    ALA  34           H        ALA  34  -2.250   6.299  -0.438
  250    HA   ALA  34           HA       ALA  34  -4.204   7.794  -2.029
  251   1HB   ALA  34          1HB       ALA  34  -1.694   6.319  -2.873
  252   2HB   ALA  34          2HB       ALA  34  -2.635   7.412  -3.866
  253   3HB   ALA  34          3HB       ALA  34  -1.778   8.031  -2.461
  254    H    GLY  35           H        GLY  35  -3.631   4.551  -1.237
  255   1HA   GLY  35          1HA       GLY  35  -4.477   3.113  -3.429
  256   2HA   GLY  35          2HA       GLY  35  -4.600   2.562  -1.777
  257    H    THR  36           H        THR  36  -6.502   1.458  -2.653
  258    HA   THR  36           HA       THR  36  -8.916   3.184  -2.650
  259    HB   THR  36           HB       THR  36  -8.917   0.505  -3.909
  260    HG1  THR  36           HG1      THR  36  -7.106   1.567  -4.787
  261   1HG2  THR  36          1HG2      THR  36 -10.183   3.165  -4.772
  262   2HG2  THR  36          2HG2      THR  36 -10.421   1.624  -5.579
  263   3HG2  THR  36          3HG2      THR  36 -11.064   1.868  -3.975
  264    H    LYS  37           H        LYS  37 -10.902   1.611  -2.244
  265    HA   LYS  37           HA       LYS  37 -10.421   0.265   0.363
  266   1HB   LYS  37          1HB       LYS  37 -12.171   1.757   0.702
  267   2HB   LYS  37          2HB       LYS  37 -12.703   1.710  -0.964
  268   1HG   LYS  37          1HG       LYS  37 -13.755  -0.514  -0.600
  269   2HG   LYS  37          2HG       LYS  37 -13.208  -0.515   1.065
  270   1HD   LYS  37          1HD       LYS  37 -15.113   1.524  -0.178
  271   2HD   LYS  37          2HD       LYS  37 -15.607   0.170   0.815
  272   1HE   LYS  37          1HE       LYS  37 -13.865   2.501   1.751
  273   2HE   LYS  37          2HE       LYS  37 -15.539   2.209   2.181
  274   1HZ   LYS  37          1HZ       LYS  37 -14.763   0.014   3.073
  275   2HZ   LYS  37          2HZ       LYS  37 -13.179   0.604   2.917
  276   3HZ   LYS  37          3HZ       LYS  37 -14.281   1.395   3.939
  277    H    GLY  38           H        GLY  38 -10.974  -1.887   0.630
  278   1HA   GLY  38          1HA       GLY  38 -11.754  -4.045   0.032
  279   2HA   GLY  38          2HA       GLY  38 -12.163  -3.444  -1.571
  280    H    CYS  39           H        CYS  39  -9.602  -2.245  -2.069
  281    HA   CYS  39           HA       CYS  39  -8.169  -4.488  -3.153
  282   1HB   CYS  39          1HB       CYS  39  -7.310  -1.618  -2.756
  283   2HB   CYS  39          2HB       CYS  39  -6.587  -2.738  -3.878
  284    H    LYS  40           H        LYS  40  -5.825  -4.835  -2.692
  285    HA   LYS  40           HA       LYS  40  -5.071  -4.398   0.166
  286   1HB   LYS  40          1HB       LYS  40  -4.392  -6.799   0.300
  287   2HB   LYS  40          2HB       LYS  40  -6.111  -6.585   0.062
  288   1HG   LYS  40          1HG       LYS  40  -5.602  -6.880  -2.475
  289   2HG   LYS  40          2HG       LYS  40  -4.030  -7.422  -1.980
  290   1HD   LYS  40          1HD       LYS  40  -5.340  -9.397  -2.277
  291   2HD   LYS  40          2HD       LYS  40  -5.196  -9.183  -0.543
  292   1HE   LYS  40          1HE       LYS  40  -7.539  -9.728  -1.209
  293   2HE   LYS  40          2HE       LYS  40  -7.469  -8.139  -0.470
  294   1HZ   LYS  40          1HZ       LYS  40  -7.249  -8.475  -3.393
  295   2HZ   LYS  40          2HZ       LYS  40  -8.761  -8.409  -2.622
  296   3HZ   LYS  40          3HZ       LYS  40  -7.691  -7.095  -2.510
  297    H    TYR  41           H        TYR  41  -3.277  -3.363   0.226
  298    HA   TYR  41           HA       TYR  41  -1.246  -3.575  -1.868
  299   1HB   TYR  41          1HB       TYR  41  -1.768  -1.518   0.300
  300   2HB   TYR  41          2HB       TYR  41  -0.450  -1.463  -0.835
  301    HD1  TYR  41           HD1      TYR  41  -4.183  -1.663  -0.713
  302    HD2  TYR  41           HD2      TYR  41  -0.783  -0.409  -2.946
  303    HE1  TYR  41           HE1      TYR  41  -5.645  -0.557  -2.323
  304    HE2  TYR  41           HE2      TYR  41  -2.261   0.697  -4.561
  305    HH   TYR  41           HH       TYR  41  -5.594   1.195  -3.964
  306    H    PHE  42           H        PHE  42   0.334  -4.870  -1.509
  307    HA   PHE  42           HA       PHE  42   1.473  -5.175   1.214
  308   1HB   PHE  42          1HB       PHE  42   2.226  -7.478  -0.214
  309   2HB   PHE  42          2HB       PHE  42   1.012  -7.344   1.021
  310    HD1  PHE  42           HD1      PHE  42   1.171  -6.653  -2.668
  311    HD2  PHE  42           HD2      PHE  42  -0.991  -8.299   0.620
  312    HE1  PHE  42           HE1      PHE  42  -0.594  -7.427  -4.187
  313    HE2  PHE  42           HE2      PHE  42  -2.734  -9.067  -0.903
  314    HZ   PHE  42           HZ       PHE  42  -2.540  -8.639  -3.303
  315    H    SER  43           H        SER  43   3.615  -5.633   1.385
  316    HA   SER  43           HA       SER  43   5.384  -4.096  -0.220
  317   1HB   SER  43          1HB       SER  43   5.932  -6.120   1.997
  318   2HB   SER  43          2HB       SER  43   6.980  -4.835   1.427
  319    HG   SER  43           HG       SER  43   5.972  -3.543   2.676
  320    H    ASP  44           H        ASP  44   7.566  -5.196  -0.544
  321    HA   ASP  44           HA       ASP  44   7.177  -7.265  -2.622
  322   1HB   ASP  44          1HB       ASP  44   8.758  -4.976  -2.502
  323   2HB   ASP  44          2HB       ASP  44   9.931  -6.229  -2.174
  324    H    ASP  45           H        ASP  45   8.816  -6.771   0.402
  325    HA   ASP  45           HA       ASP  45  10.298  -9.255   0.398
  326   1HB   ASP  45          1HB       ASP  45  10.805  -8.664   2.748
  327   2HB   ASP  45          2HB       ASP  45  10.982  -7.256   1.717
  328    H    GLY  46           H        GLY  46   7.039  -8.886   0.505
  329   1HA   GLY  46          1HA       GLY  46   5.417 -10.418   0.910
  330   2HA   GLY  46          2HA       GLY  46   6.616 -11.496   1.638
  331    H    THR  47           H        THR  47   5.114  -8.354   2.205
  332    HA   THR  47           HA       THR  47   4.225  -9.062   4.823
  333    HB   THR  47           HB       THR  47   6.328  -6.899   4.305
  334    HG1  THR  47           HG1      THR  47   7.481  -8.189   5.716
  335   1HG2  THR  47          1HG2      THR  47   4.896  -7.571   6.957
  336   2HG2  THR  47          2HG2      THR  47   6.158  -6.364   6.756
  337   3HG2  THR  47          3HG2      THR  47   4.576  -6.104   6.046
  338    H    PHE  48           H        PHE  48   2.200  -8.492   4.651
  339    HA   PHE  48           HA       PHE  48   1.141  -6.620   2.808
  340   1HB   PHE  48          1HB       PHE  48  -0.175  -8.466   3.786
  341   2HB   PHE  48          2HB       PHE  48  -0.057  -7.733   5.377
  342    HD1  PHE  48           HD1      PHE  48  -0.988  -6.600   1.904
  343    HD2  PHE  48           HD2      PHE  48  -1.989  -6.602   6.048
  344    HE1  PHE  48           HE1      PHE  48  -2.983  -5.274   1.427
  345    HE2  PHE  48           HE2      PHE  48  -3.989  -5.268   5.558
  346    HZ   PHE  48           HZ       PHE  48  -4.478  -4.607   3.247
  347    H    VAL  49           H        VAL  49   0.570  -4.532   2.887
  348    HA   VAL  49           HA       VAL  49   1.517  -2.989   5.270
  349    HB   VAL  49           HB       VAL  49   0.939  -1.978   2.441
  350   1HG1  VAL  49          1HG1      VAL  49   2.405  -0.708   4.808
  351   2HG1  VAL  49          2HG1      VAL  49   2.226   0.021   3.227
  352   3HG1  VAL  49          3HG1      VAL  49   0.816  -0.225   4.238
  353   1HG2  VAL  49          1HG2      VAL  49   3.579  -2.708   3.796
  354   2HG2  VAL  49          2HG2      VAL  49   2.833  -3.600   2.481
  355   3HG2  VAL  49          3HG2      VAL  49   3.441  -1.981   2.210
  356    H    CYS  50           H        CYS  50  -1.180  -2.605   2.827
  357    HA   CYS  50           HA       CYS  50  -3.128  -2.538   4.986
  358   1HB   CYS  50          1HB       CYS  50  -3.507  -0.291   5.272
  359   2HB   CYS  50          2HB       CYS  50  -1.842  -0.136   4.795
  360    H    GLU  51           H        GLU  51  -5.335  -1.825   4.132
  361    HA   GLU  51           HA       GLU  51  -5.621  -2.971   1.447
  362   1HB   GLU  51          1HB       GLU  51  -8.041  -2.180   3.084
  363   2HB   GLU  51          2HB       GLU  51  -7.743  -3.613   2.135
  364   1HG   GLU  51          1HG       GLU  51  -6.369  -4.582   3.918
  365   2HG   GLU  51          2HG       GLU  51  -6.539  -3.124   4.883
  366    H    GLY  52           H        GLY  52  -4.485  -0.742   1.112
  367   1HA   GLY  52          1HA       GLY  52  -4.518   1.353   0.094
  368   2HA   GLY  52          2HA       GLY  52  -6.017   0.819  -0.642
  369    H    GLU  53           H        GLU  53  -7.048   2.846  -0.506
  370    HA   GLU  53           HA       GLU  53  -8.520   3.466   1.804
  371   1HB   GLU  53          1HB       GLU  53  -6.238   4.222   2.714
  372   2HB   GLU  53          2HB       GLU  53  -6.159   5.345   1.386
  373   1HG   GLU  53          1HG       GLU  53  -8.613   6.046   2.461
  374   2HG   GLU  53          2HG       GLU  53  -7.827   5.391   3.878
  375    H    SER  54           H        SER  54  -9.528   3.312  -0.590
  376    HA   SER  54           HA       SER  54  -9.530   5.253  -2.505
  377   1HB   SER  54          1HB       SER  54 -11.134   3.339  -2.490
  378   2HB   SER  54          2HB       SER  54 -12.097   4.158  -1.262
  379    HG   SER  54           HG       SER  54 -12.371   5.868  -2.685
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -10.043  14.373   3.201
    2   2H    MET   1          2H        MET   1  -9.875  14.512   4.885
    3   3H    MET   1          3H        MET   1 -10.004  15.908   3.925
    4    HA   MET   1           HA       MET   1  -7.755  15.654   4.556
    5   1HB   MET   1          1HB       MET   1  -8.342  12.866   4.315
    6   2HB   MET   1          2HB       MET   1  -7.137  13.176   3.087
    7   1HG   MET   1          1HG       MET   1  -5.723  14.300   4.821
    8   2HG   MET   1          2HG       MET   1  -6.918  13.892   6.020
    9   1HE   MET   1          1HE       MET   1  -4.828  12.190   3.167
   10   2HE   MET   1          2HE       MET   1  -3.710  12.961   4.319
   11   3HE   MET   1          3HE       MET   1  -3.762  11.214   4.158
   12    H    LYS   2           H        LYS   2  -6.068  16.183   3.169
   13    HA   LYS   2           HA       LYS   2  -6.901  17.200   0.603
   14   1HB   LYS   2          1HB       LYS   2  -5.246  18.359   2.059
   15   2HB   LYS   2          2HB       LYS   2  -4.155  17.007   1.917
   16   1HG   LYS   2          1HG       LYS   2  -3.284  18.657   0.461
   17   2HG   LYS   2          2HG       LYS   2  -4.027  17.496  -0.603
   18   1HD   LYS   2          1HD       LYS   2  -5.558  19.960   0.298
   19   2HD   LYS   2          2HD       LYS   2  -4.401  20.068  -1.007
   20   1HE   LYS   2          1HE       LYS   2  -5.677  18.299  -2.254
   21   2HE   LYS   2          2HE       LYS   2  -6.899  18.314  -0.992
   22   1HZ   LYS   2          1HZ       LYS   2  -7.250  20.652  -1.386
   23   2HZ   LYS   2          2HZ       LYS   2  -6.101  20.626  -2.636
   24   3HZ   LYS   2          3HZ       LYS   2  -7.533  19.725  -2.781
   25    H    ALA   3           H        ALA   3  -6.157  16.561  -1.445
   26    HA   ALA   3           HA       ALA   3  -6.226  13.976  -2.200
   27   1HB   ALA   3          1HB       ALA   3  -6.268  15.850  -3.779
   28   2HB   ALA   3          2HB       ALA   3  -4.567  16.172  -3.486
   29   3HB   ALA   3          3HB       ALA   3  -5.055  14.688  -4.293
   30    H    CYS   4           H        CYS   4  -4.965  12.212  -2.147
   31    HA   CYS   4           HA       CYS   4  -2.544  12.137  -0.652
   32   1HB   CYS   4          1HB       CYS   4  -3.745  10.122  -2.540
   33   2HB   CYS   4          2HB       CYS   4  -2.458   9.799  -1.423
   34    H    THR   5           H        THR   5  -0.562  11.099  -1.410
   35    HA   THR   5           HA       THR   5   0.511  12.450  -3.754
   36    HB   THR   5           HB       THR   5   1.867  10.747  -1.567
   37    HG1  THR   5           HG1      THR   5   0.734  12.580  -0.803
   38   1HG2  THR   5          1HG2      THR   5   3.166  11.267  -3.684
   39   2HG2  THR   5          2HG2      THR   5   2.871  12.976  -3.383
   40   3HG2  THR   5          3HG2      THR   5   3.832  12.029  -2.240
   41    H    LEU   6           H        LEU   6   0.721  11.472  -5.548
   42    HA   LEU   6           HA       LEU   6  -0.102   8.732  -6.013
   43   1HB   LEU   6          1HB       LEU   6   1.299  10.658  -7.910
   44   2HB   LEU   6          2HB       LEU   6   0.387   9.236  -8.378
   45    HG   LEU   6           HG       LEU   6  -0.792  11.665  -6.930
   46   1HD1  LEU   6          1HD1      LEU   6  -1.051  10.772  -9.837
   47   2HD1  LEU   6          2HD1      LEU   6  -1.895  12.132  -9.110
   48   3HD1  LEU   6          3HD1      LEU   6  -0.148  12.171  -9.274
   49   1HD2  LEU   6          1HD2      LEU   6  -2.173   9.224  -8.149
   50   2HD2  LEU   6          2HD2      LEU   6  -2.035   9.550  -6.429
   51   3HD2  LEU   6          3HD2      LEU   6  -2.987  10.611  -7.443
   52    H    ASN   7           H        ASN   7   2.802   9.972  -4.946
   53    HA   ASN   7           HA       ASN   7   4.737   8.546  -6.289
   54   1HB   ASN   7          1HB       ASN   7   4.658   9.472  -3.392
   55   2HB   ASN   7          2HB       ASN   7   6.119   8.931  -4.198
   56   1HD2  ASN   7          2HD2      ASN   7   6.439  11.378  -3.336
   57   2HD2  ASN   7          1HD2      ASN   7   6.229  12.557  -4.538
   58    H    CYS   8           H        CYS   8   6.200   7.005  -4.939
   59    HA   CYS   8           HA       CYS   8   4.566   4.597  -4.290
   60   1HB   CYS   8          1HB       CYS   8   7.464   4.216  -4.500
   61   2HB   CYS   8          2HB       CYS   8   6.169   3.379  -5.296
   62    H    ASP   9           H        ASP   9   4.508   3.831  -2.300
   63    HA   ASP   9           HA       ASP   9   5.981   5.212  -0.153
   64   1HB   ASP   9          1HB       ASP   9   3.579   4.794   0.126
   65   2HB   ASP   9          2HB       ASP   9   3.822   3.087  -0.123
   66    HA   PRO  10           HA       PRO  10   9.321   2.468  -0.392
   67   1HB   PRO  10          1HB       PRO  10  10.030   2.390   2.390
   68   2HB   PRO  10          2HB       PRO  10  10.692   3.430   1.141
   69   1HG   PRO  10          1HG       PRO  10   8.745   4.084   3.239
   70   2HG   PRO  10          2HG       PRO  10   9.702   5.168   2.242
   71   1HD   PRO  10          1HD       PRO  10   6.938   4.729   1.975
   72   2HD   PRO  10          2HD       PRO  10   7.975   5.470   0.743
   73    H    ARG  11           H        ARG  11   6.982   1.769   2.025
   74    HA   ARG  11           HA       ARG  11   7.744  -1.057   2.306
   75   1HB   ARG  11          1HB       ARG  11   5.421   0.567   3.429
   76   2HB   ARG  11          2HB       ARG  11   5.591  -1.150   3.698
   77   1HG   ARG  11          1HG       ARG  11   6.503   0.061   5.615
   78   2HG   ARG  11          2HG       ARG  11   7.780  -0.802   4.797
   79   1HD   ARG  11          1HD       ARG  11   8.462   1.518   5.469
   80   2HD   ARG  11          2HD       ARG  11   8.581   1.287   3.742
   81    HE   ARG  11           HE       ARG  11   6.817   2.832   3.450
   82   1HH1  ARG  11          1HH1      ARG  11   7.036   1.817   6.760
   83   2HH1  ARG  11          2HH1      ARG  11   5.902   3.003   7.309
   84   1HH2  ARG  11          1HH2      ARG  11   5.400   4.329   4.125
   85   2HH2  ARG  11          2HH2      ARG  11   4.951   4.447   5.794
   86    H    ILE  12           H        ILE  12   5.399   0.855   0.548
   87    HA   ILE  12           HA       ILE  12   3.790  -1.426  -0.267
   88    HB   ILE  12           HB       ILE  12   3.992   1.405  -1.392
   89   1HG1  ILE  12          1HG1      ILE  12   3.193   1.253   0.997
   90   2HG1  ILE  12          2HG1      ILE  12   1.995   1.922  -0.092
   91   1HG2  ILE  12          1HG2      ILE  12   1.889  -0.717  -1.987
   92   2HG2  ILE  12          2HG2      ILE  12   1.794   0.970  -2.460
   93   3HG2  ILE  12          3HG2      ILE  12   3.051  -0.056  -3.119
   94   1HD1  ILE  12          1HD1      ILE  12   2.057  -0.953   0.849
   95   2HD1  ILE  12          2HD1      ILE  12   1.009   0.305   1.495
   96   3HD1  ILE  12          3HD1      ILE  12   0.823  -0.221  -0.163
   97    H    ALA  13           H        ALA  13   3.834  -2.568  -1.982
   98    HA   ALA  13           HA       ALA  13   6.077  -2.277  -3.952
   99   1HB   ALA  13          1HB       ALA  13   6.272  -4.250  -2.462
  100   2HB   ALA  13          2HB       ALA  13   4.698  -4.823  -2.981
  101   3HB   ALA  13          3HB       ALA  13   6.009  -4.755  -4.124
  102    H    TYR  14           H        TYR  14   3.000  -3.870  -3.490
  103    HA   TYR  14           HA       TYR  14   1.751  -2.598  -5.778
  104   1HB   TYR  14          1HB       TYR  14   1.348  -4.920  -6.935
  105   2HB   TYR  14          2HB       TYR  14   2.989  -4.305  -7.020
  106    HD1  TYR  14           HD1      TYR  14   0.810  -6.716  -5.203
  107    HD2  TYR  14           HD2      TYR  14   4.792  -5.408  -5.947
  108    HE1  TYR  14           HE1      TYR  14   1.683  -8.700  -4.065
  109    HE2  TYR  14           HE2      TYR  14   5.656  -7.386  -4.811
  110    HH   TYR  14           HH       TYR  14   4.701  -8.996  -2.941
  111    H    GLY  15           H        GLY  15  -0.413  -4.070  -6.192
  112   1HA   GLY  15          1HA       GLY  15  -1.483  -5.209  -3.764
  113   2HA   GLY  15          2HA       GLY  15  -2.075  -3.573  -4.013
  114    H    VAL  16           H        VAL  16  -3.576  -5.886  -3.846
  115    HA   VAL  16           HA       VAL  16  -4.663  -6.252  -6.610
  116    HB   VAL  16           HB       VAL  16  -5.306  -7.974  -4.162
  117   1HG1  VAL  16          1HG1      VAL  16  -5.569  -8.408  -7.175
  118   2HG1  VAL  16          2HG1      VAL  16  -6.034  -9.574  -5.944
  119   3HG1  VAL  16          3HG1      VAL  16  -6.912  -8.064  -6.101
  120   1HG2  VAL  16          1HG2      VAL  16  -2.857  -8.088  -4.730
  121   2HG2  VAL  16          2HG2      VAL  16  -3.679  -9.591  -5.098
  122   3HG2  VAL  16          3HG2      VAL  16  -3.278  -8.466  -6.385
  123    H    CYS  17           H        CYS  17  -6.267  -5.004  -7.068
  124    HA   CYS  17           HA       CYS  17  -8.213  -4.178  -4.967
  125   1HB   CYS  17          1HB       CYS  17  -7.569  -2.919  -7.628
  126   2HB   CYS  17          2HB       CYS  17  -8.788  -2.339  -6.529
  127    HA   PRO  18           HA       PRO  18 -11.239  -6.572  -7.275
  128   1HB   PRO  18          1HB       PRO  18 -13.507  -5.304  -6.167
  129   2HB   PRO  18          2HB       PRO  18 -12.713  -6.737  -5.536
  130   1HG   PRO  18          1HG       PRO  18 -12.646  -3.987  -4.497
  131   2HG   PRO  18          2HG       PRO  18 -12.210  -5.485  -3.691
  132   1HD   PRO  18          1HD       PRO  18 -10.400  -3.524  -4.715
  133   2HD   PRO  18          2HD       PRO  18  -9.979  -5.133  -4.101
  134    H    ARG  19           H        ARG  19 -12.727  -6.185  -8.961
  135    HA   ARG  19           HA       ARG  19 -13.439  -5.132 -10.897
  136   1HB   ARG  19          1HB       ARG  19 -13.472  -2.534  -9.281
  137   2HB   ARG  19          2HB       ARG  19 -14.515  -2.970 -10.611
  138   1HG   ARG  19          1HG       ARG  19 -15.963  -4.171  -9.317
  139   2HG   ARG  19          2HG       ARG  19 -14.722  -4.857  -8.293
  140   1HD   ARG  19          1HD       ARG  19 -15.673  -1.974  -8.147
  141   2HD   ARG  19          2HD       ARG  19 -16.172  -3.264  -7.043
  142    HE   ARG  19           HE       ARG  19 -13.457  -3.394  -6.860
  143   1HH1  ARG  19          1HH1      ARG  19 -15.682  -0.739  -6.657
  144   2HH1  ARG  19          2HH1      ARG  19 -14.663   0.168  -5.590
  145   1HH2  ARG  19          1HH2      ARG  19 -12.167  -2.268  -5.520
  146   2HH2  ARG  19          2HH2      ARG  19 -12.645  -0.710  -4.932
  147    H    SER  20           H        SER  20 -10.664  -5.211 -10.214
  148    HA   SER  20           HA       SER  20  -9.660  -3.336 -12.281
  149   1HB   SER  20          1HB       SER  20  -9.402  -2.128 -10.071
  150   2HB   SER  20          2HB       SER  20  -8.411  -3.474  -9.485
  151    HG   SER  20           HG       SER  20  -7.914  -2.004 -11.858
  152    H    GLU  21           H        GLU  21  -9.981  -5.769 -12.784
  153    HA   GLU  21           HA       GLU  21  -9.174  -7.869 -13.297
  154   1HB   GLU  21          1HB       GLU  21  -7.387  -7.646 -14.992
  155   2HB   GLU  21          2HB       GLU  21  -8.605  -6.408 -15.130
  156   1HG   GLU  21          1HG       GLU  21  -6.459  -5.360 -15.477
  157   2HG   GLU  21          2HG       GLU  21  -7.065  -4.783 -13.947
  158    H    GLU  22           H        GLU  22  -7.804  -6.963 -10.619
  159    HA   GLU  22           HA       GLU  22  -6.337  -7.889  -9.105
  160   1HB   GLU  22          1HB       GLU  22  -7.453 -10.004  -9.622
  161   2HB   GLU  22          2HB       GLU  22  -6.490 -10.245 -11.062
  162   1HG   GLU  22          1HG       GLU  22  -4.433 -10.475  -9.694
  163   2HG   GLU  22          2HG       GLU  22  -5.360 -10.183  -8.236
  164    H    LYS  23           H        LYS  23  -4.200  -7.622  -8.651
  165    HA   LYS  23           HA       LYS  23  -2.175  -8.100 -10.680
  166   1HB   LYS  23          1HB       LYS  23  -2.899  -5.850 -11.291
  167   2HB   LYS  23          2HB       LYS  23  -2.762  -5.296  -9.634
  168   1HG   LYS  23          1HG       LYS  23  -0.287  -5.678  -9.703
  169   2HG   LYS  23          2HG       LYS  23  -0.419  -6.260 -11.349
  170   1HD   LYS  23          1HD       LYS  23  -1.220  -3.465 -10.434
  171   2HD   LYS  23          2HD       LYS  23   0.323  -3.859 -11.162
  172   1HE   LYS  23          1HE       LYS  23  -0.865  -4.643 -13.227
  173   2HE   LYS  23          2HE       LYS  23  -2.399  -4.170 -12.507
  174   1HZ   LYS  23          1HZ       LYS  23  -1.578  -1.913 -12.328
  175   2HZ   LYS  23          2HZ       LYS  23  -0.119  -2.373 -13.065
  176   3HZ   LYS  23          3HZ       LYS  23  -1.575  -2.459 -13.938
  177    H    LYS  24           H        LYS  24  -0.578  -9.024  -9.761
  178    HA   LYS  24           HA       LYS  24   0.712  -8.055  -7.334
  179   1HB   LYS  24          1HB       LYS  24   0.470 -10.743  -6.551
  180   2HB   LYS  24          2HB       LYS  24  -0.529  -9.457  -5.932
  181   1HG   LYS  24          1HG       LYS  24  -2.298  -9.944  -7.575
  182   2HG   LYS  24          2HG       LYS  24  -1.282 -11.151  -8.340
  183   1HD   LYS  24          1HD       LYS  24  -1.295 -12.518  -6.300
  184   2HD   LYS  24          2HD       LYS  24  -2.185 -11.280  -5.430
  185   1HE   LYS  24          1HE       LYS  24  -4.091 -11.540  -6.980
  186   2HE   LYS  24          2HE       LYS  24  -3.209 -12.758  -7.897
  187   1HZ   LYS  24          1HZ       LYS  24  -3.905 -12.978  -5.028
  188   2HZ   LYS  24          2HZ       LYS  24  -4.788 -13.681  -6.298
  189   3HZ   LYS  24          3HZ       LYS  24  -3.191 -14.177  -5.997
  190    H    ASN  25           H        ASN  25   1.632  -7.920  -9.669
  191    HA   ASN  25           HA       ASN  25   3.987  -9.579  -9.745
  192   1HB   ASN  25          1HB       ASN  25   1.632 -10.298 -11.429
  193   2HB   ASN  25          2HB       ASN  25   3.087 -10.101 -12.383
  194   1HD2  ASN  25          2HD2      ASN  25   5.097 -11.270 -11.367
  195   2HD2  ASN  25          1HD2      ASN  25   4.806 -12.819 -10.735
  196    H    ASP  26           H        ASP  26   3.046  -6.809  -9.675
  197    HA   ASP  26           HA       ASP  26   4.948  -5.673 -11.579
  198   1HB   ASP  26          1HB       ASP  26   2.139  -5.771 -12.262
  199   2HB   ASP  26          2HB       ASP  26   2.464  -4.112 -11.802
  200    H    ARG  27           H        ARG  27   6.076  -4.501 -10.237
  201    HA   ARG  27           HA       ARG  27   5.068  -3.503  -7.706
  202   1HB   ARG  27          1HB       ARG  27   7.380  -4.231  -7.793
  203   2HB   ARG  27          2HB       ARG  27   7.720  -3.244  -9.197
  204   1HG   ARG  27          1HG       ARG  27   7.515  -1.161  -7.817
  205   2HG   ARG  27          2HG       ARG  27   7.053  -2.127  -6.433
  206   1HD   ARG  27          1HD       ARG  27   9.721  -2.300  -7.889
  207   2HD   ARG  27          2HD       ARG  27   9.447  -1.431  -6.384
  208    HE   ARG  27           HE       ARG  27   8.594  -4.084  -5.951
  209   1HH1  ARG  27          1HH1      ARG  27  11.473  -2.324  -6.741
  210   2HH1  ARG  27          2HH1      ARG  27  12.525  -3.459  -5.965
  211   1HH2  ARG  27          1HH2      ARG  27   9.933  -5.546  -4.951
  212   2HH2  ARG  27          2HH2      ARG  27  11.646  -5.301  -4.943
  213    H    ILE  28           H        ILE  28   3.325  -2.201  -8.538
  214    HA   ILE  28           HA       ILE  28   3.741   0.041 -10.242
  215    HB   ILE  28           HB       ILE  28   1.472   0.170  -8.309
  216   1HG1  ILE  28          1HG1      ILE  28   0.219  -1.499 -10.059
  217   2HG1  ILE  28          2HG1      ILE  28   1.827  -2.163 -10.225
  218   1HG2  ILE  28          1HG2      ILE  28   1.682   0.376 -11.306
  219   2HG2  ILE  28          2HG2      ILE  28   0.236   0.719 -10.362
  220   3HG2  ILE  28          3HG2      ILE  28   1.662   1.723 -10.174
  221   1HD1  ILE  28          1HD1      ILE  28   1.894  -2.574  -7.776
  222   2HD1  ILE  28          2HD1      ILE  28   0.287  -1.907  -7.615
  223   3HD1  ILE  28          3HD1      ILE  28   0.538  -3.391  -8.517
  224    H    CYS  29           H        CYS  29   3.061   2.275  -9.308
  225    HA   CYS  29           HA       CYS  29   4.626   2.804  -6.809
  226   1HB   CYS  29          1HB       CYS  29   5.641   3.738  -8.832
  227   2HB   CYS  29          2HB       CYS  29   4.154   4.551  -9.240
  228    H    THR  30           H        THR  30   3.177   2.917  -5.253
  229    HA   THR  30           HA       THR  30   1.210   5.082  -5.258
  230    HB   THR  30           HB       THR  30  -0.114   3.304  -6.388
  231    HG1  THR  30           HG1      THR  30  -1.705   3.095  -4.723
  232   1HG2  THR  30          1HG2      THR  30   1.173   1.290  -5.467
  233   2HG2  THR  30          2HG2      THR  30   0.428   1.594  -3.904
  234   3HG2  THR  30          3HG2      THR  30  -0.564   1.150  -5.280
  235    H    ASN  31           H        ASN  31   0.019   5.121  -3.186
  236    HA   ASN  31           HA       ASN  31   1.669   4.189  -0.870
  237   1HB   ASN  31          1HB       ASN  31   0.220   6.866  -1.147
  238   2HB   ASN  31          2HB       ASN  31   1.211   6.379   0.217
  239   1HD2  ASN  31          2HD2      ASN  31   1.606   8.704  -1.532
  240   2HD2  ASN  31          1HD2      ASN  31   3.154   8.516  -2.204
  241    H    CYS  32           H        CYS  32   0.411   4.266   1.195
  242    HA   CYS  32           HA       CYS  32  -1.941   2.651   1.014
  243   1HB   CYS  32          1HB       CYS  32  -0.472   2.800   3.041
  244   2HB   CYS  32          2HB       CYS  32  -1.057   4.416   3.332
  245    H    CYS  33           H        CYS  33  -1.404   6.062   1.447
  246    HA   CYS  33           HA       CYS  33  -4.090   6.909   1.889
  247   1HB   CYS  33          1HB       CYS  33  -2.014   8.251   2.291
  248   2HB   CYS  33          2HB       CYS  33  -1.804   8.408   0.573
  249    H    ALA  34           H        ALA  34  -2.077   6.795  -1.005
  250    HA   ALA  34           HA       ALA  34  -4.051   7.623  -2.891
  251   1HB   ALA  34          1HB       ALA  34  -1.617   7.589  -3.379
  252   2HB   ALA  34          2HB       ALA  34  -1.621   5.836  -3.288
  253   3HB   ALA  34          3HB       ALA  34  -2.490   6.649  -4.580
  254    H    GLY  35           H        GLY  35  -3.742   4.776  -1.135
  255   1HA   GLY  35          1HA       GLY  35  -4.575   2.678  -2.656
  256   2HA   GLY  35          2HA       GLY  35  -5.015   2.904  -0.970
  257    H    THR  36           H        THR  36  -6.652   1.641  -2.970
  258    HA   THR  36           HA       THR  36  -8.907   3.552  -3.153
  259    HB   THR  36           HB       THR  36  -8.711   1.119  -4.874
  260    HG1  THR  36           HG1      THR  36  -7.303   3.570  -4.999
  261   1HG2  THR  36          1HG2      THR  36  -9.616   3.995  -5.475
  262   2HG2  THR  36          2HG2      THR  36  -9.753   2.634  -6.572
  263   3HG2  THR  36          3HG2      THR  36 -10.746   2.699  -5.139
  264    H    LYS  37           H        LYS  37 -10.997   1.907  -3.645
  265    HA   LYS  37           HA       LYS  37 -11.560   0.728  -1.059
  266   1HB   LYS  37          1HB       LYS  37 -13.548  -0.079  -3.033
  267   2HB   LYS  37          2HB       LYS  37 -13.719   1.014  -1.684
  268   1HG   LYS  37          1HG       LYS  37 -12.756   2.851  -3.168
  269   2HG   LYS  37          2HG       LYS  37 -12.812   1.711  -4.495
  270   1HD   LYS  37          1HD       LYS  37 -15.258   1.438  -4.191
  271   2HD   LYS  37          2HD       LYS  37 -15.222   2.550  -2.834
  272   1HE   LYS  37          1HE       LYS  37 -14.426   3.260  -5.692
  273   2HE   LYS  37          2HE       LYS  37 -15.939   3.705  -4.916
  274   1HZ   LYS  37          1HZ       LYS  37 -14.607   4.866  -3.210
  275   2HZ   LYS  37          2HZ       LYS  37 -13.218   4.559  -4.135
  276   3HZ   LYS  37          3HZ       LYS  37 -14.462   5.526  -4.768
  277    H    GLY  38           H        GLY  38 -11.836  -1.277  -0.455
  278   1HA   GLY  38          1HA       GLY  38 -11.540  -3.560  -0.307
  279   2HA   GLY  38          2HA       GLY  38 -12.007  -3.629  -1.992
  280    H    CYS  39           H        CYS  39  -9.262  -1.755  -1.925
  281    HA   CYS  39           HA       CYS  39  -7.663  -3.807  -3.100
  282   1HB   CYS  39          1HB       CYS  39  -6.837  -1.134  -2.013
  283   2HB   CYS  39          2HB       CYS  39  -5.907  -2.130  -3.085
  284    H    LYS  40           H        LYS  40  -5.545  -4.367  -2.457
  285    HA   LYS  40           HA       LYS  40  -4.929  -4.467   0.431
  286   1HB   LYS  40          1HB       LYS  40  -6.072  -6.656  -1.029
  287   2HB   LYS  40          2HB       LYS  40  -4.371  -7.032  -0.964
  288   1HG   LYS  40          1HG       LYS  40  -5.352  -8.014   0.978
  289   2HG   LYS  40          2HG       LYS  40  -4.451  -6.618   1.538
  290   1HD   LYS  40          1HD       LYS  40  -6.575  -5.268   1.533
  291   2HD   LYS  40          2HD       LYS  40  -7.459  -6.687   1.001
  292   1HE   LYS  40          1HE       LYS  40  -6.721  -7.877   3.052
  293   2HE   LYS  40          2HE       LYS  40  -5.886  -6.413   3.575
  294   1HZ   LYS  40          1HZ       LYS  40  -8.219  -5.362   3.196
  295   2HZ   LYS  40          2HZ       LYS  40  -8.755  -6.958   3.414
  296   3HZ   LYS  40          3HZ       LYS  40  -7.866  -6.186   4.637
  297    H    TYR  41           H        TYR  41  -3.179  -3.076   0.129
  298    HA   TYR  41           HA       TYR  41  -1.275  -3.651  -2.017
  299   1HB   TYR  41          1HB       TYR  41  -1.587  -1.343  -0.071
  300   2HB   TYR  41          2HB       TYR  41  -0.304  -1.492  -1.247
  301    HD1  TYR  41           HD1      TYR  41  -0.839  -1.460  -3.710
  302    HD2  TYR  41           HD2      TYR  41  -3.797  -0.658  -0.758
  303    HE1  TYR  41           HE1      TYR  41  -2.275  -0.458  -5.421
  304    HE2  TYR  41           HE2      TYR  41  -5.228   0.347  -2.476
  305    HH   TYR  41           HH       TYR  41  -5.392   1.018  -4.572
  306    H    PHE  42           H        PHE  42   0.371  -4.922  -1.602
  307    HA   PHE  42           HA       PHE  42   1.518  -5.085   1.124
  308   1HB   PHE  42          1HB       PHE  42   2.328  -7.318  -0.527
  309   2HB   PHE  42          2HB       PHE  42   1.403  -7.281   0.944
  310    HD1  PHE  42           HD1      PHE  42   0.959  -6.747  -2.706
  311    HD2  PHE  42           HD2      PHE  42  -0.719  -7.975   0.987
  312    HE1  PHE  42           HE1      PHE  42  -1.074  -7.495  -3.883
  313    HE2  PHE  42           HE2      PHE  42  -2.771  -8.728  -0.165
  314    HZ   PHE  42           HZ       PHE  42  -2.948  -8.486  -2.589
  315    H    SER  43           H        SER  43   3.671  -5.831   1.186
  316    HA   SER  43           HA       SER  43   5.472  -4.187  -0.369
  317   1HB   SER  43          1HB       SER  43   6.015  -6.388   1.648
  318   2HB   SER  43          2HB       SER  43   7.089  -5.096   1.171
  319    HG   SER  43           HG       SER  43   6.123  -3.778   2.449
  320    H    ASP  44           H        ASP  44   7.502  -5.454  -0.988
  321    HA   ASP  44           HA       ASP  44   6.681  -7.587  -2.903
  322   1HB   ASP  44          1HB       ASP  44   8.331  -5.345  -3.205
  323   2HB   ASP  44          2HB       ASP  44   9.502  -6.632  -3.023
  324    H    ASP  45           H        ASP  45   7.503  -7.577   0.103
  325    HA   ASP  45           HA       ASP  45   8.393 -10.287   0.274
  326   1HB   ASP  45          1HB       ASP  45  10.593  -9.270  -0.421
  327   2HB   ASP  45          2HB       ASP  45  10.496  -8.159   0.932
  328    H    GLY  46           H        GLY  46   7.976  -7.147   1.743
  329   1HA   GLY  46          1HA       GLY  46   7.867  -8.106   4.469
  330   2HA   GLY  46          2HA       GLY  46   7.612  -6.457   3.881
  331    H    THR  47           H        THR  47   5.920  -8.734   2.184
  332    HA   THR  47           HA       THR  47   3.699  -9.025   1.720
  333    HB   THR  47           HB       THR  47   4.388 -10.676   3.536
  334    HG1  THR  47           HG1      THR  47   2.067 -10.076   2.498
  335   1HG2  THR  47          1HG2      THR  47   2.614  -8.908   5.329
  336   2HG2  THR  47          2HG2      THR  47   3.242 -10.494   5.740
  337   3HG2  THR  47          3HG2      THR  47   4.337  -9.145   5.579
  338    H    PHE  48           H        PHE  48   1.385  -8.790   3.094
  339    HA   PHE  48           HA       PHE  48   0.175  -6.521   2.480
  340   1HB   PHE  48          1HB       PHE  48  -1.083  -8.283   3.456
  341   2HB   PHE  48          2HB       PHE  48  -0.218  -8.175   4.982
  342    HD1  PHE  48           HD1      PHE  48  -2.648  -6.352   2.781
  343    HD2  PHE  48           HD2      PHE  48  -0.844  -6.613   6.631
  344    HE1  PHE  48           HE1      PHE  48  -4.249  -4.705   3.659
  345    HE2  PHE  48           HE2      PHE  48  -2.436  -4.966   7.500
  346    HZ   PHE  48           HZ       PHE  48  -4.125  -4.005   6.024
  347    H    VAL  49           H        VAL  49   0.561  -4.529   2.621
  348    HA   VAL  49           HA       VAL  49   1.691  -3.293   5.096
  349    HB   VAL  49           HB       VAL  49   1.397  -2.143   2.315
  350   1HG1  VAL  49          1HG1      VAL  49   2.969  -1.105   4.728
  351   2HG1  VAL  49          2HG1      VAL  49   2.998  -0.386   3.130
  352   3HG1  VAL  49          3HG1      VAL  49   1.520  -0.363   4.069
  353   1HG2  VAL  49          1HG2      VAL  49   3.840  -3.277   3.704
  354   2HG2  VAL  49          2HG2      VAL  49   2.995  -4.001   2.344
  355   3HG2  VAL  49          3HG2      VAL  49   3.833  -2.478   2.138
  356    H    CYS  50           H        CYS  50  -0.985  -2.828   2.743
  357    HA   CYS  50           HA       CYS  50  -2.646  -1.635   4.852
  358   1HB   CYS  50          1HB       CYS  50  -1.240  -0.153   2.840
  359   2HB   CYS  50          2HB       CYS  50  -2.942   0.203   2.807
  360    H    GLU  51           H        GLU  51  -4.877  -1.115   3.943
  361    HA   GLU  51           HA       GLU  51  -5.576  -3.010   1.750
  362   1HB   GLU  51          1HB       GLU  51  -7.939  -2.644   3.307
  363   2HB   GLU  51          2HB       GLU  51  -6.856  -4.007   3.289
  364   1HG   GLU  51          1HG       GLU  51  -5.504  -2.962   5.122
  365   2HG   GLU  51          2HG       GLU  51  -6.736  -1.726   5.245
  366    H    GLY  52           H        GLY  52  -4.838  -0.767   0.874
  367   1HA   GLY  52          1HA       GLY  52  -5.401   1.048  -0.447
  368   2HA   GLY  52          2HA       GLY  52  -6.991   0.323  -0.581
  369    H    GLU  53           H        GLU  53  -7.869   2.515  -0.599
  370    HA   GLU  53           HA       GLU  53  -8.540   3.405   2.089
  371   1HB   GLU  53          1HB       GLU  53  -6.316   4.464   1.761
  372   2HB   GLU  53          2HB       GLU  53  -6.901   5.264   0.315
  373   1HG   GLU  53          1HG       GLU  53  -8.502   6.585   1.615
  374   2HG   GLU  53          2HG       GLU  53  -8.178   5.650   3.066
  375    H    SER  54           H        SER  54  -9.184   3.735  -1.399
  376    HA   SER  54           HA       SER  54 -11.145   5.862  -0.936
  377   1HB   SER  54          1HB       SER  54 -10.878   4.019  -3.360
  378   2HB   SER  54          2HB       SER  54 -11.791   5.526  -3.285
  379    HG   SER  54           HG       SER  54  -9.305   5.357  -3.851
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  -4.454   7.523   2.155
    2   2H    MET   1          2H        MET   1  -3.441   8.828   2.549
    3   3H    MET   1          3H        MET   1  -4.468   8.162   3.725
    4    HA   MET   1           HA       MET   1  -6.195   9.346   3.106
    5   1HB   MET   1          1HB       MET   1  -3.814  10.781   2.436
    6   2HB   MET   1          2HB       MET   1  -4.902  11.083   1.101
    7   1HG   MET   1          1HG       MET   1  -6.672  11.720   2.757
    8   2HG   MET   1          2HG       MET   1  -5.512  11.494   4.037
    9   1HE   MET   1          1HE       MET   1  -5.902  13.335   0.610
   10   2HE   MET   1          2HE       MET   1  -7.189  13.898   1.705
   11   3HE   MET   1          3HE       MET   1  -5.921  14.993   1.179
   12    H    LYS   2           H        LYS   2  -7.319  10.486   1.107
   13    HA   LYS   2           HA       LYS   2  -7.998   8.302  -0.696
   14   1HB   LYS   2          1HB       LYS   2  -9.056  11.146  -0.521
   15   2HB   LYS   2          2HB       LYS   2  -9.697   9.885  -1.558
   16   1HG   LYS   2          1HG       LYS   2 -10.160   8.474   0.461
   17   2HG   LYS   2          2HG       LYS   2  -9.500   9.726   1.486
   18   1HD   LYS   2          1HD       LYS   2 -11.882   9.953   1.598
   19   2HD   LYS   2          2HD       LYS   2 -11.307  11.292   0.632
   20   1HE   LYS   2          1HE       LYS   2 -12.397   8.709  -0.572
   21   2HE   LYS   2          2HE       LYS   2 -13.375  10.138  -0.293
   22   1HZ   LYS   2          1HZ       LYS   2 -11.274  11.129  -1.646
   23   2HZ   LYS   2          2HZ       LYS   2 -11.468   9.599  -2.359
   24   3HZ   LYS   2          3HZ       LYS   2 -12.766  10.694  -2.326
   25    H    ALA   3           H        ALA   3  -6.602   7.879  -2.172
   26    HA   ALA   3           HA       ALA   3  -5.221   7.995  -4.013
   27   1HB   ALA   3          1HB       ALA   3  -7.289  10.089  -4.777
   28   2HB   ALA   3          2HB       ALA   3  -6.188   9.306  -5.900
   29   3HB   ALA   3          3HB       ALA   3  -7.398   8.360  -5.053
   30    H    CYS   4           H        CYS   4  -3.382   8.733  -3.009
   31    HA   CYS   4           HA       CYS   4  -2.659  11.515  -2.733
   32   1HB   CYS   4          1HB       CYS   4  -1.374   8.850  -2.395
   33   2HB   CYS   4          2HB       CYS   4  -0.280  10.181  -2.571
   34    H    THR   5           H        THR   5  -0.112  11.670  -3.663
   35    HA   THR   5           HA       THR   5  -0.384  12.609  -6.306
   36    HB   THR   5           HB       THR   5   2.171  12.002  -4.702
   37    HG1  THR   5           HG1      THR   5   0.643  13.178  -3.542
   38   1HG2  THR   5          1HG2      THR   5   1.449  14.249  -6.654
   39   2HG2  THR   5          2HG2      THR   5   3.003  14.010  -5.860
   40   3HG2  THR   5          3HG2      THR   5   2.477  12.897  -7.112
   41    H    LEU   6           H        LEU   6  -0.486   9.500  -5.560
   42    HA   LEU   6           HA       LEU   6  -0.257   7.528  -6.712
   43   1HB   LEU   6          1HB       LEU   6   0.630   9.218  -9.101
   44   2HB   LEU   6          2HB       LEU   6  -0.003   7.591  -9.136
   45    HG   LEU   6           HG       LEU   6  -1.588  10.038  -8.223
   46   1HD1  LEU   6          1HD1      LEU   6  -1.777   8.377 -10.769
   47   2HD1  LEU   6          2HD1      LEU   6  -2.852   9.693 -10.327
   48   3HD1  LEU   6          3HD1      LEU   6  -1.161  10.019 -10.660
   49   1HD2  LEU   6          1HD2      LEU   6  -2.487   7.147  -8.634
   50   2HD2  LEU   6          2HD2      LEU   6  -2.343   7.948  -7.077
   51   3HD2  LEU   6          3HD2      LEU   6  -3.537   8.496  -8.233
   52    H    ASN   7           H        ASN   7   2.237   9.284  -5.726
   53    HA   ASN   7           HA       ASN   7   4.454   8.255  -7.038
   54   1HB   ASN   7          1HB       ASN   7   4.186   9.264  -4.169
   55   2HB   ASN   7          2HB       ASN   7   5.708   9.078  -5.024
   56   1HD2  ASN   7          2HD2      ASN   7   4.964  11.586  -4.034
   57   2HD2  ASN   7          1HD2      ASN   7   4.610  12.626  -5.328
   58    H    CYS   8           H        CYS   8   6.136   7.016  -5.574
   59    HA   CYS   8           HA       CYS   8   4.852   4.450  -4.761
   60   1HB   CYS   8          1HB       CYS   8   7.760   4.461  -5.123
   61   2HB   CYS   8          2HB       CYS   8   6.551   3.366  -5.721
   62    H    ASP   9           H        ASP   9   4.967   3.691  -2.773
   63    HA   ASP   9           HA       ASP   9   6.505   5.205  -0.746
   64   1HB   ASP   9          1HB       ASP   9   4.110   4.816  -0.311
   65   2HB   ASP   9          2HB       ASP   9   4.324   3.102  -0.549
   66    HA   PRO  10           HA       PRO  10   9.716   2.341  -1.433
   67   1HB   PRO  10          1HB       PRO  10  10.922   2.427   1.163
   68   2HB   PRO  10          2HB       PRO  10  11.342   3.396  -0.241
   69   1HG   PRO  10          1HG       PRO  10   9.797   4.164   2.143
   70   2HG   PRO  10          2HG       PRO  10  10.580   5.196   0.955
   71   1HD   PRO  10          1HD       PRO  10   7.802   4.789   1.176
   72   2HD   PRO  10          2HD       PRO  10   8.623   5.458  -0.246
   73    H    ARG  11           H        ARG  11   7.831   1.923   1.411
   74    HA   ARG  11           HA       ARG  11   8.542  -0.847   1.902
   75   1HB   ARG  11          1HB       ARG  11   7.990   0.367   3.791
   76   2HB   ARG  11          2HB       ARG  11   6.711   1.249   3.035
   77   1HG   ARG  11          1HG       ARG  11   5.593  -1.271   3.015
   78   2HG   ARG  11          2HG       ARG  11   6.700  -1.442   4.365
   79   1HD   ARG  11          1HD       ARG  11   4.499  -0.581   5.100
   80   2HD   ARG  11          2HD       ARG  11   5.732   0.648   5.373
   81    HE   ARG  11           HE       ARG  11   4.562   0.924   2.749
   82   1HH1  ARG  11          1HH1      ARG  11   3.962   1.502   6.109
   83   2HH1  ARG  11          2HH1      ARG  11   2.882   2.820   5.802
   84   1HH2  ARG  11          1HH2      ARG  11   3.210   2.578   2.333
   85   2HH2  ARG  11          2HH2      ARG  11   2.445   3.440   3.626
   86    H    ILE  12           H        ILE  12   5.976   0.893   0.222
   87    HA   ILE  12           HA       ILE  12   4.306  -1.448  -0.215
   88    HB   ILE  12           HB       ILE  12   4.358   1.268  -1.595
   89   1HG1  ILE  12          1HG1      ILE  12   3.770   1.321   0.861
   90   2HG1  ILE  12          2HG1      ILE  12   2.511   1.940  -0.183
   91   1HG2  ILE  12          1HG2      ILE  12   2.236  -0.903  -1.825
   92   2HG2  ILE  12          2HG2      ILE  12   2.053   0.742  -2.410
   93   3HG2  ILE  12          3HG2      ILE  12   3.268  -0.304  -3.110
   94   1HD1  ILE  12          1HD1      ILE  12   2.592  -0.830   1.033
   95   2HD1  ILE  12          2HD1      ILE  12   1.597   0.519   1.570
   96   3HD1  ILE  12          3HD1      ILE  12   1.309  -0.208   0.002
   97    H    ALA  13           H        ALA  13   3.982  -2.575  -2.076
   98    HA   ALA  13           HA       ALA  13   6.112  -2.442  -4.179
   99   1HB   ALA  13          1HB       ALA  13   4.685  -4.909  -3.086
  100   2HB   ALA  13          2HB       ALA  13   5.874  -4.912  -4.373
  101   3HB   ALA  13          3HB       ALA  13   6.343  -4.429  -2.759
  102    H    TYR  14           H        TYR  14   2.955  -3.846  -3.468
  103    HA   TYR  14           HA       TYR  14   1.658  -2.408  -5.649
  104   1HB   TYR  14          1HB       TYR  14   1.193  -4.345  -7.126
  105   2HB   TYR  14          2HB       TYR  14   2.924  -4.184  -6.932
  106    HD1  TYR  14           HD1      TYR  14   4.133  -5.734  -5.363
  107    HD2  TYR  14           HD2      TYR  14   0.049  -6.297  -6.412
  108    HE1  TYR  14           HE1      TYR  14   4.260  -8.041  -4.600
  109    HE2  TYR  14           HE2      TYR  14   0.167  -8.605  -5.653
  110    HH   TYR  14           HH       TYR  14   1.965 -10.359  -5.348
  111    H    GLY  15           H        GLY  15  -0.486  -3.953  -6.148
  112   1HA   GLY  15          1HA       GLY  15  -1.565  -5.038  -3.670
  113   2HA   GLY  15          2HA       GLY  15  -2.287  -3.502  -4.135
  114    H    VAL  16           H        VAL  16  -3.903  -5.505  -3.877
  115    HA   VAL  16           HA       VAL  16  -4.682  -6.230  -6.687
  116    HB   VAL  16           HB       VAL  16  -4.708  -7.996  -4.188
  117   1HG1  VAL  16          1HG1      VAL  16  -6.091  -8.559  -6.844
  118   2HG1  VAL  16          2HG1      VAL  16  -5.927  -9.699  -5.518
  119   3HG1  VAL  16          3HG1      VAL  16  -6.907  -8.261  -5.318
  120   1HG2  VAL  16          1HG2      VAL  16  -2.611  -8.004  -5.539
  121   2HG2  VAL  16          2HG2      VAL  16  -3.425  -9.554  -5.632
  122   3HG2  VAL  16          3HG2      VAL  16  -3.533  -8.426  -6.969
  123    H    CYS  17           H        CYS  17  -6.647  -5.554  -7.171
  124    HA   CYS  17           HA       CYS  17  -8.401  -4.536  -4.991
  125   1HB   CYS  17          1HB       CYS  17  -8.250  -3.902  -7.920
  126   2HB   CYS  17          2HB       CYS  17  -9.404  -3.170  -6.843
  127    HA   PRO  18           HA       PRO  18 -11.777  -7.335  -5.867
  128   1HB   PRO  18          1HB       PRO  18 -13.707  -5.134  -6.181
  129   2HB   PRO  18          2HB       PRO  18 -13.628  -6.380  -4.947
  130   1HG   PRO  18          1HG       PRO  18 -12.961  -3.680  -4.578
  131   2HG   PRO  18          2HG       PRO  18 -12.527  -4.992  -3.494
  132   1HD   PRO  18          1HD       PRO  18 -10.802  -3.485  -5.340
  133   2HD   PRO  18          2HD       PRO  18 -10.336  -4.547  -4.002
  134    H    ARG  19           H        ARG  19 -11.938  -8.306  -7.722
  135    HA   ARG  19           HA       ARG  19 -11.920  -8.754 -10.000
  136   1HB   ARG  19          1HB       ARG  19 -14.196  -6.884  -9.415
  137   2HB   ARG  19          2HB       ARG  19 -13.848  -7.144 -11.115
  138   1HG   ARG  19          1HG       ARG  19 -13.849  -9.636 -10.681
  139   2HG   ARG  19          2HG       ARG  19 -14.394  -9.299  -9.046
  140   1HD   ARG  19          1HD       ARG  19 -15.791  -8.385 -11.562
  141   2HD   ARG  19          2HD       ARG  19 -16.252  -9.803 -10.606
  142    HE   ARG  19           HE       ARG  19 -16.168  -7.592  -8.841
  143   1HH1  ARG  19          1HH1      ARG  19 -17.943  -8.663 -11.617
  144   2HH1  ARG  19          2HH1      ARG  19 -19.387  -7.825 -11.160
  145   1HH2  ARG  19          1HH2      ARG  19 -17.985  -6.520  -8.242
  146   2HH2  ARG  19          2HH2      ARG  19 -19.413  -6.592  -9.221
  147    H    SER  20           H        SER  20  -9.925  -7.533  -9.507
  148    HA   SER  20           HA       SER  20  -8.870  -6.322 -11.840
  149   1HB   SER  20          1HB       SER  20  -9.503  -4.413  -9.513
  150   2HB   SER  20          2HB       SER  20  -8.209  -4.050 -10.666
  151    HG   SER  20           HG       SER  20  -9.790  -4.328 -12.323
  152    H    GLU  21           H        GLU  21  -7.069  -7.516 -11.665
  153    HA   GLU  21           HA       GLU  21  -5.989  -8.362  -9.166
  154   1HB   GLU  21          1HB       GLU  21  -4.761  -8.472 -11.945
  155   2HB   GLU  21          2HB       GLU  21  -4.165  -9.334 -10.537
  156   1HG   GLU  21          1HG       GLU  21  -6.317 -10.560 -10.342
  157   2HG   GLU  21          2HG       GLU  21  -6.930  -9.718 -11.757
  158    H    GLU  22           H        GLU  22  -5.390  -5.695 -11.264
  159    HA   GLU  22           HA       GLU  22  -3.900  -3.914 -11.224
  160   1HB   GLU  22          1HB       GLU  22  -5.270  -3.437  -9.262
  161   2HB   GLU  22          2HB       GLU  22  -4.331  -4.514  -8.260
  162   1HG   GLU  22          1HG       GLU  22  -2.364  -2.992  -8.430
  163   2HG   GLU  22          2HG       GLU  22  -3.268  -1.944  -9.510
  164    H    LYS  23           H        LYS  23  -2.237  -5.131 -12.266
  165    HA   LYS  23           HA       LYS  23  -0.314  -6.395 -12.441
  166   1HB   LYS  23          1HB       LYS  23  -0.080  -3.567 -11.596
  167   2HB   LYS  23          2HB       LYS  23   1.398  -4.482 -11.636
  168   1HG   LYS  23          1HG       LYS  23   0.981  -5.181 -13.971
  169   2HG   LYS  23          2HG       LYS  23  -0.528  -4.296 -13.972
  170   1HD   LYS  23          1HD       LYS  23   2.180  -2.972 -13.516
  171   2HD   LYS  23          2HD       LYS  23   1.446  -3.126 -15.096
  172   1HE   LYS  23          1HE       LYS  23   0.914  -0.911 -14.290
  173   2HE   LYS  23          2HE       LYS  23  -0.570  -1.841 -14.200
  174   1HZ   LYS  23          1HZ       LYS  23   1.070  -1.911 -11.824
  175   2HZ   LYS  23          2HZ       LYS  23   0.415  -0.394 -12.206
  176   3HZ   LYS  23          3HZ       LYS  23  -0.611  -1.728 -11.991
  177    H    LYS  24           H        LYS  24  -0.361  -8.142 -11.057
  178    HA   LYS  24           HA       LYS  24   1.221  -7.835  -8.528
  179   1HB   LYS  24          1HB       LYS  24  -0.180 -10.219  -8.130
  180   2HB   LYS  24          2HB       LYS  24  -0.741  -8.665  -7.600
  181   1HG   LYS  24          1HG       LYS  24  -2.574  -9.724  -8.732
  182   2HG   LYS  24          2HG       LYS  24  -2.063  -8.339  -9.660
  183   1HD   LYS  24          1HD       LYS  24  -2.290  -9.931 -11.367
  184   2HD   LYS  24          2HD       LYS  24  -0.596 -10.119 -11.005
  185   1HE   LYS  24          1HE       LYS  24  -2.787 -11.862  -9.812
  186   2HE   LYS  24          2HE       LYS  24  -1.798 -12.307 -11.191
  187   1HZ   LYS  24          1HZ       LYS  24   0.159 -12.030  -9.727
  188   2HZ   LYS  24          2HZ       LYS  24  -0.906 -11.851  -8.412
  189   3HZ   LYS  24          3HZ       LYS  24  -0.878 -13.299  -9.295
  190    H    ASN  25           H        ASN  25   2.685  -7.980 -10.604
  191    HA   ASN  25           HA       ASN  25   4.030 -10.526 -10.313
  192   1HB   ASN  25          1HB       ASN  25   2.226 -10.021 -12.629
  193   2HB   ASN  25          2HB       ASN  25   3.826 -10.505 -13.151
  194   1HD2  ASN  25          2HD2      ASN  25   0.865 -11.626 -11.767
  195   2HD2  ASN  25          1HD2      ASN  25   1.341 -13.239 -11.534
  196    H    ASP  26           H        ASP  26   4.406  -7.499 -10.371
  197    HA   ASP  26           HA       ASP  26   7.200  -7.567 -10.965
  198   1HB   ASP  26          1HB       ASP  26   5.552  -7.244 -13.295
  199   2HB   ASP  26          2HB       ASP  26   6.192  -5.651 -13.006
  200    H    ARG  27           H        ARG  27   5.796  -6.732  -8.885
  201    HA   ARG  27           HA       ARG  27   5.144  -4.938  -7.508
  202   1HB   ARG  27          1HB       ARG  27   7.222  -5.731  -6.706
  203   2HB   ARG  27          2HB       ARG  27   8.121  -4.998  -8.005
  204   1HG   ARG  27          1HG       ARG  27   6.800  -2.915  -6.429
  205   2HG   ARG  27          2HG       ARG  27   7.686  -3.986  -5.386
  206   1HD   ARG  27          1HD       ARG  27   9.228  -2.234  -5.975
  207   2HD   ARG  27          2HD       ARG  27   9.716  -3.632  -6.902
  208    HE   ARG  27           HE       ARG  27   8.870  -2.627  -8.898
  209   1HH1  ARG  27          1HH1      ARG  27   8.507  -0.599  -6.087
  210   2HH1  ARG  27          2HH1      ARG  27   8.241   0.823  -7.033
  211   1HH2  ARG  27          1HH2      ARG  27   8.528  -0.831 -10.079
  212   2HH2  ARG  27          2HH2      ARG  27   8.252   0.696  -9.308
  213    H    ILE  28           H        ILE  28   3.890  -3.350  -8.128
  214    HA   ILE  28           HA       ILE  28   4.445  -1.407 -10.117
  215    HB   ILE  28           HB       ILE  28   2.461  -0.953  -7.916
  216   1HG1  ILE  28          1HG1      ILE  28   1.836  -2.750 -10.341
  217   2HG1  ILE  28          2HG1      ILE  28   2.308  -3.524  -8.869
  218   1HG2  ILE  28          1HG2      ILE  28   2.380  -0.557 -10.905
  219   2HG2  ILE  28          2HG2      ILE  28   1.053  -0.176  -9.818
  220   3HG2  ILE  28          3HG2      ILE  28   2.540   0.711  -9.702
  221   1HD1  ILE  28          1HD1      ILE  28   0.398  -2.438  -7.681
  222   2HD1  ILE  28          2HD1      ILE  28  -0.149  -1.775  -9.212
  223   3HD1  ILE  28          3HD1      ILE  28  -0.082  -3.509  -8.978
  224    H    CYS  29           H        CYS  29   4.067   1.021  -9.237
  225    HA   CYS  29           HA       CYS  29   5.944   1.563  -6.977
  226   1HB   CYS  29          1HB       CYS  29   6.677   1.817  -9.517
  227   2HB   CYS  29          2HB       CYS  29   5.715   3.252  -9.480
  228    H    THR  30           H        THR  30   3.848   1.547  -5.879
  229    HA   THR  30           HA       THR  30   2.443   4.172  -6.093
  230    HB   THR  30           HB       THR  30   1.081   2.411  -7.255
  231    HG1  THR  30           HG1      THR  30  -0.768   2.783  -5.907
  232   1HG2  THR  30          1HG2      THR  30   1.783   0.434  -5.769
  233   2HG2  THR  30          2HG2      THR  30   0.878   1.161  -4.450
  234   3HG2  THR  30          3HG2      THR  30   0.041   0.615  -5.892
  235    H    ASN  31           H        ASN  31   0.903   4.424  -4.203
  236    HA   ASN  31           HA       ASN  31   2.240   3.733  -1.610
  237   1HB   ASN  31          1HB       ASN  31   0.443   6.139  -2.159
  238   2HB   ASN  31          2HB       ASN  31   1.416   5.877  -0.731
  239   1HD2  ASN  31          2HD2      ASN  31   1.338   7.996  -2.948
  240   2HD2  ASN  31          1HD2      ASN  31   2.982   8.175  -3.323
  241    H    CYS  32           H        CYS  32   0.624   3.783   0.239
  242    HA   CYS  32           HA       CYS  32  -1.577   1.979  -0.353
  243   1HB   CYS  32          1HB       CYS  32  -0.558   1.824   1.851
  244   2HB   CYS  32          2HB       CYS  32  -0.792   3.531   2.148
  245    H    CYS  33           H        CYS  33  -1.179   5.341   0.430
  246    HA   CYS  33           HA       CYS  33  -3.927   6.155   0.485
  247   1HB   CYS  33          1HB       CYS  33  -2.250   7.486   1.542
  248   2HB   CYS  33          2HB       CYS  33  -1.298   7.569   0.088
  249    H    ALA  34           H        ALA  34  -1.467   6.130  -2.004
  250    HA   ALA  34           HA       ALA  34  -2.926   7.393  -4.109
  251   1HB   ALA  34          1HB       ALA  34  -0.806   5.218  -4.257
  252   2HB   ALA  34          2HB       ALA  34  -1.318   6.218  -5.601
  253   3HB   ALA  34          3HB       ALA  34  -0.480   6.945  -4.233
  254    H    GLY  35           H        GLY  35  -2.619   4.109  -3.030
  255   1HA   GLY  35          1HA       GLY  35  -4.099   2.772  -4.961
  256   2HA   GLY  35          2HA       GLY  35  -3.842   2.200  -3.325
  257    H    THR  36           H        THR  36  -6.236   2.075  -5.029
  258    HA   THR  36           HA       THR  36  -8.193   3.860  -3.805
  259    HB   THR  36           HB       THR  36  -9.122   1.372  -5.163
  260    HG1  THR  36           HG1      THR  36  -7.290   2.070  -6.385
  261   1HG2  THR  36          1HG2      THR  36  -9.762   4.337  -5.628
  262   2HG2  THR  36          2HG2      THR  36 -10.620   2.984  -6.344
  263   3HG2  THR  36          3HG2      THR  36 -10.733   3.275  -4.623
  264    H    LYS  37           H        LYS  37 -10.221   2.817  -2.975
  265    HA   LYS  37           HA       LYS  37  -9.533   1.352  -0.554
  266   1HB   LYS  37          1HB       LYS  37 -11.086   2.946  -0.032
  267   2HB   LYS  37          2HB       LYS  37 -11.788   2.978  -1.619
  268   1HG   LYS  37          1HG       LYS  37 -12.455   0.610   0.118
  269   2HG   LYS  37          2HG       LYS  37 -13.105   2.154   0.564
  270   1HD   LYS  37          1HD       LYS  37 -14.694   0.855  -0.806
  271   2HD   LYS  37          2HD       LYS  37 -14.295   2.391  -1.523
  272   1HE   LYS  37          1HE       LYS  37 -13.086  -0.242  -2.437
  273   2HE   LYS  37          2HE       LYS  37 -14.492   0.507  -3.151
  274   1HZ   LYS  37          1HZ       LYS  37 -13.132   2.512  -3.550
  275   2HZ   LYS  37          2HZ       LYS  37 -11.761   1.634  -3.082
  276   3HZ   LYS  37          3HZ       LYS  37 -12.655   1.143  -4.435
  277    H    GLY  38           H        GLY  38 -10.733  -0.563   0.117
  278   1HA   GLY  38          1HA       GLY  38 -11.660  -2.699  -0.229
  279   2HA   GLY  38          2HA       GLY  38 -11.952  -2.277  -1.914
  280    H    CYS  39           H        CYS  39  -9.107  -1.449  -2.307
  281    HA   CYS  39           HA       CYS  39  -8.067  -4.011  -3.113
  282   1HB   CYS  39          1HB       CYS  39  -6.689  -1.348  -2.888
  283   2HB   CYS  39          2HB       CYS  39  -6.184  -2.659  -3.913
  284    H    LYS  40           H        LYS  40  -5.797  -4.608  -2.566
  285    HA   LYS  40           HA       LYS  40  -5.063  -4.243   0.302
  286   1HB   LYS  40          1HB       LYS  40  -4.448  -6.735   0.258
  287   2HB   LYS  40          2HB       LYS  40  -6.153  -6.350   0.325
  288   1HG   LYS  40          1HG       LYS  40  -6.390  -6.766  -2.074
  289   2HG   LYS  40          2HG       LYS  40  -4.671  -7.045  -2.258
  290   1HD   LYS  40          1HD       LYS  40  -5.776  -9.198  -2.173
  291   2HD   LYS  40          2HD       LYS  40  -4.935  -9.011  -0.649
  292   1HE   LYS  40          1HE       LYS  40  -7.042  -8.314   0.461
  293   2HE   LYS  40          2HE       LYS  40  -7.898  -8.434  -1.072
  294   1HZ   LYS  40          1HZ       LYS  40  -6.513 -10.654   0.313
  295   2HZ   LYS  40          2HZ       LYS  40  -8.191 -10.392   0.285
  296   3HZ   LYS  40          3HZ       LYS  40  -7.366 -10.771  -1.151
  297    H    TYR  41           H        TYR  41  -3.270  -3.076   0.151
  298    HA   TYR  41           HA       TYR  41  -1.328  -3.660  -1.946
  299   1HB   TYR  41          1HB       TYR  41  -1.689  -1.362   0.002
  300   2HB   TYR  41          2HB       TYR  41  -0.356  -1.482  -1.124
  301    HD1  TYR  41           HD1      TYR  41  -0.815  -1.474  -3.602
  302    HD2  TYR  41           HD2      TYR  41  -3.914  -0.803  -0.759
  303    HE1  TYR  41           HE1      TYR  41  -2.251  -0.596  -5.378
  304    HE2  TYR  41           HE2      TYR  41  -5.339   0.084  -2.537
  305    HH   TYR  41           HH       TYR  41  -5.467   0.715  -4.657
  306    H    PHE  42           H        PHE  42   0.346  -4.821  -1.581
  307    HA   PHE  42           HA       PHE  42   1.434  -5.216   1.136
  308   1HB   PHE  42          1HB       PHE  42   2.329  -7.222  -0.767
  309   2HB   PHE  42          2HB       PHE  42   1.419  -7.397   0.709
  310    HD1  PHE  42           HD1      PHE  42   0.992  -6.634  -2.918
  311    HD2  PHE  42           HD2      PHE  42  -0.840  -7.969   0.687
  312    HE1  PHE  42           HE1      PHE  42  -1.020  -7.292  -4.169
  313    HE2  PHE  42           HE2      PHE  42  -2.840  -8.628  -0.567
  314    HZ   PHE  42           HZ       PHE  42  -2.928  -8.290  -3.003
  315    H    SER  43           H        SER  43   3.593  -5.564   1.370
  316    HA   SER  43           HA       SER  43   5.275  -3.720   0.064
  317   1HB   SER  43          1HB       SER  43   5.859  -5.949   2.064
  318   2HB   SER  43          2HB       SER  43   6.943  -4.651   1.656
  319    HG   SER  43           HG       SER  43   5.331  -3.169   2.289
  320    H    ASP  44           H        ASP  44   7.579  -4.469  -0.191
  321    HA   ASP  44           HA       ASP  44   7.756  -6.002  -2.638
  322   1HB   ASP  44          1HB       ASP  44   9.331  -4.080  -1.021
  323   2HB   ASP  44          2HB       ASP  44  10.318  -5.314  -1.733
  324    H    ASP  45           H        ASP  45   8.556  -6.330   0.706
  325    HA   ASP  45           HA       ASP  45  10.075  -8.779   0.521
  326   1HB   ASP  45          1HB       ASP  45  10.316  -7.242   2.437
  327   2HB   ASP  45          2HB       ASP  45   8.618  -7.422   2.839
  328    H    GLY  46           H        GLY  46   6.831  -8.120   0.027
  329   1HA   GLY  46          1HA       GLY  46   5.062  -9.479  -0.412
  330   2HA   GLY  46          2HA       GLY  46   6.092 -10.892  -0.065
  331    H    THR  47           H        THR  47   4.701  -8.067   1.528
  332    HA   THR  47           HA       THR  47   3.541  -9.615   3.625
  333    HB   THR  47           HB       THR  47   5.710  -7.511   4.116
  334    HG1  THR  47           HG1      THR  47   6.588  -9.461   3.692
  335   1HG2  THR  47          1HG2      THR  47   4.142  -9.209   6.165
  336   2HG2  THR  47          2HG2      THR  47   5.410  -8.058   6.557
  337   3HG2  THR  47          3HG2      THR  47   3.872  -7.488   5.936
  338    H    PHE  48           H        PHE  48   1.605  -8.896   3.639
  339    HA   PHE  48           HA       PHE  48   0.455  -6.700   2.448
  340   1HB   PHE  48          1HB       PHE  48  -0.860  -8.544   3.277
  341   2HB   PHE  48          2HB       PHE  48  -0.391  -8.218   4.933
  342    HD1  PHE  48           HD1      PHE  48  -2.544  -7.109   2.141
  343    HD2  PHE  48           HD2      PHE  48  -1.364  -6.346   6.168
  344    HE1  PHE  48           HE1      PHE  48  -4.476  -5.625   2.436
  345    HE2  PHE  48           HE2      PHE  48  -3.293  -4.866   6.454
  346    HZ   PHE  48           HZ       PHE  48  -4.850  -4.504   4.597
  347    H    VAL  49           H        VAL  49   0.372  -4.637   2.737
  348    HA   VAL  49           HA       VAL  49   1.396  -3.416   5.263
  349    HB   VAL  49           HB       VAL  49   0.983  -2.141   2.521
  350   1HG1  VAL  49          1HG1      VAL  49   2.326  -1.064   5.044
  351   2HG1  VAL  49          2HG1      VAL  49   2.289  -0.257   3.487
  352   3HG1  VAL  49          3HG1      VAL  49   0.805  -0.488   4.386
  353   1HG2  VAL  49          1HG2      VAL  49   3.495  -3.025   3.967
  354   2HG2  VAL  49          2HG2      VAL  49   2.794  -3.811   2.559
  355   3HG2  VAL  49          3HG2      VAL  49   3.454  -2.191   2.422
  356    H    CYS  50           H        CYS  50  -1.192  -2.728   2.841
  357    HA   CYS  50           HA       CYS  50  -3.043  -2.179   5.088
  358   1HB   CYS  50          1HB       CYS  50  -3.384   0.067   4.667
  359   2HB   CYS  50          2HB       CYS  50  -1.692  -0.024   4.252
  360    H    GLU  51           H        GLU  51  -5.243  -1.530   4.134
  361    HA   GLU  51           HA       GLU  51  -5.653  -2.997   1.562
  362   1HB   GLU  51          1HB       GLU  51  -6.552  -4.489   3.208
  363   2HB   GLU  51          2HB       GLU  51  -7.143  -3.193   4.216
  364   1HG   GLU  51          1HG       GLU  51  -8.371  -3.957   1.523
  365   2HG   GLU  51          2HG       GLU  51  -8.901  -4.610   3.041
  366    H    GLY  52           H        GLY  52  -5.661  -1.294   0.382
  367   1HA   GLY  52          1HA       GLY  52  -6.130   0.726  -0.583
  368   2HA   GLY  52          2HA       GLY  52  -7.771   0.184  -0.321
  369    H    GLU  53           H        GLU  53  -7.340   2.720  -0.732
  370    HA   GLU  53           HA       GLU  53  -8.304   3.995   1.719
  371   1HB   GLU  53          1HB       GLU  53  -5.714   4.928   0.409
  372   2HB   GLU  53          2HB       GLU  53  -6.628   5.904   1.543
  373   1HG   GLU  53          1HG       GLU  53  -6.401   3.914   3.193
  374   2HG   GLU  53          2HG       GLU  53  -5.154   3.328   2.102
  375    H    SER  54           H        SER  54  -8.699   3.627  -1.480
  376    HA   SER  54           HA       SER  54  -9.942   4.756  -3.081
  377   1HB   SER  54          1HB       SER  54 -11.498   5.147  -1.068
  378   2HB   SER  54          2HB       SER  54 -10.723   6.715  -0.837
  379    HG   SER  54           HG       SER  54 -11.171   6.668  -3.350
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  -7.427  13.281  -0.914
    2   2H    MET   1          2H        MET   1  -7.953  13.236   0.700
    3   3H    MET   1          3H        MET   1  -8.583  12.135  -0.431
    4    HA   MET   1           HA       MET   1 -10.204  13.798  -0.044
    5   1HB   MET   1          1HB       MET   1  -7.897  15.498   0.178
    6   2HB   MET   1          2HB       MET   1  -8.782  16.107  -1.203
    7   1HG   MET   1          1HG       MET   1 -10.839  16.205   0.159
    8   2HG   MET   1          2HG       MET   1  -9.964  15.602   1.539
    9   1HE   MET   1          1HE       MET   1  -7.611  16.928   2.242
   10   2HE   MET   1          2HE       MET   1  -8.056  18.470   2.943
   11   3HE   MET   1          3HE       MET   1  -9.012  17.049   3.335
   12    H    LYS   2           H        LYS   2 -11.420  13.169  -1.647
   13    HA   LYS   2           HA       LYS   2 -12.213  12.612  -3.761
   14   1HB   LYS   2          1HB       LYS   2 -12.313  15.130  -3.741
   15   2HB   LYS   2          2HB       LYS   2 -10.736  15.197  -4.503
   16   1HG   LYS   2          1HG       LYS   2 -11.659  13.880  -6.454
   17   2HG   LYS   2          2HG       LYS   2 -13.233  13.896  -5.693
   18   1HD   LYS   2          1HD       LYS   2 -11.665  16.373  -6.542
   19   2HD   LYS   2          2HD       LYS   2 -12.988  15.667  -7.445
   20   1HE   LYS   2          1HE       LYS   2 -13.206  16.874  -4.644
   21   2HE   LYS   2          2HE       LYS   2 -13.809  17.576  -6.133
   22   1HZ   LYS   2          1HZ       LYS   2 -15.150  15.486  -6.386
   23   2HZ   LYS   2          2HZ       LYS   2 -14.751  15.138  -4.772
   24   3HZ   LYS   2          3HZ       LYS   2 -15.623  16.547  -5.147
   25    H    ALA   3           H        ALA   3 -10.806  10.800  -3.730
   26    HA   ALA   3           HA       ALA   3  -9.439   9.250  -4.756
   27   1HB   ALA   3          1HB       ALA   3 -10.404  10.084  -6.879
   28   2HB   ALA   3          2HB       ALA   3  -9.193  11.350  -6.972
   29   3HB   ALA   3          3HB       ALA   3  -8.713   9.672  -7.095
   30    H    CYS   4           H        CYS   4  -7.467   8.697  -4.177
   31    HA   CYS   4           HA       CYS   4  -5.535  10.598  -3.212
   32   1HB   CYS   4          1HB       CYS   4  -5.309   7.667  -3.803
   33   2HB   CYS   4          2HB       CYS   4  -4.173   8.579  -2.868
   34    H    THR   5           H        THR   5  -3.122  10.047  -3.886
   35    HA   THR   5           HA       THR   5  -2.821  10.925  -6.633
   36    HB   THR   5           HB       THR   5  -0.516  10.159  -4.729
   37    HG1  THR   5           HG1      THR   5  -2.048  11.323  -3.531
   38   1HG2  THR   5          1HG2      THR   5  -0.142  11.258  -7.063
   39   2HG2  THR   5          2HG2      THR   5  -1.108  12.602  -6.480
   40   3HG2  THR   5          3HG2      THR   5   0.423  12.221  -5.702
   41    H    LEU   6           H        LEU   6  -0.317   9.484  -7.092
   42    HA   LEU   6           HA       LEU   6  -1.160   6.645  -7.337
   43   1HB   LEU   6          1HB       LEU   6  -0.196   8.383  -9.646
   44   2HB   LEU   6          2HB       LEU   6  -0.426   6.653  -9.750
   45    HG   LEU   6           HG       LEU   6  -2.675   8.624  -9.091
   46   1HD1  LEU   6          1HD1      LEU   6  -2.005   7.211 -11.710
   47   2HD1  LEU   6          2HD1      LEU   6  -3.422   8.208 -11.419
   48   3HD1  LEU   6          3HD1      LEU   6  -1.824   8.931 -11.406
   49   1HD2  LEU   6          1HD2      LEU   6  -2.738   5.663  -9.871
   50   2HD2  LEU   6          2HD2      LEU   6  -3.054   6.267  -8.256
   51   3HD2  LEU   6          3HD2      LEU   6  -4.142   6.671  -9.565
   52    H    ASN   7           H        ASN   7   1.275   8.830  -6.599
   53    HA   ASN   7           HA       ASN   7   3.598   7.711  -7.488
   54   1HB   ASN   7          1HB       ASN   7   3.051   9.030  -4.812
   55   2HB   ASN   7          2HB       ASN   7   4.658   8.752  -5.459
   56   1HD2  ASN   7          1HD2      ASN   7   1.557  10.336  -6.360
   57   2HD2  ASN   7          2HD2      ASN   7   2.283  11.589  -7.248
   58    H    CYS   8           H        CYS   8   5.176   6.523  -6.448
   59    HA   CYS   8           HA       CYS   8   4.192   4.043  -5.243
   60   1HB   CYS   8          1HB       CYS   8   7.100   4.331  -5.478
   61   2HB   CYS   8          2HB       CYS   8   6.041   3.069  -6.029
   62    H    ASP   9           H        ASP   9   4.366   3.354  -3.269
   63    HA   ASP   9           HA       ASP   9   5.557   5.102  -1.185
   64   1HB   ASP   9          1HB       ASP   9   3.222   4.440  -0.921
   65   2HB   ASP   9          2HB       ASP   9   3.622   2.749  -1.046
   66    HA   PRO  10           HA       PRO  10   9.156   2.622  -1.739
   67   1HB   PRO  10          1HB       PRO  10  10.151   3.021   0.955
   68   2HB   PRO  10          2HB       PRO  10  10.687   3.775  -0.537
   69   1HG   PRO  10          1HG       PRO  10   9.005   4.893   1.560
   70   2HG   PRO  10          2HG       PRO  10   9.729   5.712   0.185
   71   1HD   PRO  10          1HD       PRO  10   6.984   5.149   0.512
   72   2HD   PRO  10          2HD       PRO  10   7.758   5.639  -1.003
   73    H    ARG  11           H        ARG  11   7.559   2.098   1.296
   74    HA   ARG  11           HA       ARG  11   8.604  -0.588   1.686
   75   1HB   ARG  11          1HB       ARG  11   6.858  -0.741   3.510
   76   2HB   ARG  11          2HB       ARG  11   7.978   0.601   3.667
   77   1HG   ARG  11          1HG       ARG  11   6.449   2.164   2.922
   78   2HG   ARG  11          2HG       ARG  11   5.409   0.991   2.146
   79   1HD   ARG  11          1HD       ARG  11   4.858   0.152   4.515
   80   2HD   ARG  11          2HD       ARG  11   5.665   1.625   5.090
   81    HE   ARG  11           HE       ARG  11   3.967   2.304   2.947
   82   1HH1  ARG  11          1HH1      ARG  11   3.786   1.184   6.219
   83   2HH1  ARG  11          2HH1      ARG  11   2.245   1.912   6.521
   84   1HH2  ARG  11          1HH2      ARG  11   1.988   3.247   3.305
   85   2HH2  ARG  11          2HH2      ARG  11   1.209   3.100   4.844
   86    H    ILE  12           H        ILE  12   5.822   0.712   0.075
   87    HA   ILE  12           HA       ILE  12   4.418  -1.871  -0.091
   88    HB   ILE  12           HB       ILE  12   3.770   0.778  -1.363
   89   1HG1  ILE  12          1HG1      ILE  12   2.797  -0.700   1.124
   90   2HG1  ILE  12          2HG1      ILE  12   3.687   0.809   1.109
   91   1HG2  ILE  12          1HG2      ILE  12   2.785  -1.150  -2.635
   92   2HG2  ILE  12          2HG2      ILE  12   2.106  -1.786  -1.146
   93   3HG2  ILE  12          3HG2      ILE  12   1.541  -0.258  -1.806
   94   1HD1  ILE  12          1HD1      ILE  12   1.806   1.893  -0.041
   95   2HD1  ILE  12          2HD1      ILE  12   0.892   0.388   0.061
   96   3HD1  ILE  12          3HD1      ILE  12   1.371   1.223   1.531
   97    H    ALA  13           H        ALA  13   4.252  -3.098  -1.839
   98    HA   ALA  13           HA       ALA  13   6.121  -2.661  -4.119
   99   1HB   ALA  13          1HB       ALA  13   4.595  -5.149  -3.232
  100   2HB   ALA  13          2HB       ALA  13   5.732  -5.086  -4.564
  101   3HB   ALA  13          3HB       ALA  13   6.290  -4.788  -2.938
  102    H    TYR  14           H        TYR  14   2.881  -3.906  -3.445
  103    HA   TYR  14           HA       TYR  14   1.667  -2.189  -5.457
  104   1HB   TYR  14          1HB       TYR  14   0.983  -3.941  -7.056
  105   2HB   TYR  14          2HB       TYR  14   2.723  -3.891  -6.906
  106    HD1  TYR  14           HD1      TYR  14   3.889  -5.635  -5.460
  107    HD2  TYR  14           HD2      TYR  14  -0.227  -5.925  -6.481
  108    HE1  TYR  14           HE1      TYR  14   3.916  -7.999  -4.858
  109    HE2  TYR  14           HE2      TYR  14  -0.203  -8.290  -5.879
  110    HH   TYR  14           HH       TYR  14   1.786 -10.156  -5.804
  111    H    GLY  15           H        GLY  15  -0.568  -2.983  -6.000
  112   1HA   GLY  15          1HA       GLY  15  -1.875  -4.166  -3.605
  113   2HA   GLY  15          2HA       GLY  15  -2.496  -2.672  -4.289
  114    H    VAL  16           H        VAL  16  -3.875  -5.082  -3.940
  115    HA   VAL  16           HA       VAL  16  -4.606  -5.674  -6.798
  116    HB   VAL  16           HB       VAL  16  -4.201  -7.646  -4.521
  117   1HG1  VAL  16          1HG1      VAL  16  -5.593  -8.179  -7.179
  118   2HG1  VAL  16          2HG1      VAL  16  -5.139  -9.412  -6.011
  119   3HG1  VAL  16          3HG1      VAL  16  -6.370  -8.234  -5.607
  120   1HG2  VAL  16          1HG2      VAL  16  -3.172  -7.472  -7.381
  121   2HG2  VAL  16          2HG2      VAL  16  -2.236  -7.079  -5.955
  122   3HG2  VAL  16          3HG2      VAL  16  -2.731  -8.733  -6.258
  123    H    CYS  17           H        CYS  17  -6.489  -4.938  -7.142
  124    HA   CYS  17           HA       CYS  17  -8.481  -4.618  -5.003
  125   1HB   CYS  17          1HB       CYS  17  -8.456  -3.729  -7.879
  126   2HB   CYS  17          2HB       CYS  17  -9.628  -3.225  -6.690
  127    HA   PRO  18           HA       PRO  18 -10.963  -8.067  -5.820
  128   1HB   PRO  18          1HB       PRO  18 -13.503  -6.643  -6.042
  129   2HB   PRO  18          2HB       PRO  18 -12.907  -7.655  -4.736
  130   1HG   PRO  18          1HG       PRO  18 -13.130  -4.821  -4.734
  131   2HG   PRO  18          2HG       PRO  18 -12.380  -5.819  -3.497
  132   1HD   PRO  18          1HD       PRO  18 -11.082  -4.071  -5.427
  133   2HD   PRO  18          2HD       PRO  18 -10.348  -4.965  -4.086
  134    H    ARG  19           H        ARG  19 -11.334  -9.240  -7.504
  135    HA   ARG  19           HA       ARG  19 -11.507  -9.928  -9.690
  136   1HB   ARG  19          1HB       ARG  19 -13.813  -8.041  -9.178
  137   2HB   ARG  19          2HB       ARG  19 -13.566  -8.473 -10.850
  138   1HG   ARG  19          1HG       ARG  19 -15.126 -10.042  -9.876
  139   2HG   ARG  19          2HG       ARG  19 -13.637 -10.892 -10.237
  140   1HD   ARG  19          1HD       ARG  19 -12.937 -10.752  -7.865
  141   2HD   ARG  19          2HD       ARG  19 -14.363  -9.804  -7.466
  142    HE   ARG  19           HE       ARG  19 -14.246 -12.688  -7.913
  143   1HH1  ARG  19          1HH1      ARG  19 -16.253  -9.860  -7.947
  144   2HH1  ARG  19          2HH1      ARG  19 -17.714 -10.758  -7.715
  145   1HH2  ARG  19          1HH2      ARG  19 -16.083 -13.840  -7.621
  146   2HH2  ARG  19          2HH2      ARG  19 -17.619 -13.044  -7.528
  147    H    SER  20           H        SER  20  -9.610  -7.865  -9.202
  148    HA   SER  20           HA       SER  20  -9.544  -6.409 -11.822
  149   1HB   SER  20          1HB       SER  20  -7.830  -5.958  -9.309
  150   2HB   SER  20          2HB       SER  20  -7.893  -4.914 -10.737
  151    HG   SER  20           HG       SER  20  -9.956  -5.521  -8.910
  152    H    GLU  21           H        GLU  21  -9.242  -8.881 -12.175
  153    HA   GLU  21           HA       GLU  21  -7.959 -10.587 -13.068
  154   1HB   GLU  21          1HB       GLU  21  -5.970  -8.320 -13.567
  155   2HB   GLU  21          2HB       GLU  21  -5.934  -9.882 -14.345
  156   1HG   GLU  21          1HG       GLU  21  -6.982  -8.329 -15.884
  157   2HG   GLU  21          2HG       GLU  21  -8.216  -9.436 -15.315
  158    H    GLU  22           H        GLU  22  -7.177  -9.354 -10.215
  159    HA   GLU  22           HA       GLU  22  -5.751  -9.868  -8.482
  160   1HB   GLU  22          1HB       GLU  22  -6.758 -12.233  -9.541
  161   2HB   GLU  22          2HB       GLU  22  -5.043 -12.578  -9.571
  162   1HG   GLU  22          1HG       GLU  22  -4.959 -11.814  -7.128
  163   2HG   GLU  22          2HG       GLU  22  -6.708 -11.728  -7.165
  164    H    LYS  23           H        LYS  23  -4.150  -8.361  -9.001
  165    HA   LYS  23           HA       LYS  23  -1.937  -9.065 -10.731
  166   1HB   LYS  23          1HB       LYS  23  -2.844  -6.631  -9.224
  167   2HB   LYS  23          2HB       LYS  23  -1.124  -6.723  -9.511
  168   1HG   LYS  23          1HG       LYS  23  -2.052  -5.542 -11.359
  169   2HG   LYS  23          2HG       LYS  23  -1.624  -7.131 -11.962
  170   1HD   LYS  23          1HD       LYS  23  -4.001  -7.870 -11.701
  171   2HD   LYS  23          2HD       LYS  23  -4.416  -6.293 -11.054
  172   1HE   LYS  23          1HE       LYS  23  -5.018  -6.358 -13.431
  173   2HE   LYS  23          2HE       LYS  23  -3.661  -5.263 -13.234
  174   1HZ   LYS  23          1HZ       LYS  23  -3.327  -8.112 -13.940
  175   2HZ   LYS  23          2HZ       LYS  23  -3.490  -6.881 -15.099
  176   3HZ   LYS  23          3HZ       LYS  23  -2.172  -6.870 -14.027
  177    H    LYS  24           H        LYS  24  -2.188 -10.896  -8.574
  178    HA   LYS  24           HA       LYS  24  -0.043 -10.293  -6.644
  179   1HB   LYS  24          1HB       LYS  24  -1.502 -12.952  -7.023
  180   2HB   LYS  24          2HB       LYS  24  -0.656 -12.409  -5.594
  181   1HG   LYS  24          1HG       LYS  24  -3.095 -10.932  -6.647
  182   2HG   LYS  24          2HG       LYS  24  -3.270 -12.347  -5.639
  183   1HD   LYS  24          1HD       LYS  24  -1.620  -9.911  -4.828
  184   2HD   LYS  24          2HD       LYS  24  -3.308 -10.128  -4.400
  185   1HE   LYS  24          1HE       LYS  24  -1.043 -12.026  -3.601
  186   2HE   LYS  24          2HE       LYS  24  -1.827 -10.865  -2.553
  187   1HZ   LYS  24          1HZ       LYS  24  -3.960 -12.036  -3.152
  188   2HZ   LYS  24          2HZ       LYS  24  -2.984 -13.279  -3.773
  189   3HZ   LYS  24          3HZ       LYS  24  -2.882 -12.859  -2.131
  190    H    ASN  25           H        ASN  25   0.998 -10.047  -8.931
  191    HA   ASN  25           HA       ASN  25   3.235 -11.747  -9.083
  192   1HB   ASN  25          1HB       ASN  25   0.855 -12.550 -10.702
  193   2HB   ASN  25          2HB       ASN  25   2.287 -12.360 -11.679
  194   1HD2  ASN  25          2HD2      ASN  25   4.349 -13.429 -10.459
  195   2HD2  ASN  25          1HD2      ASN  25   4.060 -14.996  -9.876
  196    H    ASP  26           H        ASP  26   2.436  -8.992  -8.984
  197    HA   ASP  26           HA       ASP  26   4.146  -7.924 -11.071
  198   1HB   ASP  26          1HB       ASP  26   1.322  -8.049 -11.589
  199   2HB   ASP  26          2HB       ASP  26   1.643  -6.373 -11.202
  200    H    ARG  27           H        ARG  27   5.374  -6.677  -9.928
  201    HA   ARG  27           HA       ARG  27   4.328  -5.225  -7.559
  202   1HB   ARG  27          1HB       ARG  27   6.315  -6.499  -7.105
  203   2HB   ARG  27          2HB       ARG  27   7.103  -5.944  -8.561
  204   1HG   ARG  27          1HG       ARG  27   6.398  -3.654  -6.844
  205   2HG   ARG  27          2HG       ARG  27   7.302  -4.846  -5.949
  206   1HD   ARG  27          1HD       ARG  27   8.254  -3.744  -8.624
  207   2HD   ARG  27          2HD       ARG  27   8.748  -3.130  -7.050
  208    HE   ARG  27           HE       ARG  27   9.078  -6.030  -7.670
  209   1HH1  ARG  27          1HH1      ARG  27  10.509  -2.939  -6.940
  210   2HH1  ARG  27          2HH1      ARG  27  12.063  -3.630  -6.635
  211   1HH2  ARG  27          1HH2      ARG  27  11.031  -6.889  -7.288
  212   2HH2  ARG  27          2HH2      ARG  27  12.367  -5.884  -6.836
  213    H    ILE  28           H        ILE  28   3.209  -3.702  -8.506
  214    HA   ILE  28           HA       ILE  28   3.960  -1.950 -10.603
  215    HB   ILE  28           HB       ILE  28   1.853  -1.370  -8.525
  216   1HG1  ILE  28          1HG1      ILE  28   1.399  -3.294 -10.902
  217   2HG1  ILE  28          2HG1      ILE  28   1.671  -3.936  -9.309
  218   1HG2  ILE  28          1HG2      ILE  28   1.930  -1.089 -11.550
  219   2HG2  ILE  28          2HG2      ILE  28   0.587  -0.590 -10.537
  220   3HG2  ILE  28          3HG2      ILE  28   2.109   0.240 -10.423
  221   1HD1  ILE  28          1HD1      ILE  28  -0.312  -2.751  -8.443
  222   2HD1  ILE  28          2HD1      ILE  28  -0.671  -2.175 -10.063
  223   3HD1  ILE  28          3HD1      ILE  28  -0.690  -3.893  -9.718
  224    H    CYS  29           H        CYS  29   3.468   0.640  -9.616
  225    HA   CYS  29           HA       CYS  29   5.353   1.077  -7.360
  226   1HB   CYS  29          1HB       CYS  29   6.365   1.228  -9.742
  227   2HB   CYS  29          2HB       CYS  29   5.382   2.638  -9.957
  228    H    THR  30           H        THR  30   3.145   1.263  -6.431
  229    HA   THR  30           HA       THR  30   2.174   4.071  -6.641
  230    HB   THR  30           HB       THR  30   0.690   2.554  -8.041
  231    HG1  THR  30           HG1      THR  30  -1.207   3.201  -6.828
  232   1HG2  THR  30          1HG2      THR  30   0.902   0.487  -6.530
  233   2HG2  THR  30          2HG2      THR  30   0.000   1.379  -5.314
  234   3HG2  THR  30          3HG2      THR  30  -0.765   0.950  -6.838
  235    H    ASN  31           H        ASN  31   0.294   4.194  -4.693
  236    HA   ASN  31           HA       ASN  31   1.639   3.101  -2.255
  237   1HB   ASN  31          1HB       ASN  31   1.142   5.326  -1.155
  238   2HB   ASN  31          2HB       ASN  31   2.220   5.453  -2.522
  239   1HD2  ASN  31          2HD2      ASN  31   1.761   7.325  -3.582
  240   2HD2  ASN  31          1HD2      ASN  31   0.193   7.928  -3.821
  241    H    CYS  32           H        CYS  32   0.385   3.145  -0.328
  242    HA   CYS  32           HA       CYS  32  -1.845   1.542  -0.368
  243   1HB   CYS  32          1HB       CYS  32  -0.671   1.791   1.672
  244   2HB   CYS  32          2HB       CYS  32  -0.870   3.525   1.685
  245    H    CYS  33           H        CYS  33  -1.925   5.032  -0.347
  246    HA   CYS  33           HA       CYS  33  -4.800   5.224  -0.032
  247   1HB   CYS  33          1HB       CYS  33  -3.060   6.884   0.676
  248   2HB   CYS  33          2HB       CYS  33  -2.789   7.263  -0.992
  249    H    ALA  34           H        ALA  34  -2.602   5.278  -2.746
  250    HA   ALA  34           HA       ALA  34  -4.204   6.241  -4.825
  251   1HB   ALA  34          1HB       ALA  34  -2.023   4.149  -4.928
  252   2HB   ALA  34          2HB       ALA  34  -2.645   5.022  -6.315
  253   3HB   ALA  34          3HB       ALA  34  -1.798   5.886  -5.045
  254    H    GLY  35           H        GLY  35  -3.751   2.863  -3.882
  255   1HA   GLY  35          1HA       GLY  35  -5.354   1.709  -5.836
  256   2HA   GLY  35          2HA       GLY  35  -5.126   0.970  -4.271
  257    H    THR  36           H        THR  36  -7.569   0.842  -5.701
  258    HA   THR  36           HA       THR  36  -9.449   2.802  -4.676
  259    HB   THR  36           HB       THR  36 -10.389   0.105  -5.580
  260    HG1  THR  36           HG1      THR  36  -9.026   2.110  -7.068
  261   1HG2  THR  36          1HG2      THR  36 -11.135   2.968  -6.413
  262   2HG2  THR  36          2HG2      THR  36 -11.998   1.512  -6.876
  263   3HG2  THR  36          3HG2      THR  36 -12.029   2.054  -5.214
  264    H    LYS  37           H        LYS  37 -11.469   1.806  -3.566
  265    HA   LYS  37           HA       LYS  37 -10.639   0.914  -0.929
  266   1HB   LYS  37          1HB       LYS  37 -12.504   2.294  -0.756
  267   2HB   LYS  37          2HB       LYS  37 -13.173   1.773  -2.284
  268   1HG   LYS  37          1HG       LYS  37 -13.970  -0.338  -1.248
  269   2HG   LYS  37          2HG       LYS  37 -13.264   0.143   0.289
  270   1HD   LYS  37          1HD       LYS  37 -14.747   2.157   0.319
  271   2HD   LYS  37          2HD       LYS  37 -15.445   1.664  -1.213
  272   1HE   LYS  37          1HE       LYS  37 -15.556   0.031   1.362
  273   2HE   LYS  37          2HE       LYS  37 -16.884   0.970   0.695
  274   1HZ   LYS  37          1HZ       LYS  37 -16.567  -0.421  -1.373
  275   2HZ   LYS  37          2HZ       LYS  37 -15.620  -1.451  -0.411
  276   3HZ   LYS  37          3HZ       LYS  37 -17.251  -1.187  -0.020
  277    H    GLY  38           H        GLY  38 -10.869  -1.062  -0.013
  278   1HA   GLY  38          1HA       GLY  38 -11.449  -3.343   0.182
  279   2HA   GLY  38          2HA       GLY  38 -12.160  -3.295  -1.421
  280    H    CYS  39           H        CYS  39  -9.257  -1.959  -1.990
  281    HA   CYS  39           HA       CYS  39  -8.158  -4.381  -3.121
  282   1HB   CYS  39          1HB       CYS  39  -6.747  -1.732  -2.706
  283   2HB   CYS  39          2HB       CYS  39  -6.409  -2.931  -3.908
  284    H    LYS  40           H        LYS  40  -5.797  -4.842  -2.750
  285    HA   LYS  40           HA       LYS  40  -5.172  -4.898   0.182
  286   1HB   LYS  40          1HB       LYS  40  -4.745  -7.165  -1.789
  287   2HB   LYS  40          2HB       LYS  40  -4.389  -7.218  -0.072
  288   1HG   LYS  40          1HG       LYS  40  -6.812  -6.885   0.432
  289   2HG   LYS  40          2HG       LYS  40  -7.170  -6.854  -1.282
  290   1HD   LYS  40          1HD       LYS  40  -5.989  -9.212   0.248
  291   2HD   LYS  40          2HD       LYS  40  -7.631  -9.091  -0.345
  292   1HE   LYS  40          1HE       LYS  40  -5.108  -9.254  -2.063
  293   2HE   LYS  40          2HE       LYS  40  -6.360 -10.468  -1.904
  294   1HZ   LYS  40          1HZ       LYS  40  -7.902  -8.602  -2.717
  295   2HZ   LYS  40          2HZ       LYS  40  -6.469  -7.887  -3.284
  296   3HZ   LYS  40          3HZ       LYS  40  -6.924  -9.427  -3.836
  297    H    TYR  41           H        TYR  41  -3.492  -3.546   0.324
  298    HA   TYR  41           HA       TYR  41  -1.359  -3.555  -1.675
  299   1HB   TYR  41          1HB       TYR  41  -2.257  -1.693   0.495
  300   2HB   TYR  41          2HB       TYR  41  -0.559  -1.666   0.100
  301    HD1  TYR  41           HD1      TYR  41  -0.114  -1.753  -2.540
  302    HD2  TYR  41           HD2      TYR  41  -3.611  -0.201  -0.694
  303    HE1  TYR  41           HE1      TYR  41  -0.529  -0.400  -4.507
  304    HE2  TYR  41           HE2      TYR  41  -4.030   1.180  -2.649
  305    HH   TYR  41           HH       TYR  41  -2.405   2.182  -4.602
  306    H    PHE  42           H        PHE  42   0.341  -4.787  -1.453
  307    HA   PHE  42           HA       PHE  42   1.460  -5.370   1.218
  308   1HB   PHE  42          1HB       PHE  42   2.229  -7.463  -0.570
  309   2HB   PHE  42          2HB       PHE  42   1.170  -7.504   0.816
  310    HD1  PHE  42           HD1      PHE  42   0.870  -6.398  -2.777
  311    HD2  PHE  42           HD2      PHE  42  -0.845  -8.462   0.532
  312    HE1  PHE  42           HE1      PHE  42  -1.075  -7.021  -4.147
  313    HE2  PHE  42           HE2      PHE  42  -2.776  -9.085  -0.847
  314    HZ   PHE  42           HZ       PHE  42  -2.881  -8.374  -3.186
  315    H    SER  43           H        SER  43   3.613  -5.661   1.387
  316    HA   SER  43           HA       SER  43   5.309  -3.923  -0.047
  317   1HB   SER  43          1HB       SER  43   5.905  -6.107   1.985
  318   2HB   SER  43          2HB       SER  43   6.970  -4.808   1.496
  319    HG   SER  43           HG       SER  43   5.072  -4.692   3.292
  320    H    ASP  44           H        ASP  44   7.556  -4.822  -0.408
  321    HA   ASP  44           HA       ASP  44   7.432  -6.566  -2.773
  322   1HB   ASP  44          1HB       ASP  44   8.953  -4.326  -2.065
  323   2HB   ASP  44          2HB       ASP  44  10.109  -5.624  -1.873
  324    H    ASP  45           H        ASP  45   8.768  -6.593   0.434
  325    HA   ASP  45           HA       ASP  45  10.216  -9.093   0.135
  326   1HB   ASP  45          1HB       ASP  45  10.604  -8.869   2.565
  327   2HB   ASP  45          2HB       ASP  45  10.871  -7.328   1.771
  328    H    GLY  46           H        GLY  46   6.943  -8.545   0.210
  329   1HA   GLY  46          1HA       GLY  46   5.242 -10.042   0.276
  330   2HA   GLY  46          2HA       GLY  46   6.359 -11.293   0.842
  331    H    THR  47           H        THR  47   4.929  -8.243   1.881
  332    HA   THR  47           HA       THR  47   3.969  -9.351   4.332
  333    HB   THR  47           HB       THR  47   6.119  -7.180   4.215
  334    HG1  THR  47           HG1      THR  47   6.821  -9.300   4.280
  335   1HG2  THR  47          1HG2      THR  47   4.594  -8.207   6.697
  336   2HG2  THR  47          2HG2      THR  47   5.891  -7.023   6.716
  337   3HG2  THR  47          3HG2      THR  47   4.337  -6.610   6.014
  338    H    PHE  48           H        PHE  48   1.985  -8.742   4.276
  339    HA   PHE  48           HA       PHE  48   0.802  -6.736   2.737
  340   1HB   PHE  48          1HB       PHE  48  -0.447  -8.596   3.710
  341   2HB   PHE  48          2HB       PHE  48  -0.162  -7.988   5.332
  342    HD1  PHE  48           HD1      PHE  48  -1.921  -7.297   2.128
  343    HD2  PHE  48           HD2      PHE  48  -1.438  -6.148   6.207
  344    HE1  PHE  48           HE1      PHE  48  -3.908  -5.870   1.969
  345    HE2  PHE  48           HE2      PHE  48  -3.427  -4.723   6.039
  346    HZ   PHE  48           HZ       PHE  48  -4.654  -4.584   3.926
  347    H    VAL  49           H        VAL  49   0.513  -4.682   2.881
  348    HA   VAL  49           HA       VAL  49   1.451  -3.178   5.275
  349    HB   VAL  49           HB       VAL  49   1.023  -2.184   2.426
  350   1HG1  VAL  49          1HG1      VAL  49   2.368  -0.870   4.837
  351   2HG1  VAL  49          2HG1      VAL  49   2.308  -0.194   3.221
  352   3HG1  VAL  49          3HG1      VAL  49   0.834  -0.371   4.144
  353   1HG2  VAL  49          1HG2      VAL  49   3.559  -2.928   3.936
  354   2HG2  VAL  49          2HG2      VAL  49   2.857  -3.831   2.603
  355   3HG2  VAL  49          3HG2      VAL  49   3.515  -2.233   2.327
  356    H    CYS  50           H        CYS  50  -1.218  -2.762   2.815
  357    HA   CYS  50           HA       CYS  50  -3.120  -2.222   4.990
  358   1HB   CYS  50          1HB       CYS  50  -3.360   0.062   4.788
  359   2HB   CYS  50          2HB       CYS  50  -1.712   0.018   4.220
  360    H    GLU  51           H        GLU  51  -5.159  -1.261   3.820
  361    HA   GLU  51           HA       GLU  51  -5.668  -2.949   1.437
  362   1HB   GLU  51          1HB       GLU  51  -7.956  -1.633   2.882
  363   2HB   GLU  51          2HB       GLU  51  -7.785  -3.252   2.258
  364   1HG   GLU  51          1HG       GLU  51  -6.551  -3.991   4.213
  365   2HG   GLU  51          2HG       GLU  51  -6.528  -2.360   4.870
  366    H    GLY  52           H        GLY  52  -6.342  -1.800  -0.427
  367   1HA   GLY  52          1HA       GLY  52  -5.616   0.896  -0.768
  368   2HA   GLY  52          2HA       GLY  52  -6.712   0.059  -1.839
  369    H    GLU  53           H        GLU  53  -7.162   2.691  -1.534
  370    HA   GLU  53           HA       GLU  53  -9.806   2.818  -0.365
  371   1HB   GLU  53          1HB       GLU  53  -9.214   4.606   1.341
  372   2HB   GLU  53          2HB       GLU  53  -8.554   3.032   1.722
  373   1HG   GLU  53          1HG       GLU  53  -6.364   3.715   0.666
  374   2HG   GLU  53          2HG       GLU  53  -7.022   5.313   0.373
  375    H    SER  54           H        SER  54  -9.207   3.258  -2.878
  376    HA   SER  54           HA       SER  54  -9.193   4.743  -4.686
  377   1HB   SER  54          1HB       SER  54 -11.102   6.411  -4.486
  378   2HB   SER  54          2HB       SER  54 -11.537   4.780  -3.975
  379    HG   SER  54           HG       SER  54 -10.906   7.024  -2.397
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -10.884  17.763  -4.596
    2   2H    MET   1          2H        MET   1 -10.801  19.453  -4.448
    3   3H    MET   1          3H        MET   1  -9.385  18.552  -4.714
    4    HA   MET   1           HA       MET   1  -9.417  19.170  -2.451
    5   1HB   MET   1          1HB       MET   1 -12.286  18.651  -2.775
    6   2HB   MET   1          2HB       MET   1 -11.689  17.725  -1.415
    7   1HG   MET   1          1HG       MET   1 -12.423  19.924  -0.676
    8   2HG   MET   1          2HG       MET   1 -10.712  19.733  -0.426
    9   1HE   MET   1          1HE       MET   1 -13.190  20.939  -3.228
   10   2HE   MET   1          2HE       MET   1 -13.511  21.875  -1.748
   11   3HE   MET   1          3HE       MET   1 -12.852  22.658  -3.175
   12    H    LYS   2           H        LYS   2  -8.185  17.879  -1.321
   13    HA   LYS   2           HA       LYS   2  -7.015  16.059  -0.557
   14   1HB   LYS   2          1HB       LYS   2  -9.268  15.313   0.268
   15   2HB   LYS   2          2HB       LYS   2  -9.568  14.511  -1.251
   16   1HG   LYS   2          1HG       LYS   2  -8.850  12.872   0.414
   17   2HG   LYS   2          2HG       LYS   2  -7.691  12.957  -0.887
   18   1HD   LYS   2          1HD       LYS   2  -6.523  12.837   1.265
   19   2HD   LYS   2          2HD       LYS   2  -6.204  14.394   0.541
   20   1HE   LYS   2          1HE       LYS   2  -7.952  15.429   2.000
   21   2HE   LYS   2          2HE       LYS   2  -8.296  13.851   2.699
   22   1HZ   LYS   2          1HZ       LYS   2  -5.692  15.257   2.799
   23   2HZ   LYS   2          2HZ       LYS   2  -6.810  15.146   4.073
   24   3HZ   LYS   2          3HZ       LYS   2  -6.036  13.747   3.496
   25    H    ALA   3           H        ALA   3  -5.549  14.622  -1.304
   26    HA   ALA   3           HA       ALA   3  -5.757  13.010  -3.549
   27   1HB   ALA   3          1HB       ALA   3  -4.146  15.591  -3.965
   28   2HB   ALA   3          2HB       ALA   3  -4.149  14.241  -5.089
   29   3HB   ALA   3          3HB       ALA   3  -5.609  15.180  -4.841
   30    H    CYS   4           H        CYS   4  -4.340  11.436  -3.271
   31    HA   CYS   4           HA       CYS   4  -2.328  11.589  -1.187
   32   1HB   CYS   4          1HB       CYS   4  -3.082   9.448  -3.178
   33   2HB   CYS   4          2HB       CYS   4  -1.944   9.216  -1.890
   34    H    THR   5           H        THR   5  -0.243  10.119  -2.000
   35    HA   THR   5           HA       THR   5   1.324  11.949  -3.542
   36    HB   THR   5           HB       THR   5   1.907   9.091  -2.523
   37    HG1  THR   5           HG1      THR   5   2.217  11.715  -1.476
   38   1HG2  THR   5          1HG2      THR   5   3.753  11.447  -3.110
   39   2HG2  THR   5          2HG2      THR   5   4.237   9.847  -2.544
   40   3HG2  THR   5          3HG2      THR   5   3.588  10.048  -4.170
   41    H    LEU   6           H        LEU   6  -0.226   8.909  -4.092
   42    HA   LEU   6           HA       LEU   6  -0.942   7.834  -6.000
   43   1HB   LEU   6          1HB       LEU   6   0.380  10.006  -7.675
   44   2HB   LEU   6          2HB       LEU   6  -0.935   8.943  -8.121
   45    HG   LEU   6           HG       LEU   6  -1.111  11.140  -6.003
   46   1HD1  LEU   6          1HD1      LEU   6  -2.312  10.960  -8.794
   47   2HD1  LEU   6          2HD1      LEU   6  -2.608  12.249  -7.638
   48   3HD1  LEU   6          3HD1      LEU   6  -1.001  12.021  -8.305
   49   1HD2  LEU   6          1HD2      LEU   6  -3.287   9.293  -7.101
   50   2HD2  LEU   6          2HD2      LEU   6  -2.618   9.209  -5.480
   51   3HD2  LEU   6          3HD2      LEU   6  -3.543  10.613  -5.970
   52    H    ASN   7           H        ASN   7   2.367   9.065  -6.079
   53    HA   ASN   7           HA       ASN   7   3.431   7.301  -7.922
   54   1HB   ASN   7          1HB       ASN   7   4.758   8.719  -5.577
   55   2HB   ASN   7          2HB       ASN   7   5.634   7.984  -6.911
   56   1HD2  ASN   7          2HD2      ASN   7   3.795  10.775  -5.936
   57   2HD2  ASN   7          1HD2      ASN   7   3.915  11.615  -7.406
   58    H    CYS   8           H        CYS   8   5.450   5.945  -7.071
   59    HA   CYS   8           HA       CYS   8   4.319   3.627  -5.745
   60   1HB   CYS   8          1HB       CYS   8   7.244   3.650  -5.970
   61   2HB   CYS   8          2HB       CYS   8   6.087   2.526  -6.606
   62    H    ASP   9           H        ASP   9   4.358   3.152  -3.683
   63    HA   ASP   9           HA       ASP   9   5.640   4.960  -1.743
   64   1HB   ASP   9          1HB       ASP   9   3.311   4.204  -1.442
   65   2HB   ASP   9          2HB       ASP   9   3.819   2.542  -1.370
   66    HA   PRO  10           HA       PRO  10   9.279   2.564  -2.333
   67   1HB   PRO  10          1HB       PRO  10  10.381   3.167   0.292
   68   2HB   PRO  10          2HB       PRO  10  10.851   3.809  -1.273
   69   1HG   PRO  10          1HG       PRO  10   9.264   5.082   0.793
   70   2HG   PRO  10          2HG       PRO  10   9.866   5.781  -0.703
   71   1HD   PRO  10          1HD       PRO  10   7.163   5.166  -0.119
   72   2HD   PRO  10          2HD       PRO  10   7.811   5.577  -1.715
   73    H    ARG  11           H        ARG  11   7.813   2.212   0.781
   74    HA   ARG  11           HA       ARG  11   8.930  -0.412   1.333
   75   1HB   ARG  11          1HB       ARG  11   7.242  -0.464   3.213
   76   2HB   ARG  11          2HB       ARG  11   8.331   0.912   3.238
   77   1HG   ARG  11          1HG       ARG  11   6.738   2.399   2.524
   78   2HG   ARG  11          2HG       ARG  11   5.747   1.199   1.733
   79   1HD   ARG  11          1HD       ARG  11   5.236   0.332   4.131
   80   2HD   ARG  11          2HD       ARG  11   5.887   1.896   4.660
   81    HE   ARG  11           HE       ARG  11   4.176   2.331   2.463
   82   1HH1  ARG  11          1HH1      ARG  11   4.038   1.304   5.767
   83   2HH1  ARG  11          2HH1      ARG  11   2.423   1.879   6.016
   84   1HH2  ARG  11          1HH2      ARG  11   2.102   3.077   2.751
   85   2HH2  ARG  11          2HH2      ARG  11   1.310   2.901   4.281
   86    H    ILE  12           H        ILE  12   5.943   0.722  -0.127
   87    HA   ILE  12           HA       ILE  12   4.658  -1.898  -0.097
   88    HB   ILE  12           HB       ILE  12   3.890   0.567  -1.615
   89   1HG1  ILE  12          1HG1      ILE  12   3.228  -0.483   1.178
   90   2HG1  ILE  12          2HG1      ILE  12   3.958   1.048   0.768
   91   1HG2  ILE  12          1HG2      ILE  12   2.853  -1.547  -2.502
   92   2HG2  ILE  12          2HG2      ILE  12   2.310  -1.962  -0.885
   93   3HG2  ILE  12          3HG2      ILE  12   1.649  -0.566  -1.721
   94   1HD1  ILE  12          1HD1      ILE  12   1.897   1.758  -0.336
   95   2HD1  ILE  12          2HD1      ILE  12   1.125   0.243   0.129
   96   3HD1  ILE  12          3HD1      ILE  12   1.646   1.373   1.366
   97    H    ALA  13           H        ALA  13   4.401  -3.246  -1.835
   98    HA   ALA  13           HA       ALA  13   6.282  -2.908  -4.118
   99   1HB   ALA  13          1HB       ALA  13   4.656  -5.340  -3.223
  100   2HB   ALA  13          2HB       ALA  13   5.839  -5.323  -4.523
  101   3HB   ALA  13          3HB       ALA  13   6.354  -5.053  -2.880
  102    H    TYR  14           H        TYR  14   2.973  -4.005  -3.467
  103    HA   TYR  14           HA       TYR  14   1.866  -2.257  -5.515
  104   1HB   TYR  14          1HB       TYR  14   1.084  -4.075  -7.058
  105   2HB   TYR  14          2HB       TYR  14   2.830  -3.960  -7.005
  106    HD1  TYR  14           HD1      TYR  14   4.147  -5.653  -5.695
  107    HD2  TYR  14           HD2      TYR  14  -0.047  -6.058  -6.264
  108    HE1  TYR  14           HE1      TYR  14   4.295  -7.999  -5.032
  109    HE2  TYR  14           HE2      TYR  14   0.101  -8.408  -5.600
  110    HH   TYR  14           HH       TYR  14   1.836 -10.210  -5.585
  111    H    GLY  15           H        GLY  15  -0.439  -3.076  -6.104
  112   1HA   GLY  15          1HA       GLY  15  -1.790  -4.150  -3.692
  113   2HA   GLY  15          2HA       GLY  15  -2.336  -2.619  -4.360
  114    H    VAL  16           H        VAL  16  -3.821  -4.962  -4.017
  115    HA   VAL  16           HA       VAL  16  -4.651  -5.537  -6.834
  116    HB   VAL  16           HB       VAL  16  -4.593  -7.619  -4.593
  117   1HG1  VAL  16          1HG1      VAL  16  -4.979  -7.869  -7.631
  118   2HG1  VAL  16          2HG1      VAL  16  -4.973  -9.204  -6.490
  119   3HG1  VAL  16          3HG1      VAL  16  -6.265  -8.024  -6.438
  120   1HG2  VAL  16          1HG2      VAL  16  -2.296  -6.927  -5.380
  121   2HG2  VAL  16          2HG2      VAL  16  -2.655  -8.576  -5.845
  122   3HG2  VAL  16          3HG2      VAL  16  -2.754  -7.278  -7.024
  123    H    CYS  17           H        CYS  17  -6.509  -4.680  -7.121
  124    HA   CYS  17           HA       CYS  17  -8.576  -4.586  -4.979
  125   1HB   CYS  17          1HB       CYS  17  -8.504  -3.158  -7.644
  126   2HB   CYS  17          2HB       CYS  17  -9.593  -2.824  -6.331
  127    HA   PRO  18           HA       PRO  18 -10.881  -7.877  -6.281
  128   1HB   PRO  18          1HB       PRO  18 -13.383  -6.392  -6.803
  129   2HB   PRO  18          2HB       PRO  18 -13.036  -7.631  -5.606
  130   1HG   PRO  18          1HG       PRO  18 -13.231  -4.857  -5.123
  131   2HG   PRO  18          2HG       PRO  18 -12.603  -6.059  -4.005
  132   1HD   PRO  18          1HD       PRO  18 -11.125  -3.998  -5.416
  133   2HD   PRO  18          2HD       PRO  18 -10.512  -5.166  -4.235
  134    H    ARG  19           H        ARG  19 -11.649  -9.080  -7.939
  135    HA   ARG  19           HA       ARG  19 -11.886  -9.816 -10.080
  136   1HB   ARG  19          1HB       ARG  19 -13.555  -7.605  -9.884
  137   2HB   ARG  19          2HB       ARG  19 -12.576  -7.124 -11.243
  138   1HG   ARG  19          1HG       ARG  19 -14.604  -8.255 -12.021
  139   2HG   ARG  19          2HG       ARG  19 -13.209  -9.223 -12.434
  140   1HD   ARG  19          1HD       ARG  19 -14.737  -9.797  -9.879
  141   2HD   ARG  19          2HD       ARG  19 -15.318 -10.423 -11.418
  142    HE   ARG  19           HE       ARG  19 -12.660 -11.162 -11.393
  143   1HH1  ARG  19          1HH1      ARG  19 -15.330 -11.562  -9.219
  144   2HH1  ARG  19          2HH1      ARG  19 -14.736 -13.061  -8.590
  145   1HH2  ARG  19          1HH2      ARG  19 -11.894 -13.055 -10.615
  146   2HH2  ARG  19          2HH2      ARG  19 -12.761 -13.920  -9.390
  147    H    SER  20           H        SER  20  -9.378  -8.877  -9.242
  148    HA   SER  20           HA       SER  20  -8.090  -8.097 -11.833
  149   1HB   SER  20          1HB       SER  20  -6.200  -7.269 -10.331
  150   2HB   SER  20          2HB       SER  20  -7.716  -6.408 -10.022
  151    HG   SER  20           HG       SER  20  -6.980  -7.152  -8.078
  152    H    GLU  21           H        GLU  21  -8.401 -10.355 -12.298
  153    HA   GLU  21           HA       GLU  21  -7.037 -12.398 -10.868
  154   1HB   GLU  21          1HB       GLU  21  -8.305 -12.271 -13.634
  155   2HB   GLU  21          2HB       GLU  21  -7.587 -13.738 -13.002
  156   1HG   GLU  21          1HG       GLU  21 -10.044 -13.710 -12.611
  157   2HG   GLU  21          2HG       GLU  21  -9.169 -13.743 -11.096
  158    H    GLU  22           H        GLU  22  -5.014 -12.649 -10.852
  159    HA   GLU  22           HA       GLU  22  -2.770 -12.869 -11.408
  160   1HB   GLU  22          1HB       GLU  22  -4.050 -13.464 -13.825
  161   2HB   GLU  22          2HB       GLU  22  -3.034 -12.124 -14.312
  162   1HG   GLU  22          1HG       GLU  22  -1.053 -13.313 -13.330
  163   2HG   GLU  22          2HG       GLU  22  -2.096 -14.655 -12.884
  164    H    LYS  23           H        LYS  23  -2.042 -11.206 -10.316
  165    HA   LYS  23           HA       LYS  23  -1.088  -8.852 -11.677
  166   1HB   LYS  23          1HB       LYS  23  -3.419  -8.142 -11.246
  167   2HB   LYS  23          2HB       LYS  23  -3.295  -8.617  -9.567
  168   1HG   LYS  23          1HG       LYS  23  -1.602  -6.847  -9.155
  169   2HG   LYS  23          2HG       LYS  23  -1.638  -6.394 -10.847
  170   1HD   LYS  23          1HD       LYS  23  -4.063  -6.294  -8.998
  171   2HD   LYS  23          2HD       LYS  23  -3.016  -4.923  -9.294
  172   1HE   LYS  23          1HE       LYS  23  -3.567  -4.972 -11.699
  173   2HE   LYS  23          2HE       LYS  23  -4.577  -6.391 -11.474
  174   1HZ   LYS  23          1HZ       LYS  23  -5.920  -5.079  -9.910
  175   2HZ   LYS  23          2HZ       LYS  23  -4.997  -3.708 -10.304
  176   3HZ   LYS  23          3HZ       LYS  23  -5.937  -4.472 -11.495
  177    H    LYS  24           H        LYS  24  -1.308 -10.967  -9.069
  178    HA   LYS  24           HA       LYS  24   0.606  -9.577  -7.326
  179   1HB   LYS  24          1HB       LYS  24   0.254 -12.137  -6.206
  180   2HB   LYS  24          2HB       LYS  24  -0.695 -10.736  -5.814
  181   1HG   LYS  24          1HG       LYS  24  -1.506 -12.573  -8.094
  182   2HG   LYS  24          2HG       LYS  24  -1.955 -12.901  -6.438
  183   1HD   LYS  24          1HD       LYS  24  -3.216 -10.861  -6.243
  184   2HD   LYS  24          2HD       LYS  24  -2.628 -10.215  -7.753
  185   1HE   LYS  24          1HE       LYS  24  -4.898 -11.107  -8.053
  186   2HE   LYS  24          2HE       LYS  24  -3.771 -12.095  -8.969
  187   1HZ   LYS  24          1HZ       LYS  24  -4.688 -12.754  -6.233
  188   2HZ   LYS  24          2HZ       LYS  24  -5.415 -13.350  -7.647
  189   3HZ   LYS  24          3HZ       LYS  24  -3.802 -13.743  -7.291
  190    H    ASN  25           H        ASN  25   1.850  -9.730  -9.483
  191    HA   ASN  25           HA       ASN  25   4.140 -11.424  -9.038
  192   1HB   ASN  25          1HB       ASN  25   2.035 -12.243 -10.997
  193   2HB   ASN  25          2HB       ASN  25   3.626 -12.172 -11.724
  194   1HD2  ASN  25          1HD2      ASN  25   1.572 -14.041  -9.704
  195   2HD2  ASN  25          2HD2      ASN  25   2.718 -15.209  -9.249
  196    H    ASP  26           H        ASP  26   3.269  -8.638  -9.328
  197    HA   ASP  26           HA       ASP  26   5.450  -7.666 -10.977
  198   1HB   ASP  26          1HB       ASP  26   2.622  -7.643 -11.952
  199   2HB   ASP  26          2HB       ASP  26   3.377  -6.064 -11.999
  200    H    ARG  27           H        ARG  27   6.295  -6.231  -9.715
  201    HA   ARG  27           HA       ARG  27   4.785  -4.943  -7.553
  202   1HB   ARG  27          1HB       ARG  27   7.011  -5.697  -6.988
  203   2HB   ARG  27          2HB       ARG  27   7.710  -4.951  -8.406
  204   1HG   ARG  27          1HG       ARG  27   6.386  -2.909  -6.802
  205   2HG   ARG  27          2HG       ARG  27   7.441  -3.836  -5.779
  206   1HD   ARG  27          1HD       ARG  27   9.345  -3.310  -7.310
  207   2HD   ARG  27          2HD       ARG  27   8.254  -2.426  -8.369
  208    HE   ARG  27           HE       ARG  27   8.307  -0.645  -6.860
  209   1HH1  ARG  27          1HH1      ARG  27   9.342  -3.554  -5.275
  210   2HH1  ARG  27          2HH1      ARG  27   9.762  -2.736  -3.810
  211   1HH2  ARG  27          1HH2      ARG  27   8.837   0.404  -5.014
  212   2HH2  ARG  27          2HH2      ARG  27   9.475  -0.466  -3.658
  213    H    ILE  28           H        ILE  28   3.364  -3.795  -8.700
  214    HA   ILE  28           HA       ILE  28   3.863  -1.887 -10.730
  215    HB   ILE  28           HB       ILE  28   1.494  -1.505  -8.942
  216   1HG1  ILE  28          1HG1      ILE  28   1.650  -3.932 -10.844
  217   2HG1  ILE  28          2HG1      ILE  28   1.697  -4.116  -9.109
  218   1HG2  ILE  28          1HG2      ILE  28   1.748  -0.257 -11.064
  219   2HG2  ILE  28          2HG2      ILE  28   1.860  -1.773 -11.939
  220   3HG2  ILE  28          3HG2      ILE  28   0.360  -1.306 -11.154
  221   1HD1  ILE  28          1HD1      ILE  28  -0.518  -3.123  -8.856
  222   2HD1  ILE  28          2HD1      ILE  28  -0.671  -2.990 -10.602
  223   3HD1  ILE  28          3HD1      ILE  28  -0.527  -4.565  -9.854
  224    H    CYS  29           H        CYS  29   3.024   0.467 -10.242
  225    HA   CYS  29           HA       CYS  29   4.538   1.544  -7.900
  226   1HB   CYS  29          1HB       CYS  29   5.472   2.228 -10.055
  227   2HB   CYS  29          2HB       CYS  29   3.908   2.775 -10.601
  228    H    THR  30           H        THR  30   3.070   1.788  -6.365
  229    HA   THR  30           HA       THR  30   0.969   3.782  -6.659
  230    HB   THR  30           HB       THR  30  -0.204   1.781  -7.607
  231    HG1  THR  30           HG1      THR  30  -1.041   3.296  -5.801
  232   1HG2  THR  30          1HG2      THR  30   0.371   0.447  -4.899
  233   2HG2  THR  30          2HG2      THR  30  -0.600  -0.227  -6.198
  234   3HG2  THR  30          3HG2      THR  30   1.128  -0.019  -6.410
  235    H    ASN  31           H        ASN  31  -0.365   3.770  -4.441
  236    HA   ASN  31           HA       ASN  31   1.382   3.030  -2.167
  237   1HB   ASN  31          1HB       ASN  31   1.054   5.407  -1.244
  238   2HB   ASN  31          2HB       ASN  31   2.094   5.336  -2.647
  239   1HD2  ASN  31          2HD2      ASN  31  -0.198   7.228  -1.425
  240   2HD2  ASN  31          1HD2      ASN  31  -0.832   7.814  -2.887
  241    H    CYS  32           H        CYS  32   0.346   2.772  -0.245
  242    HA   CYS  32           HA       CYS  32  -2.197   1.693  -0.150
  243   1HB   CYS  32          1HB       CYS  32  -0.790   1.366   1.738
  244   2HB   CYS  32          2HB       CYS  32  -0.560   3.080   1.982
  245    H    CYS  33           H        CYS  33  -1.354   5.063   0.436
  246    HA   CYS  33           HA       CYS  33  -3.943   6.001   1.170
  247   1HB   CYS  33          1HB       CYS  33  -1.832   7.244   1.482
  248   2HB   CYS  33          2HB       CYS  33  -1.691   7.450  -0.238
  249    H    ALA  34           H        ALA  34  -2.321   5.885  -1.988
  250    HA   ALA  34           HA       ALA  34  -4.472   7.041  -3.491
  251   1HB   ALA  34          1HB       ALA  34  -2.311   5.091  -4.398
  252   2HB   ALA  34          2HB       ALA  34  -3.322   6.051  -5.468
  253   3HB   ALA  34          3HB       ALA  34  -2.195   6.849  -4.389
  254    H    GLY  35           H        GLY  35  -4.030   3.978  -2.102
  255   1HA   GLY  35          1HA       GLY  35  -5.415   2.168  -3.608
  256   2HA   GLY  35          2HA       GLY  35  -5.387   2.150  -1.863
  257    H    THR  36           H        THR  36  -7.537   1.073  -2.736
  258    HA   THR  36           HA       THR  36  -9.695   3.058  -2.313
  259    HB   THR  36           HB       THR  36 -10.113   0.927  -4.355
  260    HG1  THR  36           HG1      THR  36  -8.191   1.937  -4.982
  261   1HG2  THR  36          1HG2      THR  36 -10.902   3.902  -4.274
  262   2HG2  THR  36          2HG2      THR  36 -11.473   2.730  -5.450
  263   3HG2  THR  36          3HG2      THR  36 -11.983   2.614  -3.782
  264    H    LYS  37           H        LYS  37 -11.812   1.322  -2.574
  265    HA   LYS  37           HA       LYS  37 -11.621  -0.279  -0.116
  266   1HB   LYS  37          1HB       LYS  37 -14.076  -0.962  -1.491
  267   2HB   LYS  37          2HB       LYS  37 -13.881  -0.014  -0.049
  268   1HG   LYS  37          1HG       LYS  37 -15.126   1.359  -1.484
  269   2HG   LYS  37          2HG       LYS  37 -13.510   2.017  -1.579
  270   1HD   LYS  37          1HD       LYS  37 -13.113   0.718  -3.703
  271   2HD   LYS  37          2HD       LYS  37 -14.732   0.068  -3.574
  272   1HE   LYS  37          1HE       LYS  37 -15.717   2.299  -3.780
  273   2HE   LYS  37          2HE       LYS  37 -14.128   3.049  -3.785
  274   1HZ   LYS  37          1HZ       LYS  37 -15.111   1.108  -5.795
  275   2HZ   LYS  37          2HZ       LYS  37 -15.038   2.792  -6.003
  276   3HZ   LYS  37          3HZ       LYS  37 -13.607   1.897  -5.814
  277    H    GLY  38           H        GLY  38 -11.802  -2.461   0.067
  278   1HA   GLY  38          1HA       GLY  38 -11.677  -4.714  -0.532
  279   2HA   GLY  38          2HA       GLY  38 -12.090  -4.265  -2.178
  280    H    CYS  39           H        CYS  39  -9.667  -2.336  -2.028
  281    HA   CYS  39           HA       CYS  39  -7.802  -4.063  -3.316
  282   1HB   CYS  39          1HB       CYS  39  -7.327  -1.348  -2.112
  283   2HB   CYS  39          2HB       CYS  39  -6.365  -2.127  -3.330
  284    H    LYS  40           H        LYS  40  -5.708  -4.570  -2.713
  285    HA   LYS  40           HA       LYS  40  -5.114  -4.642   0.209
  286   1HB   LYS  40          1HB       LYS  40  -4.916  -7.010  -1.709
  287   2HB   LYS  40          2HB       LYS  40  -4.388  -7.018  -0.033
  288   1HG   LYS  40          1HG       LYS  40  -6.733  -6.494   0.686
  289   2HG   LYS  40          2HG       LYS  40  -7.247  -6.554  -0.992
  290   1HD   LYS  40          1HD       LYS  40  -6.485  -8.918  -1.153
  291   2HD   LYS  40          2HD       LYS  40  -5.996  -8.873   0.533
  292   1HE   LYS  40          1HE       LYS  40  -8.842  -8.431  -0.478
  293   2HE   LYS  40          2HE       LYS  40  -8.248  -9.894   0.293
  294   1HZ   LYS  40          1HZ       LYS  40  -7.617  -8.381   2.206
  295   2HZ   LYS  40          2HZ       LYS  40  -8.622  -7.223   1.477
  296   3HZ   LYS  40          3HZ       LYS  40  -9.267  -8.711   1.979
  297    H    TYR  41           H        TYR  41  -3.444  -3.378   0.273
  298    HA   TYR  41           HA       TYR  41  -1.328  -3.423  -1.748
  299   1HB   TYR  41          1HB       TYR  41  -2.165  -1.537   0.460
  300   2HB   TYR  41          2HB       TYR  41  -0.563  -1.428  -0.216
  301    HD1  TYR  41           HD1      TYR  41  -4.071  -1.872  -1.616
  302    HD2  TYR  41           HD2      TYR  41  -0.342   0.182  -1.832
  303    HE1  TYR  41           HE1      TYR  41  -4.897  -0.539  -3.498
  304    HE2  TYR  41           HE2      TYR  41  -1.174   1.496  -3.693
  305    HH   TYR  41           HH       TYR  41  -4.419   1.004  -5.026
  306    H    PHE  42           H        PHE  42   0.335  -4.693  -1.444
  307    HA   PHE  42           HA       PHE  42   1.426  -5.187   1.262
  308   1HB   PHE  42          1HB       PHE  42   2.170  -7.389  -0.380
  309   2HB   PHE  42          2HB       PHE  42   1.027  -7.342   0.938
  310    HD1  PHE  42           HD1      PHE  42   1.018  -6.335  -2.663
  311    HD2  PHE  42           HD2      PHE  42  -1.036  -8.252   0.540
  312    HE1  PHE  42           HE1      PHE  42  -0.828  -6.866  -4.148
  313    HE2  PHE  42           HE2      PHE  42  -2.893  -8.789  -0.964
  314    HZ   PHE  42           HZ       PHE  42  -2.799  -8.102  -3.314
  315    H    SER  43           H        SER  43   3.576  -5.362   1.484
  316    HA   SER  43           HA       SER  43   5.262  -3.826  -0.231
  317   1HB   SER  43          1HB       SER  43   5.745  -5.514   2.225
  318   2HB   SER  43          2HB       SER  43   6.927  -4.460   1.505
  319    HG   SER  43           HG       SER  43   5.235  -2.795   1.634
  320    H    ASP  44           H        ASP  44   7.523  -4.767  -0.328
  321    HA   ASP  44           HA       ASP  44   7.446  -7.018  -2.251
  322   1HB   ASP  44          1HB       ASP  44   8.840  -4.600  -2.228
  323   2HB   ASP  44          2HB       ASP  44  10.078  -5.720  -1.696
  324    H    ASP  45           H        ASP  45   8.190  -6.373   0.948
  325    HA   ASP  45           HA       ASP  45  10.176  -8.416   1.445
  326   1HB   ASP  45          1HB       ASP  45   9.977  -6.413   2.865
  327   2HB   ASP  45          2HB       ASP  45   8.320  -6.814   3.263
  328    H    GLY  46           H        GLY  46   7.058  -8.782   0.470
  329   1HA   GLY  46          1HA       GLY  46   5.647 -10.563   0.449
  330   2HA   GLY  46          2HA       GLY  46   6.902 -11.510   1.278
  331    H    THR  47           H        THR  47   5.102  -8.584   2.076
  332    HA   THR  47           HA       THR  47   3.691  -9.776   4.233
  333    HB   THR  47           HB       THR  47   6.078  -9.064   4.853
  334    HG1  THR  47           HG1      THR  47   4.286  -9.378   6.342
  335   1HG2  THR  47          1HG2      THR  47   4.805  -6.274   4.876
  336   2HG2  THR  47          2HG2      THR  47   6.380  -6.685   5.531
  337   3HG2  THR  47          3HG2      THR  47   6.099  -6.801   3.805
  338    H    PHE  48           H        PHE  48   1.925  -8.626   4.815
  339    HA   PHE  48           HA       PHE  48   0.843  -6.812   2.845
  340   1HB   PHE  48          1HB       PHE  48  -0.483  -8.620   3.795
  341   2HB   PHE  48          2HB       PHE  48  -0.287  -7.959   5.408
  342    HD1  PHE  48           HD1      PHE  48  -1.418  -6.812   2.010
  343    HD2  PHE  48           HD2      PHE  48  -2.037  -6.662   6.225
  344    HE1  PHE  48           HE1      PHE  48  -3.400  -5.419   1.671
  345    HE2  PHE  48           HE2      PHE  48  -4.021  -5.264   5.879
  346    HZ   PHE  48           HZ       PHE  48  -4.694  -4.648   3.608
  347    H    VAL  49           H        VAL  49   0.342  -4.753   2.944
  348    HA   VAL  49           HA       VAL  49   1.331  -3.154   5.265
  349    HB   VAL  49           HB       VAL  49   0.727  -2.241   2.411
  350   1HG1  VAL  49          1HG1      VAL  49   2.129  -0.812   4.713
  351   2HG1  VAL  49          2HG1      VAL  49   1.945  -0.193   3.082
  352   3HG1  VAL  49          3HG1      VAL  49   0.534  -0.408   4.097
  353   1HG2  VAL  49          1HG2      VAL  49   2.641  -3.828   2.570
  354   2HG2  VAL  49          2HG2      VAL  49   3.188  -2.213   2.185
  355   3HG2  VAL  49          3HG2      VAL  49   3.357  -2.828   3.820
  356    H    CYS  50           H        CYS  50  -1.360  -2.673   2.865
  357    HA   CYS  50           HA       CYS  50  -3.267  -2.416   5.090
  358   1HB   CYS  50          1HB       CYS  50  -3.602  -0.135   5.071
  359   2HB   CYS  50          2HB       CYS  50  -1.951  -0.090   4.523
  360    H    GLU  51           H        GLU  51  -5.506  -1.864   4.268
  361    HA   GLU  51           HA       GLU  51  -5.925  -3.333   1.757
  362   1HB   GLU  51          1HB       GLU  51  -8.268  -2.380   3.403
  363   2HB   GLU  51          2HB       GLU  51  -7.969  -3.902   2.607
  364   1HG   GLU  51          1HG       GLU  51  -6.510  -4.643   4.432
  365   2HG   GLU  51          2HG       GLU  51  -6.660  -3.081   5.226
  366    H    GLY  52           H        GLY  52  -4.947  -1.320   0.729
  367   1HA   GLY  52          1HA       GLY  52  -5.228   0.511  -0.677
  368   2HA   GLY  52          2HA       GLY  52  -6.932   0.103  -0.704
  369    H    GLU  53           H        GLU  53  -8.000   1.960  -0.302
  370    HA   GLU  53           HA       GLU  53  -7.463   3.326   2.257
  371   1HB   GLU  53          1HB       GLU  53  -6.011   4.466   0.545
  372   2HB   GLU  53          2HB       GLU  53  -7.447   4.875  -0.365
  373   1HG   GLU  53          1HG       GLU  53  -6.682   6.776   1.059
  374   2HG   GLU  53          2HG       GLU  53  -8.292   6.256   1.503
  375    H    SER  54           H        SER  54  -9.629   3.059  -0.558
  376    HA   SER  54           HA       SER  54 -11.677   4.639   0.881
  377   1HB   SER  54          1HB       SER  54 -11.780   3.200  -1.803
  378   2HB   SER  54          2HB       SER  54 -13.012   4.313  -1.194
  379    HG   SER  54           HG       SER  54 -10.442   4.807  -2.087
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -10.688  11.208  -4.093
    2   2H    MET   1          2H        MET   1 -10.726  12.856  -4.503
    3   3H    MET   1          3H        MET   1  -9.418  12.230  -3.618
    4    HA   MET   1           HA       MET   1 -10.810  13.420  -2.139
    5   1HB   MET   1          1HB       MET   1 -12.901  12.385  -3.800
    6   2HB   MET   1          2HB       MET   1 -13.178  11.668  -2.228
    7   1HG   MET   1          1HG       MET   1 -13.025  13.945  -1.208
    8   2HG   MET   1          2HG       MET   1 -12.834  14.620  -2.801
    9   1HE   MET   1          1HE       MET   1 -15.187  12.199  -0.817
   10   2HE   MET   1          2HE       MET   1 -15.191  13.782   0.000
   11   3HE   MET   1          3HE       MET   1 -16.639  13.179  -0.787
   12    H    LYS   2           H        LYS   2 -10.498  12.804  -0.123
   13    HA   LYS   2           HA       LYS   2  -9.708  11.520   1.641
   14   1HB   LYS   2          1HB       LYS   2 -11.875   9.621   0.560
   15   2HB   LYS   2          2HB       LYS   2 -11.201   9.569   2.180
   16   1HG   LYS   2          1HG       LYS   2 -12.073  11.840   2.650
   17   2HG   LYS   2          2HG       LYS   2 -12.680  11.972   1.012
   18   1HD   LYS   2          1HD       LYS   2 -14.533  11.385   2.476
   19   2HD   LYS   2          2HD       LYS   2 -14.199  10.026   1.424
   20   1HE   LYS   2          1HE       LYS   2 -12.946   8.897   3.257
   21   2HE   LYS   2          2HE       LYS   2 -13.218  10.284   4.304
   22   1HZ   LYS   2          1HZ       LYS   2 -15.594   9.909   4.100
   23   2HZ   LYS   2          2HZ       LYS   2 -15.307   8.554   3.115
   24   3HZ   LYS   2          3HZ       LYS   2 -14.799   8.548   4.735
   25    H    ALA   3           H        ALA   3  -7.937  11.382  -0.090
   26    HA   ALA   3           HA       ALA   3  -6.578   8.994   0.300
   27   1HB   ALA   3          1HB       ALA   3  -7.672   9.396  -2.537
   28   2HB   ALA   3          2HB       ALA   3  -6.483   8.177  -2.129
   29   3HB   ALA   3          3HB       ALA   3  -8.102   8.068  -1.475
   30    H    CYS   4           H        CYS   4  -4.464   9.083  -0.275
   31    HA   CYS   4           HA       CYS   4  -3.236  11.628  -0.523
   32   1HB   CYS   4          1HB       CYS   4  -2.405   8.789  -0.468
   33   2HB   CYS   4          2HB       CYS   4  -1.244   9.846  -1.198
   34    H    THR   5           H        THR   5  -1.214  11.566  -2.215
   35    HA   THR   5           HA       THR   5  -2.260  12.420  -4.694
   36    HB   THR   5           HB       THR   5   0.651  11.736  -3.966
   37    HG1  THR   5           HG1      THR   5  -0.360  13.011  -2.407
   38   1HG2  THR   5          1HG2      THR   5  -0.609  13.966  -5.643
   39   2HG2  THR   5          2HG2      THR   5   1.113  13.678  -5.410
   40   3HG2  THR   5          3HG2      THR   5   0.156  12.558  -6.369
   41    H    LEU   6           H        LEU   6  -2.131   9.326  -3.746
   42    HA   LEU   6           HA       LEU   6  -2.354   7.295  -4.809
   43   1HB   LEU   6          1HB       LEU   6  -2.189   8.725  -7.490
   44   2HB   LEU   6          2HB       LEU   6  -2.979   7.212  -7.115
   45    HG   LEU   6           HG       LEU   6  -3.905   9.977  -6.215
   46   1HD1  LEU   6          1HD1      LEU   6  -4.357   9.481  -8.584
   47   2HD1  LEU   6          2HD1      LEU   6  -5.130   7.967  -8.139
   48   3HD1  LEU   6          3HD1      LEU   6  -5.852   9.497  -7.666
   49   1HD2  LEU   6          1HD2      LEU   6  -5.161   7.262  -5.632
   50   2HD2  LEU   6          2HD2      LEU   6  -4.411   8.334  -4.454
   51   3HD2  LEU   6          3HD2      LEU   6  -5.882   8.823  -5.264
   52    H    ASN   7           H        ASN   7   0.344   9.174  -5.069
   53    HA   ASN   7           HA       ASN   7   2.000   8.017  -6.904
   54   1HB   ASN   7          1HB       ASN   7   2.677   9.178  -4.178
   55   2HB   ASN   7          2HB       ASN   7   3.849   8.919  -5.460
   56   1HD2  ASN   7          2HD2      ASN   7   3.511  11.490  -4.507
   57   2HD2  ASN   7          1HD2      ASN   7   2.724  12.448  -5.667
   58    H    CYS   8           H        CYS   8   4.016   6.873  -6.385
   59    HA   CYS   8           HA       CYS   8   3.390   4.233  -5.270
   60   1HB   CYS   8          1HB       CYS   8   6.190   4.683  -6.025
   61   2HB   CYS   8          2HB       CYS   8   5.079   3.470  -6.562
   62    H    ASP   9           H        ASP   9   3.920   3.530  -3.326
   63    HA   ASP   9           HA       ASP   9   5.491   5.278  -1.512
   64   1HB   ASP   9          1HB       ASP   9   3.251   4.468  -0.796
   65   2HB   ASP   9          2HB       ASP   9   3.795   2.814  -0.934
   66    HA   PRO  10           HA       PRO  10   8.885   2.765  -2.919
   67   1HB   PRO  10          1HB       PRO  10  10.548   3.509  -0.642
   68   2HB   PRO  10          2HB       PRO  10  10.686   4.003  -2.321
   69   1HG   PRO  10          1HG       PRO  10   9.687   5.539  -0.109
   70   2HG   PRO  10          2HG       PRO  10   9.832   6.040  -1.787
   71   1HD   PRO  10          1HD       PRO  10   7.418   5.480  -0.349
   72   2HD   PRO  10          2HD       PRO  10   7.568   5.881  -2.066
   73    H    ARG  11           H        ARG  11   7.830   2.497   0.359
   74    HA   ARG  11           HA       ARG  11   9.213  -0.014   0.890
   75   1HB   ARG  11          1HB       ARG  11   7.697  -0.018   2.937
   76   2HB   ARG  11          2HB       ARG  11   8.799   1.329   2.789
   77   1HG   ARG  11          1HG       ARG  11   7.154   2.871   2.276
   78   2HG   ARG  11          2HG       ARG  11   6.051   1.689   1.597
   79   1HD   ARG  11          1HD       ARG  11   6.727   1.965   4.553
   80   2HD   ARG  11          2HD       ARG  11   5.231   2.501   3.778
   81    HE   ARG  11           HE       ARG  11   5.558  -0.165   3.029
   82   1HH1  ARG  11          1HH1      ARG  11   5.202   1.635   5.969
   83   2HH1  ARG  11          2HH1      ARG  11   4.439   0.333   6.817
   84   1HH2  ARG  11          1HH2      ARG  11   4.597  -1.832   4.082
   85   2HH2  ARG  11          2HH2      ARG  11   4.084  -1.668   5.729
   86    H    ILE  12           H        ILE  12   6.049   0.937  -0.257
   87    HA   ILE  12           HA       ILE  12   4.876  -1.722  -0.014
   88    HB   ILE  12           HB       ILE  12   3.910   0.761  -1.442
   89   1HG1  ILE  12          1HG1      ILE  12   3.318  -0.610   1.229
   90   2HG1  ILE  12          2HG1      ILE  12   4.108   0.926   1.023
   91   1HG2  ILE  12          1HG2      ILE  12   2.936  -1.334  -2.470
   92   2HG2  ILE  12          2HG2      ILE  12   2.443  -1.877  -0.874
   93   3HG2  ILE  12          3HG2      ILE  12   1.720  -0.447  -1.592
   94   1HD1  ILE  12          1HD1      ILE  12   2.036   1.847   0.056
   95   2HD1  ILE  12          2HD1      ILE  12   1.231   0.300   0.315
   96   3HD1  ILE  12          3HD1      ILE  12   1.794   1.238   1.689
   97    H    ALA  13           H        ALA  13   4.532  -3.158  -1.717
   98    HA   ALA  13           HA       ALA  13   6.358  -2.894  -4.046
   99   1HB   ALA  13          1HB       ALA  13   4.725  -5.275  -3.067
  100   2HB   ALA  13          2HB       ALA  13   5.883  -5.308  -4.385
  101   3HB   ALA  13          3HB       ALA  13   6.430  -4.992  -2.756
  102    H    TYR  14           H        TYR  14   3.059  -3.997  -3.418
  103    HA   TYR  14           HA       TYR  14   1.947  -2.362  -5.548
  104   1HB   TYR  14          1HB       TYR  14   1.229  -4.297  -7.009
  105   2HB   TYR  14          2HB       TYR  14   2.966  -4.105  -6.971
  106    HD1  TYR  14           HD1      TYR  14   0.158  -6.207  -5.851
  107    HD2  TYR  14           HD2      TYR  14   4.389  -5.758  -5.920
  108    HE1  TYR  14           HE1      TYR  14   0.418  -8.532  -5.143
  109    HE2  TYR  14           HE2      TYR  14   4.648  -8.083  -5.212
  110    HH   TYR  14           HH       TYR  14   2.508 -10.339  -5.483
  111    H    GLY  15           H        GLY  15  -0.316  -3.687  -6.129
  112   1HA   GLY  15          1HA       GLY  15  -1.602  -4.727  -3.741
  113   2HA   GLY  15          2HA       GLY  15  -2.105  -3.089  -4.144
  114    H    VAL  16           H        VAL  16  -3.719  -5.370  -4.063
  115    HA   VAL  16           HA       VAL  16  -4.588  -5.578  -6.937
  116    HB   VAL  16           HB       VAL  16  -5.108  -7.700  -4.812
  117   1HG1  VAL  16          1HG1      VAL  16  -5.193  -7.752  -7.875
  118   2HG1  VAL  16          2HG1      VAL  16  -5.557  -9.113  -6.826
  119   3HG1  VAL  16          3HG1      VAL  16  -6.604  -7.708  -6.830
  120   1HG2  VAL  16          1HG2      VAL  16  -2.651  -7.469  -5.196
  121   2HG2  VAL  16          2HG2      VAL  16  -3.267  -8.987  -5.798
  122   3HG2  VAL  16          3HG2      VAL  16  -2.900  -7.676  -6.916
  123    H    CYS  17           H        CYS  17  -6.742  -5.435  -7.340
  124    HA   CYS  17           HA       CYS  17  -8.586  -4.772  -5.092
  125   1HB   CYS  17          1HB       CYS  17  -8.490  -3.241  -7.726
  126   2HB   CYS  17          2HB       CYS  17  -9.377  -2.813  -6.300
  127    HA   PRO  18           HA       PRO  18 -11.572  -7.321  -7.266
  128   1HB   PRO  18          1HB       PRO  18 -13.329  -5.044  -8.044
  129   2HB   PRO  18          2HB       PRO  18 -13.708  -6.495  -7.123
  130   1HG   PRO  18          1HG       PRO  18 -13.410  -4.030  -5.964
  131   2HG   PRO  18          2HG       PRO  18 -13.064  -5.530  -5.111
  132   1HD   PRO  18          1HD       PRO  18 -11.191  -3.526  -6.241
  133   2HD   PRO  18          2HD       PRO  18 -10.919  -4.642  -4.884
  134    H    ARG  19           H        ARG  19 -12.870  -7.490  -9.365
  135    HA   ARG  19           HA       ARG  19 -12.604  -8.051 -11.618
  136   1HB   ARG  19          1HB       ARG  19 -12.271  -5.723 -13.002
  137   2HB   ARG  19          2HB       ARG  19 -13.763  -6.168 -12.226
  138   1HG   ARG  19          1HG       ARG  19 -13.242  -4.751 -10.276
  139   2HG   ARG  19          2HG       ARG  19 -11.682  -4.339 -10.980
  140   1HD   ARG  19          1HD       ARG  19 -13.248  -2.557 -11.401
  141   2HD   ARG  19          2HD       ARG  19 -12.802  -3.315 -12.921
  142    HE   ARG  19           HE       ARG  19 -15.423  -3.557 -11.523
  143   1HH1  ARG  19          1HH1      ARG  19 -13.424  -4.345 -14.260
  144   2HH1  ARG  19          2HH1      ARG  19 -14.769  -4.874 -15.210
  145   1HH2  ARG  19          1HH2      ARG  19 -17.112  -4.228 -12.716
  146   2HH2  ARG  19          2HH2      ARG  19 -16.876  -4.813 -14.330
  147    H    SER  20           H        SER  20 -10.340  -8.454 -10.237
  148    HA   SER  20           HA       SER  20  -8.043  -8.787 -10.308
  149   1HB   SER  20          1HB       SER  20  -7.323  -9.819 -12.508
  150   2HB   SER  20          2HB       SER  20  -8.903 -10.420 -11.997
  151    HG   SER  20           HG       SER  20  -9.884  -9.015 -13.382
  152    H    GLU  21           H        GLU  21  -7.901  -6.423  -9.862
  153    HA   GLU  21           HA       GLU  21  -6.964  -4.656 -11.892
  154   1HB   GLU  21          1HB       GLU  21  -8.201  -3.865  -9.959
  155   2HB   GLU  21          2HB       GLU  21  -7.033  -4.553  -8.863
  156   1HG   GLU  21          1HG       GLU  21  -6.257  -2.366 -10.828
  157   2HG   GLU  21          2HG       GLU  21  -6.969  -1.975  -9.276
  158    H    GLU  22           H        GLU  22  -5.204  -5.438 -12.868
  159    HA   GLU  22           HA       GLU  22  -3.018  -5.950 -13.336
  160   1HB   GLU  22          1HB       GLU  22  -2.981  -3.762 -11.694
  161   2HB   GLU  22          2HB       GLU  22  -1.959  -4.835 -10.768
  162   1HG   GLU  22          1HG       GLU  22  -1.540  -4.182 -13.727
  163   2HG   GLU  22          2HG       GLU  22  -0.749  -3.322 -12.422
  164    H    LYS  23           H        LYS  23  -1.514  -7.488 -13.142
  165    HA   LYS  23           HA       LYS  23  -2.050  -9.758 -11.523
  166   1HB   LYS  23          1HB       LYS  23   0.116  -8.855 -13.407
  167   2HB   LYS  23          2HB       LYS  23   0.584 -10.133 -12.306
  168   1HG   LYS  23          1HG       LYS  23  -1.989 -10.388 -13.882
  169   2HG   LYS  23          2HG       LYS  23  -0.468 -10.656 -14.691
  170   1HD   LYS  23          1HD       LYS  23  -1.356 -12.797 -13.910
  171   2HD   LYS  23          2HD       LYS  23   0.133 -12.431 -13.074
  172   1HE   LYS  23          1HE       LYS  23  -1.562 -13.350 -11.536
  173   2HE   LYS  23          2HE       LYS  23  -1.151 -11.713 -11.071
  174   1HZ   LYS  23          1HZ       LYS  23  -3.224 -11.441 -12.843
  175   2HZ   LYS  23          2HZ       LYS  23  -3.641 -12.798 -11.912
  176   3HZ   LYS  23          3HZ       LYS  23  -3.313 -11.318 -11.151
  177    H    LYS  24           H        LYS  24  -1.006 -10.511  -9.656
  178    HA   LYS  24           HA       LYS  24   0.103  -8.375  -7.946
  179   1HB   LYS  24          1HB       LYS  24   0.048 -10.671  -6.334
  180   2HB   LYS  24          2HB       LYS  24  -1.236  -9.522  -6.481
  181   1HG   LYS  24          1HG       LYS  24  -1.075 -11.973  -8.258
  182   2HG   LYS  24          2HG       LYS  24  -1.861 -11.991  -6.698
  183   1HD   LYS  24          1HD       LYS  24  -3.387 -10.113  -7.517
  184   2HD   LYS  24          2HD       LYS  24  -2.727 -10.312  -9.120
  185   1HE   LYS  24          1HE       LYS  24  -4.164 -12.450  -7.513
  186   2HE   LYS  24          2HE       LYS  24  -4.784 -11.604  -8.922
  187   1HZ   LYS  24          1HZ       LYS  24  -2.315 -12.696  -9.602
  188   2HZ   LYS  24          2HZ       LYS  24  -3.218 -13.909  -8.830
  189   3HZ   LYS  24          3HZ       LYS  24  -3.853 -13.112 -10.189
  190    H    ASN  25           H        ASN  25   1.892  -8.584  -9.716
  191    HA   ASN  25           HA       ASN  25   4.246  -9.501  -8.369
  192   1HB   ASN  25          1HB       ASN  25   2.894 -11.370 -10.228
  193   2HB   ASN  25          2HB       ASN  25   4.554 -11.115 -10.691
  194   1HD2  ASN  25          2HD2      ASN  25   2.624 -13.035  -8.781
  195   2HD2  ASN  25          1HD2      ASN  25   3.783 -13.559  -7.655
  196    H    ASP  26           H        ASP  26   3.244  -7.087  -9.826
  197    HA   ASP  26           HA       ASP  26   5.699  -6.741 -11.484
  198   1HB   ASP  26          1HB       ASP  26   3.169  -5.556 -12.640
  199   2HB   ASP  26          2HB       ASP  26   4.573  -6.196 -13.468
  200    H    ARG  27           H        ARG  27   5.312  -5.827  -9.021
  201    HA   ARG  27           HA       ARG  27   4.987  -3.901  -7.653
  202   1HB   ARG  27          1HB       ARG  27   7.333  -4.205  -7.890
  203   2HB   ARG  27          2HB       ARG  27   7.346  -3.606  -9.530
  204   1HG   ARG  27          1HG       ARG  27   6.377  -1.525  -7.666
  205   2HG   ARG  27          2HG       ARG  27   7.920  -2.157  -7.156
  206   1HD   ARG  27          1HD       ARG  27   8.962  -1.608  -9.276
  207   2HD   ARG  27          2HD       ARG  27   7.421  -1.154  -9.991
  208    HE   ARG  27           HE       ARG  27   8.077   0.320  -7.551
  209   1HH1  ARG  27          1HH1      ARG  27   8.387   0.169 -11.004
  210   2HH1  ARG  27          2HH1      ARG  27   8.665   1.870 -11.161
  211   1HH2  ARG  27          1HH2      ARG  27   8.427   2.469  -7.732
  212   2HH2  ARG  27          2HH2      ARG  27   8.691   3.192  -9.284
  213    H    ILE  28           H        ILE  28   2.913  -2.930  -8.263
  214    HA   ILE  28           HA       ILE  28   2.770  -1.038 -10.401
  215    HB   ILE  28           HB       ILE  28   0.802  -1.099  -8.152
  216   1HG1  ILE  28          1HG1      ILE  28   0.720  -3.144 -10.438
  217   2HG1  ILE  28          2HG1      ILE  28   1.429  -3.643  -8.937
  218   1HG2  ILE  28          1HG2      ILE  28   0.536  -0.953 -11.154
  219   2HG2  ILE  28          2HG2      ILE  28  -0.812  -0.885 -10.026
  220   3HG2  ILE  28          3HG2      ILE  28   0.370   0.392 -10.037
  221   1HD1  ILE  28          1HD1      ILE  28  -0.726  -3.076  -7.786
  222   2HD1  ILE  28          2HD1      ILE  28  -1.445  -2.753  -9.351
  223   3HD1  ILE  28          3HD1      ILE  28  -0.872  -4.364  -8.966
  224    H    CYS  29           H        CYS  29   1.775   1.155  -9.639
  225    HA   CYS  29           HA       CYS  29   3.584   2.364  -7.589
  226   1HB   CYS  29          1HB       CYS  29   3.959   3.283  -9.817
  227   2HB   CYS  29          2HB       CYS  29   2.251   3.576 -10.034
  228    H    THR  30           H        THR  30   2.359   2.110  -5.817
  229    HA   THR  30           HA       THR  30   0.017   3.859  -5.556
  230    HB   THR  30           HB       THR  30  -0.998   1.715  -6.391
  231    HG1  THR  30           HG1      THR  30  -1.341   2.081  -3.605
  232   1HG2  THR  30          1HG2      THR  30   0.158   0.459  -3.834
  233   2HG2  THR  30          2HG2      THR  30  -0.885  -0.330  -5.005
  234   3HG2  THR  30          3HG2      THR  30   0.754   0.103  -5.449
  235    H    ASN  31           H        ASN  31  -0.774   3.891  -3.336
  236    HA   ASN  31           HA       ASN  31   1.212   3.200  -1.250
  237   1HB   ASN  31          1HB       ASN  31   1.035   5.563  -0.345
  238   2HB   ASN  31          2HB       ASN  31   1.814   5.505  -1.911
  239   1HD2  ASN  31          2HD2      ASN  31  -0.008   7.543  -0.414
  240   2HD2  ASN  31          1HD2      ASN  31  -1.036   8.024  -1.675
  241    H    CYS  32           H        CYS  32   0.340   2.739   0.704
  242    HA   CYS  32           HA       CYS  32  -2.331   1.921   0.955
  243   1HB   CYS  32          1HB       CYS  32  -0.766   1.082   2.534
  244   2HB   CYS  32          2HB       CYS  32  -0.269   2.681   3.027
  245    H    CYS  33           H        CYS  33  -0.950   5.056   1.836
  246    HA   CYS  33           HA       CYS  33  -3.196   6.128   3.191
  247   1HB   CYS  33          1HB       CYS  33  -1.131   7.325   3.265
  248   2HB   CYS  33          2HB       CYS  33  -1.039   7.430   1.526
  249    H    ALA  34           H        ALA  34  -2.482   5.944  -0.239
  250    HA   ALA  34           HA       ALA  34  -4.752   7.546  -1.074
  251   1HB   ALA  34          1HB       ALA  34  -3.054   5.544  -2.619
  252   2HB   ALA  34          2HB       ALA  34  -4.215   6.641  -3.332
  253   3HB   ALA  34          3HB       ALA  34  -2.789   7.281  -2.530
  254    H    GLY  35           H        GLY  35  -4.097   4.137  -1.697
  255   1HA   GLY  35          1HA       GLY  35  -5.433   2.261  -1.734
  256   2HA   GLY  35          2HA       GLY  35  -6.373   3.083  -0.516
  257    H    THR  36           H        THR  36  -7.495   1.371  -2.435
  258    HA   THR  36           HA       THR  36  -9.358   3.214  -3.754
  259    HB   THR  36           HB       THR  36  -8.370   0.887  -5.396
  260    HG1  THR  36           HG1      THR  36  -7.148   3.425  -5.000
  261   1HG2  THR  36          1HG2      THR  36  -9.099   3.778  -6.121
  262   2HG2  THR  36          2HG2      THR  36  -8.810   2.478  -7.263
  263   3HG2  THR  36          3HG2      THR  36 -10.235   2.451  -6.247
  264    H    LYS  37           H        LYS  37 -11.050   1.612  -4.898
  265    HA   LYS  37           HA       LYS  37 -12.763   0.518  -3.135
  266   1HB   LYS  37          1HB       LYS  37 -12.453  -1.151  -5.625
  267   2HB   LYS  37          2HB       LYS  37 -13.897  -0.502  -4.890
  268   1HG   LYS  37          1HG       LYS  37 -11.835   1.076  -6.493
  269   2HG   LYS  37          2HG       LYS  37 -13.409   0.564  -7.047
  270   1HD   LYS  37          1HD       LYS  37 -14.548   1.948  -5.373
  271   2HD   LYS  37          2HD       LYS  37 -13.020   2.415  -4.660
  272   1HE   LYS  37          1HE       LYS  37 -13.844   4.200  -6.155
  273   2HE   LYS  37          2HE       LYS  37 -12.362   3.519  -6.806
  274   1HZ   LYS  37          1HZ       LYS  37 -15.044   2.587  -7.626
  275   2HZ   LYS  37          2HZ       LYS  37 -14.220   3.845  -8.415
  276   3HZ   LYS  37          3HZ       LYS  37 -13.554   2.283  -8.381
  277    H    GLY  38           H        GLY  38 -12.150  -0.576  -1.426
  278   1HA   GLY  38          1HA       GLY  38 -11.281  -2.242  -0.036
  279   2HA   GLY  38          2HA       GLY  38 -12.288  -3.242  -1.063
  280    H    CYS  39           H        CYS  39  -9.298  -1.619  -1.913
  281    HA   CYS  39           HA       CYS  39  -8.156  -3.981  -3.100
  282   1HB   CYS  39          1HB       CYS  39  -6.820  -1.386  -2.358
  283   2HB   CYS  39          2HB       CYS  39  -6.243  -2.579  -3.481
  284    H    LYS  40           H        LYS  40  -5.816  -4.413  -2.604
  285    HA   LYS  40           HA       LYS  40  -5.209  -4.631   0.298
  286   1HB   LYS  40          1HB       LYS  40  -4.531  -7.083  -0.171
  287   2HB   LYS  40          2HB       LYS  40  -6.245  -6.742  -0.088
  288   1HG   LYS  40          1HG       LYS  40  -6.420  -6.737  -2.539
  289   2HG   LYS  40          2HG       LYS  40  -4.692  -6.929  -2.723
  290   1HD   LYS  40          1HD       LYS  40  -5.746  -9.094  -3.047
  291   2HD   LYS  40          2HD       LYS  40  -4.881  -9.154  -1.527
  292   1HE   LYS  40          1HE       LYS  40  -6.999  -8.751  -0.285
  293   2HE   LYS  40          2HE       LYS  40  -7.873  -8.629  -1.807
  294   1HZ   LYS  40          1HZ       LYS  40  -7.234 -10.895  -2.307
  295   2HZ   LYS  40          2HZ       LYS  40  -6.392 -11.003  -0.835
  296   3HZ   LYS  40          3HZ       LYS  40  -8.079 -10.807  -0.836
  297    H    TYR  41           H        TYR  41  -3.495  -3.313   0.248
  298    HA   TYR  41           HA       TYR  41  -1.428  -3.552  -1.816
  299   1HB   TYR  41          1HB       TYR  41  -1.912  -1.555   0.419
  300   2HB   TYR  41          2HB       TYR  41  -0.589  -1.484  -0.703
  301    HD1  TYR  41           HD1      TYR  41  -3.420  -2.617  -2.597
  302    HD2  TYR  41           HD2      TYR  41  -1.769   0.861  -0.772
  303    HE1  TYR  41           HE1      TYR  41  -4.743  -1.209  -4.072
  304    HE2  TYR  41           HE2      TYR  41  -3.119   2.260  -2.257
  305    HH   TYR  41           HH       TYR  41  -5.657   1.491  -3.715
  306    H    PHE  42           H        PHE  42   0.339  -4.664  -1.478
  307    HA   PHE  42           HA       PHE  42   1.335  -5.223   1.243
  308   1HB   PHE  42          1HB       PHE  42   2.228  -7.229  -0.632
  309   2HB   PHE  42          2HB       PHE  42   1.243  -7.376   0.793
  310    HD1  PHE  42           HD1      PHE  42   0.876  -6.330  -2.767
  311    HD2  PHE  42           HD2      PHE  42  -0.897  -8.240   0.603
  312    HE1  PHE  42           HE1      PHE  42  -1.048  -6.959  -4.127
  313    HE2  PHE  42           HE2      PHE  42  -2.826  -8.870  -0.764
  314    HZ   PHE  42           HZ       PHE  42  -2.912  -8.235  -3.137
  315    H    SER  43           H        SER  43   3.507  -5.304   1.562
  316    HA   SER  43           HA       SER  43   5.175  -3.631  -0.065
  317   1HB   SER  43          1HB       SER  43   5.499  -5.203   2.478
  318   2HB   SER  43          2HB       SER  43   6.816  -4.316   1.775
  319    HG   SER  43           HG       SER  43   5.497  -2.457   1.763
  320    H    ASP  44           H        ASP  44   7.485  -4.486   0.034
  321    HA   ASP  44           HA       ASP  44   7.614  -6.665  -1.965
  322   1HB   ASP  44          1HB       ASP  44   8.879  -4.203  -1.808
  323   2HB   ASP  44          2HB       ASP  44  10.148  -5.274  -1.250
  324    H    ASP  45           H        ASP  45   8.359  -6.228   1.344
  325    HA   ASP  45           HA       ASP  45  10.368  -8.345   1.494
  326   1HB   ASP  45          1HB       ASP  45  10.299  -7.969   3.895
  327   2HB   ASP  45          2HB       ASP  45  10.214  -6.399   3.121
  328    H    GLY  46           H        GLY  46   7.293  -8.627   0.657
  329   1HA   GLY  46          1HA       GLY  46   5.869 -10.386   0.533
  330   2HA   GLY  46          2HA       GLY  46   7.059 -11.371   1.400
  331    H    THR  47           H        THR  47   5.124  -8.480   2.100
  332    HA   THR  47           HA       THR  47   3.701  -9.756   4.217
  333    HB   THR  47           HB       THR  47   5.587  -7.403   4.689
  334    HG1  THR  47           HG1      THR  47   6.672  -9.302   4.720
  335   1HG2  THR  47          1HG2      THR  47   3.842  -8.943   6.717
  336   2HG2  THR  47          2HG2      THR  47   4.934  -7.626   7.113
  337   3HG2  THR  47          3HG2      THR  47   3.479  -7.309   6.185
  338    H    PHE  48           H        PHE  48   1.789  -8.840   4.583
  339    HA   PHE  48           HA       PHE  48   0.751  -6.958   2.660
  340   1HB   PHE  48          1HB       PHE  48  -0.612  -8.812   3.531
  341   2HB   PHE  48          2HB       PHE  48  -0.461  -8.189   5.162
  342    HD1  PHE  48           HD1      PHE  48  -1.315  -6.529   1.873
  343    HD2  PHE  48           HD2      PHE  48  -2.527  -7.379   5.872
  344    HE1  PHE  48           HE1      PHE  48  -3.332  -5.186   1.555
  345    HE2  PHE  48           HE2      PHE  48  -4.543  -6.029   5.541
  346    HZ   PHE  48           HZ       PHE  48  -4.953  -4.933   3.385
  347    H    VAL  49           H        VAL  49   0.197  -4.871   2.885
  348    HA   VAL  49           HA       VAL  49   1.215  -3.454   5.314
  349    HB   VAL  49           HB       VAL  49   0.537  -2.330   2.553
  350   1HG1  VAL  49          1HG1      VAL  49   1.991  -1.087   4.928
  351   2HG1  VAL  49          2HG1      VAL  49   1.779  -0.338   3.355
  352   3HG1  VAL  49          3HG1      VAL  49   0.387  -0.642   4.375
  353   1HG2  VAL  49          1HG2      VAL  49   3.193  -3.060   3.829
  354   2HG2  VAL  49          2HG2      VAL  49   2.432  -3.919   2.511
  355   3HG2  VAL  49          3HG2      VAL  49   2.991  -2.282   2.265
  356    H    CYS  50           H        CYS  50  -1.453  -2.817   2.945
  357    HA   CYS  50           HA       CYS  50  -3.429  -2.982   5.072
  358   1HB   CYS  50          1HB       CYS  50  -3.790  -0.797   5.635
  359   2HB   CYS  50          2HB       CYS  50  -2.118  -0.607   5.212
  360    H    GLU  51           H        GLU  51  -5.562  -2.257   4.320
  361    HA   GLU  51           HA       GLU  51  -5.854  -2.994   1.480
  362   1HB   GLU  51          1HB       GLU  51  -7.369  -4.303   2.651
  363   2HB   GLU  51          2HB       GLU  51  -7.558  -3.142   3.944
  364   1HG   GLU  51          1HG       GLU  51  -9.208  -1.902   2.793
  365   2HG   GLU  51          2HG       GLU  51  -8.814  -2.540   1.221
  366    H    GLY  52           H        GLY  52  -6.464  -1.648  -0.041
  367   1HA   GLY  52          1HA       GLY  52  -6.466   1.166   0.330
  368   2HA   GLY  52          2HA       GLY  52  -6.951   0.339  -1.145
  369    H    GLU  53           H        GLU  53  -8.380   2.579  -0.576
  370    HA   GLU  53           HA       GLU  53 -11.064   1.762  -0.451
  371   1HB   GLU  53          1HB       GLU  53 -10.502   1.372   2.044
  372   2HB   GLU  53          2HB       GLU  53 -10.097   3.068   2.161
  373   1HG   GLU  53          1HG       GLU  53 -12.463   3.639   1.483
  374   2HG   GLU  53          2HG       GLU  53 -12.820   1.925   1.376
  375    H    SER  54           H        SER  54 -10.303   3.105  -2.226
  376    HA   SER  54           HA       SER  54  -9.520   5.583  -2.669
  377   1HB   SER  54          1HB       SER  54 -11.455   5.990  -4.298
  378   2HB   SER  54          2HB       SER  54 -10.708   4.412  -4.499
  379    HG   SER  54           HG       SER  54 -13.078   5.103  -3.157
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -5.665   9.777   3.730
    2   2H    MET   1          2H        MET   1  -5.877   8.269   2.975
    3   3H    MET   1          3H        MET   1  -4.598   9.282   2.505
    4    HA   MET   1           HA       MET   1  -6.204   9.504   0.838
    5   1HB   MET   1          1HB       MET   1  -8.596  10.003   1.386
    6   2HB   MET   1          2HB       MET   1  -8.087   8.486   2.092
    7   1HG   MET   1          1HG       MET   1  -7.720   9.574   4.261
    8   2HG   MET   1          2HG       MET   1  -8.148  11.124   3.594
    9   1HE   MET   1          1HE       MET   1 -10.586  11.346   2.282
   10   2HE   MET   1          2HE       MET   1 -11.843  11.289   3.501
   11   3HE   MET   1          3HE       MET   1 -10.365  12.174   3.843
   12    H    LYS   2           H        LYS   2  -7.698  11.596   0.441
   13    HA   LYS   2           HA       LYS   2  -7.628  13.798  -0.035
   14   1HB   LYS   2          1HB       LYS   2  -8.514  13.572   2.364
   15   2HB   LYS   2          2HB       LYS   2  -6.947  14.146   2.906
   16   1HG   LYS   2          1HG       LYS   2  -7.199  16.191   1.575
   17   2HG   LYS   2          2HG       LYS   2  -8.704  15.592   0.897
   18   1HD   LYS   2          1HD       LYS   2  -9.592  15.474   3.311
   19   2HD   LYS   2          2HD       LYS   2  -8.152  16.371   3.783
   20   1HE   LYS   2          1HE       LYS   2  -8.730  18.108   2.082
   21   2HE   LYS   2          2HE       LYS   2 -10.199  17.206   1.718
   22   1HZ   LYS   2          1HZ       LYS   2 -10.922  17.496   3.992
   23   2HZ   LYS   2          2HZ       LYS   2  -9.505  18.355   4.364
   24   3HZ   LYS   2          3HZ       LYS   2 -10.628  19.005   3.268
   25    H    ALA   3           H        ALA   3  -6.005  14.174  -1.367
   26    HA   ALA   3           HA       ALA   3  -3.965  14.865  -2.220
   27   1HB   ALA   3          1HB       ALA   3  -4.808  16.968  -1.243
   28   2HB   ALA   3          2HB       ALA   3  -4.089  16.574   0.310
   29   3HB   ALA   3          3HB       ALA   3  -3.061  16.905  -1.077
   30    H    CYS   4           H        CYS   4  -3.207  12.646  -1.693
   31    HA   CYS   4           HA       CYS   4  -1.161  12.474   0.430
   32   1HB   CYS   4          1HB       CYS   4  -2.382  10.468  -1.453
   33   2HB   CYS   4          2HB       CYS   4  -1.173  10.086  -0.271
   34    H    THR   5           H        THR   5   0.646  10.750  -0.551
   35    HA   THR   5           HA       THR   5   2.282  12.374  -2.242
   36    HB   THR   5           HB       THR   5   2.626   9.458  -1.284
   37    HG1  THR   5           HG1      THR   5   2.274  10.978   0.367
   38   1HG2  THR   5          1HG2      THR   5   4.648  11.630  -1.980
   39   2HG2  THR   5          2HG2      THR   5   5.009   9.977  -1.479
   40   3HG2  THR   5          3HG2      THR   5   4.264  10.278  -3.046
   41    H    LEU   6           H        LEU   6   0.370   9.515  -2.656
   42    HA   LEU   6           HA       LEU   6  -0.596   8.533  -4.505
   43   1HB   LEU   6          1HB       LEU   6   0.783  10.583  -6.278
   44   2HB   LEU   6          2HB       LEU   6  -0.666   9.663  -6.607
   45    HG   LEU   6           HG       LEU   6  -0.430  11.849  -4.482
   46   1HD1  LEU   6          1HD1      LEU   6  -1.897  11.810  -7.148
   47   2HD1  LEU   6          2HD1      LEU   6  -1.953  13.113  -5.972
   48   3HD1  LEU   6          3HD1      LEU   6  -0.446  12.732  -6.785
   49   1HD2  LEU   6          1HD2      LEU   6  -2.873  10.236  -5.367
   50   2HD2  LEU   6          2HD2      LEU   6  -2.068  10.080  -3.814
   51   3HD2  LEU   6          3HD2      LEU   6  -2.887  11.571  -4.225
   52    H    ASN   7           H        ASN   7   2.813   9.416  -4.865
   53    HA   ASN   7           HA       ASN   7   3.500   7.570  -6.808
   54   1HB   ASN   7          1HB       ASN   7   5.188   8.841  -4.620
   55   2HB   ASN   7          2HB       ASN   7   5.851   8.022  -6.027
   56   1HD2  ASN   7          2HD2      ASN   7   4.373  10.972  -4.900
   57   2HD2  ASN   7          1HD2      ASN   7   4.438  11.802  -6.379
   58    H    CYS   8           H        CYS   8   5.416   5.996  -6.209
   59    HA   CYS   8           HA       CYS   8   4.224   3.811  -4.701
   60   1HB   CYS   8          1HB       CYS   8   7.078   3.482  -5.290
   61   2HB   CYS   8          2HB       CYS   8   5.732   2.501  -5.755
   62    H    ASP   9           H        ASP   9   4.521   3.361  -2.622
   63    HA   ASP   9           HA       ASP   9   6.314   5.087  -1.026
   64   1HB   ASP   9          1HB       ASP   9   3.848   4.414  -0.444
   65   2HB   ASP   9          2HB       ASP   9   4.543   2.909   0.094
   66    HA   PRO  10           HA       PRO  10   9.618   2.030  -0.961
   67   1HB   PRO  10          1HB       PRO  10  10.107   2.730   1.860
   68   2HB   PRO  10          2HB       PRO  10  11.161   2.907   0.466
   69   1HG   PRO  10          1HG       PRO  10   9.656   4.956   1.766
   70   2HG   PRO  10          2HG       PRO  10  10.623   5.117   0.308
   71   1HD   PRO  10          1HD       PRO  10   7.776   5.249   0.506
   72   2HD   PRO  10          2HD       PRO  10   8.729   5.259  -0.982
   73    H    ARG  11           H        ARG  11   7.168   2.103   1.459
   74    HA   ARG  11           HA       ARG  11   7.728  -0.594   2.476
   75   1HB   ARG  11          1HB       ARG  11   5.849  -0.246   3.958
   76   2HB   ARG  11          2HB       ARG  11   6.801   1.229   3.918
   77   1HG   ARG  11          1HG       ARG  11   5.206   1.921   1.959
   78   2HG   ARG  11          2HG       ARG  11   4.200   0.627   2.535
   79   1HD   ARG  11          1HD       ARG  11   3.755   1.651   4.605
   80   2HD   ARG  11          2HD       ARG  11   5.088   2.808   4.422
   81    HE   ARG  11           HE       ARG  11   3.496   3.079   2.163
   82   1HH1  ARG  11          1HH1      ARG  11   3.154   3.469   5.588
   83   2HH1  ARG  11          2HH1      ARG  11   1.966   4.723   5.458
   84   1HH2  ARG  11          1HH2      ARG  11   1.980   4.684   1.967
   85   2HH2  ARG  11          2HH2      ARG  11   1.287   5.423   3.372
   86    H    ILE  12           H        ILE  12   5.562   0.915   0.215
   87    HA   ILE  12           HA       ILE  12   4.019  -1.559  -0.240
   88    HB   ILE  12           HB       ILE  12   3.808   1.169  -1.577
   89   1HG1  ILE  12          1HG1      ILE  12   3.222   1.414   0.771
   90   2HG1  ILE  12          2HG1      ILE  12   1.780   1.526  -0.206
   91   1HG2  ILE  12          1HG2      ILE  12   1.900  -1.206  -1.706
   92   2HG2  ILE  12          2HG2      ILE  12   1.560   0.393  -2.348
   93   3HG2  ILE  12          3HG2      ILE  12   2.853  -0.566  -3.031
   94   1HD1  ILE  12          1HD1      ILE  12   1.205  -0.829   0.352
   95   2HD1  ILE  12          2HD1      ILE  12   2.666  -0.942   1.324
   96   3HD1  ILE  12          3HD1      ILE  12   1.381   0.153   1.796
   97    H    ALA  13           H        ALA  13   3.973  -2.699  -2.002
   98    HA   ALA  13           HA       ALA  13   6.138  -2.337  -4.055
   99   1HB   ALA  13          1HB       ALA  13   4.634  -4.873  -3.202
  100   2HB   ALA  13          2HB       ALA  13   5.907  -4.811  -4.393
  101   3HB   ALA  13          3HB       ALA  13   6.263  -4.415  -2.726
  102    H    TYR  14           H        TYR  14   2.983  -3.808  -3.518
  103    HA   TYR  14           HA       TYR  14   1.625  -2.155  -5.478
  104   1HB   TYR  14          1HB       TYR  14   1.237  -3.848  -7.216
  105   2HB   TYR  14          2HB       TYR  14   2.959  -3.722  -6.982
  106    HD1  TYR  14           HD1      TYR  14   4.180  -5.587  -5.833
  107    HD2  TYR  14           HD2      TYR  14   0.013  -5.781  -6.632
  108    HE1  TYR  14           HE1      TYR  14   4.210  -7.991  -5.470
  109    HE2  TYR  14           HE2      TYR  14   0.020  -8.164  -6.281
  110    HH   TYR  14           HH       TYR  14   1.660 -10.044  -6.357
  111    H    GLY  15           H        GLY  15  -0.435  -3.845  -6.109
  112   1HA   GLY  15          1HA       GLY  15  -1.451  -5.173  -3.726
  113   2HA   GLY  15          2HA       GLY  15  -2.238  -3.633  -4.044
  114    H    VAL  16           H        VAL  16  -3.763  -5.746  -3.955
  115    HA   VAL  16           HA       VAL  16  -4.600  -6.212  -6.798
  116    HB   VAL  16           HB       VAL  16  -4.480  -8.226  -4.496
  117   1HG1  VAL  16          1HG1      VAL  16  -5.876  -8.589  -7.174
  118   2HG1  VAL  16          2HG1      VAL  16  -5.631  -9.848  -5.976
  119   3HG1  VAL  16          3HG1      VAL  16  -6.676  -8.490  -5.613
  120   1HG2  VAL  16          1HG2      VAL  16  -2.400  -8.011  -5.836
  121   2HG2  VAL  16          2HG2      VAL  16  -3.148  -9.573  -6.113
  122   3HG2  VAL  16          3HG2      VAL  16  -3.308  -8.300  -7.310
  123    H    CYS  17           H        CYS  17  -6.731  -5.865  -7.122
  124    HA   CYS  17           HA       CYS  17  -8.362  -4.987  -4.784
  125   1HB   CYS  17          1HB       CYS  17  -8.561  -4.351  -7.725
  126   2HB   CYS  17          2HB       CYS  17  -9.694  -3.767  -6.545
  127    HA   PRO  18           HA       PRO  18 -11.717  -7.961  -5.628
  128   1HB   PRO  18          1HB       PRO  18 -13.532  -5.683  -6.147
  129   2HB   PRO  18          2HB       PRO  18 -13.656  -6.956  -4.942
  130   1HG   PRO  18          1HG       PRO  18 -12.867  -4.285  -4.466
  131   2HG   PRO  18          2HG       PRO  18 -12.718  -5.622  -3.336
  132   1HD   PRO  18          1HD       PRO  18 -10.592  -4.222  -4.727
  133   2HD   PRO  18          2HD       PRO  18 -10.433  -5.524  -3.541
  134    H    ARG  19           H        ARG  19 -12.611  -8.814  -7.454
  135    HA   ARG  19           HA       ARG  19 -12.816  -9.300  -9.692
  136   1HB   ARG  19          1HB       ARG  19 -14.034  -6.842  -9.307
  137   2HB   ARG  19          2HB       ARG  19 -12.913  -6.413 -10.569
  138   1HG   ARG  19          1HG       ARG  19 -14.905  -8.728 -10.708
  139   2HG   ARG  19          2HG       ARG  19 -15.158  -7.151 -11.422
  140   1HD   ARG  19          1HD       ARG  19 -14.373  -8.598 -13.207
  141   2HD   ARG  19          2HD       ARG  19 -13.039  -7.526 -12.799
  142    HE   ARG  19           HE       ARG  19 -13.088 -10.136 -11.417
  143   1HH1  ARG  19          1HH1      ARG  19 -11.821  -8.212 -14.020
  144   2HH1  ARG  19          2HH1      ARG  19 -10.454  -9.247 -14.252
  145   1HH2  ARG  19          1HH2      ARG  19 -11.368 -11.442 -11.709
  146   2HH2  ARG  19          2HH2      ARG  19 -10.193 -11.095 -12.933
  147    H    SER  20           H        SER  20 -10.386  -9.561  -8.956
  148    HA   SER  20           HA       SER  20  -8.755  -8.767 -11.292
  149   1HB   SER  20          1HB       SER  20  -7.775  -8.355  -8.399
  150   2HB   SER  20          2HB       SER  20  -6.880  -7.975  -9.876
  151    HG   SER  20           HG       SER  20  -9.291  -6.827  -8.958
  152    H    GLU  21           H        GLU  21  -8.958 -10.916 -11.881
  153    HA   GLU  21           HA       GLU  21  -8.430 -13.086 -10.108
  154   1HB   GLU  21          1HB       GLU  21  -9.922 -13.270 -12.097
  155   2HB   GLU  21          2HB       GLU  21  -8.549 -13.024 -13.159
  156   1HG   GLU  21          1HG       GLU  21  -7.487 -15.112 -12.237
  157   2HG   GLU  21          2HG       GLU  21  -8.893 -15.352 -11.214
  158    H    GLU  22           H        GLU  22  -6.464 -12.735  -9.237
  159    HA   GLU  22           HA       GLU  22  -4.172 -12.704  -8.967
  160   1HB   GLU  22          1HB       GLU  22  -4.903 -14.966 -10.473
  161   2HB   GLU  22          2HB       GLU  22  -3.655 -14.287 -11.485
  162   1HG   GLU  22          1HG       GLU  22  -3.405 -15.089  -8.556
  163   2HG   GLU  22          2HG       GLU  22  -2.654 -15.884  -9.925
  164    H    LYS  23           H        LYS  23  -5.161 -10.541 -10.076
  165    HA   LYS  23           HA       LYS  23  -3.129  -9.630 -12.011
  166   1HB   LYS  23          1HB       LYS  23  -6.103  -9.277 -11.912
  167   2HB   LYS  23          2HB       LYS  23  -5.188  -7.882 -12.447
  168   1HG   LYS  23          1HG       LYS  23  -4.058  -9.316 -14.173
  169   2HG   LYS  23          2HG       LYS  23  -5.065 -10.664 -13.682
  170   1HD   LYS  23          1HD       LYS  23  -6.022  -8.023 -14.876
  171   2HD   LYS  23          2HD       LYS  23  -6.033  -9.581 -15.671
  172   1HE   LYS  23          1HE       LYS  23  -7.738  -8.782 -13.266
  173   2HE   LYS  23          2HE       LYS  23  -8.295  -9.099 -14.896
  174   1HZ   LYS  23          1HZ       LYS  23  -7.501 -11.381 -14.674
  175   2HZ   LYS  23          2HZ       LYS  23  -7.067 -11.063 -13.062
  176   3HZ   LYS  23          3HZ       LYS  23  -8.696 -10.987 -13.530
  177    H    LYS  24           H        LYS  24  -2.006  -7.821 -11.418
  178    HA   LYS  24           HA       LYS  24  -3.052  -6.225  -9.116
  179   1HB   LYS  24          1HB       LYS  24  -0.301  -6.121  -8.671
  180   2HB   LYS  24          2HB       LYS  24  -1.381  -7.192  -7.838
  181   1HG   LYS  24          1HG       LYS  24  -0.042  -8.059 -10.398
  182   2HG   LYS  24          2HG       LYS  24   0.802  -8.135  -8.873
  183   1HD   LYS  24          1HD       LYS  24  -1.061  -9.592  -7.966
  184   2HD   LYS  24          2HD       LYS  24  -1.785  -9.619  -9.562
  185   1HE   LYS  24          1HE       LYS  24  -0.384 -11.592  -9.328
  186   2HE   LYS  24          2HE       LYS  24   0.366 -10.523 -10.495
  187   1HZ   LYS  24          1HZ       LYS  24   1.195  -9.979  -7.814
  188   2HZ   LYS  24          2HZ       LYS  24   1.546 -11.570  -8.293
  189   3HZ   LYS  24          3HZ       LYS  24   2.125 -10.260  -9.206
  190    H    ASN  25           H        ASN  25  -3.524  -5.405 -11.470
  191    HA   ASN  25           HA       ASN  25  -3.101  -3.921 -13.211
  192   1HB   ASN  25          1HB       ASN  25  -3.265  -2.774 -10.512
  193   2HB   ASN  25          2HB       ASN  25  -2.492  -1.674 -11.621
  194   1HD2  ASN  25          2HD2      ASN  25  -5.386  -3.759 -11.322
  195   2HD2  ASN  25          1HD2      ASN  25  -6.400  -2.760 -12.247
  196    H    ASP  26           H        ASP  26  -0.727  -5.419 -12.832
  197    HA   ASP  26           HA       ASP  26   1.519  -5.443 -13.407
  198   1HB   ASP  26          1HB       ASP  26   0.143  -3.710 -15.229
  199   2HB   ASP  26          2HB       ASP  26   1.611  -2.842 -14.852
  200    H    ARG  27           H        ARG  27   1.585  -5.019 -11.063
  201    HA   ARG  27           HA       ARG  27   2.384  -4.074  -9.137
  202   1HB   ARG  27          1HB       ARG  27   4.397  -4.853 -10.050
  203   2HB   ARG  27          2HB       ARG  27   4.412  -3.619 -11.280
  204   1HG   ARG  27          1HG       ARG  27   4.979  -1.905  -9.507
  205   2HG   ARG  27          2HG       ARG  27   4.776  -3.125  -8.264
  206   1HD   ARG  27          1HD       ARG  27   6.704  -4.410  -9.353
  207   2HD   ARG  27          2HD       ARG  27   6.917  -3.035 -10.429
  208    HE   ARG  27           HE       ARG  27   7.850  -1.815  -8.655
  209   1HH1  ARG  27          1HH1      ARG  27   6.215  -4.642  -7.481
  210   2HH1  ARG  27          2HH1      ARG  27   6.821  -4.455  -5.872
  211   1HH2  ARG  27          1HH2      ARG  27   8.611  -1.563  -6.602
  212   2HH2  ARG  27          2HH2      ARG  27   8.180  -2.695  -5.364
  213    H    ILE  28           H        ILE  28   1.187  -2.486  -8.323
  214    HA   ILE  28           HA       ILE  28   0.826   0.080  -9.488
  215    HB   ILE  28           HB       ILE  28   0.351   0.048  -6.576
  216   1HG1  ILE  28          1HG1      ILE  28   0.011  -2.312  -6.789
  217   2HG1  ILE  28          2HG1      ILE  28  -1.519  -1.547  -6.517
  218   1HG2  ILE  28          1HG2      ILE  28  -1.487   0.391  -8.957
  219   2HG2  ILE  28          2HG2      ILE  28  -1.911   0.731  -7.286
  220   3HG2  ILE  28          3HG2      ILE  28  -0.661   1.670  -8.082
  221   1HD1  ILE  28          1HD1      ILE  28  -0.521  -2.627  -9.172
  222   2HD1  ILE  28          2HD1      ILE  28  -1.725  -3.337  -8.127
  223   3HD1  ILE  28          3HD1      ILE  28  -2.056  -1.805  -8.922
  224    H    CYS  29           H        CYS  29   1.218   2.041  -8.320
  225    HA   CYS  29           HA       CYS  29   3.773   2.236  -6.817
  226   1HB   CYS  29          1HB       CYS  29   4.121   2.796  -9.206
  227   2HB   CYS  29          2HB       CYS  29   2.791   3.913  -9.162
  228    H    THR  30           H        THR  30   2.167   2.188  -5.127
  229    HA   THR  30           HA       THR  30   0.901   4.855  -4.697
  230    HB   THR  30           HB       THR  30  -0.835   3.125  -5.509
  231    HG1  THR  30           HG1      THR  30  -0.997   4.868  -3.679
  232   1HG2  THR  30          1HG2      THR  30  -0.253   1.852  -2.784
  233   2HG2  THR  30          2HG2      THR  30  -1.502   1.395  -3.925
  234   3HG2  THR  30          3HG2      THR  30   0.187   1.120  -4.321
  235    H    ASN  31           H        ASN  31   0.048   4.996  -2.485
  236    HA   ASN  31           HA       ASN  31   1.806   3.874  -0.368
  237   1HB   ASN  31          1HB       ASN  31   1.729   6.284   0.634
  238   2HB   ASN  31          2HB       ASN  31   2.748   6.134  -0.774
  239   1HD2  ASN  31          2HD2      ASN  31   0.669   8.221   0.497
  240   2HD2  ASN  31          1HD2      ASN  31   0.077   8.890  -0.947
  241    H    CYS  32           H        CYS  32   0.734   3.644   1.619
  242    HA   CYS  32           HA       CYS  32  -1.890   2.826   1.695
  243   1HB   CYS  32          1HB       CYS  32  -0.177   2.654   3.550
  244   2HB   CYS  32          2HB       CYS  32  -0.559   4.295   3.994
  245    H    CYS  33           H        CYS  33  -0.768   6.098   2.274
  246    HA   CYS  33           HA       CYS  33  -3.245   7.287   3.022
  247   1HB   CYS  33          1HB       CYS  33  -1.032   8.341   3.299
  248   2HB   CYS  33          2HB       CYS  33  -0.869   8.487   1.576
  249    H    ALA  34           H        ALA  34  -1.648   7.142  -0.171
  250    HA   ALA  34           HA       ALA  34  -3.794   8.390  -1.613
  251   1HB   ALA  34          1HB       ALA  34  -1.663   6.426  -2.587
  252   2HB   ALA  34          2HB       ALA  34  -2.649   7.445  -3.624
  253   3HB   ALA  34          3HB       ALA  34  -1.496   8.173  -2.516
  254    H    GLY  35           H        GLY  35  -2.773   5.043  -1.728
  255   1HA   GLY  35          1HA       GLY  35  -3.928   3.143  -2.478
  256   2HA   GLY  35          2HA       GLY  35  -4.584   3.399  -0.891
  257    H    THR  36           H        THR  36  -6.324   2.206  -1.431
  258    HA   THR  36           HA       THR  36  -8.596   3.611  -2.616
  259    HB   THR  36           HB       THR  36  -8.084   0.849  -3.453
  260    HG1  THR  36           HG1      THR  36  -7.109   3.221  -4.714
  261   1HG2  THR  36          1HG2      THR  36  -9.389   3.216  -4.965
  262   2HG2  THR  36          2HG2      THR  36  -9.292   1.588  -5.608
  263   3HG2  THR  36          3HG2      THR  36 -10.309   1.916  -4.232
  264    H    LYS  37           H        LYS  37 -10.496   2.031  -2.567
  265    HA   LYS  37           HA       LYS  37 -10.727   0.836   0.129
  266   1HB   LYS  37          1HB       LYS  37 -13.138   0.921  -1.665
  267   2HB   LYS  37          2HB       LYS  37 -12.995   1.304   0.034
  268   1HG   LYS  37          1HG       LYS  37 -12.038   3.539  -0.552
  269   2HG   LYS  37          2HG       LYS  37 -12.096   3.126  -2.248
  270   1HD   LYS  37          1HD       LYS  37 -14.010   4.516  -1.708
  271   2HD   LYS  37          2HD       LYS  37 -14.586   2.904  -2.075
  272   1HE   LYS  37          1HE       LYS  37 -14.789   2.408   0.359
  273   2HE   LYS  37          2HE       LYS  37 -14.157   4.002   0.742
  274   1HZ   LYS  37          1HZ       LYS  37 -16.631   3.446  -0.782
  275   2HZ   LYS  37          2HZ       LYS  37 -16.551   3.934   0.843
  276   3HZ   LYS  37          3HZ       LYS  37 -16.030   4.985  -0.386
  277    H    GLY  38           H        GLY  38 -11.032  -1.197   0.527
  278   1HA   GLY  38          1HA       GLY  38 -11.446  -3.470   0.236
  279   2HA   GLY  38          2HA       GLY  38 -12.012  -3.135  -1.387
  280    H    CYS  39           H        CYS  39  -9.247  -1.814  -1.905
  281    HA   CYS  39           HA       CYS  39  -8.010  -4.276  -2.871
  282   1HB   CYS  39          1HB       CYS  39  -6.910  -1.502  -2.903
  283   2HB   CYS  39          2HB       CYS  39  -6.444  -2.814  -3.920
  284    H    LYS  40           H        LYS  40  -6.134  -5.087  -2.247
  285    HA   LYS  40           HA       LYS  40  -4.996  -4.291   0.403
  286   1HB   LYS  40          1HB       LYS  40  -5.087  -6.993  -0.986
  287   2HB   LYS  40          2HB       LYS  40  -4.103  -6.681   0.417
  288   1HG   LYS  40          1HG       LYS  40  -6.149  -7.733   1.164
  289   2HG   LYS  40          2HG       LYS  40  -6.115  -6.087   1.741
  290   1HD   LYS  40          1HD       LYS  40  -8.354  -6.765   0.918
  291   2HD   LYS  40          2HD       LYS  40  -7.734  -5.383   0.061
  292   1HE   LYS  40          1HE       LYS  40  -8.779  -7.075  -1.478
  293   2HE   LYS  40          2HE       LYS  40  -7.075  -6.896  -1.847
  294   1HZ   LYS  40          1HZ       LYS  40  -8.161  -8.982  -0.051
  295   2HZ   LYS  40          2HZ       LYS  40  -7.876  -9.211  -1.711
  296   3HZ   LYS  40          3HZ       LYS  40  -6.581  -8.868  -0.666
  297    H    TYR  41           H        TYR  41  -3.130  -3.227   0.249
  298    HA   TYR  41           HA       TYR  41  -1.328  -3.757  -2.004
  299   1HB   TYR  41          1HB       TYR  41  -1.561  -1.433  -0.055
  300   2HB   TYR  41          2HB       TYR  41  -0.387  -1.557  -1.340
  301    HD1  TYR  41           HD1      TYR  41  -1.123  -1.376  -3.737
  302    HD2  TYR  41           HD2      TYR  41  -3.897  -1.090  -0.536
  303    HE1  TYR  41           HE1      TYR  41  -2.818  -0.482  -5.273
  304    HE2  TYR  41           HE2      TYR  41  -5.582  -0.188  -2.063
  305    HH   TYR  41           HH       TYR  41  -6.123   0.126  -4.228
  306    H    PHE  42           H        PHE  42   0.359  -4.913  -1.633
  307    HA   PHE  42           HA       PHE  42   1.497  -5.198   1.082
  308   1HB   PHE  42          1HB       PHE  42   2.279  -7.420  -0.543
  309   2HB   PHE  42          2HB       PHE  42   1.198  -7.397   0.822
  310    HD1  PHE  42           HD1      PHE  42   1.237  -6.904  -2.882
  311    HD2  PHE  42           HD2      PHE  42  -1.072  -7.795   0.586
  312    HE1  PHE  42           HE1      PHE  42  -0.694  -7.493  -4.294
  313    HE2  PHE  42           HE2      PHE  42  -2.989  -8.382  -0.833
  314    HZ   PHE  42           HZ       PHE  42  -2.792  -8.228  -3.275
  315    H    SER  43           H        SER  43   3.616  -5.832   1.210
  316    HA   SER  43           HA       SER  43   5.465  -4.138  -0.113
  317   1HB   SER  43          1HB       SER  43   5.928  -6.581   1.663
  318   2HB   SER  43          2HB       SER  43   7.055  -5.286   1.331
  319    HG   SER  43           HG       SER  43   5.742  -3.834   2.324
  320    H    ASP  44           H        ASP  44   7.584  -5.235  -0.694
  321    HA   ASP  44           HA       ASP  44   7.113  -6.749  -3.158
  322   1HB   ASP  44          1HB       ASP  44   9.046  -4.897  -2.326
  323   2HB   ASP  44          2HB       ASP  44   9.943  -6.403  -2.279
  324    H    ASP  45           H        ASP  45   8.131  -7.299   0.050
  325    HA   ASP  45           HA       ASP  45   9.319  -9.916  -0.290
  326   1HB   ASP  45          1HB       ASP  45   9.890  -8.496   1.640
  327   2HB   ASP  45          2HB       ASP  45   8.212  -8.433   2.141
  328    H    GLY  46           H        GLY  46   6.139  -8.760  -0.401
  329   1HA   GLY  46          1HA       GLY  46   4.188  -9.861  -0.796
  330   2HA   GLY  46          2HA       GLY  46   5.025 -11.416  -0.558
  331    H    THR  47           H        THR  47   4.066  -8.494   1.166
  332    HA   THR  47           HA       THR  47   2.899  -9.955   3.322
  333    HB   THR  47           HB       THR  47   5.292  -8.077   3.685
  334    HG1  THR  47           HG1      THR  47   5.932 -10.108   3.184
  335   1HG2  THR  47          1HG2      THR  47   3.703  -9.641   5.821
  336   2HG2  THR  47          2HG2      THR  47   5.098  -8.620   6.136
  337   3HG2  THR  47          3HG2      THR  47   3.584  -7.900   5.622
  338    H    PHE  48           H        PHE  48   1.034  -9.037   3.468
  339    HA   PHE  48           HA       PHE  48   0.106  -6.670   2.360
  340   1HB   PHE  48          1HB       PHE  48  -1.420  -8.367   3.132
  341   2HB   PHE  48          2HB       PHE  48  -0.875  -8.195   4.792
  342    HD1  PHE  48           HD1      PHE  48  -2.627  -6.387   2.028
  343    HD2  PHE  48           HD2      PHE  48  -1.805  -6.525   6.208
  344    HE1  PHE  48           HE1      PHE  48  -4.305  -4.641   2.426
  345    HE2  PHE  48           HE2      PHE  48  -3.479  -4.779   6.596
  346    HZ   PHE  48           HZ       PHE  48  -4.728  -3.833   4.714
  347    H    VAL  49           H        VAL  49   0.492  -4.650   2.675
  348    HA   VAL  49           HA       VAL  49   1.521  -3.694   5.311
  349    HB   VAL  49           HB       VAL  49   1.502  -2.277   2.634
  350   1HG1  VAL  49          1HG1      VAL  49   2.956  -1.621   5.244
  351   2HG1  VAL  49          2HG1      VAL  49   3.153  -0.753   3.734
  352   3HG1  VAL  49          3HG1      VAL  49   1.618  -0.704   4.571
  353   1HG2  VAL  49          1HG2      VAL  49   3.746  -3.739   4.048
  354   2HG2  VAL  49          2HG2      VAL  49   2.941  -4.256   2.573
  355   3HG2  VAL  49          3HG2      VAL  49   3.904  -2.791   2.575
  356    H    CYS  50           H        CYS  50  -0.942  -2.791   2.845
  357    HA   CYS  50           HA       CYS  50  -2.636  -1.695   4.985
  358   1HB   CYS  50          1HB       CYS  50  -0.991  -0.103   3.258
  359   2HB   CYS  50          2HB       CYS  50  -2.652   0.402   3.211
  360    H    GLU  51           H        GLU  51  -4.798  -1.341   4.221
  361    HA   GLU  51           HA       GLU  51  -5.335  -2.714   1.621
  362   1HB   GLU  51          1HB       GLU  51  -6.637  -3.753   3.342
  363   2HB   GLU  51          2HB       GLU  51  -6.939  -2.243   4.174
  364   1HG   GLU  51          1HG       GLU  51  -8.710  -1.640   2.706
  365   2HG   GLU  51          2HG       GLU  51  -8.167  -2.712   1.429
  366    H    GLY  52           H        GLY  52  -4.160  -0.540   1.251
  367   1HA   GLY  52          1HA       GLY  52  -4.170   1.499   0.143
  368   2HA   GLY  52          2HA       GLY  52  -5.820   1.087  -0.319
  369    H    GLU  53           H        GLU  53  -6.450   3.293  -0.095
  370    HA   GLU  53           HA       GLU  53  -6.248   4.525   2.576
  371   1HB   GLU  53          1HB       GLU  53  -7.136   6.524   1.532
  372   2HB   GLU  53          2HB       GLU  53  -5.902   5.842   0.513
  373   1HG   GLU  53          1HG       GLU  53  -7.664   6.563  -0.958
  374   2HG   GLU  53          2HG       GLU  53  -7.692   4.815  -0.930
  375    H    SER  54           H        SER  54  -8.693   3.055   0.430
  376    HA   SER  54           HA       SER  54 -10.928   2.629   0.821
  377   1HB   SER  54          1HB       SER  54  -9.717   0.836   2.104
  378   2HB   SER  54          2HB       SER  54  -9.793   1.838   3.558
  379    HG   SER  54           HG       SER  54 -12.019   1.061   1.983
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  -4.705   9.601   5.024
    2   2H    MET   1          2H        MET   1  -4.386   9.247   6.655
    3   3H    MET   1          3H        MET   1  -5.986   9.252   6.083
    4    HA   MET   1           HA       MET   1  -5.804  11.250   7.200
    5   1HB   MET   1          1HB       MET   1  -3.853  12.801   6.838
    6   2HB   MET   1          2HB       MET   1  -3.365  11.264   7.520
    7   1HG   MET   1          1HG       MET   1  -2.670  10.456   5.324
    8   2HG   MET   1          2HG       MET   1  -3.240  11.909   4.552
    9   1HE   MET   1          1HE       MET   1  -2.398  14.210   5.111
   10   2HE   MET   1          2HE       MET   1  -0.677  14.509   5.070
   11   3HE   MET   1          3HE       MET   1  -1.439  13.678   3.712
   12    H    LYS   2           H        LYS   2  -6.225  13.413   6.416
   13    HA   LYS   2           HA       LYS   2  -7.672  13.409   3.913
   14   1HB   LYS   2          1HB       LYS   2  -6.806  15.813   5.577
   15   2HB   LYS   2          2HB       LYS   2  -8.110  15.777   4.414
   16   1HG   LYS   2          1HG       LYS   2  -8.042  14.254   7.057
   17   2HG   LYS   2          2HG       LYS   2  -8.953  15.706   6.738
   18   1HD   LYS   2          1HD       LYS   2 -10.636  14.155   6.426
   19   2HD   LYS   2          2HD       LYS   2 -10.041  14.249   4.783
   20   1HE   LYS   2          1HE       LYS   2  -8.666  12.174   5.169
   21   2HE   LYS   2          2HE       LYS   2  -9.235  12.132   6.827
   22   1HZ   LYS   2          1HZ       LYS   2 -11.480  11.900   6.017
   23   2HZ   LYS   2          2HZ       LYS   2 -10.932  11.964   4.411
   24   3HZ   LYS   2          3HZ       LYS   2 -10.485  10.665   5.409
   25    H    ALA   3           H        ALA   3  -7.005  13.910   1.961
   26    HA   ALA   3           HA       ALA   3  -5.593  14.379   0.174
   27   1HB   ALA   3          1HB       ALA   3  -6.052  16.699   0.941
   28   2HB   ALA   3          2HB       ALA   3  -4.706  16.623   2.065
   29   3HB   ALA   3          3HB       ALA   3  -4.410  16.581   0.335
   30    H    CYS   4           H        CYS   4  -4.501  12.387   0.527
   31    HA   CYS   4           HA       CYS   4  -2.225  11.968   2.118
   32   1HB   CYS   4          1HB       CYS   4  -2.976  10.712  -0.530
   33   2HB   CYS   4          2HB       CYS   4  -1.810  10.074   0.585
   34    H    THR   5           H        THR   5  -0.061  11.412   1.300
   35    HA   THR   5           HA       THR   5   1.225  13.686   0.181
   36    HB   THR   5           HB       THR   5   2.263  10.824   0.682
   37    HG1  THR   5           HG1      THR   5   1.937  13.177   2.236
   38   1HG2  THR   5          1HG2      THR   5   3.653  13.541   0.760
   39   2HG2  THR   5          2HG2      THR   5   4.401  11.970   1.049
   40   3HG2  THR   5          3HG2      THR   5   3.841  12.393  -0.564
   41    H    LEU   6           H        LEU   6  -0.103  10.844  -1.115
   42    HA   LEU   6           HA       LEU   6  -0.616  10.172  -3.248
   43   1HB   LEU   6          1HB       LEU   6   1.034  12.503  -4.323
   44   2HB   LEU   6          2HB       LEU   6  -0.205  11.590  -5.152
   45    HG   LEU   6           HG       LEU   6  -0.699  13.429  -2.766
   46   1HD1  LEU   6          1HD1      LEU   6  -1.415  13.739  -5.706
   47   2HD1  LEU   6          2HD1      LEU   6  -1.879  14.843  -4.420
   48   3HD1  LEU   6          3HD1      LEU   6  -0.187  14.651  -4.843
   49   1HD2  LEU   6          1HD2      LEU   6  -2.693  11.872  -4.482
   50   2HD2  LEU   6          2HD2      LEU   6  -2.311  11.513  -2.806
   51   3HD2  LEU   6          3HD2      LEU   6  -3.110  13.016  -3.217
   52    H    ASN   7           H        ASN   7   2.758  11.241  -2.841
   53    HA   ASN   7           HA       ASN   7   3.941   9.702  -4.775
   54   1HB   ASN   7          1HB       ASN   7   5.032  10.469  -2.049
   55   2HB   ASN   7          2HB       ASN   7   6.019   9.879  -3.373
   56   1HD2  ASN   7          2HD2      ASN   7   3.928  12.586  -2.392
   57   2HD2  ASN   7          1HD2      ASN   7   4.546  13.693  -3.521
   58    H    CYS   8           H        CYS   8   5.153   7.856  -4.634
   59    HA   CYS   8           HA       CYS   8   3.817   5.562  -3.559
   60   1HB   CYS   8          1HB       CYS   8   6.610   5.167  -4.354
   61   2HB   CYS   8          2HB       CYS   8   5.171   4.379  -4.906
   62    H    ASP   9           H        ASP   9   4.167   4.288  -1.888
   63    HA   ASP   9           HA       ASP   9   5.966   5.211   0.253
   64   1HB   ASP   9          1HB       ASP   9   3.682   4.666   0.890
   65   2HB   ASP   9          2HB       ASP   9   3.821   3.080   0.147
   66    HA   PRO  10           HA       PRO  10   8.909   2.476  -1.633
   67   1HB   PRO  10          1HB       PRO  10  10.779   2.489   0.520
   68   2HB   PRO  10          2HB       PRO  10  10.773   3.539  -0.889
   69   1HG   PRO  10          1HG       PRO  10   9.973   4.152   1.871
   70   2HG   PRO  10          2HG       PRO  10  10.348   5.257   0.557
   71   1HD   PRO  10          1HD       PRO  10   7.758   4.693   1.565
   72   2HD   PRO  10          2HD       PRO  10   8.121   5.541   0.050
   73    H    ARG  11           H        ARG  11   7.545   1.869   1.440
   74    HA   ARG  11           HA       ARG  11   8.595  -0.831   1.794
   75   1HB   ARG  11          1HB       ARG  11   5.997   0.159   3.040
   76   2HB   ARG  11          2HB       ARG  11   7.109  -1.033   3.641
   77   1HG   ARG  11          1HG       ARG  11   8.795   0.598   4.190
   78   2HG   ARG  11          2HG       ARG  11   7.911   1.888   3.395
   79   1HD   ARG  11          1HD       ARG  11   6.881   0.344   5.818
   80   2HD   ARG  11          2HD       ARG  11   7.591   1.956   5.859
   81    HE   ARG  11           HE       ARG  11   5.313   1.625   4.026
   82   1HH1  ARG  11          1HH1      ARG  11   6.408   2.589   7.174
   83   2HH1  ARG  11          2HH1      ARG  11   5.006   3.559   7.474
   84   1HH2  ARG  11          1HH2      ARG  11   3.554   2.835   4.384
   85   2HH2  ARG  11          2HH2      ARG  11   3.361   3.699   5.874
   86    H    ILE  12           H        ILE  12   5.717   0.659   0.436
   87    HA   ILE  12           HA       ILE  12   4.336  -1.832  -0.101
   88    HB   ILE  12           HB       ILE  12   3.854   1.045  -0.880
   89   1HG1  ILE  12          1HG1      ILE  12   2.368  -1.009   0.823
   90   2HG1  ILE  12          2HG1      ILE  12   3.512   0.135   1.491
   91   1HG2  ILE  12          1HG2      ILE  12   2.121  -1.386  -1.598
   92   2HG2  ILE  12          2HG2      ILE  12   1.677   0.293  -1.859
   93   3HG2  ILE  12          3HG2      ILE  12   2.994  -0.407  -2.765
   94   1HD1  ILE  12          1HD1      ILE  12   0.935   0.821   0.057
   95   2HD1  ILE  12          2HD1      ILE  12   1.241   0.905   1.784
   96   3HD1  ILE  12          3HD1      ILE  12   2.097   1.982   0.696
   97    H    ALA  13           H        ALA  13   4.146  -2.918  -1.867
   98    HA   ALA  13           HA       ALA  13   6.018  -2.451  -4.128
   99   1HB   ALA  13          1HB       ALA  13   4.647  -5.005  -3.195
  100   2HB   ALA  13          2HB       ALA  13   5.768  -4.904  -4.536
  101   3HB   ALA  13          3HB       ALA  13   6.320  -4.553  -2.914
  102    H    TYR  14           H        TYR  14   2.885  -3.969  -3.552
  103    HA   TYR  14           HA       TYR  14   1.638  -2.419  -5.721
  104   1HB   TYR  14          1HB       TYR  14   0.953  -4.518  -7.001
  105   2HB   TYR  14          2HB       TYR  14   2.670  -4.201  -7.057
  106    HD1  TYR  14           HD1      TYR  14   4.249  -5.613  -5.821
  107    HD2  TYR  14           HD2      TYR  14   0.077  -6.442  -5.739
  108    HE1  TYR  14           HE1      TYR  14   4.713  -7.838  -4.912
  109    HE2  TYR  14           HE2      TYR  14   0.544  -8.671  -4.833
  110    HH   TYR  14           HH       TYR  14   2.790  -9.618  -3.350
  111    H    GLY  15           H        GLY  15  -0.640  -3.471  -6.129
  112   1HA   GLY  15          1HA       GLY  15  -1.802  -4.462  -3.607
  113   2HA   GLY  15          2HA       GLY  15  -2.447  -2.949  -4.231
  114    H    VAL  16           H        VAL  16  -3.866  -5.319  -3.774
  115    HA   VAL  16           HA       VAL  16  -4.921  -5.791  -6.528
  116    HB   VAL  16           HB       VAL  16  -3.983  -7.959  -4.620
  117   1HG1  VAL  16          1HG1      VAL  16  -5.789  -8.344  -7.030
  118   2HG1  VAL  16          2HG1      VAL  16  -5.020  -9.643  -6.131
  119   3HG1  VAL  16          3HG1      VAL  16  -6.246  -8.654  -5.366
  120   1HG2  VAL  16          1HG2      VAL  16  -3.449  -7.426  -7.566
  121   2HG2  VAL  16          2HG2      VAL  16  -2.318  -7.125  -6.255
  122   3HG2  VAL  16          3HG2      VAL  16  -2.792  -8.765  -6.641
  123    H    CYS  17           H        CYS  17  -6.964  -5.644  -6.671
  124    HA   CYS  17           HA       CYS  17  -8.710  -5.876  -4.269
  125   1HB   CYS  17          1HB       CYS  17  -9.958  -4.477  -6.482
  126   2HB   CYS  17          2HB       CYS  17  -9.647  -3.924  -4.869
  127    HA   PRO  18           HA       PRO  18 -10.509  -9.382  -6.235
  128   1HB   PRO  18          1HB       PRO  18 -13.022  -9.332  -4.971
  129   2HB   PRO  18          2HB       PRO  18 -11.562 -10.088  -4.350
  130   1HG   PRO  18          1HG       PRO  18 -12.846  -7.563  -3.515
  131   2HG   PRO  18          2HG       PRO  18 -11.712  -8.575  -2.632
  132   1HD   PRO  18          1HD       PRO  18 -11.106  -6.102  -3.899
  133   2HD   PRO  18          2HD       PRO  18  -9.932  -7.276  -3.276
  134    H    ARG  19           H        ARG  19 -11.749  -9.898  -7.927
  135    HA   ARG  19           HA       ARG  19 -12.812  -9.545  -9.954
  136   1HB   ARG  19          1HB       ARG  19 -14.863  -8.043  -8.260
  137   2HB   ARG  19          2HB       ARG  19 -15.172  -8.966  -9.715
  138   1HG   ARG  19          1HG       ARG  19 -14.268 -10.120  -7.034
  139   2HG   ARG  19          2HG       ARG  19 -15.877 -10.222  -7.710
  140   1HD   ARG  19          1HD       ARG  19 -14.965 -11.539  -9.659
  141   2HD   ARG  19          2HD       ARG  19 -13.367 -11.465  -8.928
  142    HE   ARG  19           HE       ARG  19 -14.017 -13.072  -7.360
  143   1HH1  ARG  19          1HH1      ARG  19 -16.787 -11.804  -9.020
  144   2HH1  ARG  19          2HH1      ARG  19 -17.862 -12.986  -8.355
  145   1HH2  ARG  19          1HH2      ARG  19 -15.364 -14.572  -6.509
  146   2HH2  ARG  19          2HH2      ARG  19 -17.048 -14.573  -6.914
  147    H    SER  20           H        SER  20 -10.926  -7.571  -9.238
  148    HA   SER  20           HA       SER  20 -11.606  -5.482 -11.195
  149   1HB   SER  20          1HB       SER  20 -10.877  -4.816  -8.284
  150   2HB   SER  20          2HB       SER  20 -11.020  -3.618  -9.581
  151    HG   SER  20           HG       SER  20 -13.174  -4.617  -9.905
  152    H    GLU  21           H        GLU  21 -10.051  -6.266 -12.401
  153    HA   GLU  21           HA       GLU  21  -7.944  -6.397 -13.366
  154   1HB   GLU  21          1HB       GLU  21  -6.752  -5.358 -10.717
  155   2HB   GLU  21          2HB       GLU  21  -5.985  -5.388 -12.281
  156   1HG   GLU  21          1HG       GLU  21  -8.406  -3.680 -11.548
  157   2HG   GLU  21          2HG       GLU  21  -6.768  -3.113 -11.791
  158    H    GLU  22           H        GLU  22  -7.402  -7.107  -9.931
  159    HA   GLU  22           HA       GLU  22  -6.484  -8.926  -8.859
  160   1HB   GLU  22          1HB       GLU  22  -8.867  -9.619 -10.085
  161   2HB   GLU  22          2HB       GLU  22  -7.830 -10.880 -10.705
  162   1HG   GLU  22          1HG       GLU  22  -7.141 -11.440  -8.363
  163   2HG   GLU  22          2HG       GLU  22  -8.181 -10.159  -7.757
  164    H    LYS  23           H        LYS  23  -4.467  -8.173  -9.869
  165    HA   LYS  23           HA       LYS  23  -3.034 -10.411 -11.024
  166   1HB   LYS  23          1HB       LYS  23  -3.803  -9.315 -13.066
  167   2HB   LYS  23          2HB       LYS  23  -3.433  -7.729 -12.438
  168   1HG   LYS  23          1HG       LYS  23  -1.177  -9.716 -12.784
  169   2HG   LYS  23          2HG       LYS  23  -1.830  -8.923 -14.202
  170   1HD   LYS  23          1HD       LYS  23  -1.378  -6.699 -13.220
  171   2HD   LYS  23          2HD       LYS  23  -0.773  -7.417 -11.745
  172   1HE   LYS  23          1HE       LYS  23   1.087  -6.793 -13.159
  173   2HE   LYS  23          2HE       LYS  23   1.018  -8.541 -13.025
  174   1HZ   LYS  23          1HZ       LYS  23  -0.322  -7.174 -15.254
  175   2HZ   LYS  23          2HZ       LYS  23   1.350  -7.471 -15.311
  176   3HZ   LYS  23          3HZ       LYS  23   0.262  -8.767 -15.165
  177    H    LYS  24           H        LYS  24  -0.958 -10.434 -10.338
  178    HA   LYS  24           HA       LYS  24   0.229  -8.011  -9.107
  179   1HB   LYS  24          1HB       LYS  24   0.926  -9.897  -7.190
  180   2HB   LYS  24          2HB       LYS  24  -0.363  -8.731  -7.029
  181   1HG   LYS  24          1HG       LYS  24  -2.019 -10.395  -7.844
  182   2HG   LYS  24          2HG       LYS  24  -0.732 -11.572  -8.035
  183   1HD   LYS  24          1HD       LYS  24  -0.232 -11.451  -5.611
  184   2HD   LYS  24          2HD       LYS  24  -1.460 -10.217  -5.397
  185   1HE   LYS  24          1HE       LYS  24  -3.206 -11.827  -6.162
  186   2HE   LYS  24          2HE       LYS  24  -1.970 -13.067  -6.349
  187   1HZ   LYS  24          1HZ       LYS  24  -2.626 -11.671  -3.821
  188   2HZ   LYS  24          2HZ       LYS  24  -3.129 -13.238  -4.244
  189   3HZ   LYS  24          3HZ       LYS  24  -1.477 -12.908  -4.014
  190    H    ASN  25           H        ASN  25   1.668  -8.006 -10.719
  191    HA   ASN  25           HA       ASN  25   4.022  -9.657 -10.421
  192   1HB   ASN  25          1HB       ASN  25   2.012 -10.259 -12.551
  193   2HB   ASN  25          2HB       ASN  25   3.616 -10.007 -13.214
  194   1HD2  ASN  25          2HD2      ASN  25   5.408 -11.295 -12.053
  195   2HD2  ASN  25          1HD2      ASN  25   5.008 -12.855 -11.517
  196    H    ASP  26           H        ASP  26   3.094  -6.955 -10.248
  197    HA   ASP  26           HA       ASP  26   5.231  -5.602 -11.737
  198   1HB   ASP  26          1HB       ASP  26   2.311  -5.339 -12.400
  199   2HB   ASP  26          2HB       ASP  26   3.127  -3.811 -12.163
  200    H    ARG  27           H        ARG  27   6.201  -4.728 -10.020
  201    HA   ARG  27           HA       ARG  27   4.689  -3.968  -7.613
  202   1HB   ARG  27          1HB       ARG  27   6.819  -5.063  -7.273
  203   2HB   ARG  27          2HB       ARG  27   7.634  -4.002  -8.395
  204   1HG   ARG  27          1HG       ARG  27   6.423  -2.447  -6.246
  205   2HG   ARG  27          2HG       ARG  27   7.404  -3.718  -5.575
  206   1HD   ARG  27          1HD       ARG  27   9.319  -2.899  -7.036
  207   2HD   ARG  27          2HD       ARG  27   8.327  -1.519  -7.488
  208    HE   ARG  27           HE       ARG  27   9.672  -1.897  -4.962
  209   1HH1  ARG  27          1HH1      ARG  27   6.835  -0.542  -6.428
  210   2HH1  ARG  27          2HH1      ARG  27   6.616   0.631  -5.173
  211   1HH2  ARG  27          1HH2      ARG  27   9.412  -0.420  -3.372
  212   2HH2  ARG  27          2HH2      ARG  27   8.093   0.703  -3.421
  213    H    ILE  28           H        ILE  28   3.380  -2.376  -8.637
  214    HA   ILE  28           HA       ILE  28   4.314  -0.113 -10.027
  215    HB   ILE  28           HB       ILE  28   1.902   0.278  -8.330
  216   1HG1  ILE  28          1HG1      ILE  28   0.638  -1.146 -10.301
  217   2HG1  ILE  28          2HG1      ILE  28   2.139  -2.045 -10.292
  218   1HG2  ILE  28          1HG2      ILE  28   2.435   0.585 -11.270
  219   2HG2  ILE  28          2HG2      ILE  28   0.951   1.057 -10.446
  220   3HG2  ILE  28          3HG2      ILE  28   2.455   1.867 -10.063
  221   1HD1  ILE  28          1HD1      ILE  28   1.846  -2.415  -7.840
  222   2HD1  ILE  28          2HD1      ILE  28   0.331  -1.542  -7.897
  223   3HD1  ILE  28          3HD1      ILE  28   0.498  -3.062  -8.763
  224    H    CYS  29           H        CYS  29   3.896   2.112  -9.176
  225    HA   CYS  29           HA       CYS  29   5.354   2.514  -6.600
  226   1HB   CYS  29          1HB       CYS  29   6.042   3.399  -9.009
  227   2HB   CYS  29          2HB       CYS  29   4.849   4.624  -8.715
  228    H    THR  30           H        THR  30   3.787   2.561  -5.059
  229    HA   THR  30           HA       THR  30   1.854   4.750  -5.048
  230    HB   THR  30           HB       THR  30   0.583   3.011  -6.369
  231    HG1  THR  30           HG1      THR  30  -1.149   2.903  -4.843
  232   1HG2  THR  30          1HG2      THR  30   1.696   0.945  -5.301
  233   2HG2  THR  30          2HG2      THR  30   0.828   1.309  -3.817
  234   3HG2  THR  30          3HG2      THR  30  -0.057   0.883  -5.270
  235    H    ASN  31           H        ASN  31   0.581   4.785  -3.038
  236    HA   ASN  31           HA       ASN  31   2.002   3.531  -0.736
  237   1HB   ASN  31          1HB       ASN  31   1.579   5.677   0.525
  238   2HB   ASN  31          2HB       ASN  31   2.661   5.917  -0.822
  239   1HD2  ASN  31          2HD2      ASN  31   0.246   7.420   0.665
  240   2HD2  ASN  31          1HD2      ASN  31  -0.397   8.249  -0.668
  241    H    CYS  32           H        CYS  32   0.791   3.435   1.223
  242    HA   CYS  32           HA       CYS  32  -1.734   2.187   0.923
  243   1HB   CYS  32          1HB       CYS  32  -0.467   1.560   2.810
  244   2HB   CYS  32          2HB       CYS  32  -0.206   3.212   3.310
  245    H    CYS  33           H        CYS  33  -1.007   5.422   2.211
  246    HA   CYS  33           HA       CYS  33  -3.653   6.144   2.908
  247   1HB   CYS  33          1HB       CYS  33  -1.560   7.393   3.470
  248   2HB   CYS  33          2HB       CYS  33  -1.475   7.954   1.824
  249    H    ALA  34           H        ALA  34  -1.891   6.777  -0.099
  250    HA   ALA  34           HA       ALA  34  -4.168   7.916  -1.485
  251   1HB   ALA  34          1HB       ALA  34  -1.805   8.360  -2.177
  252   2HB   ALA  34          2HB       ALA  34  -1.652   6.665  -2.637
  253   3HB   ALA  34          3HB       ALA  34  -2.754   7.716  -3.509
  254    H    GLY  35           H        GLY  35  -3.093   4.772  -0.802
  255   1HA   GLY  35          1HA       GLY  35  -3.957   3.122  -2.802
  256   2HA   GLY  35          2HA       GLY  35  -4.038   2.679  -1.107
  257    H    THR  36           H        THR  36  -5.907   1.873  -3.134
  258    HA   THR  36           HA       THR  36  -8.338   3.438  -2.615
  259    HB   THR  36           HB       THR  36  -8.440   0.874  -4.169
  260    HG1  THR  36           HG1      THR  36  -6.512   2.009  -4.816
  261   1HG2  THR  36          1HG2      THR  36 -10.475   2.420  -4.088
  262   2HG2  THR  36          2HG2      THR  36  -9.494   3.662  -4.849
  263   3HG2  THR  36          3HG2      THR  36  -9.850   2.179  -5.702
  264    H    LYS  37           H        LYS  37 -10.304   2.115  -2.364
  265    HA   LYS  37           HA       LYS  37 -10.084   0.475   0.097
  266   1HB   LYS  37          1HB       LYS  37 -11.809   2.030   0.428
  267   2HB   LYS  37          2HB       LYS  37 -12.187   2.117  -1.279
  268   1HG   LYS  37          1HG       LYS  37 -13.403  -0.041  -1.153
  269   2HG   LYS  37          2HG       LYS  37 -12.934  -0.227   0.525
  270   1HD   LYS  37          1HD       LYS  37 -15.241   0.609   0.394
  271   2HD   LYS  37          2HD       LYS  37 -14.213   1.829   1.113
  272   1HE   LYS  37          1HE       LYS  37 -15.779   2.800  -0.572
  273   2HE   LYS  37          2HE       LYS  37 -14.113   3.054  -1.056
  274   1HZ   LYS  37          1HZ       LYS  37 -15.716   0.748  -1.981
  275   2HZ   LYS  37          2HZ       LYS  37 -15.666   2.230  -2.810
  276   3HZ   LYS  37          3HZ       LYS  37 -14.246   1.320  -2.611
  277    H    GLY  38           H        GLY  38 -10.701  -1.658   0.159
  278   1HA   GLY  38          1HA       GLY  38 -11.589  -3.716  -0.647
  279   2HA   GLY  38          2HA       GLY  38 -11.773  -2.999  -2.247
  280    H    CYS  39           H        CYS  39  -9.167  -1.930  -2.478
  281    HA   CYS  39           HA       CYS  39  -7.704  -4.252  -3.378
  282   1HB   CYS  39          1HB       CYS  39  -6.730  -1.414  -3.059
  283   2HB   CYS  39          2HB       CYS  39  -6.080  -2.629  -4.122
  284    H    LYS  40           H        LYS  40  -5.715  -4.927  -2.612
  285    HA   LYS  40           HA       LYS  40  -5.101  -4.332   0.265
  286   1HB   LYS  40          1HB       LYS  40  -4.834  -6.979  -1.215
  287   2HB   LYS  40          2HB       LYS  40  -4.459  -6.708   0.480
  288   1HG   LYS  40          1HG       LYS  40  -6.820  -6.106   0.929
  289   2HG   LYS  40          2HG       LYS  40  -7.213  -6.278  -0.772
  290   1HD   LYS  40          1HD       LYS  40  -6.527  -8.694  -0.657
  291   2HD   LYS  40          2HD       LYS  40  -6.254  -8.505   1.066
  292   1HE   LYS  40          1HE       LYS  40  -8.514  -9.446   0.623
  293   2HE   LYS  40          2HE       LYS  40  -8.649  -7.867   1.377
  294   1HZ   LYS  40          1HZ       LYS  40  -8.623  -8.076  -1.550
  295   2HZ   LYS  40          2HZ       LYS  40 -10.047  -8.427  -0.693
  296   3HZ   LYS  40          3HZ       LYS  40  -9.330  -6.893  -0.559
  297    H    TYR  41           H        TYR  41  -3.306  -3.084   0.214
  298    HA   TYR  41           HA       TYR  41  -1.289  -3.482  -1.839
  299   1HB   TYR  41          1HB       TYR  41  -1.653  -1.368   0.312
  300   2HB   TYR  41          2HB       TYR  41  -0.367  -1.385  -0.861
  301    HD1  TYR  41           HD1      TYR  41  -4.002  -0.989  -0.408
  302    HD2  TYR  41           HD2      TYR  41  -0.803  -0.885  -3.220
  303    HE1  TYR  41           HE1      TYR  41  -5.470   0.088  -2.040
  304    HE2  TYR  41           HE2      TYR  41  -2.278   0.191  -4.853
  305    HH   TYR  41           HH       TYR  41  -4.896   1.735  -4.235
  306    H    PHE  42           H        PHE  42   0.293  -4.801  -1.530
  307    HA   PHE  42           HA       PHE  42   1.462  -5.281   1.137
  308   1HB   PHE  42          1HB       PHE  42   2.266  -7.285  -0.810
  309   2HB   PHE  42          2HB       PHE  42   1.385  -7.459   0.680
  310    HD1  PHE  42           HD1      PHE  42   0.775  -6.438  -2.879
  311    HD2  PHE  42           HD2      PHE  42  -0.715  -8.253   0.662
  312    HE1  PHE  42           HE1      PHE  42  -1.293  -7.090  -4.071
  313    HE2  PHE  42           HE2      PHE  42  -2.777  -8.907  -0.518
  314    HZ   PHE  42           HZ       PHE  42  -3.059  -8.327  -2.878
  315    H    SER  43           H        SER  43   3.608  -5.558   1.339
  316    HA   SER  43           HA       SER  43   5.284  -3.801  -0.101
  317   1HB   SER  43          1HB       SER  43   5.870  -5.916   2.011
  318   2HB   SER  43          2HB       SER  43   6.940  -4.625   1.520
  319    HG   SER  43           HG       SER  43   5.239  -3.147   2.029
  320    H    ASP  44           H        ASP  44   7.563  -4.648  -0.367
  321    HA   ASP  44           HA       ASP  44   7.551  -6.401  -2.715
  322   1HB   ASP  44          1HB       ASP  44   9.030  -4.161  -1.970
  323   2HB   ASP  44          2HB       ASP  44  10.186  -5.446  -1.698
  324    H    ASP  45           H        ASP  45   8.904  -6.418   0.509
  325    HA   ASP  45           HA       ASP  45  10.365  -8.890   0.239
  326   1HB   ASP  45          1HB       ASP  45  10.673  -8.708   2.667
  327   2HB   ASP  45          2HB       ASP  45  10.858  -7.120   1.949
  328    H    GLY  46           H        GLY  46   7.101  -8.441   0.164
  329   1HA   GLY  46          1HA       GLY  46   5.420  -9.964   0.114
  330   2HA   GLY  46          2HA       GLY  46   6.535 -11.214   0.693
  331    H    THR  47           H        THR  47   5.049  -8.195   1.771
  332    HA   THR  47           HA       THR  47   3.987  -9.390   4.136
  333    HB   THR  47           HB       THR  47   6.139  -7.220   4.192
  334    HG1  THR  47           HG1      THR  47   6.883  -9.308   4.185
  335   1HG2  THR  47          1HG2      THR  47   4.536  -8.380   6.564
  336   2HG2  THR  47          2HG2      THR  47   5.824  -7.193   6.687
  337   3HG2  THR  47          3HG2      THR  47   4.292  -6.751   5.956
  338    H    PHE  48           H        PHE  48   2.012  -8.778   3.998
  339    HA   PHE  48           HA       PHE  48   0.903  -6.686   2.518
  340   1HB   PHE  48          1HB       PHE  48  -0.478  -8.505   3.217
  341   2HB   PHE  48          2HB       PHE  48  -0.116  -8.232   4.913
  342    HD1  PHE  48           HD1      PHE  48  -1.655  -6.483   1.948
  343    HD2  PHE  48           HD2      PHE  48  -1.565  -6.937   6.188
  344    HE1  PHE  48           HE1      PHE  48  -3.581  -4.975   2.159
  345    HE2  PHE  48           HE2      PHE  48  -3.484  -5.432   6.390
  346    HZ   PHE  48           HZ       PHE  48  -4.486  -4.453   4.391
  347    H    VAL  49           H        VAL  49   0.478  -4.630   2.809
  348    HA   VAL  49           HA       VAL  49   1.391  -3.302   5.326
  349    HB   VAL  49           HB       VAL  49   0.885  -2.045   2.581
  350   1HG1  VAL  49          1HG1      VAL  49   2.278  -0.964   5.075
  351   2HG1  VAL  49          2HG1      VAL  49   2.151  -0.125   3.542
  352   3HG1  VAL  49          3HG1      VAL  49   0.710  -0.435   4.490
  353   1HG2  VAL  49          1HG2      VAL  49   3.474  -2.885   3.945
  354   2HG2  VAL  49          2HG2      VAL  49   2.766  -3.663   2.536
  355   3HG2  VAL  49          3HG2      VAL  49   3.377  -2.024   2.421
  356    H    CYS  50           H        CYS  50  -1.212  -2.581   2.868
  357    HA   CYS  50           HA       CYS  50  -3.238  -2.670   4.978
  358   1HB   CYS  50          1HB       CYS  50  -3.577  -0.481   5.488
  359   2HB   CYS  50          2HB       CYS  50  -1.897  -0.312   5.071
  360    H    GLU  51           H        GLU  51  -5.433  -2.150   4.110
  361    HA   GLU  51           HA       GLU  51  -5.513  -2.664   1.223
  362   1HB   GLU  51          1HB       GLU  51  -8.047  -2.533   2.867
  363   2HB   GLU  51          2HB       GLU  51  -7.578  -3.658   1.622
  364   1HG   GLU  51          1HG       GLU  51  -6.111  -4.841   3.175
  365   2HG   GLU  51          2HG       GLU  51  -6.546  -3.720   4.466
  366    H    GLY  52           H        GLY  52  -4.605  -0.340   1.500
  367   1HA   GLY  52          1HA       GLY  52  -4.864   1.984   1.315
  368   2HA   GLY  52          2HA       GLY  52  -5.829   1.476  -0.053
  369    H    GLU  53           H        GLU  53  -7.460   2.842  -0.049
  370    HA   GLU  53           HA       GLU  53  -9.837   2.869   0.983
  371   1HB   GLU  53          1HB       GLU  53  -8.083   3.996   3.212
  372   2HB   GLU  53          2HB       GLU  53  -9.670   4.685   2.986
  373   1HG   GLU  53          1HG       GLU  53 -10.818   2.652   3.337
  374   2HG   GLU  53          2HG       GLU  53  -9.383   1.665   3.243
  375    H    SER  54           H        SER  54  -9.434   3.824  -1.210
  376    HA   SER  54           HA       SER  54  -8.539   6.521  -1.507
  377   1HB   SER  54          1HB       SER  54  -8.776   5.156  -3.517
  378   2HB   SER  54          2HB       SER  54 -10.519   4.958  -3.245
  379    HG   SER  54           HG       SER  54  -9.354   7.515  -3.318
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  -9.819  12.127   7.019
    2   2H    MET   1          2H        MET   1  -8.855  12.149   8.418
    3   3H    MET   1          3H        MET   1  -9.351  13.609   7.704
    4    HA   MET   1           HA       MET   1  -7.092  13.249   7.165
    5   1HB   MET   1          1HB       MET   1  -7.882  10.503   7.105
    6   2HB   MET   1          2HB       MET   1  -7.399  10.861   5.462
    7   1HG   MET   1          1HG       MET   1  -5.762  11.344   7.961
    8   2HG   MET   1          2HG       MET   1  -5.496  10.084   6.790
    9   1HE   MET   1          1HE       MET   1  -5.406  11.002   4.064
   10   2HE   MET   1          2HE       MET   1  -3.810  11.696   3.857
   11   3HE   MET   1          3HE       MET   1  -3.983  10.226   4.802
   12    H    LYS   2           H        LYS   2  -6.679  14.572   5.551
   13    HA   LYS   2           HA       LYS   2  -8.553  15.304   3.592
   14   1HB   LYS   2          1HB       LYS   2  -6.692  16.710   4.559
   15   2HB   LYS   2          2HB       LYS   2  -5.532  15.736   3.685
   16   1HG   LYS   2          1HG       LYS   2  -5.974  17.835   2.504
   17   2HG   LYS   2          2HG       LYS   2  -6.498  16.481   1.529
   18   1HD   LYS   2          1HD       LYS   2  -8.854  16.847   2.267
   19   2HD   LYS   2          2HD       LYS   2  -8.329  18.122   3.353
   20   1HE   LYS   2          1HE       LYS   2  -9.216  19.048   1.296
   21   2HE   LYS   2          2HE       LYS   2  -7.483  19.377   1.400
   22   1HZ   LYS   2          1HZ       LYS   2  -8.333  16.935   0.041
   23   2HZ   LYS   2          2HZ       LYS   2  -8.573  18.408  -0.769
   24   3HZ   LYS   2          3HZ       LYS   2  -7.013  17.952  -0.277
   25    H    ALA   3           H        ALA   3  -8.260  15.237   1.265
   26    HA   ALA   3           HA       ALA   3  -8.306  12.793   0.111
   27   1HB   ALA   3          1HB       ALA   3  -8.996  14.855  -1.032
   28   2HB   ALA   3          2HB       ALA   3  -7.322  15.375  -1.154
   29   3HB   ALA   3          3HB       ALA   3  -7.875  13.972  -2.057
   30    H    CYS   4           H        CYS   4  -6.889  11.306  -0.716
   31    HA   CYS   4           HA       CYS   4  -4.204  11.243   0.186
   32   1HB   CYS   4          1HB       CYS   4  -5.333   9.705  -2.138
   33   2HB   CYS   4          2HB       CYS   4  -4.002   9.268  -1.121
   34    H    THR   5           H        THR   5  -2.281  11.119  -1.053
   35    HA   THR   5           HA       THR   5  -2.074  13.199  -3.099
   36    HB   THR   5           HB       THR   5   0.252  11.535  -1.941
   37    HG1  THR   5           HG1      THR   5  -1.391  13.530  -0.769
   38   1HG2  THR   5          1HG2      THR   5  -0.198  14.519  -2.417
   39   2HG2  THR   5          2HG2      THR   5   1.327  13.748  -1.994
   40   3HG2  THR   5          3HG2      THR   5   0.625  13.500  -3.589
   41    H    LEU   6           H        LEU   6   0.132  12.096  -4.472
   42    HA   LEU   6           HA       LEU   6  -0.943   9.669  -5.836
   43   1HB   LEU   6          1HB       LEU   6   0.195  12.170  -7.169
   44   2HB   LEU   6          2HB       LEU   6  -0.284  10.717  -8.021
   45    HG   LEU   6           HG       LEU   6  -2.203  12.445  -6.374
   46   1HD1  LEU   6          1HD1      LEU   6  -1.813  12.257  -9.395
   47   2HD1  LEU   6          2HD1      LEU   6  -3.059  13.192  -8.583
   48   3HD1  LEU   6          3HD1      LEU   6  -1.372  13.632  -8.396
   49   1HD2  LEU   6          1HD2      LEU   6  -2.733  10.159  -8.339
   50   2HD2  LEU   6          2HD2      LEU   6  -2.918  10.040  -6.598
   51   3HD2  LEU   6          3HD2      LEU   6  -3.961  11.104  -7.515
   52    H    ASN   7           H        ASN   7   1.423  10.748  -4.002
   53    HA   ASN   7           HA       ASN   7   3.811  10.259  -5.293
   54   1HB   ASN   7          1HB       ASN   7   3.195   9.814  -2.336
   55   2HB   ASN   7          2HB       ASN   7   4.778  10.106  -3.026
   56   1HD2  ASN   7          2HD2      ASN   7   3.592  12.199  -4.943
   57   2HD2  ASN   7          1HD2      ASN   7   3.351  13.557  -3.954
   58    H    CYS   8           H        CYS   8   5.308   8.492  -4.163
   59    HA   CYS   8           HA       CYS   8   4.117   5.775  -4.734
   60   1HB   CYS   8          1HB       CYS   8   6.876   6.957  -4.917
   61   2HB   CYS   8          2HB       CYS   8   6.656   5.265  -4.787
   62    H    ASP   9           H        ASP   9   4.708   4.240  -3.154
   63    HA   ASP   9           HA       ASP   9   5.672   5.320  -0.525
   64   1HB   ASP   9          1HB       ASP   9   3.275   4.908  -0.733
   65   2HB   ASP   9          2HB       ASP   9   3.564   3.189  -0.930
   66    HA   PRO  10           HA       PRO  10   8.762   2.392  -1.822
   67   1HB   PRO  10          1HB       PRO  10  10.449   2.703   0.437
   68   2HB   PRO  10          2HB       PRO  10  10.529   3.603  -1.069
   69   1HG   PRO  10          1HG       PRO  10   9.463   4.450   1.547
   70   2HG   PRO  10          2HG       PRO  10  10.004   5.438   0.198
   71   1HD   PRO  10          1HD       PRO  10   7.317   5.000   0.935
   72   2HD   PRO  10          2HD       PRO  10   7.858   5.650  -0.624
   73    H    ARG  11           H        ARG  11   7.248   2.179   1.258
   74    HA   ARG  11           HA       ARG  11   8.247  -0.473   1.945
   75   1HB   ARG  11          1HB       ARG  11   6.726  -0.393   3.800
   76   2HB   ARG  11          2HB       ARG  11   7.366   1.231   3.609
   77   1HG   ARG  11          1HG       ARG  11   5.340   1.711   2.135
   78   2HG   ARG  11          2HG       ARG  11   4.709   0.167   2.659
   79   1HD   ARG  11          1HD       ARG  11   4.674   0.885   4.991
   80   2HD   ARG  11          2HD       ARG  11   5.318   2.472   4.516
   81    HE   ARG  11           HE       ARG  11   3.194   1.856   2.805
   82   1HH1  ARG  11          1HH1      ARG  11   3.724   2.539   6.157
   83   2HH1  ARG  11          2HH1      ARG  11   2.154   3.226   6.402
   84   1HH2  ARG  11          1HH2      ARG  11   1.181   2.730   3.082
   85   2HH2  ARG  11          2HH2      ARG  11   0.683   3.335   4.627
   86    H    ILE  12           H        ILE  12   5.606   0.842   0.137
   87    HA   ILE  12           HA       ILE  12   4.188  -1.728  -0.114
   88    HB   ILE  12           HB       ILE  12   3.621   0.960  -1.390
   89   1HG1  ILE  12          1HG1      ILE  12   2.541  -0.541   1.038
   90   2HG1  ILE  12          2HG1      ILE  12   3.408   0.984   1.047
   91   1HG2  ILE  12          1HG2      ILE  12   2.717  -0.985  -2.732
   92   2HG2  ILE  12          2HG2      ILE  12   1.946  -1.616  -1.287
   93   3HG2  ILE  12          3HG2      ILE  12   1.420  -0.093  -1.988
   94   1HD1  ILE  12          1HD1      ILE  12   1.563   2.035  -0.195
   95   2HD1  ILE  12          2HD1      ILE  12   0.674   0.512  -0.135
   96   3HD1  ILE  12          3HD1      ILE  12   1.056   1.358   1.355
   97    H    ALA  13           H        ALA  13   4.193  -2.948  -1.832
   98    HA   ALA  13           HA       ALA  13   6.187  -2.468  -4.002
   99   1HB   ALA  13          1HB       ALA  13   4.691  -5.010  -3.188
  100   2HB   ALA  13          2HB       ALA  13   5.931  -4.915  -4.419
  101   3HB   ALA  13          3HB       ALA  13   6.339  -4.589  -2.750
  102    H    TYR  14           H        TYR  14   2.981  -3.822  -3.474
  103    HA   TYR  14           HA       TYR  14   1.716  -2.206  -5.522
  104   1HB   TYR  14          1HB       TYR  14   1.172  -4.158  -7.048
  105   2HB   TYR  14          2HB       TYR  14   2.872  -3.761  -6.978
  106    HD1  TYR  14           HD1      TYR  14   4.452  -5.236  -5.868
  107    HD2  TYR  14           HD2      TYR  14   0.326  -6.240  -6.062
  108    HE1  TYR  14           HE1      TYR  14   4.994  -7.513  -5.245
  109    HE2  TYR  14           HE2      TYR  14   0.857  -8.529  -5.436
  110    HH   TYR  14           HH       TYR  14   3.001  -9.621  -4.036
  111    H    GLY  15           H        GLY  15  -0.398  -3.787  -6.123
  112   1HA   GLY  15          1HA       GLY  15  -1.502  -5.038  -3.771
  113   2HA   GLY  15          2HA       GLY  15  -2.158  -3.425  -4.023
  114    H    VAL  16           H        VAL  16  -3.758  -5.520  -3.958
  115    HA   VAL  16           HA       VAL  16  -4.704  -5.804  -6.786
  116    HB   VAL  16           HB       VAL  16  -5.011  -7.950  -4.625
  117   1HG1  VAL  16          1HG1      VAL  16  -5.352  -7.951  -7.664
  118   2HG1  VAL  16          2HG1      VAL  16  -5.605  -9.349  -6.629
  119   3HG1  VAL  16          3HG1      VAL  16  -6.682  -7.969  -6.522
  120   1HG2  VAL  16          1HG2      VAL  16  -2.586  -7.643  -5.293
  121   2HG2  VAL  16          2HG2      VAL  16  -3.219  -9.173  -5.864
  122   3HG2  VAL  16          3HG2      VAL  16  -3.039  -7.823  -6.971
  123    H    CYS  17           H        CYS  17  -6.598  -5.045  -7.124
  124    HA   CYS  17           HA       CYS  17  -8.493  -4.548  -4.869
  125   1HB   CYS  17          1HB       CYS  17  -8.329  -3.101  -7.519
  126   2HB   CYS  17          2HB       CYS  17  -9.283  -2.631  -6.150
  127    HA   PRO  18           HA       PRO  18 -11.769  -6.594  -7.331
  128   1HB   PRO  18          1HB       PRO  18 -13.590  -4.351  -6.963
  129   2HB   PRO  18          2HB       PRO  18 -13.691  -5.964  -6.277
  130   1HG   PRO  18          1HG       PRO  18 -12.991  -3.549  -4.916
  131   2HG   PRO  18          2HG       PRO  18 -12.999  -5.175  -4.254
  132   1HD   PRO  18          1HD       PRO  18 -10.703  -3.527  -4.921
  133   2HD   PRO  18          2HD       PRO  18 -10.705  -5.130  -4.171
  134    H    ARG  19           H        ARG  19 -12.509  -6.323  -9.447
  135    HA   ARG  19           HA       ARG  19 -12.363  -5.592 -11.661
  136   1HB   ARG  19          1HB       ARG  19 -12.430  -2.764 -10.506
  137   2HB   ARG  19          2HB       ARG  19 -13.038  -3.301 -12.059
  138   1HG   ARG  19          1HG       ARG  19 -14.794  -4.645 -10.935
  139   2HG   ARG  19          2HG       ARG  19 -14.188  -4.154  -9.360
  140   1HD   ARG  19          1HD       ARG  19 -14.621  -1.788  -9.909
  141   2HD   ARG  19          2HD       ARG  19 -15.241  -2.268 -11.493
  142    HE   ARG  19           HE       ARG  19 -16.659  -3.740  -9.523
  143   1HH1  ARG  19          1HH1      ARG  19 -16.234  -0.478 -10.607
  144   2HH1  ARG  19          2HH1      ARG  19 -17.819   0.014 -10.114
  145   1HH2  ARG  19          1HH2      ARG  19 -18.671  -3.141  -8.890
  146   2HH2  ARG  19          2HH2      ARG  19 -19.221  -1.515  -9.127
  147    H    SER  20           H        SER  20 -10.038  -6.171 -10.369
  148    HA   SER  20           HA       SER  20  -8.002  -4.973 -12.028
  149   1HB   SER  20          1HB       SER  20  -7.806  -4.691  -8.956
  150   2HB   SER  20          2HB       SER  20  -6.540  -4.252 -10.106
  151    HG   SER  20           HG       SER  20  -8.201  -2.889 -11.098
  152    H    GLU  21           H        GLU  21  -7.288  -6.812 -12.684
  153    HA   GLU  21           HA       GLU  21  -7.498  -9.290 -11.285
  154   1HB   GLU  21          1HB       GLU  21  -5.976  -8.553 -13.824
  155   2HB   GLU  21          2HB       GLU  21  -6.229 -10.203 -13.275
  156   1HG   GLU  21          1HG       GLU  21  -8.700  -9.871 -13.414
  157   2HG   GLU  21          2HG       GLU  21  -8.451  -8.221 -13.962
  158    H    GLU  22           H        GLU  22  -4.376  -9.153 -12.719
  159    HA   GLU  22           HA       GLU  22  -2.237  -9.231 -11.835
  160   1HB   GLU  22          1HB       GLU  22  -3.344  -6.940 -10.733
  161   2HB   GLU  22          2HB       GLU  22  -2.878  -7.792  -9.280
  162   1HG   GLU  22          1HG       GLU  22  -0.554  -8.070 -10.289
  163   2HG   GLU  22          2HG       GLU  22  -1.066  -7.030 -11.610
  164    H    LYS  23           H        LYS  23  -1.547 -11.149 -11.151
  165    HA   LYS  23           HA       LYS  23  -2.892 -12.708  -9.157
  166   1HB   LYS  23          1HB       LYS  23  -0.353 -12.910 -10.773
  167   2HB   LYS  23          2HB       LYS  23  -0.385 -13.882  -9.325
  168   1HG   LYS  23          1HG       LYS  23  -2.485 -13.961 -11.534
  169   2HG   LYS  23          2HG       LYS  23  -1.188 -15.116 -11.357
  170   1HD   LYS  23          1HD       LYS  23  -3.477 -14.682  -9.366
  171   2HD   LYS  23          2HD       LYS  23  -3.285 -16.037 -10.450
  172   1HE   LYS  23          1HE       LYS  23  -1.397 -15.358  -8.150
  173   2HE   LYS  23          2HE       LYS  23  -2.551 -16.678  -8.202
  174   1HZ   LYS  23          1HZ       LYS  23  -1.347 -17.456 -10.233
  175   2HZ   LYS  23          2HZ       LYS  23  -0.132 -16.333  -9.853
  176   3HZ   LYS  23          3HZ       LYS  23  -0.499 -17.588  -8.768
  177    H    LYS  24           H        LYS  24   0.522 -11.938  -8.923
  178    HA   LYS  24           HA       LYS  24   0.522 -10.105  -6.779
  179   1HB   LYS  24          1HB       LYS  24  -0.509 -11.996  -5.430
  180   2HB   LYS  24          2HB       LYS  24   0.775 -13.070  -5.944
  181   1HG   LYS  24          1HG       LYS  24   2.420 -11.714  -4.663
  182   2HG   LYS  24          2HG       LYS  24   1.157 -10.561  -4.257
  183   1HD   LYS  24          1HD       LYS  24  -0.062 -12.412  -3.065
  184   2HD   LYS  24          2HD       LYS  24   1.278 -13.488  -3.424
  185   1HE   LYS  24          1HE       LYS  24   1.465 -10.909  -1.798
  186   2HE   LYS  24          2HE       LYS  24   1.525 -12.540  -1.147
  187   1HZ   LYS  24          1HZ       LYS  24   3.495 -12.887  -2.637
  188   2HZ   LYS  24          2HZ       LYS  24   3.497 -11.207  -2.890
  189   3HZ   LYS  24          3HZ       LYS  24   3.723 -11.829  -1.326
  190    H    ASN  25           H        ASN  25   1.831  -9.945  -8.898
  191    HA   ASN  25           HA       ASN  25   4.623 -10.237  -8.243
  192   1HB   ASN  25          1HB       ASN  25   3.411 -12.489  -9.541
  193   2HB   ASN  25          2HB       ASN  25   4.328 -11.708 -10.806
  194   1HD2  ASN  25          2HD2      ASN  25   4.566 -13.353  -7.706
  195   2HD2  ASN  25          1HD2      ASN  25   6.254 -13.540  -7.728
  196    H    ASP  26           H        ASP  26   3.575  -8.007  -8.600
  197    HA   ASP  26           HA       ASP  26   4.750  -6.871 -11.033
  198   1HB   ASP  26          1HB       ASP  26   2.607  -7.231 -12.056
  199   2HB   ASP  26          2HB       ASP  26   1.747  -7.011 -10.547
  200    H    ARG  27           H        ARG  27   6.005  -5.457  -9.918
  201    HA   ARG  27           HA       ARG  27   5.027  -4.138  -7.493
  202   1HB   ARG  27          1HB       ARG  27   7.185  -5.130  -7.280
  203   2HB   ARG  27          2HB       ARG  27   7.735  -4.476  -8.800
  204   1HG   ARG  27          1HG       ARG  27   7.003  -2.290  -6.979
  205   2HG   ARG  27          2HG       ARG  27   8.115  -3.369  -6.192
  206   1HD   ARG  27          1HD       ARG  27   9.526  -1.767  -7.240
  207   2HD   ARG  27          2HD       ARG  27   9.601  -3.157  -8.299
  208    HE   ARG  27           HE       ARG  27   8.398  -1.977  -9.943
  209   1HH1  ARG  27          1HH1      ARG  27   8.489  -0.237  -6.939
  210   2HH1  ARG  27          2HH1      ARG  27   7.890   1.226  -7.644
  211   1HH2  ARG  27          1HH2      ARG  27   7.635  -0.140 -10.844
  212   2HH2  ARG  27          2HH2      ARG  27   7.397   1.284  -9.886
  213    H    ILE  28           H        ILE  28   3.833  -2.643  -7.899
  214    HA   ILE  28           HA       ILE  28   4.065  -0.652  -9.970
  215    HB   ILE  28           HB       ILE  28   2.111  -0.612  -7.684
  216   1HG1  ILE  28          1HG1      ILE  28   1.602  -2.238 -10.236
  217   2HG1  ILE  28          2HG1      ILE  28   2.262  -3.048  -8.847
  218   1HG2  ILE  28          1HG2      ILE  28   1.866   0.029 -10.630
  219   2HG2  ILE  28          2HG2      ILE  28   0.572   0.210  -9.449
  220   3HG2  ILE  28          3HG2      ILE  28   1.994   1.215  -9.341
  221   1HD1  ILE  28          1HD1      ILE  28   0.282  -2.307  -7.500
  222   2HD1  ILE  28          2HD1      ILE  28  -0.422  -1.624  -8.955
  223   3HD1  ILE  28          3HD1      ILE  28  -0.125  -3.350  -8.843
  224    H    CYS  29           H        CYS  29   3.416   1.685  -8.652
  225    HA   CYS  29           HA       CYS  29   5.127   2.068  -6.283
  226   1HB   CYS  29          1HB       CYS  29   6.431   2.244  -8.460
  227   2HB   CYS  29          2HB       CYS  29   5.435   3.593  -8.868
  228    H    THR  30           H        THR  30   3.272   2.563  -5.214
  229    HA   THR  30           HA       THR  30   2.043   5.190  -5.726
  230    HB   THR  30           HB       THR  30   0.638   3.607  -7.090
  231    HG1  THR  30           HG1      THR  30  -0.199   5.285  -5.426
  232   1HG2  THR  30          1HG2      THR  30   0.156   2.196  -4.413
  233   2HG2  THR  30          2HG2      THR  30  -0.623   1.799  -5.939
  234   3HG2  THR  30          3HG2      THR  30   1.095   1.513  -5.727
  235    H    ASN  31           H        ASN  31   0.068   5.177  -3.854
  236    HA   ASN  31           HA       ASN  31   1.488   4.502  -1.321
  237   1HB   ASN  31          1HB       ASN  31  -0.609   6.675  -1.699
  238   2HB   ASN  31          2HB       ASN  31   0.436   6.469  -0.312
  239   1HD2  ASN  31          2HD2      ASN  31   0.040   8.628  -2.468
  240   2HD2  ASN  31          1HD2      ASN  31   1.638   9.023  -2.869
  241    H    CYS  32           H        CYS  32   0.123   4.228   0.560
  242    HA   CYS  32           HA       CYS  32  -1.778   2.117   0.192
  243   1HB   CYS  32          1HB       CYS  32  -0.648   2.181   2.309
  244   2HB   CYS  32          2HB       CYS  32  -1.058   3.858   2.574
  245    H    CYS  33           H        CYS  33  -2.178   5.417   1.326
  246    HA   CYS  33           HA       CYS  33  -4.995   5.529   1.439
  247   1HB   CYS  33          1HB       CYS  33  -3.344   7.165   2.375
  248   2HB   CYS  33          2HB       CYS  33  -3.060   7.761   0.769
  249    H    ALA  34           H        ALA  34  -2.768   6.427  -1.131
  250    HA   ALA  34           HA       ALA  34  -4.566   7.357  -3.080
  251   1HB   ALA  34          1HB       ALA  34  -2.110   7.561  -3.282
  252   2HB   ALA  34          2HB       ALA  34  -1.967   5.822  -3.489
  253   3HB   ALA  34          3HB       ALA  34  -2.767   6.791  -4.716
  254    H    GLY  35           H        GLY  35  -3.741   4.068  -2.213
  255   1HA   GLY  35          1HA       GLY  35  -4.655   2.648  -4.379
  256   2HA   GLY  35          2HA       GLY  35  -4.724   2.039  -2.729
  257    H    THR  36           H        THR  36  -6.712   1.424  -4.698
  258    HA   THR  36           HA       THR  36  -8.991   3.180  -4.195
  259    HB   THR  36           HB       THR  36  -9.442   0.473  -5.402
  260    HG1  THR  36           HG1      THR  36  -7.437   1.224  -6.275
  261   1HG2  THR  36          1HG2      THR  36 -10.148   3.316  -6.312
  262   2HG2  THR  36          2HG2      THR  36 -10.759   1.831  -7.020
  263   3HG2  THR  36          3HG2      THR  36 -11.243   2.292  -5.401
  264    H    LYS  37           H        LYS  37 -11.096   1.999  -3.641
  265    HA   LYS  37           HA       LYS  37 -10.845   0.998  -0.930
  266   1HB   LYS  37          1HB       LYS  37 -13.470   0.740  -2.356
  267   2HB   LYS  37          2HB       LYS  37 -13.140   1.324  -0.739
  268   1HG   LYS  37          1HG       LYS  37 -12.190   3.440  -1.743
  269   2HG   LYS  37          2HG       LYS  37 -12.650   2.872  -3.335
  270   1HD   LYS  37          1HD       LYS  37 -14.594   3.348  -1.043
  271   2HD   LYS  37          2HD       LYS  37 -14.326   4.444  -2.381
  272   1HE   LYS  37          1HE       LYS  37 -15.429   1.604  -2.620
  273   2HE   LYS  37          2HE       LYS  37 -16.334   3.094  -2.811
  274   1HZ   LYS  37          1HZ       LYS  37 -14.723   3.653  -4.630
  275   2HZ   LYS  37          2HZ       LYS  37 -14.200   2.039  -4.549
  276   3HZ   LYS  37          3HZ       LYS  37 -15.814   2.390  -4.948
  277    H    GLY  38           H        GLY  38 -11.224  -0.970  -0.103
  278   1HA   GLY  38          1HA       GLY  38 -11.587  -3.280   0.010
  279   2HA   GLY  38          2HA       GLY  38 -12.161  -3.247  -1.648
  280    H    CYS  39           H        CYS  39  -9.240  -1.771  -1.786
  281    HA   CYS  39           HA       CYS  39  -7.945  -3.983  -3.061
  282   1HB   CYS  39          1HB       CYS  39  -6.768  -1.389  -2.080
  283   2HB   CYS  39          2HB       CYS  39  -6.066  -2.467  -3.244
  284    H    LYS  40           H        LYS  40  -5.610  -4.397  -2.555
  285    HA   LYS  40           HA       LYS  40  -5.031  -4.768   0.337
  286   1HB   LYS  40          1HB       LYS  40  -4.984  -7.024  -1.745
  287   2HB   LYS  40          2HB       LYS  40  -4.390  -7.154  -0.099
  288   1HG   LYS  40          1HG       LYS  40  -6.709  -6.641   0.745
  289   2HG   LYS  40          2HG       LYS  40  -7.276  -6.565  -0.912
  290   1HD   LYS  40          1HD       LYS  40  -7.817  -8.760  -0.044
  291   2HD   LYS  40          2HD       LYS  40  -6.565  -8.944  -1.253
  292   1HE   LYS  40          1HE       LYS  40  -4.839  -9.122   0.537
  293   2HE   LYS  40          2HE       LYS  40  -6.077  -8.873   1.761
  294   1HZ   LYS  40          1HZ       LYS  40  -7.172 -10.879   0.983
  295   2HZ   LYS  40          2HZ       LYS  40  -5.946 -11.115  -0.168
  296   3HZ   LYS  40          3HZ       LYS  40  -5.582 -11.189   1.489
  297    H    TYR  41           H        TYR  41  -3.381  -3.304   0.187
  298    HA   TYR  41           HA       TYR  41  -1.363  -3.579  -1.918
  299   1HB   TYR  41          1HB       TYR  41  -2.131  -1.472   0.115
  300   2HB   TYR  41          2HB       TYR  41  -0.551  -1.418  -0.627
  301    HD1  TYR  41           HD1      TYR  41  -3.653  -2.591  -2.420
  302    HD2  TYR  41           HD2      TYR  41  -0.871   0.602  -1.893
  303    HE1  TYR  41           HE1      TYR  41  -4.549  -1.485  -4.381
  304    HE2  TYR  41           HE2      TYR  41  -1.802   1.702  -3.868
  305    HH   TYR  41           HH       TYR  41  -3.292   1.622  -5.506
  306    H    PHE  42           H        PHE  42   0.314  -4.823  -1.595
  307    HA   PHE  42           HA       PHE  42   1.448  -5.179   1.117
  308   1HB   PHE  42          1HB       PHE  42   2.230  -7.397  -0.467
  309   2HB   PHE  42          2HB       PHE  42   1.107  -7.354   0.855
  310    HD1  PHE  42           HD1      PHE  42   1.132  -6.644  -2.839
  311    HD2  PHE  42           HD2      PHE  42  -1.000  -8.070   0.557
  312    HE1  PHE  42           HE1      PHE  42  -0.739  -7.329  -4.283
  313    HE2  PHE  42           HE2      PHE  42  -2.867  -8.755  -0.884
  314    HZ   PHE  42           HZ       PHE  42  -2.739  -8.387  -3.297
  315    H    SER  43           H        SER  43   3.561  -5.698   1.296
  316    HA   SER  43           HA       SER  43   5.412  -4.092  -0.151
  317   1HB   SER  43          1HB       SER  43   5.864  -6.313   1.886
  318   2HB   SER  43          2HB       SER  43   6.960  -5.019   1.442
  319    HG   SER  43           HG       SER  43   5.178  -3.571   2.017
  320    H    ASP  44           H        ASP  44   7.554  -5.252  -0.576
  321    HA   ASP  44           HA       ASP  44   7.071  -7.113  -2.816
  322   1HB   ASP  44          1HB       ASP  44   8.823  -4.983  -2.488
  323   2HB   ASP  44          2HB       ASP  44   9.893  -6.346  -2.230
  324    H    ASP  45           H        ASP  45   8.578  -7.107   0.310
  325    HA   ASP  45           HA       ASP  45   9.921  -9.657   0.042
  326   1HB   ASP  45          1HB       ASP  45  10.267  -9.445   2.490
  327   2HB   ASP  45          2HB       ASP  45  10.618  -7.925   1.690
  328    H    GLY  46           H        GLY  46   6.686  -8.966   0.121
  329   1HA   GLY  46          1HA       GLY  46   4.917 -10.390   0.117
  330   2HA   GLY  46          2HA       GLY  46   5.952 -11.691   0.725
  331    H    THR  47           H        THR  47   4.660  -8.547   1.722
  332    HA   THR  47           HA       THR  47   3.564  -9.613   4.130
  333    HB   THR  47           HB       THR  47   5.835  -7.571   4.107
  334    HG1  THR  47           HG1      THR  47   5.358 -10.154   5.158
  335   1HG2  THR  47          1HG2      THR  47   4.190  -8.563   6.526
  336   2HG2  THR  47          2HG2      THR  47   5.552  -7.456   6.606
  337   3HG2  THR  47          3HG2      THR  47   4.045  -6.939   5.873
  338    H    PHE  48           H        PHE  48   1.646  -8.859   4.134
  339    HA   PHE  48           HA       PHE  48   0.548  -6.778   2.606
  340   1HB   PHE  48          1HB       PHE  48  -0.756  -8.596   3.612
  341   2HB   PHE  48          2HB       PHE  48  -0.407  -7.994   5.220
  342    HD1  PHE  48           HD1      PHE  48  -1.488  -5.965   6.059
  343    HD2  PHE  48           HD2      PHE  48  -2.401  -7.432   2.161
  344    HE1  PHE  48           HE1      PHE  48  -3.471  -4.530   5.983
  345    HE2  PHE  48           HE2      PHE  48  -4.384  -5.992   2.093
  346    HZ   PHE  48           HZ       PHE  48  -4.920  -4.537   4.005
  347    H    VAL  49           H        VAL  49   0.422  -4.679   2.768
  348    HA   VAL  49           HA       VAL  49   1.557  -3.332   5.186
  349    HB   VAL  49           HB       VAL  49   1.013  -2.183   2.400
  350   1HG1  VAL  49          1HG1      VAL  49   2.536  -1.022   4.783
  351   2HG1  VAL  49          2HG1      VAL  49   2.393  -0.273   3.204
  352   3HG1  VAL  49          3HG1      VAL  49   0.975  -0.458   4.212
  353   1HG2  VAL  49          1HG2      VAL  49   3.618  -3.040   3.714
  354   2HG2  VAL  49          2HG2      VAL  49   2.819  -3.884   2.398
  355   3HG2  VAL  49          3HG2      VAL  49   3.477  -2.279   2.136
  356    H    CYS  50           H        CYS  50  -1.178  -2.862   2.836
  357    HA   CYS  50           HA       CYS  50  -3.044  -2.419   5.017
  358   1HB   CYS  50          1HB       CYS  50  -3.246  -0.123   5.000
  359   2HB   CYS  50          2HB       CYS  50  -1.590  -0.152   4.455
  360    H    GLU  51           H        GLU  51  -4.975  -1.259   3.884
  361    HA   GLU  51           HA       GLU  51  -5.519  -2.661   1.296
  362   1HB   GLU  51          1HB       GLU  51  -7.043  -3.687   2.832
  363   2HB   GLU  51          2HB       GLU  51  -7.193  -2.244   3.814
  364   1HG   GLU  51          1HG       GLU  51  -8.750  -1.235   2.364
  365   2HG   GLU  51          2HG       GLU  51  -8.309  -2.185   0.972
  366    H    GLY  52           H        GLY  52  -6.097  -1.271  -0.300
  367   1HA   GLY  52          1HA       GLY  52  -5.626   1.494  -0.137
  368   2HA   GLY  52          2HA       GLY  52  -6.538   0.744  -1.424
  369    H    GLU  53           H        GLU  53  -7.374   3.163  -0.893
  370    HA   GLU  53           HA       GLU  53 -10.034   2.871   0.233
  371   1HB   GLU  53          1HB       GLU  53  -9.669   4.698   1.977
  372   2HB   GLU  53          2HB       GLU  53  -8.805   3.215   2.325
  373   1HG   GLU  53          1HG       GLU  53  -6.728   4.183   1.301
  374   2HG   GLU  53          2HG       GLU  53  -7.578   5.683   0.986
  375    H    SER  54           H        SER  54  -9.509   3.367  -2.223
  376    HA   SER  54           HA       SER  54 -10.300   4.702  -3.976
  377   1HB   SER  54          1HB       SER  54 -11.905   5.826  -2.359
  378   2HB   SER  54          2HB       SER  54 -10.655   7.025  -1.992
  379    HG   SER  54           HG       SER  54 -11.467   6.355  -4.609
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  -6.532   4.276 -11.256
    2   2H    MET   1          2H        MET   1  -7.587   3.606 -12.407
    3   3H    MET   1          3H        MET   1  -6.964   5.171 -12.633
    4    HA   MET   1           HA       MET   1  -9.195   5.370 -11.920
    5   1HB   MET   1          1HB       MET   1  -8.554   3.045 -10.378
    6   2HB   MET   1          2HB       MET   1  -8.911   4.284  -9.195
    7   1HG   MET   1          1HG       MET   1 -10.671   3.406 -11.494
    8   2HG   MET   1          2HG       MET   1 -10.940   3.083  -9.804
    9   1HE   MET   1          1HE       MET   1 -10.788   5.345  -8.134
   10   2HE   MET   1          2HE       MET   1 -12.239   6.301  -8.331
   11   3HE   MET   1          3HE       MET   1 -12.376   4.550  -8.238
   12    H    LYS   2           H        LYS   2  -9.897   6.934 -10.334
   13    HA   LYS   2           HA       LYS   2  -7.835   8.859  -9.737
   14   1HB   LYS   2          1HB       LYS   2 -10.226   9.391 -10.312
   15   2HB   LYS   2          2HB       LYS   2 -10.723   8.772  -8.748
   16   1HG   LYS   2          1HG       LYS   2  -9.361  10.470  -7.585
   17   2HG   LYS   2          2HG       LYS   2  -8.701  11.034  -9.108
   18   1HD   LYS   2          1HD       LYS   2 -11.665  11.147  -8.398
   19   2HD   LYS   2          2HD       LYS   2 -10.556  12.486  -8.186
   20   1HE   LYS   2          1HE       LYS   2 -10.057  12.435 -10.656
   21   2HE   LYS   2          2HE       LYS   2 -11.252  11.160 -10.852
   22   1HZ   LYS   2          1HZ       LYS   2 -11.975  13.690  -9.550
   23   2HZ   LYS   2          2HZ       LYS   2 -11.951  13.554 -11.242
   24   3HZ   LYS   2          3HZ       LYS   2 -12.973  12.556 -10.325
   25    H    ALA   3           H        ALA   3  -6.864   9.323  -7.876
   26    HA   ALA   3           HA       ALA   3  -7.490   8.634  -5.272
   27   1HB   ALA   3          1HB       ALA   3  -5.423   6.781  -6.582
   28   2HB   ALA   3          2HB       ALA   3  -5.777   6.813  -4.862
   29   3HB   ALA   3          3HB       ALA   3  -6.986   6.247  -5.992
   30    H    CYS   4           H        CYS   4  -5.411   8.674  -3.954
   31    HA   CYS   4           HA       CYS   4  -4.305  11.112  -3.745
   32   1HB   CYS   4          1HB       CYS   4  -3.462   8.414  -2.983
   33   2HB   CYS   4          2HB       CYS   4  -2.155   9.535  -2.935
   34    H    THR   5           H        THR   5  -1.733  11.385  -3.663
   35    HA   THR   5           HA       THR   5  -0.900  12.462  -6.056
   36    HB   THR   5           HB       THR   5   1.054  11.347  -3.960
   37    HG1  THR   5           HG1      THR   5  -0.683  12.336  -2.930
   38   1HG2  THR   5          1HG2      THR   5   1.907  12.756  -5.979
   39   2HG2  THR   5          2HG2      THR   5   0.838  14.031  -5.427
   40   3HG2  THR   5          3HG2      THR   5   2.168  13.498  -4.407
   41    H    LEU   6           H        LEU   6  -1.087   9.168  -5.480
   42    HA   LEU   6           HA       LEU   6  -0.598   7.297  -6.723
   43   1HB   LEU   6          1HB       LEU   6   0.670   9.129  -8.814
   44   2HB   LEU   6          2HB       LEU   6   0.056   7.512  -9.043
   45    HG   LEU   6           HG       LEU   6  -1.662   9.938  -8.367
   46   1HD1  LEU   6          1HD1      LEU   6  -0.765   9.991 -10.667
   47   2HD1  LEU   6          2HD1      LEU   6  -1.367   8.365 -10.952
   48   3HD1  LEU   6          3HD1      LEU   6  -2.493   9.686 -10.681
   49   1HD2  LEU   6          1HD2      LEU   6  -2.477   7.069  -9.053
   50   2HD2  LEU   6          2HD2      LEU   6  -2.623   7.797  -7.461
   51   3HD2  LEU   6          3HD2      LEU   6  -3.581   8.411  -8.793
   52    H    ASN   7           H        ASN   7   1.666   9.278  -5.412
   53    HA   ASN   7           HA       ASN   7   4.100   8.419  -6.316
   54   1HB   ASN   7          1HB       ASN   7   3.228   9.281  -3.534
   55   2HB   ASN   7          2HB       ASN   7   4.915   9.101  -3.991
   56   1HD2  ASN   7          2HD2      ASN   7   4.586  11.556  -3.276
   57   2HD2  ASN   7          1HD2      ASN   7   4.301  12.637  -4.554
   58    H    CYS   8           H        CYS   8   5.675   7.235  -5.028
   59    HA   CYS   8           HA       CYS   8   4.639   4.535  -4.337
   60   1HB   CYS   8          1HB       CYS   8   7.536   4.846  -4.586
   61   2HB   CYS   8          2HB       CYS   8   6.459   3.690  -5.311
   62    H    ASP   9           H        ASP   9   4.744   3.818  -2.328
   63    HA   ASP   9           HA       ASP   9   5.913   5.541  -0.248
   64   1HB   ASP   9          1HB       ASP   9   3.685   4.481   0.077
   65   2HB   ASP   9          2HB       ASP   9   4.425   2.908  -0.084
   66    HA   PRO  10           HA       PRO  10   9.837   3.689  -0.555
   67   1HB   PRO  10          1HB       PRO  10  10.404   3.654   2.293
   68   2HB   PRO  10          2HB       PRO  10  11.011   4.738   1.053
   69   1HG   PRO  10          1HG       PRO  10   8.964   5.244   3.040
   70   2HG   PRO  10          2HG       PRO  10   9.677   6.373   1.898
   71   1HD   PRO  10          1HD       PRO  10   7.037   5.332   1.807
   72   2HD   PRO  10          2HD       PRO  10   7.841   6.255   0.531
   73    H    ARG  11           H        ARG  11   7.484   1.954   1.226
   74    HA   ARG  11           HA       ARG  11   9.177  -0.484   0.993
   75   1HB   ARG  11          1HB       ARG  11   8.088  -1.207   3.206
   76   2HB   ARG  11          2HB       ARG  11   9.295   0.046   3.283
   77   1HG   ARG  11          1HG       ARG  11   7.476   0.677   4.744
   78   2HG   ARG  11          2HG       ARG  11   7.502   1.790   3.404
   79   1HD   ARG  11          1HD       ARG  11   5.168   1.010   3.960
   80   2HD   ARG  11          2HD       ARG  11   5.626   0.548   2.330
   81    HE   ARG  11           HE       ARG  11   5.667  -1.674   2.974
   82   1HH1  ARG  11          1HH1      ARG  11   5.588   0.405   5.748
   83   2HH1  ARG  11          2HH1      ARG  11   5.346  -0.891   6.870
   84   1HH2  ARG  11          1HH2      ARG  11   5.361  -3.358   4.417
   85   2HH2  ARG  11          2HH2      ARG  11   5.216  -3.035   6.111
   86    H    ILE  12           H        ILE  12   6.426   0.901  -0.108
   87    HA   ILE  12           HA       ILE  12   4.713  -1.505  -0.080
   88    HB   ILE  12           HB       ILE  12   4.445   1.247  -1.359
   89   1HG1  ILE  12          1HG1      ILE  12   4.016   1.132   1.107
   90   2HG1  ILE  12          2HG1      ILE  12   2.614   1.646   0.200
   91   1HG2  ILE  12          1HG2      ILE  12   2.445  -1.035  -1.630
   92   2HG2  ILE  12          2HG2      ILE  12   2.127   0.635  -2.070
   93   3HG2  ILE  12          3HG2      ILE  12   3.352  -0.278  -2.924
   94   1HD1  ILE  12          1HD1      ILE  12   3.084  -1.164   1.237
   95   2HD1  ILE  12          2HD1      ILE  12   1.998   0.032   1.931
   96   3HD1  ILE  12          3HD1      ILE  12   1.665  -0.635   0.345
   97    H    ALA  13           H        ALA  13   4.257  -2.755  -1.872
   98    HA   ALA  13           HA       ALA  13   6.197  -2.544  -4.144
   99   1HB   ALA  13          1HB       ALA  13   4.705  -4.974  -3.088
  100   2HB   ALA  13          2HB       ALA  13   5.838  -4.973  -4.427
  101   3HB   ALA  13          3HB       ALA  13   6.399  -4.596  -2.810
  102    H    TYR  14           H        TYR  14   2.958  -3.820  -3.471
  103    HA   TYR  14           HA       TYR  14   1.745  -2.253  -5.599
  104   1HB   TYR  14          1HB       TYR  14   1.240  -4.070  -7.173
  105   2HB   TYR  14          2HB       TYR  14   2.969  -4.052  -6.896
  106    HD1  TYR  14           HD1      TYR  14   3.924  -5.686  -5.147
  107    HD2  TYR  14           HD2      TYR  14   0.026  -6.071  -6.806
  108    HE1  TYR  14           HE1      TYR  14   3.882  -8.033  -4.490
  109    HE2  TYR  14           HE2      TYR  14  -0.015  -8.423  -6.154
  110    HH   TYR  14           HH       TYR  14   1.209  -9.831  -4.253
  111    H    GLY  15           H        GLY  15  -0.429  -3.721  -6.192
  112   1HA   GLY  15          1HA       GLY  15  -1.669  -4.828  -3.807
  113   2HA   GLY  15          2HA       GLY  15  -2.287  -3.238  -4.234
  114    H    VAL  16           H        VAL  16  -3.745  -5.603  -4.128
  115    HA   VAL  16           HA       VAL  16  -4.705  -5.821  -6.941
  116    HB   VAL  16           HB       VAL  16  -4.595  -8.162  -5.003
  117   1HG1  VAL  16          1HG1      VAL  16  -5.043  -8.021  -8.045
  118   2HG1  VAL  16          2HG1      VAL  16  -5.018  -9.495  -7.089
  119   3HG1  VAL  16          3HG1      VAL  16  -6.302  -8.329  -6.859
  120   1HG2  VAL  16          1HG2      VAL  16  -2.714  -7.509  -7.314
  121   2HG2  VAL  16          2HG2      VAL  16  -2.279  -7.475  -5.616
  122   3HG2  VAL  16          3HG2      VAL  16  -2.693  -8.997  -6.377
  123    H    CYS  17           H        CYS  17  -6.882  -6.061  -7.211
  124    HA   CYS  17           HA       CYS  17  -8.627  -5.898  -4.780
  125   1HB   CYS  17          1HB       CYS  17  -8.093  -3.792  -6.571
  126   2HB   CYS  17          2HB       CYS  17  -9.599  -4.440  -7.156
  127    HA   PRO  18           HA       PRO  18 -11.135  -9.098  -6.335
  128   1HB   PRO  18          1HB       PRO  18 -13.472  -7.385  -6.993
  129   2HB   PRO  18          2HB       PRO  18 -13.366  -8.769  -5.908
  130   1HG   PRO  18          1HG       PRO  18 -13.488  -6.149  -5.054
  131   2HG   PRO  18          2HG       PRO  18 -12.775  -7.449  -4.108
  132   1HD   PRO  18          1HD       PRO  18 -11.434  -5.232  -5.533
  133   2HD   PRO  18          2HD       PRO  18 -10.793  -6.256  -4.232
  134    H    ARG  19           H        ARG  19 -11.646 -10.198  -8.175
  135    HA   ARG  19           HA       ARG  19 -11.581 -10.750 -10.428
  136   1HB   ARG  19          1HB       ARG  19 -12.997  -8.065 -10.364
  137   2HB   ARG  19          2HB       ARG  19 -12.419  -8.579 -11.927
  138   1HG   ARG  19          1HG       ARG  19 -14.720  -9.343 -11.581
  139   2HG   ARG  19          2HG       ARG  19 -13.639 -10.711 -11.718
  140   1HD   ARG  19          1HD       ARG  19 -15.250 -11.064  -9.884
  141   2HD   ARG  19          2HD       ARG  19 -13.631 -10.936  -9.208
  142    HE   ARG  19           HE       ARG  19 -14.698  -8.330  -9.213
  143   1HH1  ARG  19          1HH1      ARG  19 -15.399 -11.428  -7.826
  144   2HH1  ARG  19          2HH1      ARG  19 -16.151 -10.755  -6.419
  145   1HH2  ARG  19          1HH2      ARG  19 -15.648  -7.456  -7.437
  146   2HH2  ARG  19          2HH2      ARG  19 -16.295  -8.475  -6.194
  147    H    SER  20           H        SER  20  -9.341  -9.701  -9.100
  148    HA   SER  20           HA       SER  20  -7.187  -8.971  -9.353
  149   1HB   SER  20          1HB       SER  20  -6.078  -9.833 -11.466
  150   2HB   SER  20          2HB       SER  20  -7.116 -11.042 -10.710
  151    HG   SER  20           HG       SER  20  -7.668  -9.392 -12.932
  152    H    GLU  21           H        GLU  21  -7.289  -6.810  -9.130
  153    HA   GLU  21           HA       GLU  21  -7.309  -5.154 -11.535
  154   1HB   GLU  21          1HB       GLU  21  -7.739  -4.254  -8.662
  155   2HB   GLU  21          2HB       GLU  21  -7.996  -3.280 -10.093
  156   1HG   GLU  21          1HG       GLU  21  -9.598  -5.703  -9.232
  157   2HG   GLU  21          2HG       GLU  21 -10.171  -4.048  -9.275
  158    H    GLU  22           H        GLU  22  -5.635  -3.855 -11.855
  159    HA   GLU  22           HA       GLU  22  -3.476  -2.992 -11.824
  160   1HB   GLU  22          1HB       GLU  22  -4.122  -1.952  -9.681
  161   2HB   GLU  22          2HB       GLU  22  -3.797  -3.424  -8.793
  162   1HG   GLU  22          1HG       GLU  22  -1.413  -3.294  -9.313
  163   2HG   GLU  22          2HG       GLU  22  -1.672  -1.874 -10.315
  164    H    LYS  23           H        LYS  23  -1.361  -3.717 -11.970
  165    HA   LYS  23           HA       LYS  23  -0.903  -6.432 -12.446
  166   1HB   LYS  23          1HB       LYS  23   0.828  -4.026 -12.061
  167   2HB   LYS  23          2HB       LYS  23   1.657  -5.568 -11.931
  168   1HG   LYS  23          1HG       LYS  23   0.597  -6.246 -14.138
  169   2HG   LYS  23          2HG       LYS  23  -0.016  -4.616 -14.290
  170   1HD   LYS  23          1HD       LYS  23   2.920  -5.421 -14.164
  171   2HD   LYS  23          2HD       LYS  23   2.056  -4.931 -15.595
  172   1HE   LYS  23          1HE       LYS  23   3.287  -2.996 -14.909
  173   2HE   LYS  23          2HE       LYS  23   1.626  -2.677 -14.437
  174   1HZ   LYS  23          1HZ       LYS  23   2.958  -4.027 -12.357
  175   2HZ   LYS  23          2HZ       LYS  23   3.875  -2.685 -12.836
  176   3HZ   LYS  23          3HZ       LYS  23   2.259  -2.480 -12.355
  177    H    LYS  24           H        LYS  24   0.232  -8.028 -11.495
  178    HA   LYS  24           HA       LYS  24   0.980  -7.914  -8.648
  179   1HB   LYS  24          1HB       LYS  24  -0.475 -10.314  -8.651
  180   2HB   LYS  24          2HB       LYS  24  -1.085  -8.810  -8.034
  181   1HG   LYS  24          1HG       LYS  24  -2.189  -8.272 -10.155
  182   2HG   LYS  24          2HG       LYS  24  -1.507  -9.695 -10.912
  183   1HD   LYS  24          1HD       LYS  24  -3.289  -9.912  -8.469
  184   2HD   LYS  24          2HD       LYS  24  -3.987  -9.757 -10.065
  185   1HE   LYS  24          1HE       LYS  24  -3.893 -12.121  -9.578
  186   2HE   LYS  24          2HE       LYS  24  -2.619 -11.817 -10.742
  187   1HZ   LYS  24          1HZ       LYS  24  -1.876 -11.601  -7.944
  188   2HZ   LYS  24          2HZ       LYS  24  -2.247 -13.155  -8.517
  189   3HZ   LYS  24          3HZ       LYS  24  -1.018 -12.248  -9.260
  190    H    ASN  25           H        ASN  25   2.632  -7.908 -10.533
  191    HA   ASN  25           HA       ASN  25   4.288 -10.198 -10.281
  192   1HB   ASN  25          1HB       ASN  25   2.365 -10.153 -12.577
  193   2HB   ASN  25          2HB       ASN  25   4.019 -10.379 -13.084
  194   1HD2  ASN  25          2HD2      ASN  25   5.216 -12.099 -11.481
  195   2HD2  ASN  25          1HD2      ASN  25   4.318 -13.519 -11.232
  196    H    ASP  26           H        ASP  26   4.261  -7.372 -10.000
  197    HA   ASP  26           HA       ASP  26   6.741  -6.648 -11.238
  198   1HB   ASP  26          1HB       ASP  26   4.159  -5.753 -12.459
  199   2HB   ASP  26          2HB       ASP  26   5.247  -4.430 -12.101
  200    H    ARG  27           H        ARG  27   7.659  -5.452  -9.768
  201    HA   ARG  27           HA       ARG  27   6.237  -4.539  -7.383
  202   1HB   ARG  27          1HB       ARG  27   8.560  -5.317  -7.101
  203   2HB   ARG  27          2HB       ARG  27   9.136  -4.221  -8.344
  204   1HG   ARG  27          1HG       ARG  27   8.575  -2.260  -6.923
  205   2HG   ARG  27          2HG       ARG  27   7.872  -3.317  -5.719
  206   1HD   ARG  27          1HD       ARG  27  10.304  -4.425  -5.710
  207   2HD   ARG  27          2HD       ARG  27  10.781  -2.906  -6.440
  208    HE   ARG  27           HE       ARG  27   9.991  -3.291  -3.685
  209   1HH1  ARG  27          1HH1      ARG  27   9.990  -1.031  -6.312
  210   2HH1  ARG  27          2HH1      ARG  27   9.931   0.351  -5.271
  211   1HH2  ARG  27          1HH2      ARG  27   9.917  -1.566  -2.351
  212   2HH2  ARG  27          2HH2      ARG  27   9.890   0.045  -2.990
  213    H    ILE  28           H        ILE  28   4.766  -3.159  -8.288
  214    HA   ILE  28           HA       ILE  28   5.329  -1.019 -10.062
  215    HB   ILE  28           HB       ILE  28   3.023  -0.748  -8.181
  216   1HG1  ILE  28          1HG1      ILE  28   3.084  -2.892 -10.420
  217   2HG1  ILE  28          2HG1      ILE  28   3.078  -3.311  -8.732
  218   1HG2  ILE  28          1HG2      ILE  28   3.324   0.772 -10.097
  219   2HG2  ILE  28          2HG2      ILE  28   3.330  -0.601 -11.188
  220   3HG2  ILE  28          3HG2      ILE  28   1.872  -0.166 -10.308
  221   1HD1  ILE  28          1HD1      ILE  28   0.905  -2.274  -8.391
  222   2HD1  ILE  28          2HD1      ILE  28   0.801  -1.900 -10.105
  223   3HD1  ILE  28          3HD1      ILE  28   0.864  -3.567  -9.576
  224    H    CYS  29           H        CYS  29   4.701   1.281  -9.276
  225    HA   CYS  29           HA       CYS  29   6.207   1.941  -6.775
  226   1HB   CYS  29          1HB       CYS  29   7.036   2.482  -9.252
  227   2HB   CYS  29          2HB       CYS  29   5.894   3.781  -9.156
  228    H    THR  30           H        THR  30   4.191   1.638  -5.727
  229    HA   THR  30           HA       THR  30   2.333   3.965  -5.935
  230    HB   THR  30           HB       THR  30   1.270   2.029  -7.112
  231    HG1  THR  30           HG1      THR  30   0.192   2.323  -4.510
  232   1HG2  THR  30          1HG2      THR  30   2.478   0.176  -5.807
  233   2HG2  THR  30          2HG2      THR  30   1.502   0.588  -4.406
  234   3HG2  THR  30          3HG2      THR  30   0.741  -0.045  -5.856
  235    H    ASN  31           H        ASN  31   0.809   3.977  -3.940
  236    HA   ASN  31           HA       ASN  31   2.290   3.153  -1.484
  237   1HB   ASN  31          1HB       ASN  31   1.803   5.435  -0.512
  238   2HB   ASN  31          2HB       ASN  31   2.750   5.565  -1.970
  239   1HD2  ASN  31          2HD2      ASN  31   2.079   7.357  -3.060
  240   2HD2  ASN  31          1HD2      ASN  31   0.464   7.861  -3.176
  241    H    CYS  32           H        CYS  32   0.619   3.786   0.451
  242    HA   CYS  32           HA       CYS  32  -1.481   1.889   0.206
  243   1HB   CYS  32          1HB       CYS  32  -0.499   2.440   2.355
  244   2HB   CYS  32          2HB       CYS  32  -1.072   4.089   2.246
  245    H    CYS  33           H        CYS  33  -1.870   5.437   0.526
  246    HA   CYS  33           HA       CYS  33  -4.691   5.400   0.079
  247   1HB   CYS  33          1HB       CYS  33  -3.632   7.279   1.153
  248   2HB   CYS  33          2HB       CYS  33  -2.648   7.575  -0.259
  249    H    ALA  34           H        ALA  34  -2.121   5.210  -2.148
  250    HA   ALA  34           HA       ALA  34  -3.341   6.324  -4.499
  251   1HB   ALA  34          1HB       ALA  34  -1.368   4.003  -4.262
  252   2HB   ALA  34          2HB       ALA  34  -1.685   4.906  -5.736
  253   3HB   ALA  34          3HB       ALA  34  -0.902   5.692  -4.373
  254    H    GLY  35           H        GLY  35  -3.365   3.271  -2.898
  255   1HA   GLY  35          1HA       GLY  35  -4.864   1.744  -4.712
  256   2HA   GLY  35          2HA       GLY  35  -4.697   1.385  -2.996
  257    H    THR  36           H        THR  36  -7.120   0.766  -3.831
  258    HA   THR  36           HA       THR  36  -8.827   3.012  -2.905
  259    HB   THR  36           HB       THR  36  -9.977   1.046  -4.912
  260    HG1  THR  36           HG1      THR  36  -9.119   2.463  -6.526
  261   1HG2  THR  36          1HG2      THR  36 -11.375   3.002  -3.939
  262   2HG2  THR  36          2HG2      THR  36 -10.205   4.096  -4.653
  263   3HG2  THR  36          3HG2      THR  36 -11.184   3.066  -5.677
  264    H    LYS  37           H        LYS  37 -11.113   2.042  -2.487
  265    HA   LYS  37           HA       LYS  37 -10.973   0.394  -0.186
  266   1HB   LYS  37          1HB       LYS  37 -13.558   0.408  -1.685
  267   2HB   LYS  37          2HB       LYS  37 -13.255   0.662   0.019
  268   1HG   LYS  37          1HG       LYS  37 -12.272   2.953  -0.613
  269   2HG   LYS  37          2HG       LYS  37 -12.864   2.676  -2.239
  270   1HD   LYS  37          1HD       LYS  37 -14.602   2.702   0.260
  271   2HD   LYS  37          2HD       LYS  37 -14.453   4.027  -0.873
  272   1HE   LYS  37          1HE       LYS  37 -15.372   2.569  -2.692
  273   2HE   LYS  37          2HE       LYS  37 -15.560   1.258  -1.533
  274   1HZ   LYS  37          1HZ       LYS  37 -16.842   3.912  -1.310
  275   2HZ   LYS  37          2HZ       LYS  37 -17.598   2.493  -1.856
  276   3HZ   LYS  37          3HZ       LYS  37 -17.049   2.600  -0.252
  277    H    GLY  38           H        GLY  38 -11.306  -1.649   0.266
  278   1HA   GLY  38          1HA       GLY  38 -11.720  -3.939  -0.018
  279   2HA   GLY  38          2HA       GLY  38 -12.232  -3.625  -1.668
  280    H    CYS  39           H        CYS  39  -9.511  -2.158  -2.005
  281    HA   CYS  39           HA       CYS  39  -8.094  -4.494  -3.002
  282   1HB   CYS  39          1HB       CYS  39  -7.048  -1.693  -2.892
  283   2HB   CYS  39          2HB       CYS  39  -6.656  -2.955  -4.011
  284    H    LYS  40           H        LYS  40  -6.180  -5.239  -2.345
  285    HA   LYS  40           HA       LYS  40  -5.190  -4.446   0.359
  286   1HB   LYS  40          1HB       LYS  40  -5.123  -7.108  -1.110
  287   2HB   LYS  40          2HB       LYS  40  -4.131  -6.800   0.295
  288   1HG   LYS  40          1HG       LYS  40  -6.126  -7.990   0.978
  289   2HG   LYS  40          2HG       LYS  40  -6.155  -6.384   1.664
  290   1HD   LYS  40          1HD       LYS  40  -7.800  -5.626   0.053
  291   2HD   LYS  40          2HD       LYS  40  -7.655  -7.097  -0.897
  292   1HE   LYS  40          1HE       LYS  40  -8.662  -6.915   1.982
  293   2HE   LYS  40          2HE       LYS  40  -9.684  -7.105   0.564
  294   1HZ   LYS  40          1HZ       LYS  40  -8.270  -9.159   0.113
  295   2HZ   LYS  40          2HZ       LYS  40  -7.775  -9.019   1.731
  296   3HZ   LYS  40          3HZ       LYS  40  -9.418  -9.238   1.363
  297    H    TYR  41           H        TYR  41  -3.313  -3.428   0.371
  298    HA   TYR  41           HA       TYR  41  -1.453  -3.724  -1.907
  299   1HB   TYR  41          1HB       TYR  41  -2.256  -1.424  -0.120
  300   2HB   TYR  41          2HB       TYR  41  -0.638  -1.438  -0.785
  301    HD1  TYR  41           HD1      TYR  41  -4.213  -1.974  -1.851
  302    HD2  TYR  41           HD2      TYR  41  -0.343  -0.586  -2.984
  303    HE1  TYR  41           HE1      TYR  41  -5.098  -1.235  -4.012
  304    HE2  TYR  41           HE2      TYR  41  -1.248   0.150  -5.138
  305    HH   TYR  41           HH       TYR  41  -3.548  -0.774  -6.573
  306    H    PHE  42           H        PHE  42   0.288  -4.719  -1.549
  307    HA   PHE  42           HA       PHE  42   1.403  -5.065   1.163
  308   1HB   PHE  42          1HB       PHE  42   2.257  -7.224  -0.513
  309   2HB   PHE  42          2HB       PHE  42   1.173  -7.263   0.848
  310    HD1  PHE  42           HD1      PHE  42   1.098  -6.374  -2.790
  311    HD2  PHE  42           HD2      PHE  42  -0.999  -8.027   0.532
  312    HE1  PHE  42           HE1      PHE  42  -0.783  -6.944  -4.247
  313    HE2  PHE  42           HE2      PHE  42  -2.878  -8.601  -0.941
  314    HZ   PHE  42           HZ       PHE  42  -2.769  -8.058  -3.343
  315    H    SER  43           H        SER  43   3.529  -5.436   1.397
  316    HA   SER  43           HA       SER  43   5.319  -3.745  -0.076
  317   1HB   SER  43          1HB       SER  43   5.538  -5.686   2.217
  318   2HB   SER  43          2HB       SER  43   6.925  -4.823   1.615
  319    HG   SER  43           HG       SER  43   6.220  -3.268   2.825
  320    H    ASP  44           H        ASP  44   7.534  -4.869  -0.176
  321    HA   ASP  44           HA       ASP  44   7.348  -6.755  -2.440
  322   1HB   ASP  44          1HB       ASP  44   8.980  -4.565  -1.955
  323   2HB   ASP  44          2HB       ASP  44  10.065  -5.884  -1.560
  324    H    ASP  45           H        ASP  45   8.324  -6.819   0.865
  325    HA   ASP  45           HA       ASP  45   9.893  -9.253   0.726
  326   1HB   ASP  45          1HB       ASP  45   9.858  -9.182   3.151
  327   2HB   ASP  45          2HB       ASP  45   9.978  -7.519   2.607
  328    H    GLY  46           H        GLY  46   6.653  -8.668   0.282
  329   1HA   GLY  46          1HA       GLY  46   4.953 -10.100  -0.182
  330   2HA   GLY  46          2HA       GLY  46   5.936 -11.460   0.399
  331    H    THR  47           H        THR  47   4.435  -8.473   1.621
  332    HA   THR  47           HA       THR  47   3.052  -9.869   3.686
  333    HB   THR  47           HB       THR  47   5.162  -7.742   4.273
  334    HG1  THR  47           HG1      THR  47   6.111  -9.682   4.030
  335   1HG2  THR  47          1HG2      THR  47   3.428  -9.374   6.237
  336   2HG2  THR  47          2HG2      THR  47   4.651  -8.198   6.696
  337   3HG2  THR  47          3HG2      THR  47   3.173  -7.665   5.917
  338    H    PHE  48           H        PHE  48   1.171  -8.975   4.001
  339    HA   PHE  48           HA       PHE  48   0.186  -6.775   2.474
  340   1HB   PHE  48          1HB       PHE  48  -1.328  -8.503   3.174
  341   2HB   PHE  48          2HB       PHE  48  -0.898  -8.301   4.862
  342    HD1  PHE  48           HD1      PHE  48  -2.555  -6.559   1.988
  343    HD2  PHE  48           HD2      PHE  48  -2.030  -6.729   6.216
  344    HE1  PHE  48           HE1      PHE  48  -4.359  -4.921   2.291
  345    HE2  PHE  48           HE2      PHE  48  -3.831  -5.094   6.507
  346    HZ   PHE  48           HZ       PHE  48  -4.998  -4.193   4.554
  347    H    VAL  49           H        VAL  49   0.274  -4.672   2.798
  348    HA   VAL  49           HA       VAL  49   1.233  -3.662   5.444
  349    HB   VAL  49           HB       VAL  49   1.086  -2.173   2.801
  350   1HG1  VAL  49          1HG1      VAL  49   2.572  -1.575   5.405
  351   2HG1  VAL  49          2HG1      VAL  49   2.684  -0.618   3.940
  352   3HG1  VAL  49          3HG1      VAL  49   1.170  -0.699   4.817
  353   1HG2  VAL  49          1HG2      VAL  49   3.402  -3.622   4.106
  354   2HG2  VAL  49          2HG2      VAL  49   2.605  -4.091   2.619
  355   3HG2  VAL  49          3HG2      VAL  49   3.495  -2.583   2.687
  356    H    CYS  50           H        CYS  50  -1.181  -2.709   2.925
  357    HA   CYS  50           HA       CYS  50  -3.063  -2.043   5.095
  358   1HB   CYS  50          1HB       CYS  50  -3.122   0.247   4.868
  359   2HB   CYS  50          2HB       CYS  50  -1.474   0.053   4.320
  360    H    GLU  51           H        GLU  51  -5.165  -1.738   4.353
  361    HA   GLU  51           HA       GLU  51  -5.630  -2.845   1.620
  362   1HB   GLU  51          1HB       GLU  51  -6.926  -4.135   3.200
  363   2HB   GLU  51          2HB       GLU  51  -7.291  -2.733   4.187
  364   1HG   GLU  51          1HG       GLU  51  -8.892  -1.891   2.548
  365   2HG   GLU  51          2HG       GLU  51  -8.399  -3.068   1.354
  366    H    GLY  52           H        GLY  52  -5.930  -1.272   0.164
  367   1HA   GLY  52          1HA       GLY  52  -6.057   1.475   0.603
  368   2HA   GLY  52          2HA       GLY  52  -6.673   0.700  -0.850
  369    H    GLU  53           H        GLU  53  -7.769   2.998   0.337
  370    HA   GLU  53           HA       GLU  53 -10.567   2.242   0.574
  371   1HB   GLU  53          1HB       GLU  53  -9.573   1.939   2.950
  372   2HB   GLU  53          2HB       GLU  53  -9.232   3.659   2.946
  373   1HG   GLU  53          1HG       GLU  53 -11.643   4.168   2.675
  374   2HG   GLU  53          2HG       GLU  53 -12.011   2.455   2.545
  375    H    SER  54           H        SER  54  -9.606   3.340  -1.329
  376    HA   SER  54           HA       SER  54  -9.937   5.082  -2.831
  377   1HB   SER  54          1HB       SER  54 -10.767   6.841  -0.432
  378   2HB   SER  54          2HB       SER  54 -11.016   7.188  -2.138
  379    HG   SER  54           HG       SER  54 -11.986   4.933  -2.106
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -11.352  16.228  -6.640
    2   2H    MET   1          2H        MET   1 -12.919  16.879  -6.583
    3   3H    MET   1          3H        MET   1 -11.734  17.419  -5.492
    4    HA   MET   1           HA       MET   1 -13.125  15.983  -4.290
    5   1HB   MET   1          1HB       MET   1 -13.578  13.649  -5.116
    6   2HB   MET   1          2HB       MET   1 -14.194  14.861  -6.215
    7   1HG   MET   1          1HG       MET   1 -12.224  14.609  -7.657
    8   2HG   MET   1          2HG       MET   1 -11.520  13.455  -6.562
    9   1HE   MET   1          1HE       MET   1 -13.090  11.264  -5.833
   10   2HE   MET   1          2HE       MET   1 -13.167  10.196  -7.219
   11   3HE   MET   1          3HE       MET   1 -11.650  10.998  -6.845
   12    H    LYS   2           H        LYS   2 -10.409  16.725  -4.426
   13    HA   LYS   2           HA       LYS   2  -8.355  16.289  -3.454
   14   1HB   LYS   2          1HB       LYS   2  -9.942  14.073  -2.044
   15   2HB   LYS   2          2HB       LYS   2  -8.309  14.514  -1.640
   16   1HG   LYS   2          1HG       LYS   2  -9.698  15.654  -0.067
   17   2HG   LYS   2          2HG       LYS   2  -9.055  16.860  -1.153
   18   1HD   LYS   2          1HD       LYS   2 -11.400  17.325  -0.694
   19   2HD   LYS   2          2HD       LYS   2 -11.251  16.924  -2.380
   20   1HE   LYS   2          1HE       LYS   2 -12.001  14.547  -1.796
   21   2HE   LYS   2          2HE       LYS   2 -12.199  15.079  -0.135
   22   1HZ   LYS   2          1HZ       LYS   2 -13.587  16.937  -1.431
   23   2HZ   LYS   2          2HZ       LYS   2 -13.825  15.606  -2.459
   24   3HZ   LYS   2          3HZ       LYS   2 -14.258  15.501  -0.821
   25    H    ALA   3           H        ALA   3  -6.670  14.559  -3.072
   26    HA   ALA   3           HA       ALA   3  -6.678  12.154  -4.465
   27   1HB   ALA   3          1HB       ALA   3  -5.223  14.467  -5.863
   28   2HB   ALA   3          2HB       ALA   3  -5.089  12.785  -6.350
   29   3HB   ALA   3          3HB       ALA   3  -6.617  13.626  -6.517
   30    H    CYS   4           H        CYS   4  -4.997  10.921  -3.860
   31    HA   CYS   4           HA       CYS   4  -3.286  11.837  -1.740
   32   1HB   CYS   4          1HB       CYS   4  -3.376   9.301  -3.357
   33   2HB   CYS   4          2HB       CYS   4  -2.325   9.524  -1.996
   34    H    THR   5           H        THR   5  -0.915  11.215  -1.774
   35    HA   THR   5           HA       THR   5   0.446  12.793  -3.725
   36    HB   THR   5           HB       THR   5   1.628  10.793  -1.691
   37    HG1  THR   5           HG1      THR   5   0.672  13.468  -1.514
   38   1HG2  THR   5          1HG2      THR   5   2.569  13.492  -2.754
   39   2HG2  THR   5          2HG2      THR   5   3.458  12.424  -1.667
   40   3HG2  THR   5          3HG2      THR   5   3.172  11.945  -3.338
   41    H    LEU   6           H        LEU   6   0.844  12.173  -5.616
   42    HA   LEU   6           HA       LEU   6   0.423   9.626  -6.771
   43   1HB   LEU   6          1HB       LEU   6   2.283  11.817  -7.788
   44   2HB   LEU   6          2HB       LEU   6   1.537  10.567  -8.763
   45    HG   LEU   6           HG       LEU   6  -0.001  12.724  -7.223
   46   1HD1  LEU   6          1HD1      LEU   6   0.552  12.434 -10.210
   47   2HD1  LEU   6          2HD1      LEU   6  -0.461  13.668  -9.477
   48   3HD1  LEU   6          3HD1      LEU   6   1.263  13.642  -9.152
   49   1HD2  LEU   6          1HD2      LEU   6  -0.988  10.648  -9.237
   50   2HD2  LEU   6          2HD2      LEU   6  -1.328  10.622  -7.514
   51   3HD2  LEU   6          3HD2      LEU   6  -1.968  11.910  -8.511
   52    H    ASN   7           H        ASN   7   3.116  10.759  -4.979
   53    HA   ASN   7           HA       ASN   7   5.167   9.238  -6.037
   54   1HB   ASN   7          1HB       ASN   7   4.725  10.259  -3.210
   55   2HB   ASN   7          2HB       ASN   7   6.249   9.596  -3.776
   56   1HD2  ASN   7          2HD2      ASN   7   7.675  11.155  -4.476
   57   2HD2  ASN   7          1HD2      ASN   7   7.246  12.652  -5.152
   58    H    CYS   8           H        CYS   8   6.243   7.498  -5.060
   59    HA   CYS   8           HA       CYS   8   4.443   5.279  -4.271
   60   1HB   CYS   8          1HB       CYS   8   7.281   4.690  -4.699
   61   2HB   CYS   8          2HB       CYS   8   5.877   3.909  -5.340
   62    H    ASP   9           H        ASP   9   4.432   4.381  -2.321
   63    HA   ASP   9           HA       ASP   9   5.981   5.541  -0.143
   64   1HB   ASP   9          1HB       ASP   9   3.633   4.735   0.152
   65   2HB   ASP   9          2HB       ASP   9   4.149   3.102  -0.212
   66    HA   PRO  10           HA       PRO  10   9.291   2.843  -1.458
   67   1HB   PRO  10          1HB       PRO  10  11.302   3.842   0.148
   68   2HB   PRO  10          2HB       PRO  10  10.673   4.655  -1.276
   69   1HG   PRO  10          1HG       PRO  10  10.173   5.257   1.593
   70   2HG   PRO  10          2HG       PRO  10  10.178   6.343   0.211
   71   1HD   PRO  10          1HD       PRO  10   7.880   5.258   1.484
   72   2HD   PRO  10          2HD       PRO  10   7.920   6.123  -0.063
   73    H    ARG  11           H        ARG  11   7.694   1.454  -0.092
   74    HA   ARG  11           HA       ARG  11   9.194  -0.566   1.260
   75   1HB   ARG  11          1HB       ARG  11   7.690  -0.475   3.305
   76   2HB   ARG  11          2HB       ARG  11   8.890   0.789   3.208
   77   1HG   ARG  11          1HG       ARG  11   7.369   2.483   2.722
   78   2HG   ARG  11          2HG       ARG  11   6.181   1.408   2.013
   79   1HD   ARG  11          1HD       ARG  11   6.882   1.532   4.967
   80   2HD   ARG  11          2HD       ARG  11   5.402   2.155   4.227
   81    HE   ARG  11           HE       ARG  11   5.520  -0.416   3.304
   82   1HH1  ARG  11          1HH1      ARG  11   5.665   1.028   6.459
   83   2HH1  ARG  11          2HH1      ARG  11   4.988  -0.352   7.256
   84   1HH2  ARG  11          1HH2      ARG  11   4.669  -2.178   4.300
   85   2HH2  ARG  11          2HH2      ARG  11   4.406  -2.201   6.013
   86    H    ILE  12           H        ILE  12   6.115   0.830   0.141
   87    HA   ILE  12           HA       ILE  12   4.724  -1.747   0.119
   88    HB   ILE  12           HB       ILE  12   3.987   1.000  -0.905
   89   1HG1  ILE  12          1HG1      ILE  12   3.063  -0.791   1.391
   90   2HG1  ILE  12          2HG1      ILE  12   4.067   0.630   1.565
   91   1HG2  ILE  12          1HG2      ILE  12   2.304  -1.572  -0.932
   92   2HG2  ILE  12          2HG2      ILE  12   1.720   0.023  -1.377
   93   3HG2  ILE  12          3HG2      ILE  12   2.917  -0.766  -2.366
   94   1HD1  ILE  12          1HD1      ILE  12   2.197   2.002   0.647
   95   2HD1  ILE  12          2HD1      ILE  12   1.203   0.550   0.567
   96   3HD1  ILE  12          3HD1      ILE  12   1.757   1.142   2.124
   97    H    ALA  13           H        ALA  13   4.323  -2.939  -1.733
   98    HA   ALA  13           HA       ALA  13   6.072  -2.386  -4.086
   99   1HB   ALA  13          1HB       ALA  13   4.673  -4.936  -3.199
  100   2HB   ALA  13          2HB       ALA  13   5.735  -4.796  -4.585
  101   3HB   ALA  13          3HB       ALA  13   6.369  -4.523  -2.982
  102    H    TYR  14           H        TYR  14   2.881  -3.791  -3.465
  103    HA   TYR  14           HA       TYR  14   1.551  -2.025  -5.363
  104   1HB   TYR  14          1HB       TYR  14   0.914  -3.745  -7.029
  105   2HB   TYR  14          2HB       TYR  14   2.649  -3.584  -6.985
  106    HD1  TYR  14           HD1      TYR  14   3.904  -5.313  -5.396
  107    HD2  TYR  14           HD2      TYR  14  -0.045  -5.884  -6.857
  108    HE1  TYR  14           HE1      TYR  14   4.105  -7.708  -4.979
  109    HE2  TYR  14           HE2      TYR  14   0.159  -8.288  -6.440
  110    HH   TYR  14           HH       TYR  14   1.634  -9.742  -4.752
  111    H    GLY  15           H        GLY  15  -0.688  -3.387  -5.922
  112   1HA   GLY  15          1HA       GLY  15  -1.577  -4.848  -3.571
  113   2HA   GLY  15          2HA       GLY  15  -2.329  -3.260  -3.737
  114    H    VAL  16           H        VAL  16  -3.603  -5.744  -3.720
  115    HA   VAL  16           HA       VAL  16  -4.580  -6.035  -6.539
  116    HB   VAL  16           HB       VAL  16  -4.552  -7.943  -4.182
  117   1HG1  VAL  16          1HG1      VAL  16  -6.090  -8.253  -6.797
  118   2HG1  VAL  16          2HG1      VAL  16  -5.849  -9.538  -5.621
  119   3HG1  VAL  16          3HG1      VAL  16  -6.815  -8.139  -5.209
  120   1HG2  VAL  16          1HG2      VAL  16  -2.544  -7.818  -5.699
  121   2HG2  VAL  16          2HG2      VAL  16  -3.354  -9.367  -5.858
  122   3HG2  VAL  16          3HG2      VAL  16  -3.576  -8.128  -7.082
  123    H    CYS  17           H        CYS  17  -6.301  -4.969  -6.974
  124    HA   CYS  17           HA       CYS  17  -8.361  -4.438  -4.890
  125   1HB   CYS  17          1HB       CYS  17  -7.900  -3.094  -7.559
  126   2HB   CYS  17          2HB       CYS  17  -9.086  -2.613  -6.385
  127    HA   PRO  18           HA       PRO  18 -11.090  -7.230  -6.839
  128   1HB   PRO  18          1HB       PRO  18 -13.545  -5.865  -6.490
  129   2HB   PRO  18          2HB       PRO  18 -12.792  -6.986  -5.367
  130   1HG   PRO  18          1HG       PRO  18 -12.974  -4.057  -5.206
  131   2HG   PRO  18          2HG       PRO  18 -12.580  -5.210  -3.940
  132   1HD   PRO  18          1HD       PRO  18 -10.752  -3.489  -5.292
  133   2HD   PRO  18          2HD       PRO  18 -10.336  -4.810  -4.184
  134    H    ARG  19           H        ARG  19 -11.566  -7.679  -8.833
  135    HA   ARG  19           HA       ARG  19 -11.761  -7.485 -11.108
  136   1HB   ARG  19          1HB       ARG  19 -13.990  -5.936  -9.820
  137   2HB   ARG  19          2HB       ARG  19 -13.831  -5.639 -11.528
  138   1HG   ARG  19          1HG       ARG  19 -14.084  -8.406 -10.290
  139   2HG   ARG  19          2HG       ARG  19 -15.415  -7.502 -10.976
  140   1HD   ARG  19          1HD       ARG  19 -12.946  -8.483 -12.504
  141   2HD   ARG  19          2HD       ARG  19 -14.580  -9.097 -12.663
  142    HE   ARG  19           HE       ARG  19 -13.532  -6.658 -13.851
  143   1HH1  ARG  19          1HH1      ARG  19 -16.384  -8.263 -12.698
  144   2HH1  ARG  19          2HH1      ARG  19 -17.445  -7.331 -13.700
  145   1HH2  ARG  19          1HH2      ARG  19 -14.855  -5.475 -15.122
  146   2HH2  ARG  19          2HH2      ARG  19 -16.569  -5.729 -15.093
  147    H    SER  20           H        SER  20  -9.728  -5.792 -10.099
  148    HA   SER  20           HA       SER  20  -9.812  -3.457 -11.968
  149   1HB   SER  20          1HB       SER  20  -7.887  -2.600 -10.581
  150   2HB   SER  20          2HB       SER  20  -9.267  -2.997  -9.547
  151    HG   SER  20           HG       SER  20  -8.202  -5.216  -9.613
  152    H    GLU  21           H        GLU  21  -9.669  -5.569 -13.318
  153    HA   GLU  21           HA       GLU  21  -8.598  -6.639 -15.056
  154   1HB   GLU  21          1HB       GLU  21  -6.247  -4.780 -14.499
  155   2HB   GLU  21          2HB       GLU  21  -6.519  -5.727 -15.944
  156   1HG   GLU  21          1HG       GLU  21  -8.567  -4.448 -16.458
  157   2HG   GLU  21          2HG       GLU  21  -8.347  -3.488 -15.000
  158    H    GLU  22           H        GLU  22  -7.127  -6.695 -11.968
  159    HA   GLU  22           HA       GLU  22  -5.649  -8.154 -10.950
  160   1HB   GLU  22          1HB       GLU  22  -7.582  -9.636 -12.330
  161   2HB   GLU  22          2HB       GLU  22  -6.119 -10.340 -12.971
  162   1HG   GLU  22          1HG       GLU  22  -6.999 -11.505 -10.908
  163   2HG   GLU  22          2HG       GLU  22  -5.349 -10.938 -10.736
  164    H    LYS  23           H        LYS  23  -4.550  -6.404 -12.527
  165    HA   LYS  23           HA       LYS  23  -2.388  -7.682 -14.045
  166   1HB   LYS  23          1HB       LYS  23  -3.797  -5.037 -14.106
  167   2HB   LYS  23          2HB       LYS  23  -2.095  -5.010 -14.517
  168   1HG   LYS  23          1HG       LYS  23  -2.397  -6.582 -16.328
  169   2HG   LYS  23          2HG       LYS  23  -4.032  -6.956 -15.818
  170   1HD   LYS  23          1HD       LYS  23  -4.150  -5.447 -17.732
  171   2HD   LYS  23          2HD       LYS  23  -4.708  -4.601 -16.306
  172   1HE   LYS  23          1HE       LYS  23  -2.498  -3.486 -16.075
  173   2HE   LYS  23          2HE       LYS  23  -1.948  -4.308 -17.532
  174   1HZ   LYS  23          1HZ       LYS  23  -4.363  -2.602 -17.445
  175   2HZ   LYS  23          2HZ       LYS  23  -2.818  -2.011 -17.839
  176   3HZ   LYS  23          3HZ       LYS  23  -3.551  -3.193 -18.815
  177    H    LYS  24           H        LYS  24  -3.080  -6.367 -11.072
  178    HA   LYS  24           HA       LYS  24  -0.492  -5.173 -10.437
  179   1HB   LYS  24          1HB       LYS  24  -2.576  -6.081  -8.395
  180   2HB   LYS  24          2HB       LYS  24  -1.418  -4.788  -8.271
  181   1HG   LYS  24          1HG       LYS  24  -2.888  -3.290  -9.094
  182   2HG   LYS  24          2HG       LYS  24  -3.070  -4.182 -10.582
  183   1HD   LYS  24          1HD       LYS  24  -4.657  -4.627  -8.008
  184   2HD   LYS  24          2HD       LYS  24  -5.243  -3.902  -9.480
  185   1HE   LYS  24          1HE       LYS  24  -5.083  -5.957 -10.712
  186   2HE   LYS  24          2HE       LYS  24  -4.220  -6.782  -9.426
  187   1HZ   LYS  24          1HZ       LYS  24  -6.529  -5.855  -8.276
  188   2HZ   LYS  24          2HZ       LYS  24  -6.996  -6.458  -9.794
  189   3HZ   LYS  24          3HZ       LYS  24  -6.160  -7.456  -8.704
  190    H    ASN  25           H        ASN  25   0.754  -7.053 -11.179
  191    HA   ASN  25           HA       ASN  25   1.229  -8.953  -9.011
  192   1HB   ASN  25          1HB       ASN  25   1.264 -10.092 -11.797
  193   2HB   ASN  25          2HB       ASN  25   0.825 -10.824 -10.271
  194   1HD2  ASN  25          2HD2      ASN  25  -1.388 -10.236  -9.384
  195   2HD2  ASN  25          1HD2      ASN  25  -2.619  -9.858 -10.490
  196    H    ASP  26           H        ASP  26   2.638  -6.583 -10.177
  197    HA   ASP  26           HA       ASP  26   5.267  -7.873 -10.347
  198   1HB   ASP  26          1HB       ASP  26   3.847  -7.254 -12.742
  199   2HB   ASP  26          2HB       ASP  26   5.046  -5.990 -12.632
  200    H    ARG  27           H        ARG  27   4.340  -6.350  -8.409
  201    HA   ARG  27           HA       ARG  27   4.532  -4.356  -7.190
  202   1HB   ARG  27          1HB       ARG  27   6.337  -5.681  -6.475
  203   2HB   ARG  27          2HB       ARG  27   7.227  -5.420  -7.942
  204   1HG   ARG  27          1HG       ARG  27   6.755  -2.866  -6.506
  205   2HG   ARG  27          2HG       ARG  27   7.530  -4.039  -5.481
  206   1HD   ARG  27          1HD       ARG  27   8.605  -3.165  -8.201
  207   2HD   ARG  27          2HD       ARG  27   9.205  -2.674  -6.635
  208    HE   ARG  27           HE       ARG  27   9.972  -4.926  -6.213
  209   1HH1  ARG  27          1HH1      ARG  27   8.727  -4.428  -9.431
  210   2HH1  ARG  27          2HH1      ARG  27   9.521  -5.832 -10.050
  211   1HH2  ARG  27          1HH2      ARG  27  10.956  -6.690  -6.997
  212   2HH2  ARG  27          2HH2      ARG  27  10.791  -7.130  -8.665
  213    H    ILE  28           H        ILE  28   3.625  -2.577  -8.158
  214    HA   ILE  28           HA       ILE  28   4.997  -1.059 -10.167
  215    HB   ILE  28           HB       ILE  28   2.497  -0.527  -8.606
  216   1HG1  ILE  28          1HG1      ILE  28   1.343  -1.352 -10.924
  217   2HG1  ILE  28          2HG1      ILE  28   2.893  -2.105 -11.201
  218   1HG2  ILE  28          1HG2      ILE  28   3.303   0.691 -11.191
  219   2HG2  ILE  28          2HG2      ILE  28   1.664   0.734 -10.544
  220   3HG2  ILE  28          3HG2      ILE  28   2.938   1.495  -9.654
  221   1HD1  ILE  28          1HD1      ILE  28   1.072  -2.673  -8.851
  222   2HD1  ILE  28          2HD1      ILE  28   1.217  -3.664 -10.288
  223   3HD1  ILE  28          3HD1      ILE  28   2.567  -3.539  -9.195
  224    H    CYS  29           H        CYS  29   4.516   1.444  -9.363
  225    HA   CYS  29           HA       CYS  29   6.077   1.873  -6.833
  226   1HB   CYS  29          1HB       CYS  29   7.050   2.472  -9.216
  227   2HB   CYS  29          2HB       CYS  29   5.929   3.797  -9.190
  228    H    THR  30           H        THR  30   4.370   2.135  -5.477
  229    HA   THR  30           HA       THR  30   2.671   4.493  -5.781
  230    HB   THR  30           HB       THR  30   1.386   2.824  -7.131
  231    HG1  THR  30           HG1      THR  30   0.446   4.232  -5.336
  232   1HG2  THR  30          1HG2      THR  30   2.294   0.727  -6.004
  233   2HG2  THR  30          2HG2      THR  30   1.345   1.120  -4.578
  234   3HG2  THR  30          3HG2      THR  30   0.546   0.750  -6.099
  235    H    ASN  31           H        ASN  31   1.066   4.575  -3.940
  236    HA   ASN  31           HA       ASN  31   2.257   3.578  -1.391
  237   1HB   ASN  31          1HB       ASN  31   1.588   5.803  -0.394
  238   2HB   ASN  31          2HB       ASN  31   2.793   6.000  -1.644
  239   1HD2  ASN  31          2HD2      ASN  31   0.290   7.591  -0.567
  240   2HD2  ASN  31          1HD2      ASN  31  -0.326   8.192  -2.028
  241    H    CYS  32           H        CYS  32   0.767   3.508   0.397
  242    HA   CYS  32           HA       CYS  32  -1.589   2.062  -0.153
  243   1HB   CYS  32          1HB       CYS  32  -0.533   1.881   2.010
  244   2HB   CYS  32          2HB       CYS  32  -0.748   3.585   2.329
  245    H    CYS  33           H        CYS  33  -1.288   5.501   0.685
  246    HA   CYS  33           HA       CYS  33  -4.045   6.125   0.858
  247   1HB   CYS  33          1HB       CYS  33  -2.134   7.624   1.461
  248   2HB   CYS  33          2HB       CYS  33  -1.815   7.869  -0.230
  249    H    ALA  34           H        ALA  34  -1.872   6.285  -1.948
  250    HA   ALA  34           HA       ALA  34  -3.782   7.122  -3.878
  251   1HB   ALA  34          1HB       ALA  34  -1.348   5.323  -4.265
  252   2HB   ALA  34          2HB       ALA  34  -2.207   6.150  -5.555
  253   3HB   ALA  34          3HB       ALA  34  -1.359   7.082  -4.336
  254    H    GLY  35           H        GLY  35  -2.979   3.946  -2.628
  255   1HA   GLY  35          1HA       GLY  35  -4.356   2.327  -4.404
  256   2HA   GLY  35          2HA       GLY  35  -4.062   1.921  -2.712
  257    H    THR  36           H        THR  36  -6.519   1.257  -4.080
  258    HA   THR  36           HA       THR  36  -8.468   3.209  -3.046
  259    HB   THR  36           HB       THR  36  -9.461   0.741  -4.390
  260    HG1  THR  36           HG1      THR  36  -7.577   1.365  -5.582
  261   1HG2  THR  36          1HG2      THR  36 -10.964   2.737  -3.855
  262   2HG2  THR  36          2HG2      THR  36  -9.955   3.715  -4.910
  263   3HG2  THR  36          3HG2      THR  36 -10.881   2.382  -5.569
  264    H    LYS  37           H        LYS  37 -10.528   2.142  -2.166
  265    HA   LYS  37           HA       LYS  37  -9.800   0.621   0.244
  266   1HB   LYS  37          1HB       LYS  37 -11.442   2.228   0.769
  267   2HB   LYS  37          2HB       LYS  37 -12.195   2.124  -0.802
  268   1HG   LYS  37          1HG       LYS  37 -13.770   1.255   0.785
  269   2HG   LYS  37          2HG       LYS  37 -13.193  -0.121  -0.124
  270   1HD   LYS  37          1HD       LYS  37 -11.475  -0.489   1.798
  271   2HD   LYS  37          2HD       LYS  37 -12.327   0.767   2.663
  272   1HE   LYS  37          1HE       LYS  37 -14.424  -0.537   2.571
  273   2HE   LYS  37          2HE       LYS  37 -13.611  -1.798   1.651
  274   1HZ   LYS  37          1HZ       LYS  37 -12.093  -1.273   3.929
  275   2HZ   LYS  37          2HZ       LYS  37 -13.710  -1.465   4.413
  276   3HZ   LYS  37          3HZ       LYS  37 -12.937  -2.686   3.521
  277    H    GLY  38           H        GLY  38 -10.538  -1.515   0.658
  278   1HA   GLY  38          1HA       GLY  38 -11.585  -3.597   0.156
  279   2HA   GLY  38          2HA       GLY  38 -11.938  -3.018  -1.469
  280    H    CYS  39           H        CYS  39  -9.163  -1.991  -1.652
  281    HA   CYS  39           HA       CYS  39  -7.903  -4.171  -2.983
  282   1HB   CYS  39          1HB       CYS  39  -6.689  -1.592  -1.994
  283   2HB   CYS  39          2HB       CYS  39  -6.048  -2.629  -3.232
  284    H    LYS  40           H        LYS  40  -5.526  -4.540  -2.540
  285    HA   LYS  40           HA       LYS  40  -4.948  -4.956   0.351
  286   1HB   LYS  40          1HB       LYS  40  -4.797  -7.144  -1.791
  287   2HB   LYS  40          2HB       LYS  40  -4.217  -7.305  -0.143
  288   1HG   LYS  40          1HG       LYS  40  -6.560  -6.899   0.691
  289   2HG   LYS  40          2HG       LYS  40  -7.112  -6.778  -0.967
  290   1HD   LYS  40          1HD       LYS  40  -7.592  -9.019  -0.179
  291   2HD   LYS  40          2HD       LYS  40  -6.332  -9.119  -1.391
  292   1HE   LYS  40          1HE       LYS  40  -4.606  -9.310   0.401
  293   2HE   LYS  40          2HE       LYS  40  -5.858  -9.150   1.626
  294   1HZ   LYS  40          1HZ       LYS  40  -6.883 -11.158   0.775
  295   2HZ   LYS  40          2HZ       LYS  40  -5.661 -11.305  -0.395
  296   3HZ   LYS  40          3HZ       LYS  40  -5.278 -11.439   1.254
  297    H    TYR  41           H        TYR  41  -3.422  -3.266   0.097
  298    HA   TYR  41           HA       TYR  41  -1.300  -3.552  -1.871
  299   1HB   TYR  41          1HB       TYR  41  -2.178  -1.440   0.092
  300   2HB   TYR  41          2HB       TYR  41  -0.570  -1.356  -0.606
  301    HD1  TYR  41           HD1      TYR  41  -4.198  -1.439  -1.433
  302    HD2  TYR  41           HD2      TYR  41  -0.260  -0.838  -2.944
  303    HE1  TYR  41           HE1      TYR  41  -5.123  -0.571  -3.531
  304    HE2  TYR  41           HE2      TYR  41  -1.197   0.020  -5.036
  305    HH   TYR  41           HH       TYR  41  -4.667   0.494  -5.446
  306    H    PHE  42           H        PHE  42   0.265  -4.841  -1.520
  307    HA   PHE  42           HA       PHE  42   1.435  -5.159   1.182
  308   1HB   PHE  42          1HB       PHE  42   2.305  -7.312  -0.449
  309   2HB   PHE  42          2HB       PHE  42   1.150  -7.360   0.849
  310    HD1  PHE  42           HD1      PHE  42   1.213  -6.398  -2.789
  311    HD2  PHE  42           HD2      PHE  42  -0.933  -8.242   0.404
  312    HE1  PHE  42           HE1      PHE  42  -0.575  -7.048  -4.343
  313    HE2  PHE  42           HE2      PHE  42  -2.702  -8.891  -1.161
  314    HZ   PHE  42           HZ       PHE  42  -2.519  -8.289  -3.536
  315    H    SER  43           H        SER  43   3.572  -5.369   1.424
  316    HA   SER  43           HA       SER  43   5.279  -3.671  -0.063
  317   1HB   SER  43          1HB       SER  43   5.796  -5.746   2.085
  318   2HB   SER  43          2HB       SER  43   6.964  -4.588   1.519
  319    HG   SER  43           HG       SER  43   5.536  -2.917   2.047
  320    H    ASP  44           H        ASP  44   7.538  -4.573  -0.342
  321    HA   ASP  44           HA       ASP  44   7.495  -6.282  -2.722
  322   1HB   ASP  44          1HB       ASP  44   9.147  -4.206  -1.799
  323   2HB   ASP  44          2HB       ASP  44  10.164  -5.613  -1.578
  324    H    ASP  45           H        ASP  45   8.328  -6.530   0.601
  325    HA   ASP  45           HA       ASP  45   9.773  -9.016   0.527
  326   1HB   ASP  45          1HB       ASP  45   9.944  -7.432   2.422
  327   2HB   ASP  45          2HB       ASP  45   8.236  -7.620   2.769
  328    H    GLY  46           H        GLY  46   6.518  -8.294  -0.009
  329   1HA   GLY  46          1HA       GLY  46   4.757  -9.643  -0.505
  330   2HA   GLY  46          2HA       GLY  46   5.762 -11.066  -0.137
  331    H    THR  47           H        THR  47   4.339  -8.242   1.427
  332    HA   THR  47           HA       THR  47   3.104  -9.794   3.477
  333    HB   THR  47           HB       THR  47   5.270  -7.706   4.048
  334    HG1  THR  47           HG1      THR  47   6.423  -9.418   4.596
  335   1HG2  THR  47          1HG2      THR  47   3.619  -9.395   6.038
  336   2HG2  THR  47          2HG2      THR  47   4.878  -8.251   6.476
  337   3HG2  THR  47          3HG2      THR  47   3.364  -7.673   5.805
  338    H    PHE  48           H        PHE  48   1.193  -9.001   3.734
  339    HA   PHE  48           HA       PHE  48   0.111  -6.755   2.434
  340   1HB   PHE  48          1HB       PHE  48  -1.245  -8.635   3.200
  341   2HB   PHE  48          2HB       PHE  48  -0.882  -8.268   4.874
  342    HD1  PHE  48           HD1      PHE  48  -1.739  -6.113   5.876
  343    HD2  PHE  48           HD2      PHE  48  -3.021  -7.452   2.034
  344    HE1  PHE  48           HE1      PHE  48  -3.659  -4.603   5.994
  345    HE2  PHE  48           HE2      PHE  48  -4.949  -5.937   2.170
  346    HZ   PHE  48           HZ       PHE  48  -5.265  -4.506   4.146
  347    H    VAL  49           H        VAL  49   0.227  -4.714   2.757
  348    HA   VAL  49           HA       VAL  49   1.117  -3.616   5.389
  349    HB   VAL  49           HB       VAL  49   0.950  -2.213   2.689
  350   1HG1  VAL  49          1HG1      VAL  49   2.288  -1.392   5.299
  351   2HG1  VAL  49          2HG1      VAL  49   2.410  -0.516   3.782
  352   3HG1  VAL  49          3HG1      VAL  49   0.866  -0.643   4.600
  353   1HG2  VAL  49          1HG2      VAL  49   3.319  -3.472   4.102
  354   2HG2  VAL  49          2HG2      VAL  49   2.578  -4.045   2.623
  355   3HG2  VAL  49          3HG2      VAL  49   3.397  -2.496   2.638
  356    H    CYS  50           H        CYS  50  -1.364  -2.959   2.841
  357    HA   CYS  50           HA       CYS  50  -3.340  -2.309   4.893
  358   1HB   CYS  50          1HB       CYS  50  -3.421  -0.014   4.671
  359   2HB   CYS  50          2HB       CYS  50  -1.740  -0.178   4.243
  360    H    GLU  51           H        GLU  51  -5.196  -1.191   3.581
  361    HA   GLU  51           HA       GLU  51  -5.663  -2.833   1.127
  362   1HB   GLU  51          1HB       GLU  51  -7.169  -3.711   2.790
  363   2HB   GLU  51          2HB       GLU  51  -7.387  -2.161   3.564
  364   1HG   GLU  51          1HG       GLU  51  -9.045  -1.467   2.088
  365   2HG   GLU  51          2HG       GLU  51  -8.524  -2.483   0.771
  366    H    GLY  52           H        GLY  52  -4.366  -0.762   0.626
  367   1HA   GLY  52          1HA       GLY  52  -4.229   1.347  -0.378
  368   2HA   GLY  52          2HA       GLY  52  -5.748   0.898  -1.131
  369    H    GLU  53           H        GLU  53  -7.072   2.563  -0.884
  370    HA   GLU  53           HA       GLU  53  -8.675   3.421   0.977
  371   1HB   GLU  53          1HB       GLU  53  -6.933   3.833   2.725
  372   2HB   GLU  53          2HB       GLU  53  -6.028   4.875   1.639
  373   1HG   GLU  53          1HG       GLU  53  -7.437   6.035   3.428
  374   2HG   GLU  53          2HG       GLU  53  -7.786   6.601   1.816
  375    H    SER  54           H        SER  54  -9.296   3.681  -1.231
  376    HA   SER  54           HA       SER  54  -9.902   4.877  -3.111
  377   1HB   SER  54          1HB       SER  54 -10.545   7.279  -2.643
  378   2HB   SER  54          2HB       SER  54 -11.122   6.168  -1.402
  379    HG   SER  54           HG       SER  54  -9.483   6.785  -0.079
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -11.081  12.941   1.752
    2   2H    MET   1          2H        MET   1 -10.455  11.859   2.902
    3   3H    MET   1          3H        MET   1  -9.796  13.417   2.755
    4    HA   MET   1           HA       MET   1  -8.327  11.883   1.748
    5   1HB   MET   1          1HB       MET   1 -10.736  10.550   1.003
    6   2HB   MET   1          2HB       MET   1 -10.024  11.048  -0.515
    7   1HG   MET   1          1HG       MET   1  -8.654   9.468   1.676
    8   2HG   MET   1          2HG       MET   1  -9.229   8.826   0.164
    9   1HE   MET   1          1HE       MET   1  -8.170   8.697  -1.860
   10   2HE   MET   1          2HE       MET   1  -8.082  10.420  -2.279
   11   3HE   MET   1          3HE       MET   1  -6.649   9.394  -2.352
   12    H    LYS   2           H        LYS   2  -7.167  12.347  -0.090
   13    HA   LYS   2           HA       LYS   2  -8.124  14.486  -1.912
   14   1HB   LYS   2          1HB       LYS   2  -6.919  15.513   0.032
   15   2HB   LYS   2          2HB       LYS   2  -5.488  14.572  -0.358
   16   1HG   LYS   2          1HG       LYS   2  -5.493  15.662  -2.662
   17   2HG   LYS   2          2HG       LYS   2  -6.814  16.678  -2.128
   18   1HD   LYS   2          1HD       LYS   2  -4.033  16.594  -0.880
   19   2HD   LYS   2          2HD       LYS   2  -4.607  17.824  -1.981
   20   1HE   LYS   2          1HE       LYS   2  -4.822  18.767   0.216
   21   2HE   LYS   2          2HE       LYS   2  -6.454  18.338  -0.267
   22   1HZ   LYS   2          1HZ       LYS   2  -5.129  16.188   1.050
   23   2HZ   LYS   2          2HZ       LYS   2  -5.190  17.585   2.014
   24   3HZ   LYS   2          3HZ       LYS   2  -6.623  16.921   1.392
   25    H    ALA   3           H        ALA   3  -7.213  14.345  -3.926
   26    HA   ALA   3           HA       ALA   3  -6.528  11.988  -5.050
   27   1HB   ALA   3          1HB       ALA   3  -5.575  14.746  -5.895
   28   2HB   ALA   3          2HB       ALA   3  -5.578  13.331  -6.939
   29   3HB   ALA   3          3HB       ALA   3  -7.095  13.984  -6.340
   30    H    CYS   4           H        CYS   4  -5.018  10.635  -4.273
   31    HA   CYS   4           HA       CYS   4  -2.429  11.456  -3.298
   32   1HB   CYS   4          1HB       CYS   4  -3.497   8.739  -4.041
   33   2HB   CYS   4          2HB       CYS   4  -2.036   9.036  -3.163
   34    H    THR   5           H        THR   5  -0.428  10.456  -4.110
   35    HA   THR   5           HA       THR   5  -0.131  10.895  -6.980
   36    HB   THR   5           HB       THR   5   1.916  10.248  -4.752
   37    HG1  THR   5           HG1      THR   5   0.677  12.164  -4.469
   38   1HG2  THR   5          1HG2      THR   5   2.176  11.638  -7.450
   39   2HG2  THR   5          2HG2      THR   5   3.483  11.285  -6.315
   40   3HG2  THR   5          3HG2      THR   5   2.661   9.970  -7.156
   41    H    LEU   6           H        LEU   6  -0.440   9.290  -8.254
   42    HA   LEU   6           HA       LEU   6  -0.873   6.579  -7.523
   43   1HB   LEU   6          1HB       LEU   6  -0.086   7.672 -10.253
   44   2HB   LEU   6          2HB       LEU   6  -0.930   6.166  -9.951
   45    HG   LEU   6           HG       LEU   6  -2.020   8.941  -9.244
   46   1HD1  LEU   6          1HD1      LEU   6  -1.925   8.550 -11.697
   47   2HD1  LEU   6          2HD1      LEU   6  -2.783   7.030 -11.500
   48   3HD1  LEU   6          3HD1      LEU   6  -3.588   8.547 -11.135
   49   1HD2  LEU   6          1HD2      LEU   6  -3.375   6.199  -9.159
   50   2HD2  LEU   6          2HD2      LEU   6  -2.918   7.145  -7.751
   51   3HD2  LEU   6          3HD2      LEU   6  -4.159   7.736  -8.833
   52    H    ASN   7           H        ASN   7   2.067   8.153  -7.660
   53    HA   ASN   7           HA       ASN   7   3.766   6.280  -8.776
   54   1HB   ASN   7          1HB       ASN   7   4.247   8.364  -6.618
   55   2HB   ASN   7          2HB       ASN   7   5.543   7.484  -7.408
   56   1HD2  ASN   7          2HD2      ASN   7   6.394   9.440  -8.354
   57   2HD2  ASN   7          1HD2      ASN   7   5.614  10.220  -9.644
   58    H    CYS   8           H        CYS   8   5.582   5.356  -7.444
   59    HA   CYS   8           HA       CYS   8   4.687   3.113  -5.923
   60   1HB   CYS   8          1HB       CYS   8   7.323   4.399  -6.361
   61   2HB   CYS   8          2HB       CYS   8   7.205   3.193  -5.160
   62    H    ASP   9           H        ASP   9   4.919   2.665  -3.831
   63    HA   ASP   9           HA       ASP   9   4.997   4.960  -1.896
   64   1HB   ASP   9          1HB       ASP   9   3.044   3.396  -1.829
   65   2HB   ASP   9          2HB       ASP   9   4.131   2.119  -1.353
   66    HA   PRO  10           HA       PRO  10   9.186   3.758  -1.153
   67   1HB   PRO  10          1HB       PRO  10   9.008   4.653   1.650
   68   2HB   PRO  10          2HB       PRO  10   9.987   5.271   0.327
   69   1HG   PRO  10          1HG       PRO  10   7.713   6.521   1.363
   70   2HG   PRO  10          2HG       PRO  10   8.449   6.875  -0.190
   71   1HD   PRO  10          1HD       PRO  10   5.921   5.475   0.352
   72   2HD   PRO  10          2HD       PRO  10   6.531   6.142  -1.172
   73    H    ARG  11           H        ARG  11   6.686   2.187   0.506
   74    HA   ARG  11           HA       ARG  11   8.609   0.081   1.393
   75   1HB   ARG  11          1HB       ARG  11   7.593  -0.115   3.522
   76   2HB   ARG  11          2HB       ARG  11   7.834   1.595   3.273
   77   1HG   ARG  11          1HG       ARG  11   5.296   1.280   2.223
   78   2HG   ARG  11          2HG       ARG  11   5.298   0.007   3.417
   79   1HD   ARG  11          1HD       ARG  11   4.437   1.928   4.512
   80   2HD   ARG  11          2HD       ARG  11   6.080   1.797   5.117
   81    HE   ARG  11           HE       ARG  11   5.091   3.743   3.082
   82   1HH1  ARG  11          1HH1      ARG  11   7.681   2.643   5.139
   83   2HH1  ARG  11          2HH1      ARG  11   8.600   4.088   4.896
   84   1HH2  ARG  11          1HH2      ARG  11   6.245   5.539   2.782
   85   2HH2  ARG  11          2HH2      ARG  11   7.785   5.744   3.549
   86    H    ILE  12           H        ILE  12   5.894   0.750  -0.479
   87    HA   ILE  12           HA       ILE  12   4.734  -1.976  -0.087
   88    HB   ILE  12           HB       ILE  12   3.646   0.304  -1.660
   89   1HG1  ILE  12          1HG1      ILE  12   3.037  -0.737   1.159
   90   2HG1  ILE  12          2HG1      ILE  12   3.855   0.770   0.815
   91   1HG2  ILE  12          1HG2      ILE  12   2.414  -2.337  -0.707
   92   2HG2  ILE  12          2HG2      ILE  12   1.546  -1.081  -1.564
   93   3HG2  ILE  12          3HG2      ILE  12   2.808  -1.951  -2.375
   94   1HD1  ILE  12          1HD1      ILE  12   1.870   1.584  -0.355
   95   2HD1  ILE  12          2HD1      ILE  12   1.026   0.091   0.058
   96   3HD1  ILE  12          3HD1      ILE  12   1.551   1.180   1.333
   97    H    ALA  13           H        ALA  13   4.454  -3.335  -1.861
   98    HA   ALA  13           HA       ALA  13   6.348  -2.972  -4.125
   99   1HB   ALA  13          1HB       ALA  13   4.676  -5.392  -3.279
  100   2HB   ALA  13          2HB       ALA  13   5.872  -5.378  -4.561
  101   3HB   ALA  13          3HB       ALA  13   6.371  -5.132  -2.905
  102    H    TYR  14           H        TYR  14   3.034  -4.040  -3.524
  103    HA   TYR  14           HA       TYR  14   1.891  -2.285  -5.544
  104   1HB   TYR  14          1HB       TYR  14   1.135  -4.085  -7.112
  105   2HB   TYR  14          2HB       TYR  14   2.882  -4.009  -7.019
  106    HD1  TYR  14           HD1      TYR  14   4.149  -5.721  -5.727
  107    HD2  TYR  14           HD2      TYR  14  -0.051  -6.053  -6.301
  108    HE1  TYR  14           HE1      TYR  14   4.254  -8.069  -5.069
  109    HE2  TYR  14           HE2      TYR  14   0.053  -8.404  -5.643
  110    HH   TYR  14           HH       TYR  14   1.695  -9.828  -4.140
  111    H    GLY  15           H        GLY  15  -0.448  -3.508  -6.061
  112   1HA   GLY  15          1HA       GLY  15  -1.580  -4.687  -3.654
  113   2HA   GLY  15          2HA       GLY  15  -2.144  -3.044  -3.947
  114    H    VAL  16           H        VAL  16  -3.699  -5.388  -3.916
  115    HA   VAL  16           HA       VAL  16  -4.715  -5.429  -6.742
  116    HB   VAL  16           HB       VAL  16  -4.890  -7.792  -4.831
  117   1HG1  VAL  16          1HG1      VAL  16  -5.269  -7.519  -7.873
  118   2HG1  VAL  16          2HG1      VAL  16  -5.435  -9.015  -6.968
  119   3HG1  VAL  16          3HG1      VAL  16  -6.578  -7.709  -6.720
  120   1HG2  VAL  16          1HG2      VAL  16  -2.495  -7.343  -5.452
  121   2HG2  VAL  16          2HG2      VAL  16  -3.081  -8.829  -6.170
  122   3HG2  VAL  16          3HG2      VAL  16  -2.947  -7.378  -7.141
  123    H    CYS  17           H        CYS  17  -6.726  -4.950  -7.048
  124    HA   CYS  17           HA       CYS  17  -8.622  -4.825  -4.733
  125   1HB   CYS  17          1HB       CYS  17  -7.677  -2.751  -6.376
  126   2HB   CYS  17          2HB       CYS  17  -9.208  -3.141  -7.097
  127    HA   PRO  18           HA       PRO  18 -11.215  -7.650  -6.728
  128   1HB   PRO  18          1HB       PRO  18 -13.765  -6.407  -6.499
  129   2HB   PRO  18          2HB       PRO  18 -13.006  -7.506  -5.357
  130   1HG   PRO  18          1HG       PRO  18 -13.394  -4.630  -5.129
  131   2HG   PRO  18          2HG       PRO  18 -12.853  -5.763  -3.900
  132   1HD   PRO  18          1HD       PRO  18 -11.254  -3.853  -5.336
  133   2HD   PRO  18          2HD       PRO  18 -10.694  -5.053  -4.157
  134    H    ARG  19           H        ARG  19 -11.486  -8.156  -8.738
  135    HA   ARG  19           HA       ARG  19 -11.581  -8.007 -11.037
  136   1HB   ARG  19          1HB       ARG  19 -14.053  -6.672  -9.930
  137   2HB   ARG  19          2HB       ARG  19 -13.791  -6.443 -11.640
  138   1HG   ARG  19          1HG       ARG  19 -15.163  -8.418 -11.336
  139   2HG   ARG  19          2HG       ARG  19 -13.604  -8.902 -11.967
  140   1HD   ARG  19          1HD       ARG  19 -14.327 -10.408 -10.122
  141   2HD   ARG  19          2HD       ARG  19 -12.872  -9.533  -9.655
  142    HE   ARG  19           HE       ARG  19 -15.367  -8.198  -8.898
  143   1HH1  ARG  19          1HH1      ARG  19 -12.930 -10.493  -7.989
  144   2HH1  ARG  19          2HH1      ARG  19 -13.260 -10.337  -6.298
  145   1HH2  ARG  19          1HH2      ARG  19 -15.799  -7.991  -6.770
  146   2HH2  ARG  19          2HH2      ARG  19 -14.909  -8.902  -5.594
  147    H    SER  20           H        SER  20  -9.842  -6.099  -9.859
  148    HA   SER  20           HA       SER  20 -10.079  -3.691 -11.586
  149   1HB   SER  20          1HB       SER  20  -8.075  -2.892 -10.249
  150   2HB   SER  20          2HB       SER  20  -9.356  -3.448  -9.166
  151    HG   SER  20           HG       SER  20  -7.631  -4.565  -8.496
  152    H    GLU  21           H        GLU  21  -9.988  -5.708 -13.094
  153    HA   GLU  21           HA       GLU  21  -8.910  -6.941 -14.754
  154   1HB   GLU  21          1HB       GLU  21  -7.197  -4.414 -14.915
  155   2HB   GLU  21          2HB       GLU  21  -7.598  -5.497 -16.234
  156   1HG   GLU  21          1HG       GLU  21  -9.514  -3.644 -14.743
  157   2HG   GLU  21          2HG       GLU  21  -9.035  -3.539 -16.423
  158    H    GLU  22           H        GLU  22  -7.905  -7.376 -12.158
  159    HA   GLU  22           HA       GLU  22  -6.256  -8.521 -11.002
  160   1HB   GLU  22          1HB       GLU  22  -6.427 -10.049 -12.983
  161   2HB   GLU  22          2HB       GLU  22  -5.313  -9.068 -13.894
  162   1HG   GLU  22          1HG       GLU  22  -4.626 -10.667 -11.414
  163   2HG   GLU  22          2HG       GLU  22  -4.219 -11.096 -13.058
  164    H    LYS  23           H        LYS  23  -5.344  -6.826  -9.937
  165    HA   LYS  23           HA       LYS  23  -3.426  -5.076 -11.257
  166   1HB   LYS  23          1HB       LYS  23  -5.176  -4.938  -8.857
  167   2HB   LYS  23          2HB       LYS  23  -3.665  -4.078  -8.689
  168   1HG   LYS  23          1HG       LYS  23  -5.492  -3.665 -11.054
  169   2HG   LYS  23          2HG       LYS  23  -5.566  -2.699  -9.595
  170   1HD   LYS  23          1HD       LYS  23  -3.166  -2.052  -9.931
  171   2HD   LYS  23          2HD       LYS  23  -3.113  -2.999 -11.406
  172   1HE   LYS  23          1HE       LYS  23  -4.910  -1.591 -12.389
  173   2HE   LYS  23          2HE       LYS  23  -4.964  -0.634 -10.913
  174   1HZ   LYS  23          1HZ       LYS  23  -2.609  -0.955 -12.679
  175   2HZ   LYS  23          2HZ       LYS  23  -3.615   0.411 -12.594
  176   3HZ   LYS  23          3HZ       LYS  23  -2.664  -0.028 -11.256
  177    H    LYS  24           H        LYS  24  -1.896  -6.995 -11.370
  178    HA   LYS  24           HA       LYS  24   0.285  -6.522  -9.529
  179   1HB   LYS  24          1HB       LYS  24  -1.006  -8.050  -8.036
  180   2HB   LYS  24          2HB       LYS  24  -1.168  -9.246  -9.289
  181   1HG   LYS  24          1HG       LYS  24   1.517  -8.320  -8.202
  182   2HG   LYS  24          2HG       LYS  24   0.631  -9.665  -7.522
  183   1HD   LYS  24          1HD       LYS  24   0.832 -10.911  -9.658
  184   2HD   LYS  24          2HD       LYS  24   1.753  -9.599 -10.369
  185   1HE   LYS  24          1HE       LYS  24   2.617 -11.109  -7.899
  186   2HE   LYS  24          2HE       LYS  24   3.279 -11.301  -9.517
  187   1HZ   LYS  24          1HZ       LYS  24   3.627  -8.757  -9.336
  188   2HZ   LYS  24          2HZ       LYS  24   3.537  -9.046  -7.665
  189   3HZ   LYS  24          3HZ       LYS  24   4.724  -9.823  -8.599
  190    H    ASN  25           H        ASN  25   1.903  -6.573 -10.880
  191    HA   ASN  25           HA       ASN  25   2.255  -8.758 -12.788
  192   1HB   ASN  25          1HB       ASN  25   1.365  -6.000 -13.543
  193   2HB   ASN  25          2HB       ASN  25   2.780  -6.524 -14.440
  194   1HD2  ASN  25          2HD2      ASN  25  -0.598  -7.351 -13.725
  195   2HD2  ASN  25          1HD2      ASN  25  -0.803  -8.380 -15.057
  196    H    ASP  26           H        ASP  26   3.805  -9.068 -11.135
  197    HA   ASP  26           HA       ASP  26   5.927  -8.993 -10.197
  198   1HB   ASP  26          1HB       ASP  26   6.192  -8.458 -13.126
  199   2HB   ASP  26          2HB       ASP  26   7.568  -7.871 -12.217
  200    H    ARG  27           H        ARG  27   4.872  -7.374  -8.886
  201    HA   ARG  27           HA       ARG  27   4.700  -5.406  -7.734
  202   1HB   ARG  27          1HB       ARG  27   6.712  -6.218  -6.875
  203   2HB   ARG  27          2HB       ARG  27   7.588  -5.908  -8.339
  204   1HG   ARG  27          1HG       ARG  27   6.509  -3.524  -6.818
  205   2HG   ARG  27          2HG       ARG  27   7.809  -4.391  -6.053
  206   1HD   ARG  27          1HD       ARG  27   9.206  -3.074  -7.249
  207   2HD   ARG  27          2HD       ARG  27   8.786  -4.046  -8.656
  208    HE   ARG  27           HE       ARG  27   6.752  -2.219  -8.559
  209   1HH1  ARG  27          1HH1      ARG  27  10.208  -1.954  -8.498
  210   2HH1  ARG  27          2HH1      ARG  27  10.207  -0.402  -9.266
  211   1HH2  ARG  27          1HH2      ARG  27   6.729  -0.276  -9.522
  212   2HH2  ARG  27          2HH2      ARG  27   8.207   0.566  -9.858
  213    H    ILE  28           H        ILE  28   3.532  -3.902  -8.589
  214    HA   ILE  28           HA       ILE  28   4.254  -2.289 -10.844
  215    HB   ILE  28           HB       ILE  28   1.933  -1.690  -9.046
  216   1HG1  ILE  28          1HG1      ILE  28   1.884  -4.009 -11.096
  217   2HG1  ILE  28          2HG1      ILE  28   1.979  -4.310  -9.377
  218   1HG2  ILE  28          1HG2      ILE  28   2.294  -0.363 -11.093
  219   2HG2  ILE  28          2HG2      ILE  28   2.275  -1.836 -12.048
  220   3HG2  ILE  28          3HG2      ILE  28   0.822  -1.283 -11.228
  221   1HD1  ILE  28          1HD1      ILE  28  -0.172  -3.177  -9.004
  222   2HD1  ILE  28          2HD1      ILE  28  -0.338  -2.893 -10.731
  223   3HD1  ILE  28          3HD1      ILE  28  -0.315  -4.525 -10.117
  224    H    CYS  29           H        CYS  29   3.589   0.257 -10.252
  225    HA   CYS  29           HA       CYS  29   5.209   1.005  -7.860
  226   1HB   CYS  29          1HB       CYS  29   5.958   1.326 -10.416
  227   2HB   CYS  29          2HB       CYS  29   4.940   2.715 -10.316
  228    H    THR  30           H        THR  30   3.291   0.943  -6.703
  229    HA   THR  30           HA       THR  30   1.557   3.342  -7.045
  230    HB   THR  30           HB       THR  30   0.379   1.364  -8.011
  231    HG1  THR  30           HG1      THR  30  -1.367   1.388  -6.340
  232   1HG2  THR  30          1HG2      THR  30   0.658   0.156  -5.201
  233   2HG2  THR  30          2HG2      THR  30  -0.259  -0.535  -6.531
  234   3HG2  THR  30          3HG2      THR  30   1.489  -0.427  -6.630
  235    H    ASN  31           H        ASN  31  -0.019   3.283  -4.968
  236    HA   ASN  31           HA       ASN  31   1.452   2.657  -2.527
  237   1HB   ASN  31          1HB       ASN  31   1.303   5.052  -1.708
  238   2HB   ASN  31          2HB       ASN  31   2.297   4.937  -3.149
  239   1HD2  ASN  31          2HD2      ASN  31   0.952   7.323  -2.255
  240   2HD2  ASN  31          1HD2      ASN  31  -0.150   7.759  -3.469
  241    H    CYS  32           H        CYS  32   0.305   2.640  -0.666
  242    HA   CYS  32           HA       CYS  32  -2.347   1.734  -0.741
  243   1HB   CYS  32          1HB       CYS  32  -0.967   1.291   1.188
  244   2HB   CYS  32          2HB       CYS  32  -0.761   2.994   1.515
  245    H    CYS  33           H        CYS  33  -1.144   4.978  -0.302
  246    HA   CYS  33           HA       CYS  33  -3.449   6.340   0.562
  247   1HB   CYS  33          1HB       CYS  33  -1.136   7.279   0.289
  248   2HB   CYS  33          2HB       CYS  33  -1.380   7.301  -1.430
  249    H    ALA  34           H        ALA  34  -2.437   5.494  -2.728
  250    HA   ALA  34           HA       ALA  34  -4.680   6.725  -4.052
  251   1HB   ALA  34          1HB       ALA  34  -2.902   4.413  -4.965
  252   2HB   ALA  34          2HB       ALA  34  -3.976   5.337  -6.003
  253   3HB   ALA  34          3HB       ALA  34  -2.595   6.119  -5.255
  254    H    GLY  35           H        GLY  35  -3.979   3.334  -3.263
  255   1HA   GLY  35          1HA       GLY  35  -6.301   2.120  -4.077
  256   2HA   GLY  35          2HA       GLY  35  -5.341   1.549  -2.732
  257    H    THR  36           H        THR  36  -8.235   1.560  -3.153
  258    HA   THR  36           HA       THR  36  -9.027   2.782  -0.577
  259    HB   THR  36           HB       THR  36 -10.982   2.758  -2.930
  260    HG1  THR  36           HG1      THR  36  -8.992   3.838  -3.520
  261   1HG2  THR  36          1HG2      THR  36 -11.796   3.535  -0.631
  262   2HG2  THR  36          2HG2      THR  36 -10.593   4.805  -0.696
  263   3HG2  THR  36          3HG2      THR  36 -11.889   4.762  -1.869
  264    H    LYS  37           H        LYS  37 -11.478   1.901  -0.270
  265    HA   LYS  37           HA       LYS  37 -11.456  -0.582   0.764
  266   1HB   LYS  37          1HB       LYS  37 -13.469   0.437   1.166
  267   2HB   LYS  37          2HB       LYS  37 -13.582   1.121  -0.441
  268   1HG   LYS  37          1HG       LYS  37 -14.395  -1.029  -1.332
  269   2HG   LYS  37          2HG       LYS  37 -14.163  -1.791   0.236
  270   1HD   LYS  37          1HD       LYS  37 -15.829  -0.198   1.225
  271   2HD   LYS  37          2HD       LYS  37 -16.054   0.536  -0.354
  272   1HE   LYS  37          1HE       LYS  37 -17.841  -1.116   0.089
  273   2HE   LYS  37          2HE       LYS  37 -16.844  -1.664  -1.250
  274   1HZ   LYS  37          1HZ       LYS  37 -16.278  -2.498   1.519
  275   2HZ   LYS  37          2HZ       LYS  37 -17.420  -3.315   0.566
  276   3HZ   LYS  37          3HZ       LYS  37 -15.799  -3.233   0.066
  277    H    GLY  38           H        GLY  38 -11.372  -2.611   0.227
  278   1HA   GLY  38          1HA       GLY  38 -11.806  -4.561  -1.091
  279   2HA   GLY  38          2HA       GLY  38 -11.953  -3.547  -2.521
  280    H    CYS  39           H        CYS  39  -9.617  -2.026  -2.210
  281    HA   CYS  39           HA       CYS  39  -7.660  -3.719  -3.398
  282   1HB   CYS  39          1HB       CYS  39  -7.240  -1.029  -2.119
  283   2HB   CYS  39          2HB       CYS  39  -6.219  -1.833  -3.265
  284    H    LYS  40           H        LYS  40  -5.651  -4.300  -2.671
  285    HA   LYS  40           HA       LYS  40  -5.114  -4.374   0.259
  286   1HB   LYS  40          1HB       LYS  40  -5.150  -6.766  -1.611
  287   2HB   LYS  40          2HB       LYS  40  -4.533  -6.820   0.030
  288   1HG   LYS  40          1HG       LYS  40  -6.724  -6.231   0.949
  289   2HG   LYS  40          2HG       LYS  40  -7.398  -5.985  -0.644
  290   1HD   LYS  40          1HD       LYS  40  -6.368  -8.649   0.395
  291   2HD   LYS  40          2HD       LYS  40  -8.055  -8.179   0.321
  292   1HE   LYS  40          1HE       LYS  40  -6.189  -8.537  -2.080
  293   2HE   LYS  40          2HE       LYS  40  -7.550  -9.548  -1.639
  294   1HZ   LYS  40          1HZ       LYS  40  -8.995  -7.591  -1.919
  295   2HZ   LYS  40          2HZ       LYS  40  -7.660  -6.723  -2.507
  296   3HZ   LYS  40          3HZ       LYS  40  -8.225  -8.084  -3.351
  297    H    TYR  41           H        TYR  41  -3.359  -3.088   0.185
  298    HA   TYR  41           HA       TYR  41  -1.289  -3.476  -1.834
  299   1HB   TYR  41          1HB       TYR  41  -1.903  -1.412   0.275
  300   2HB   TYR  41          2HB       TYR  41  -0.329  -1.456  -0.474
  301    HD1  TYR  41           HD1      TYR  41  -3.941  -1.668  -1.619
  302    HD2  TYR  41           HD2      TYR  41  -0.058  -0.039  -2.295
  303    HE1  TYR  41           HE1      TYR  41  -4.776  -0.414  -3.549
  304    HE2  TYR  41           HE2      TYR  41  -0.913   1.195  -4.200
  305    HH   TYR  41           HH       TYR  41  -3.608   2.063  -4.779
  306    H    PHE  42           H        PHE  42   0.362  -4.738  -1.536
  307    HA   PHE  42           HA       PHE  42   1.467  -5.260   1.156
  308   1HB   PHE  42          1HB       PHE  42   2.120  -7.483  -0.496
  309   2HB   PHE  42          2HB       PHE  42   0.990  -7.408   0.827
  310    HD1  PHE  42           HD1      PHE  42   0.981  -6.401  -2.793
  311    HD2  PHE  42           HD2      PHE  42  -1.087  -8.215   0.460
  312    HE1  PHE  42           HE1      PHE  42  -0.923  -6.893  -4.252
  313    HE2  PHE  42           HE2      PHE  42  -2.986  -8.713  -1.013
  314    HZ   PHE  42           HZ       PHE  42  -2.898  -8.053  -3.373
  315    H    SER  43           H        SER  43   3.608  -5.588   1.364
  316    HA   SER  43           HA       SER  43   5.382  -4.114  -0.335
  317   1HB   SER  43          1HB       SER  43   5.864  -5.899   2.076
  318   2HB   SER  43          2HB       SER  43   6.977  -4.739   1.389
  319    HG   SER  43           HG       SER  43   6.012  -3.358   2.604
  320    H    ASP  44           H        ASP  44   7.574  -5.228  -0.518
  321    HA   ASP  44           HA       ASP  44   7.248  -7.497  -2.393
  322   1HB   ASP  44          1HB       ASP  44   8.843  -5.217  -2.488
  323   2HB   ASP  44          2HB       ASP  44  10.001  -6.422  -1.958
  324    H    ASP  45           H        ASP  45   8.341  -6.817   0.738
  325    HA   ASP  45           HA       ASP  45  10.079  -9.100   1.133
  326   1HB   ASP  45          1HB       ASP  45  10.295  -7.041   2.479
  327   2HB   ASP  45          2HB       ASP  45   8.653  -7.210   3.064
  328    H    GLY  46           H        GLY  46   6.876  -9.056   0.480
  329   1HA   GLY  46          1HA       GLY  46   5.215 -10.602   0.675
  330   2HA   GLY  46          2HA       GLY  46   6.400 -11.703   1.427
  331    H    THR  47           H        THR  47   4.900  -8.575   2.092
  332    HA   THR  47           HA       THR  47   3.814  -9.414   4.591
  333    HB   THR  47           HB       THR  47   5.954  -7.236   4.352
  334    HG1  THR  47           HG1      THR  47   6.874  -9.202   4.519
  335   1HG2  THR  47          1HG2      THR  47   4.474  -8.247   6.866
  336   2HG2  THR  47          2HG2      THR  47   5.726  -7.014   6.850
  337   3HG2  THR  47          3HG2      THR  47   4.159  -6.683   6.131
  338    H    PHE  48           H        PHE  48   1.864  -8.731   4.452
  339    HA   PHE  48           HA       PHE  48   0.861  -6.757   2.666
  340   1HB   PHE  48          1HB       PHE  48  -0.552  -8.559   3.382
  341   2HB   PHE  48          2HB       PHE  48  -0.274  -8.210   5.074
  342    HD1  PHE  48           HD1      PHE  48  -1.303  -6.287   6.137
  343    HD2  PHE  48           HD2      PHE  48  -2.274  -7.277   2.103
  344    HE1  PHE  48           HE1      PHE  48  -3.292  -4.866   6.275
  345    HE2  PHE  48           HE2      PHE  48  -4.265  -5.852   2.251
  346    HZ   PHE  48           HZ       PHE  48  -4.769  -4.648   4.347
  347    H    VAL  49           H        VAL  49   0.464  -4.684   2.845
  348    HA   VAL  49           HA       VAL  49   1.348  -3.265   5.319
  349    HB   VAL  49           HB       VAL  49   0.991  -2.214   2.476
  350   1HG1  VAL  49          1HG1      VAL  49   2.215  -0.888   4.943
  351   2HG1  VAL  49          2HG1      VAL  49   2.193  -0.208   3.325
  352   3HG1  VAL  49          3HG1      VAL  49   0.692  -0.426   4.202
  353   1HG2  VAL  49          1HG2      VAL  49   3.479  -2.921   4.089
  354   2HG2  VAL  49          2HG2      VAL  49   2.853  -3.831   2.723
  355   3HG2  VAL  49          3HG2      VAL  49   3.485  -2.215   2.485
  356    H    CYS  50           H        CYS  50  -1.218  -2.695   2.800
  357    HA   CYS  50           HA       CYS  50  -3.122  -2.233   5.030
  358   1HB   CYS  50          1HB       CYS  50  -3.497   0.000   4.665
  359   2HB   CYS  50          2HB       CYS  50  -1.866  -0.015   4.056
  360    H    GLU  51           H        GLU  51  -5.297  -1.644   4.086
  361    HA   GLU  51           HA       GLU  51  -5.795  -3.022   1.501
  362   1HB   GLU  51          1HB       GLU  51  -6.407  -4.758   3.015
  363   2HB   GLU  51          2HB       GLU  51  -6.961  -3.640   4.245
  364   1HG   GLU  51          1HG       GLU  51  -9.033  -3.209   2.970
  365   2HG   GLU  51          2HG       GLU  51  -8.441  -4.154   1.617
  366    H    GLY  52           H        GLY  52  -6.136  -1.162   0.480
  367   1HA   GLY  52          1HA       GLY  52  -7.311   0.675  -0.310
  368   2HA   GLY  52          2HA       GLY  52  -8.650   0.128   0.702
  369    H    GLU  53           H        GLU  53  -9.194   2.233   1.256
  370    HA   GLU  53           HA       GLU  53  -7.737   3.310   3.554
  371   1HB   GLU  53          1HB       GLU  53  -7.298   5.512   2.634
  372   2HB   GLU  53          2HB       GLU  53  -6.608   4.358   1.512
  373   1HG   GLU  53          1HG       GLU  53  -8.780   4.529   0.175
  374   2HG   GLU  53          2HG       GLU  53  -9.234   5.870   1.200
  375    H    SER  54           H        SER  54 -10.424   3.565   1.263
  376    HA   SER  54           HA       SER  54 -12.151   4.493   3.534
  377   1HB   SER  54          1HB       SER  54 -12.183   5.593   0.658
  378   2HB   SER  54          2HB       SER  54 -13.317   6.041   1.936
  379    HG   SER  54           HG       SER  54 -11.252   6.397   3.186