*HEADER    TOXIN                                   08-JAN-15   2MXM              
*TITLE     NMR SOLUTION STRUCTURE OF TRTX-TP1A FROM THE TARANTULA THRIXOPELMA    
*TITLE    2 PRURIENS                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENTITY;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    SPIDER TOXIN, SODIUM CHANNEL INHIBITOR, CYSTINE KNOT, TOXIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.ROSENGREN                                                           
*REVDAT   1   03-JUN-15 2MXM    0                                                


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assign (resid   3 and name    N)   (resid  15 and name    O)   2.550    0.750    0.750  
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assign (resid   6 and name    N)   (resid  29 and name    O)   2.550    0.750    0.750  
assign (resid   7 and name   HN)   (resid   4 and name    O)   2.050    0.450    0.250  
assign (resid   7 and name    N)   (resid   4 and name    O)   2.550    0.750    0.750  
assign (resid   9 and name   HN)   (resid  27 and name    O)   2.050    0.450    0.250  
assign (resid   9 and name    N)   (resid  27 and name    O)   2.550    0.750    0.750  
assign (resid  13 and name   HN)   (resid  10 and name    O)   2.050    0.450    0.250  
assign (resid  13 and name    N)   (resid  10 and name    O)   2.550    0.750    0.750  
assign (resid  16 and name   HN)   (resid  14 and name    OD1 or resid 14 and name OD2)   2.050    0.450    0.250  
assign (resid  16 and name    N)   (resid  14 and name    OD1 or resid 14 and name OD2)   2.550    0.750    0.750  
assign (resid  17 and name   HN)   (resid   3 and name    O)   2.050    0.450    0.250  
assign (resid  17 and name    N)   (resid   3 and name    O)   2.550    0.750    0.750  
assign (resid  20 and name   HN)   (resid  17 and name    O)   2.050    0.450    0.250  
assign (resid  20 and name    N)   (resid  17 and name    O)   2.550    0.750    0.750  
assign (resid  22 and name   HN)   (resid  14 and name    OD1 or resid 14 and name OD2)   2.050    0.450    0.250
assign (resid  22 and name    N)   (resid  14 and name    OD1 or resid 14 and name OD2)   2.550    0.750    0.750  
assign (resid  29 and name   HN)   (resid   7 and name    O)   2.050    0.450    0.250  
assign (resid  29 and name    N)   (resid   7 and name    O)   2.550    0.750    0.750  
assign (resid  30 and name   HN)   (resid  21 and name    O)   2.050    0.450    0.250  
assign (resid  30 and name    N)   (resid  21 and name    O)   2.550    0.750    0.750  
assign (resid  32 and name   HN)   (resid  19 and name    O)   2.050    0.450    0.250  
assign (resid  32 and name    N)   (resid  19 and name    O)   2.550    0.750    0.750  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.230    0.430    0.430  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.545    0.745    0.745  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.820    1.020    1.020  
assign (resid   2 and name   HA)   (resid   2 and name  HB1)   2.125    0.325    0.325  
assign (resid   2 and name   HA)   (resid   2 and name  HB2)   2.200    0.400    0.400  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.155    0.355    0.355  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.810    1.010    1.010  
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assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.235    0.435    0.435  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.770    0.970    0.970  
assign (resid   3 and name   HN)   (resid   3 and name   HG)   2.120    0.320    0.320  
assign (resid   3 and name   HN)   (resid   3 and name HD1#)   2.790    0.990    0.990  
assign (resid   3 and name   HN)   (resid   3 and name HD2#)   2.815    1.015    1.015  
assign (resid   3 and name   HA)   (resid   3 and name  HB1)   2.360    0.560    0.560  
assign (resid   3 and name   HA)   (resid   3 and name   HG)   2.480    0.680    0.680  
assign (resid   3 and name   HA)   (resid   3 and name HD1#)   3.065    1.265    1.265  
assign (resid   3 and name   HA)   (resid   3 and name HD2#)   2.165    0.365    0.365  
assign (resid   3 and name  HB2)   (resid   3 and name HD1#)   2.245    0.445    0.445  
assign (resid   3 and name  HB2)   (resid   3 and name HD2#)   2.520    0.720    0.720  
assign (resid   3 and name  HB1)   (resid   3 and name HD1#)   2.455    0.655    0.655  
assign (resid   3 and name  HB1)   (resid   3 and name HD2#)   2.365    0.565    0.565  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.055    1.255    1.255  
assign (resid   3 and name HD1#)   (resid   4 and name   HN)   3.340    1.540    1.540  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.750    0.950    0.950  
assign (resid   3 and name   HG)   (resid   4 and name   HN)   3.465    1.665    1.665  
assign (resid   3 and name HD2#)   (resid   4 and name   HN)   2.705    0.905    0.905  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.755    0.955    0.955  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.220    0.420    0.420  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   2.445    0.645    0.645  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   3.165    1.365    1.365  
assign (resid   4 and name   HA)   (resid   4 and name  HB1)   2.230    0.430    0.430  
assign (resid   4 and name   HA)   (resid   4 and name  HG#)   2.480    0.680    0.680  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   3.230    1.430    1.430  
assign (resid   4 and name   HA)   (resid   4 and name  HE#)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid   4 and name  HE#)   3.650    1.850    1.850  
assign (resid   4 and name  HB2)   (resid   4 and name  HE#)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.180    1.380    1.380  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.225    0.425    0.425  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.100    0.300    0.300  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.725    0.925    0.925  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   3.220    1.420    1.420  
assign (resid   5 and name   HN)   (resid   5 and name   HA)   2.355    0.555    0.555  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.275    0.475    0.475  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.275    0.475    0.475  
assign (resid   5 and name  HD#)   (resid   5 and name   HZ)   2.895    1.095    1.095  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.100    0.300    0.300  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.055    1.255    1.255  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.480    0.680    0.680  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.155    0.355    0.355  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.715    0.915    0.915  
assign (resid   7 and name  HB2)   (resid   7 and name  HD1)   2.785    0.985    0.985  
assign (resid   7 and name  HB1)   (resid   7 and name  HD1)   2.840    1.040    1.040  
assign (resid   7 and name  HB2)   (resid   7 and name  HE3)   2.650    0.850    0.850  
assign (resid   7 and name  HB1)   (resid   7 and name  HE3)   2.360    0.560    0.560  
assign (resid   7 and name   HA)   (resid   7 and name  HB1)   2.290    0.490    0.490  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.190    0.390    0.390  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.970    1.170    1.170  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.340    0.540    0.540  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   2.930    1.130    1.130  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.650    1.850    1.850  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   8 and name  HE#)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name  HB1)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.795    0.995    0.995  
assign (resid   8 and name  HB2)   (resid   8 and name  HE#)   3.650    1.850    1.850  
assign (resid   8 and name  HB1)   (resid   8 and name  HE#)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.100    0.300    0.300  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.005    1.205    1.205  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.005    1.205    1.205  
assign (resid   8 and name  HG#)   (resid   9 and name   HN)   3.415    1.615    1.615  
assign (resid   8 and name  HD#)   (resid   9 and name   HN)   2.750    0.950    0.950  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.795    0.995    0.995  
assign (resid   9 and name   HA)   (resid   9 and name  HB2)   2.180    0.380    0.380  
assign (resid   9 and name   HA)   (resid   9 and name  HB1)   2.160    0.360    0.360  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.260    0.460    0.460  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.220    0.420    0.420  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.975    1.175    1.175  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.450    0.650    0.650  
assign (resid  10 and name  HB1)   (resid  10 and name HD21)   2.400    0.600    0.600  
assign (resid  10 and name  HB2)   (resid  10 and name HD21)   2.335    0.535    0.535  
assign (resid  10 and name  HB1)   (resid  10 and name HD22)   2.880    1.080    1.080  
assign (resid  10 and name  HB2)   (resid  10 and name HD22)   2.650    0.850    0.850  
assign (resid  10 and name   HA)   (resid  10 and name  HB1)   2.360    0.560    0.560  
assign (resid  11 and name  HG2)   (resid  12 and name   HN)   2.450    0.650    0.650  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.705    0.905    0.905  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.225    0.425    0.425  
assign (resid   3 and name   HG)   (resid  15 and name  HB2)   3.650    1.850    1.850  
assign (resid  12 and name   HA)   (resid  12 and name  HB1)   2.305    0.505    0.505  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   2.835    1.035    1.035  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.760    0.960    0.960  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.505    0.705    0.705  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.345    0.545    0.545  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.840    1.040    1.040  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.840    1.040    1.040  
assign (resid  13 and name  HB2)   (resid  13 and name HD21)   2.640    0.840    0.840  
assign (resid  13 and name  HB1)   (resid  13 and name HD21)   2.640    0.840    0.840  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.930    1.130    1.130  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.100    0.300    0.300  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.300    0.500    0.500  
assign (resid  14 and name   HA)   (resid  14 and name  HB2)   2.300    0.500    0.500  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.100    0.300    0.300  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.075    1.275    1.275  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.235    1.435    1.435  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.795    0.995    0.995  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.225    0.425    0.425  
assign (resid  15 and name   HN)   (resid  15 and name  HG#)   2.625    0.825    0.825  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   2.920    1.120    1.120  
assign (resid  15 and name   HA)   (resid  15 and name  HB1)   2.385    0.585    0.585  
assign (resid  15 and name   HA)   (resid  15 and name  HG#)   2.665    0.865    0.865  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   2.695    0.895    0.895  
assign (resid  15 and name   HA)   (resid  15 and name  HE#)   2.690    0.890    0.890  
assign (resid  15 and name  HB1)   (resid  15 and name  HE#)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.455    0.655    0.655  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.405    0.605    0.605  
assign (resid   3 and name   HG)   (resid  16 and name   HN)   3.275    1.475    1.475  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   3.405    1.605    1.605  
assign (resid  16 and name   HN)   (resid  16 and name   HA)   2.360    0.560    0.560  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.235    0.435    0.435  
assign (resid  16 and name   HA)   (resid  16 and name  HB1)   2.320    0.520    0.520  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.175    0.375    0.375  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.415    0.615    0.615  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   2.705    0.905    0.905  
assign (resid  17 and name   HN)   (resid  17 and name   HA)   2.335    0.535    0.535  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.745    0.945    0.945  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.200    0.400    0.400  
assign (resid  17 and name   HA)   (resid  17 and name  HB1)   2.265    0.465    0.465  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.175    0.375    0.375  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   2.175    0.375    0.375  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   2.815    1.015    1.015  
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assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.295    0.495    0.495  
assign (resid  18 and name   HN)   (resid  18 and name  HB#)   2.110    0.310    0.310  
assign (resid  18 and name   HA)   (resid  18 and name  HB#)   2.275    0.475    0.475  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.100    0.300    0.300  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.780    0.980    0.980  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.435    0.635    0.635  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.380    0.580    0.580  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.300    0.500    0.500  
assign (resid  20 and name   HN)   (resid  20 and name HD1#)   2.875    1.075    1.075  
assign (resid  20 and name   HN)   (resid  20 and name HD2#)   3.165    1.365    1.365  
assign (resid  20 and name   HA)   (resid  20 and name   HG)   2.340    0.540    0.540  
assign (resid  20 and name   HA)   (resid  20 and name HD1#)   2.185    0.385    0.385  
assign (resid  20 and name   HA)   (resid  20 and name HD2#)   2.855    1.055    1.055  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.105    0.305    0.305  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   2.845    1.045    1.045  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name   HG)   (resid  21 and name   HN)   2.255    0.455    0.455  
assign (resid  20 and name HD1#)   (resid  21 and name   HN)   2.765    0.965    0.965  
assign (resid  20 and name HD2#)   (resid  21 and name   HN)   3.105    1.305    1.305  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.560    0.760    0.760  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.560    0.760    0.760  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   3.070    1.270    1.270  
assign (resid  21 and name   HA)   (resid  21 and name  HE#)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  21 and name  HG#)   2.430    0.630    0.630  
assign (resid  21 and name   HA)   (resid  21 and name  HD#)   3.250    1.450    1.450  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   2.980    1.180    1.180  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.980    1.180    1.180  
assign (resid  21 and name  HG#)   (resid  22 and name   HN)   2.395    0.595    0.595  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.185    0.385    0.385  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.390    0.590    0.590  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.390    0.590    0.590  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.100    0.300    0.300  
assign (resid  23 and name  HA1)   (resid  24 and name   HN)   2.330    0.530    0.530  
assign (resid  23 and name  HA2)   (resid  24 and name   HN)   2.330    0.530    0.530  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.815    1.015    1.015  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.815    1.015    1.015  
assign (resid  24 and name   HA)   (resid  24 and name  HB2)   2.320    0.520    0.520  
assign (resid  24 and name   HA)   (resid  24 and name  HB1)   2.320    0.520    0.520  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.055    1.255    1.255  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.710    0.910    0.910  
assign (resid  25 and name   HA)   (resid  25 and name  HB#)   2.205    0.405    0.405  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.235    1.435    1.435  
assign (resid  26 and name  HB2)   (resid  26 and name  HD2)   2.765    0.965    0.965  
assign (resid  26 and name  HB1)   (resid  26 and name  HD2)   2.765    0.965    0.965  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.405    0.605    0.605  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.805    1.005    1.005  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.505    0.705    0.705  
assign (resid  27 and name  HB2)   (resid  27 and name HD21)   2.535    0.735    0.735  
assign (resid  27 and name  HB2)   (resid  27 and name HD22)   2.780    0.980    0.980  
assign (resid  27 and name   HA)   (resid  27 and name  HB1)   2.235    0.435    0.435  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.345    0.545    0.545  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.260    1.460    1.460  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.930    1.130    1.130  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.720    0.920    0.920  
assign (resid  28 and name   HA)   (resid  28 and name  HB2)   2.180    0.380    0.380  
assign (resid  28 and name   HA)   (resid  28 and name  HB1)   2.240    0.440    0.440  
assign (resid  28 and name  HB2)   (resid  28 and name  HD1)   2.680    0.880    0.880  
assign (resid  28 and name  HB2)   (resid  28 and name  HE3)   2.630    0.830    0.830  
assign (resid  28 and name  HB1)   (resid  28 and name  HE3)   2.405    0.605    0.605  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.250    0.450    0.450  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   2.470    0.670    0.670  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.675    0.875    0.875  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.225    0.425    0.425  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.735    0.935    0.935  
assign (resid  29 and name   HA)   (resid  29 and name  HB1)   2.405    0.605    0.605  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.100    0.300    0.300  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  29 and name  HB1)   (resid  30 and name   HN)   2.745    0.945    0.945  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.430    0.630    0.630  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.855    1.055    1.055  
assign (resid  30 and name   HN)   (resid  30 and name  HG#)   2.445    0.645    0.645  
assign (resid  30 and name   HA)   (resid  30 and name  HD#)   3.335    1.535    1.535  
assign (resid  30 and name   HA)   (resid  30 and name  HE#)   3.245    1.445    1.445  
assign (resid  30 and name  HB2)   (resid  30 and name  HE#)   3.650    1.850    1.850  
assign (resid   3 and name  HB2)   (resid  16 and name  HB1)   3.650    1.850    1.850  
assign (resid  30 and name  HB1)   (resid  30 and name  HE#)   3.650    1.850    1.850  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.620    0.820    0.820  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   2.715    0.915    0.915  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   2.365    0.565    0.565  
assign (resid  30 and name  HG#)   (resid  31 and name   HN)   3.000    1.200    1.200  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.170    0.370    0.370  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.785    0.985    0.985  
assign (resid  20 and name HD1#)   (resid  31 and name   HN)   2.880    1.080    1.080  
assign (resid  31 and name   HN)   (resid  31 and name HD1#)   3.030    1.230    1.230  
assign (resid  31 and name   HN)   (resid  31 and name HD2#)   3.030    1.230    1.230  
assign (resid  31 and name   HA)   (resid  31 and name  HB1)   2.325    0.525    0.525  
assign (resid  20 and name HD1#)   (resid  31 and name   HA)   2.155    0.355    0.355  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.100    0.300    0.300  
assign (resid  20 and name HD1#)   (resid  32 and name   HN)   2.795    0.995    0.995  
assign (resid  32 and name   HN)   (resid  32 and name  HB2)   2.430    0.630    0.630  
assign (resid  32 and name   HN)   (resid  32 and name  HB1)   2.430    0.630    0.630  
assign (resid  28 and name  HZ2)   (resid  30 and name  HE#)   3.080    1.280    1.280  
assign (resid  32 and name   HA)   (resid  33 and name   HN)   2.205    0.405    0.405  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.205    1.405    1.405  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.205    1.405    1.405  
assign (resid  33 and name   HN)   (resid  33 and name HD1#)   3.505    1.705    1.705  
assign (resid  33 and name   HN)   (resid  33 and name HD2#)   3.505    1.705    1.705  
assign (resid  33 and name   HA)   (resid  33 and name HD1#)   3.420    1.620    1.620  
assign (resid  33 and name   HA)   (resid  33 and name HD2#)   3.420    1.620    1.620  
assign (resid  10 and name   HA)   (resid  11 and name  HD2)   2.170    0.370    0.370  
assign (resid  10 and name   HA)   (resid  11 and name  HD1)   2.170    0.370    0.370  
assign (resid   4 and name  HB2)   (resid   7 and name  HE1)   2.520    0.720    0.720  
assign (resid   4 and name  HB1)   (resid   7 and name  HE1)   2.900    1.100    1.100  
assign (resid  28 and name  HE1)   (resid  30 and name  HG#)   2.800    1.000    1.000  
assign (resid  28 and name  HE1)   (resid  30 and name  HE#)   2.900    1.100    1.100  
assign (resid   3 and name   HN)   (resid  17 and name   HN)   2.725    0.925    0.925  
assign (resid  21 and name   HN)   (resid  30 and name   HN)   2.745    0.945    0.945  
assign (resid  21 and name   HN)   (resid  29 and name  HB1)   3.250    1.450    1.450  
assign (resid  14 and name  HB1)   (resid  16 and name   HN)   2.945    1.145    1.145  
assign (resid   3 and name  HB2)   (resid  16 and name   HN)   3.265    1.465    1.465  
assign (resid  17 and name   HN)   (resid  20 and name HD2#)   2.485    0.685    0.685  
assign (resid   3 and name HD1#)   (resid  10 and name   HN)   3.040    1.240    1.240  
assign (resid   6 and name   HN)   (resid  20 and name HD2#)   2.865    1.065    1.065  
assign (resid   6 and name   HN)   (resid  29 and name  HB1)   2.785    0.985    0.985  
assign (resid   6 and name   HN)   (resid  29 and name  HB2)   2.435    0.635    0.635  
assign (resid   3 and name   HN)   (resid  15 and name  HB1)   3.065    1.265    1.265  
assign (resid  20 and name   HA)   (resid  32 and name   HN)   2.465    0.665    0.665  
assign (resid  22 and name   HA)   (resid  30 and name   HN)   2.640    0.840    0.840  
assign (resid  21 and name   HN)   (resid  31 and name   HA)   3.150    1.350    1.350  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.170    1.370    1.370  
assign (resid   4 and name   HN)   (resid   7 and name  HE3)   2.565    0.765    0.765  
assign (resid   3 and name   HA)   (resid   7 and name  HE3)   2.330    0.530    0.530  
assign (resid  27 and name   HA)   (resid  27 and name HD21)   2.375    0.575    0.575  
assign (resid   3 and name HD2#)   (resid   7 and name  HE3)   2.155    0.355    0.355  
assign (resid   3 and name  HB1)   (resid   7 and name  HE3)   2.485    0.685    0.685  
assign (resid   3 and name  HB2)   (resid   7 and name  HE3)   3.225    1.425    1.425  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.135    1.335    1.335  
assign (resid  23 and name   HN)   (resid  30 and name   HN)   2.980    1.180    1.180  
assign (resid   7 and name   HN)   (resid  29 and name   HN)   2.715    0.915    0.915  
assign (resid   7 and name   HN)   (resid   7 and name  HD1)   2.635    0.835    0.835  
assign (resid   3 and name HD1#)   (resid  16 and name   HN)   2.755    0.955    0.955  
assign (resid  17 and name   HN)   (resid  20 and name   HG)   3.440    1.640    1.640  
assign (resid  17 and name   HN)   (resid  20 and name  HB1)   2.745    0.945    0.945  
assign (resid   2 and name  HB2)   (resid  17 and name   HN)   2.495    0.695    0.695  
assign (resid   2 and name  HB1)   (resid  17 and name   HN)   3.185    1.385    1.385  
assign (resid  14 and name   HA)   (resid  16 and name   HN)   2.840    1.040    1.040  
assign (resid   9 and name   HN)   (resid  28 and name   HA)   2.645    0.845    0.845  
assign (resid   7 and name   HA)   (resid   7 and name  HD1)   2.285    0.485    0.485  
assign (resid   3 and name   HA)   (resid   7 and name  HZ3)   2.750    0.950    0.950  
assign (resid   3 and name  HB1)   (resid   7 and name  HZ3)   3.550    1.750    1.750  
assign (resid   4 and name  HD#)   (resid   7 and name  HZ2)   2.675    0.875    0.875  
assign (resid   3 and name HD2#)   (resid   7 and name  HZ3)   2.705    0.905    0.905  
assign (resid  28 and name  HD1)   (resid  30 and name  HD#)   2.905    1.105    1.105  
assign (resid  26 and name  HB1)   (resid  28 and name  HD1)   2.895    1.095    1.095  
assign (resid  28 and name  HD1)   (resid  30 and name  HG#)   2.590    0.790    0.790  
assign (resid   8 and name   HA)   (resid  28 and name   HA)   2.185    0.385    0.385  
assign (resid  20 and name   HA)   (resid  31 and name   HA)   2.340    0.540    0.540  
assign (resid   4 and name   HN)   (resid   7 and name  HB2)   2.685    0.885    0.885  
assign (resid  27 and name   HA)   (resid  27 and name HD22)   2.760    0.960    0.960  
assign (resid   3 and name   HG)   (resid   7 and name  HE3)   3.130    1.330    1.330  
assign (resid   5 and name  HD#)   (resid  20 and name HD1#)   2.225    0.425    0.425  
assign (resid   5 and name  HD#)   (resid  20 and name HD2#)   2.640    0.840    0.840  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.250    0.450    0.450  
assign (resid  31 and name   HN)   (resid  31 and name   HG)   2.945    1.145    1.145  
assign (resid   4 and name  HB2)   (resid   7 and name  HD1)   2.535    0.735    0.735  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   2.390    0.590    0.590  
assign (resid  26 and name  HB2)   (resid  28 and name  HD1)   2.895    1.095    1.095  
assign (resid   5 and name  HE#)   (resid  31 and name  HB2)   3.035    1.235    1.235  
assign (resid   5 and name  HE#)   (resid  20 and name HD1#)   2.805    1.005    1.005  
assign (resid   3 and name HD1#)   (resid  15 and name   HN)   2.590    0.790    0.790  
assign (resid  28 and name  HZ2)   (resid  30 and name  HG#)   3.180    1.380    1.380  
assign (resid   7 and name   HN)   (resid  29 and name  HB2)   2.405    0.605    0.605  
assign (resid  18 and name   HA)   (resid  20 and name   HN)   2.745    0.945    0.945  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   2.875    1.075    1.075  
assign (resid   7 and name   HN)   (resid  29 and name  HB1)   2.875    1.075    1.075  
assign (resid   3 and name   HN)   (resid  16 and name   HA)   2.320    0.520    0.520  
assign (resid   2 and name  HB1)   (resid  17 and name   HA)   2.530    0.730    0.730  
assign (resid   2 and name  HB2)   (resid  17 and name   HA)   2.280    0.480    0.480  
assign (resid   3 and name   HG)   (resid  16 and name   HA)   2.645    0.845    0.845  
assign (resid   3 and name  HB2)   (resid  16 and name   HA)   2.110    0.310    0.310  
assign (resid   5 and name   HA)   (resid  20 and name HD1#)   2.355    0.555    0.555  
assign (resid   5 and name   HA)   (resid  20 and name HD2#)   2.100    0.300    0.300  
assign (resid  16 and name  HB1)   (resid  20 and name   HG)   2.600    0.800    0.800  
assign (resid  16 and name  HB1)   (resid  20 and name  HB1)   2.160    0.360    0.360  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.475    0.675    0.675  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.060    0.260    0.260  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   3.070    1.270    1.270  
assign (resid   5 and name  HE#)   (resid  31 and name  HD#)   2.855    1.055    1.055  
assign (resid   5 and name   HZ)   (resid  31 and name  HD#)   2.900    1.100    1.100  
assign (resid   6 and name   HN)   (resid   6 and name  HA#)   2.175    0.375    0.375  
assign (resid   6 and name  HA#)   (resid   7 and name   HN)   2.440    0.640    0.640  
assign (resid   6 and name  HA#)   (resid   7 and name  HD1)   2.925    1.125    1.125  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.290    0.490    0.490  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.720    0.920    0.920  
assign (resid  10 and name   HA)   (resid  11 and name  HD#)   2.000    0.200    0.200  
assign (resid  10 and name  HB1)   (resid  12 and name  HG#)   3.570    1.770    1.770  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   2.525    0.725    0.725  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.485    0.685    0.685  
assign (resid  13 and name  HB#)   (resid  13 and name HD21)   2.350    0.550    0.550  
assign (resid  13 and name  HB#)   (resid  13 and name HD22)   2.625    0.825    0.825  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.095    1.295    1.295  
assign (resid  19 and name   HN)   (resid  19 and name  HA#)   2.115    0.315    0.315  
assign (resid  19 and name  HA#)   (resid  20 and name   HN)   2.405    0.605    0.605  
assign (resid  20 and name   HA)   (resid  32 and name  HB#)   2.815    1.015    1.015  
assign (resid  20 and name HD1#)   (resid  31 and name  HD#)   3.620    1.820    1.820  
assign (resid  21 and name   HN)   (resid  32 and name  HB#)   2.880    1.080    1.080  
assign (resid  21 and name   HA)   (resid  32 and name  HB#)   3.570    1.770    1.770  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.615    0.815    0.815  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.120    0.320    0.320  
assign (resid  22 and name   HA)   (resid  22 and name  HB#)   2.175    0.375    0.375  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.975    1.175    1.175  
assign (resid  23 and name   HN)   (resid  23 and name  HA#)   2.115    0.315    0.315  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.405    0.605    0.605  
assign (resid  24 and name   HA)   (resid  24 and name  HB#)   2.120    0.320    0.320  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.740    0.940    0.940  
assign (resid  25 and name  HB#)   (resid  25 and name HD2#)   2.440    0.640    0.640  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.735    0.935    0.935  
assign (resid  26 and name  HB#)   (resid  26 and name  HD2)   2.410    0.610    0.610  
assign (resid  26 and name  HB#)   (resid  28 and name  HD1)   2.640    0.840    0.840  
assign (resid  26 and name  HB#)   (resid  28 and name  HE1)   2.620    0.820    0.820  
assign (resid  31 and name   HN)   (resid  31 and name  HD#)   2.750    0.950    0.950  
assign (resid  31 and name   HA)   (resid  31 and name  HD#)   2.275    0.475    0.475  
assign (resid  31 and name  HD#)   (resid  32 and name   HN)   2.710    0.910    0.910  
assign (resid  32 and name  HB#)   (resid  32 and name  HD2)   2.555    0.755    0.755  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   2.835    1.035    1.035  
assign (resid  33 and name   HN)   (resid  33 and name  HB#)   2.295    0.495    0.495  
assign (resid  33 and name   HN)   (resid  33 and name  HD#)   3.145    1.345    1.345  
assign (resid  33 and name   HA)   (resid  33 and name  HD#)   2.835    1.035    1.035  
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -60.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -100.0   80.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -120.0   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -60.0   30.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -60.0   30.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -100.0   80.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -100.0   80.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -100.0   80.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -100.0   80.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -60.0   30.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -60.0   30.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -60.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0 -120.0   30.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -120.0   30.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0 -100.0   80.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0 -120.0   30.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0 -100.0   80.0 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0 -120.0   30.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0 -100.0   80.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name CB   ) (resid 2     and name SG   )    1.0   60.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name CG   )    1.0  -60.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name CG   )    1.0  -60.0   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name CG   )    1.0  180.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name CG   )    1.0  -60.0   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0   60.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name CG   )    1.0  -60.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name CG   )    1.0  -60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0  180.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name CG   )    1.0  -60.0   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name CB   ) (resid 20    and name CG   )    1.0  180.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name CB   ) (resid 17    and name SG   )    1.0  -60.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name CB   ) (resid 22    and name SG   )    1.0  180.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name CB   ) (resid 24    and name OG   )    1.0   60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name SG   )    1.0  -60.0   30.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name CB   ) (resid 31    and name CG   )    1.0  -60.0   30.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name CB   ) (resid 28    and name CG   )    1.0   60.0   30.0 2
assign (resid 28    and name CA   ) (resid 28    and name CB   ) (resid 28    and name CG   ) (resid 28    and name CD1  )    1.0   60.0   30.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           1HT      ASP   1 -12.046  -3.822  -2.405
    2    H2   ASP   1           2HT      ASP   1 -10.815  -2.737  -2.830
    3    H3   ASP   1           3HT      ASP   1 -11.114  -3.077  -1.220
    4    HA   ASP   1           HA       ASP   1 -10.362  -5.302  -1.447
    5    HB2  ASP   1           2HB      ASP   1 -11.089  -5.314  -3.963
    6    HB3  ASP   1           1HB      ASP   1  -9.524  -4.571  -4.260
    7    H    CYS   2           H        CYS   2  -7.875  -5.713  -1.799
    8    HA   CYS   2           HA       CYS   2  -6.639  -3.376  -0.669
    9    HB2  CYS   2           2HB      CYS   2  -4.728  -4.888  -0.268
   10    HB3  CYS   2           1HB      CYS   2  -6.231  -5.464   0.439
   11    H    LEU   3           H        LEU   3  -4.777  -2.439  -1.408
   12    HA   LEU   3           HA       LEU   3  -4.526  -2.230  -4.240
   13    HB2  LEU   3           2HB      LEU   3  -2.677  -1.154  -2.103
   14    HB3  LEU   3           1HB      LEU   3  -2.785  -0.657  -3.776
   15    HG   LEU   3           HG       LEU   3  -4.966  -0.298  -1.766
   16   HD11  LEU   3          1HD1      LEU   3  -4.318   2.079  -1.820
   17   HD12  LEU   3          2HD1      LEU   3  -2.951   1.662  -2.856
   18   HD13  LEU   3          3HD1      LEU   3  -3.025   1.050  -1.201
   19   HD21  LEU   3          3HD2      LEU   3  -4.597   0.768  -4.556
   20   HD22  LEU   3          1HD2      LEU   3  -5.914   1.200  -3.464
   21   HD23  LEU   3          2HD2      LEU   3  -5.755  -0.461  -4.055
   22    H    LYS   4           H        LYS   4  -3.075  -3.154  -5.449
   23    HA   LYS   4           HA       LYS   4  -1.688  -5.393  -4.223
   24    HB2  LYS   4           2HB      LYS   4  -2.552  -4.914  -7.067
   25    HB3  LYS   4           1HB      LYS   4  -1.725  -6.372  -6.510
   26    HG2  LYS   4           2HG      LYS   4  -3.500  -6.884  -4.985
   27    HG3  LYS   4           1HG      LYS   4  -4.288  -5.356  -5.334
   28    HD2  LYS   4           2HD      LYS   4  -4.735  -6.112  -7.609
   29    HD3  LYS   4           1HD      LYS   4  -3.924  -7.646  -7.255
   30    HE2  LYS   4           2HE      LYS   4  -6.369  -7.830  -7.025
   31    HE3  LYS   4           1HE      LYS   4  -5.530  -8.133  -5.506
   32    HZ1  LYS   4           3HZ      LYS   4  -6.036  -5.758  -4.891
   33    HZ2  LYS   4           1HZ      LYS   4  -7.383  -6.732  -5.046
   34    HZ3  LYS   4           2HZ      LYS   4  -7.009  -5.662  -6.267
   35    H    PHE   5           H        PHE   5   0.240  -6.079  -5.847
   36    HA   PHE   5           HA       PHE   5   2.267  -4.302  -5.082
   37    HB2  PHE   5           2HB      PHE   5   2.637  -6.716  -5.364
   38    HB3  PHE   5           1HB      PHE   5   2.392  -6.548  -7.096
   39    HD1  PHE   5           1HD      PHE   5   4.573  -5.547  -4.307
   40    HD2  PHE   5           2HD      PHE   5   4.167  -5.969  -8.506
   41    HE1  PHE   5           1HE      PHE   5   6.979  -5.109  -4.580
   42    HE2  PHE   5           2HE      PHE   5   6.565  -5.534  -8.788
   43    HZ   PHE   5           HZ       PHE   5   7.970  -5.108  -6.839
   44    H    GLY   6           H        GLY   6   2.896  -2.491  -5.907
   45    HA2  GLY   6           2HA      GLY   6   3.696  -1.117  -7.628
   46    HA3  GLY   6           1HA      GLY   6   2.811  -2.093  -8.794
   47    H    TRP   7           H        TRP   7   0.629  -1.650  -6.384
   48    HA   TRP   7           HA       TRP   7  -0.710   0.271  -8.005
   49    HB2  TRP   7           2HB      TRP   7  -1.533  -1.196  -5.512
   50    HB3  TRP   7           1HB      TRP   7  -2.531   0.078  -6.201
   51    HD1  TRP   7           HD       TRP   7  -0.697  -2.520  -8.347
   52    HE1  TRP   7           1HE      TRP   7  -2.444  -3.975  -9.560
   53    HE3  TRP   7           3HE      TRP   7  -4.902  -0.706  -6.126
   54    HZ2  TRP   7           2HZ      TRP   7  -5.259  -4.293  -9.565
   55    HZ3  TRP   7           3HZ      TRP   7  -7.075  -1.625  -6.768
   56    HH2  TRP   7           HH       TRP   7  -7.257  -3.384  -8.460
   57    H    LYS   8           H        LYS   8  -1.323   2.297  -7.408
   58    HA   LYS   8           HA       LYS   8   0.626   3.607  -5.764
   59    HB2  LYS   8           2HB      LYS   8  -1.724   4.811  -7.244
   60    HB3  LYS   8           1HB      LYS   8  -0.336   5.675  -6.598
   61    HG2  LYS   8           2HG      LYS   8  -0.280   3.657  -8.839
   62    HG3  LYS   8           1HG      LYS   8  -0.115   5.407  -8.998
   63    HD2  LYS   8           2HD      LYS   8   1.964   5.344  -7.720
   64    HD3  LYS   8           1HD      LYS   8   1.754   3.612  -7.460
   65    HE2  LYS   8           2HE      LYS   8   2.099   4.919 -10.154
   66    HE3  LYS   8           1HE      LYS   8   3.391   4.142  -9.246
   67    HZ1  LYS   8           3HZ      LYS   8   2.046   2.025  -9.394
   68    HZ2  LYS   8           1HZ      LYS   8   2.545   2.641 -10.882
   69    HZ3  LYS   8           2HZ      LYS   8   0.972   2.854 -10.386
   70    H    CYS   9           H        CYS   9   0.390   4.478  -3.833
   71    HA   CYS   9           HA       CYS   9  -2.201   4.272  -2.470
   72    HB2  CYS   9           2HB      CYS   9  -0.997   3.293  -0.532
   73    HB3  CYS   9           1HB      CYS   9  -0.968   2.247  -1.949
   74    H    ASN  10           H        ASN  10  -1.746   5.215  -0.127
   75    HA   ASN  10           HA       ASN  10  -0.070   7.604  -0.327
   76    HB2  ASN  10           2HB      ASN  10  -2.744   7.239   1.055
   77    HB3  ASN  10           1HB      ASN  10  -1.795   8.671   1.269
   78   HD21  ASN  10          1HD2      ASN  10  -3.859   7.025  -0.518
   79   HD22  ASN  10          2HD2      ASN  10  -4.187   8.125  -1.838
   80    HA   PRO  11           HA       PRO  11   2.127   5.273   2.703
   81    HB2  PRO  11           2HB      PRO  11   3.420   7.435   3.917
   82    HB3  PRO  11           1HB      PRO  11   3.989   6.503   2.529
   83    HG2  PRO  11           2HG      PRO  11   2.561   9.113   2.596
   84    HG3  PRO  11           1HG      PRO  11   3.843   8.567   1.503
   85    HD2  PRO  11           2HD      PRO  11   1.292   8.692   0.730
   86    HD3  PRO  11           1HD      PRO  11   2.358   7.388   0.165
   87    H    ARG  12           H        ARG  12   0.093   7.922   3.775
   88    HA   ARG  12           HA       ARG  12   0.322   7.181   6.543
   89    HB2  ARG  12           2HB      ARG  12  -1.503   9.079   5.132
   90    HB3  ARG  12           1HB      ARG  12  -1.667   8.714   6.841
   91    HG2  ARG  12           2HG      ARG  12   0.676   9.478   7.154
   92    HG3  ARG  12           1HG      ARG  12   0.698   9.961   5.456
   93    HD2  ARG  12           2HD      ARG  12  -1.184  11.467   5.869
   94    HD3  ARG  12           1HD      ARG  12  -1.202  10.965   7.559
   95    HE   ARG  12           HE       ARG  12   1.339  11.932   6.796
   96   HH11  ARG  12          1HH1      ARG  12  -1.902  13.042   7.655
   97   HH12  ARG  12          2HH1      ARG  12  -1.402  14.548   8.270
   98   HH21  ARG  12          1HH2      ARG  12   2.054  13.972   7.617
   99   HH22  ARG  12          2HH2      ARG  12   0.944  15.096   8.268
  100    H    ASN  13           H        ASN  13  -1.777   6.307   3.957
  101    HA   ASN  13           HA       ASN  13  -3.307   4.688   5.866
  102    HB2  ASN  13           2HB      ASN  13  -4.743   6.506   5.011
  103    HB3  ASN  13           1HB      ASN  13  -4.405   5.997   3.363
  104   HD21  ASN  13          1HD2      ASN  13  -6.587   5.635   2.952
  105   HD22  ASN  13          2HD2      ASN  13  -7.435   4.273   3.602
  106    H    ASP  14           H        ASP  14  -2.133   2.902   5.580
  107    HA   ASP  14           HA       ASP  14  -1.398   1.898   3.009
  108    HB2  ASP  14           2HB      ASP  14  -0.174   1.400   5.167
  109    HB3  ASP  14           1HB      ASP  14  -1.534   0.372   5.604
  110    H    LYS  15           H        LYS  15  -2.733   0.987   1.685
  111    HA   LYS  15           HA       LYS  15  -4.933  -0.634   2.743
  112    HB2  LYS  15           2HB      LYS  15  -4.961   1.191   0.333
  113    HB3  LYS  15           1HB      LYS  15  -6.212   0.008   0.653
  114    HG2  LYS  15           2HG      LYS  15  -5.493   2.350   2.420
  115    HG3  LYS  15           1HG      LYS  15  -6.883   2.258   1.339
  116    HD2  LYS  15           2HD      LYS  15  -6.383   0.430   3.707
  117    HD3  LYS  15           1HD      LYS  15  -7.471   1.806   3.704
  118    HE2  LYS  15           2HE      LYS  15  -8.836   0.753   1.968
  119    HE3  LYS  15           1HE      LYS  15  -7.726  -0.612   1.905
  120    HZ1  LYS  15           3HZ      LYS  15  -8.304  -1.154   4.174
  121    HZ2  LYS  15           1HZ      LYS  15  -9.670  -1.119   3.204
  122    HZ3  LYS  15           2HZ      LYS  15  -9.370   0.151   4.271
  123    H    CYS  16           H        CYS  16  -2.136  -1.174   1.847
  124    HA   CYS  16           HA       CYS  16  -2.435  -2.514  -0.666
  125    HB2  CYS  16           2HB      CYS  16  -0.122  -2.612   1.280
  126    HB3  CYS  16           1HB      CYS  16  -0.083  -3.090  -0.407
  127    H    CYS  17           H        CYS  17  -2.022  -4.791  -0.910
  128    HA   CYS  17           HA       CYS  17  -3.602  -6.421   0.700
  129    HB2  CYS  17           2HB      CYS  17  -1.472  -7.163  -1.294
  130    HB3  CYS  17           1HB      CYS  17  -2.662  -8.284  -0.642
  131    H    SER  18           H        SER  18  -2.884  -8.506   1.735
  132    HA   SER  18           HA       SER  18  -1.266  -7.862   3.924
  133    HB2  SER  18           2HB      SER  18  -2.314 -10.543   3.012
  134    HB3  SER  18           1HB      SER  18  -1.793 -10.122   4.650
  135    HG   SER  18           HG       SER  18  -3.445  -8.560   4.705
  136    H    GLY  19           H        GLY  19   0.863  -7.854   4.056
  137    HA2  GLY  19           2HA      GLY  19   2.981  -8.930   3.930
  138    HA3  GLY  19           1HA      GLY  19   2.417  -9.812   2.512
  139    H    LEU  20           H        LEU  20   1.242  -6.866   2.103
  140    HA   LEU  20           HA       LEU  20   3.510  -5.906   0.543
  141    HB2  LEU  20           2HB      LEU  20   1.382  -6.865  -0.522
  142    HB3  LEU  20           1HB      LEU  20   0.576  -5.467   0.143
  143    HG   LEU  20           HG       LEU  20   2.108  -4.040  -1.178
  144   HD11  LEU  20          1HD1      LEU  20   3.291  -5.107  -2.991
  145   HD12  LEU  20          2HD1      LEU  20   2.831  -6.703  -2.345
  146   HD13  LEU  20          3HD1      LEU  20   3.892  -5.641  -1.417
  147   HD21  LEU  20          3HD2      LEU  20   0.469  -6.063  -2.651
  148   HD22  LEU  20          1HD2      LEU  20   1.017  -4.517  -3.281
  149   HD23  LEU  20          2HD2      LEU  20  -0.128  -4.562  -1.933
  150    H    LYS  21           H        LYS  21   3.871  -3.637   0.824
  151    HA   LYS  21           HA       LYS  21   2.126  -2.295   2.738
  152    HB2  LYS  21           2HB      LYS  21   3.941  -3.236   4.057
  153    HB3  LYS  21           1HB      LYS  21   5.126  -2.501   2.981
  154    HG2  LYS  21           2HG      LYS  21   4.346  -0.287   3.665
  155    HG3  LYS  21           1HG      LYS  21   3.194  -1.037   4.762
  156    HD2  LYS  21           2HD      LYS  21   4.994  -2.005   6.040
  157    HD3  LYS  21           1HD      LYS  21   6.187  -1.384   4.900
  158    HE2  LYS  21           2HE      LYS  21   4.346   0.231   6.655
  159    HE3  LYS  21           1HE      LYS  21   6.085   0.035   6.851
  160    HZ1  LYS  21           3HZ      LYS  21   4.703   1.445   4.614
  161    HZ2  LYS  21           1HZ      LYS  21   6.371   1.152   4.671
  162    HZ3  LYS  21           2HZ      LYS  21   5.640   2.115   5.837
  163    H    CYS  22           H        CYS  22   2.079  -0.136   2.539
  164    HA   CYS  22           HA       CYS  22   2.896   0.983   0.015
  165    HB2  CYS  22           2HB      CYS  22   0.749   1.586   1.170
  166    HB3  CYS  22           1HB      CYS  22   1.691   2.348   2.443
  167    H    GLY  23           H        GLY  23   4.843   1.857  -0.332
  168    HA2  GLY  23           2HA      GLY  23   6.694   2.057   1.854
  169    HA3  GLY  23           1HA      GLY  23   7.082   2.412   0.187
  170    H    SER  24           H        SER  24   7.537   3.749   2.753
  171    HA   SER  24           HA       SER  24   5.964   6.111   2.858
  172    HB2  SER  24           2HB      SER  24   7.839   6.843   4.432
  173    HB3  SER  24           1HB      SER  24   6.911   5.410   4.883
  174    HG   SER  24           HG       SER  24   9.453   5.512   4.760
  175    H    ASN  25           H        ASN  25   9.125   5.336   1.541
  176    HA   ASN  25           HA       ASN  25   9.373   8.051   0.491
  177    HB2  ASN  25           2HB      ASN  25  11.674   7.477  -0.122
  178    HB3  ASN  25           1HB      ASN  25  11.392   7.065   1.559
  179   HD21  ASN  25          1HD2      ASN  25  13.440   6.104  -0.189
  180   HD22  ASN  25          2HD2      ASN  25  13.298   4.385  -0.265
  181    H    HIS  26           H        HIS  26   7.579   5.778  -0.367
  182    HA   HIS  26           HA       HIS  26   8.105   6.007  -3.232
  183    HB2  HIS  26           2HB      HIS  26   6.967   3.617  -1.746
  184    HB3  HIS  26           1HB      HIS  26   6.950   3.785  -3.492
  185    HD1  HIS  26           1HD      HIS  26   9.515   3.972  -4.576
  186    HD2  HIS  26           2HD      HIS  26   9.100   2.370  -0.775
  187    HE1  HIS  26           1HE      HIS  26  11.638   2.728  -4.120
  188    H    ASN  27           H        ASN  27   5.793   5.189  -4.232
  189    HA   ASN  27           HA       ASN  27   3.654   6.534  -2.741
  190    HB2  ASN  27           2HB      ASN  27   4.774   8.021  -4.515
  191    HB3  ASN  27           1HB      ASN  27   4.126   6.908  -5.711
  192   HD21  ASN  27          1HD2      ASN  27   3.371   9.280  -3.302
  193   HD22  ASN  27          2HD2      ASN  27   1.763   9.600  -3.808
  194    H    TRP  28           H        TRP  28   4.601   3.823  -3.400
  195    HA   TRP  28           HA       TRP  28   2.114   2.761  -4.404
  196    HB2  TRP  28           2HB      TRP  28   3.294   1.130  -5.930
  197    HB3  TRP  28           1HB      TRP  28   3.279   2.796  -6.475
  198    HD1  TRP  28           HD       TRP  28   5.884   1.744  -3.903
  199    HE1  TRP  28           1HE      TRP  28   8.197   1.735  -5.002
  200    HE3  TRP  28           3HE      TRP  28   4.478   2.416  -8.762
  201    HZ2  TRP  28           2HZ      TRP  28   9.277   1.933  -7.526
  202    HZ3  TRP  28           3HZ      TRP  28   6.237   2.478 -10.486
  203    HH2  TRP  28           HH       TRP  28   8.592   2.242  -9.891
  204    H    CYS  29           H        CYS  29   1.890   0.526  -4.157
  205    HA   CYS  29           HA       CYS  29   2.728  -0.477  -1.628
  206    HB2  CYS  29           2HB      CYS  29   1.153  -1.556  -3.922
  207    HB3  CYS  29           1HB      CYS  29   1.326  -2.490  -2.474
  208    H    LYS  30           H        LYS  30   4.626  -1.466  -1.289
  209    HA   LYS  30           HA       LYS  30   5.801  -3.148  -3.403
  210    HB2  LYS  30           2HB      LYS  30   7.232  -1.450  -1.332
  211    HB3  LYS  30           1HB      LYS  30   8.038  -2.625  -2.356
  212    HG2  LYS  30           2HG      LYS  30   6.523  -0.225  -3.384
  213    HG3  LYS  30           1HG      LYS  30   8.266  -0.265  -3.139
  214    HD2  LYS  30           2HD      LYS  30   6.804  -2.184  -4.955
  215    HD3  LYS  30           1HD      LYS  30   7.475  -0.648  -5.495
  216    HE2  LYS  30           2HE      LYS  30   9.683  -1.339  -4.812
  217    HE3  LYS  30           1HE      LYS  30   9.057  -2.863  -4.191
  218    HZ1  LYS  30           3HZ      LYS  30   9.047  -1.963  -7.024
  219    HZ2  LYS  30           1HZ      LYS  30   8.379  -3.403  -6.484
  220    HZ3  LYS  30           2HZ      LYS  30  10.032  -3.146  -6.375
  221    H    LEU  31           H        LEU  31   7.328  -4.821  -2.340
  222    HA   LEU  31           HA       LEU  31   5.664  -6.359  -0.607
  223    HB2  LEU  31           2HB      LEU  31   8.503  -6.817  -1.511
  224    HB3  LEU  31           1HB      LEU  31   7.531  -7.974  -0.631
  225    HG   LEU  31           HG       LEU  31   6.808  -6.922  -3.364
  226   HD11  LEU  31          1HD1      LEU  31   7.538  -9.091  -4.188
  227   HD12  LEU  31          2HD1      LEU  31   8.072  -9.529  -2.567
  228   HD13  LEU  31          3HD1      LEU  31   8.877  -8.220  -3.437
  229   HD21  LEU  31          3HD2      LEU  31   5.275  -8.826  -3.363
  230   HD22  LEU  31          1HD2      LEU  31   4.897  -7.686  -2.072
  231   HD23  LEU  31          2HD2      LEU  31   5.736  -9.192  -1.702
  232    H    HIS  32           H        HIS  32   5.653  -6.543   1.498
  233    HA   HIS  32           HA       HIS  32   7.055  -4.639   3.041
  234    HB2  HIS  32           2HB      HIS  32   4.773  -5.332   3.607
  235    HB3  HIS  32           1HB      HIS  32   5.325  -6.975   3.887
  236    HD1  HIS  32           1HD      HIS  32   5.283  -7.386   6.369
  237    HD2  HIS  32           2HD      HIS  32   6.584  -3.560   5.415
  238    HE1  HIS  32           1HE      HIS  32   5.853  -6.273   8.549
  239    H    LEU  33           H        LEU  33   8.973  -4.801   3.904
  240    HA   LEU  33           HA       LEU  33   9.977  -7.337   4.821
  241    HB2  LEU  33           2HB      LEU  33  10.783  -7.147   2.483
  242    HB3  LEU  33           1HB      LEU  33  11.488  -5.591   2.857
  243    HG   LEU  33           HG       LEU  33  13.033  -6.707   4.446
  244   HD11  LEU  33          1HD1      LEU  33  11.701  -8.655   5.007
  245   HD12  LEU  33          2HD1      LEU  33  13.269  -9.144   4.368
  246   HD13  LEU  33          3HD1      LEU  33  11.833  -9.245   3.349
  247   HD21  LEU  33          3HD2      LEU  33  13.741  -6.235   2.168
  248   HD22  LEU  33          1HD2      LEU  33  13.078  -7.778   1.626
  249   HD23  LEU  33          2HD2      LEU  33  14.447  -7.747   2.736
  Start of MODEL    2
    1    H1   ASP   1           1HT      ASP   1 -11.418  -4.131  -2.600
    2    H2   ASP   1           2HT      ASP   1 -11.541  -4.623  -0.999
    3    H3   ASP   1           3HT      ASP   1 -12.185  -5.597  -2.219
    4    HA   ASP   1           HA       ASP   1 -10.109  -6.419  -1.340
    5    HB2  ASP   1           2HB      ASP   1  -9.913  -5.351  -4.163
    6    HB3  ASP   1           1HB      ASP   1  -8.791  -6.512  -3.467
    7    H    CYS   2           H        CYS   2  -7.706  -6.103  -1.609
    8    HA   CYS   2           HA       CYS   2  -6.969  -3.534  -0.507
    9    HB2  CYS   2           2HB      CYS   2  -4.787  -4.803  -0.232
   10    HB3  CYS   2           1HB      CYS   2  -6.181  -5.415   0.660
   11    H    LEU   3           H        LEU   3  -4.826  -2.614  -1.261
   12    HA   LEU   3           HA       LEU   3  -4.796  -2.292  -4.110
   13    HB2  LEU   3           2HB      LEU   3  -2.787  -1.297  -2.075
   14    HB3  LEU   3           1HB      LEU   3  -2.965  -0.753  -3.721
   15    HG   LEU   3           HG       LEU   3  -4.992  -0.383  -1.555
   16   HD11  LEU   3          1HD1      LEU   3  -2.980   0.948  -1.154
   17   HD12  LEU   3          2HD1      LEU   3  -4.303   2.000  -1.658
   18   HD13  LEU   3          3HD1      LEU   3  -3.038   1.563  -2.806
   19   HD21  LEU   3          3HD2      LEU   3  -5.900  -0.526  -3.846
   20   HD22  LEU   3          1HD2      LEU   3  -4.860   0.812  -4.310
   21   HD23  LEU   3          2HD2      LEU   3  -6.144   1.069  -3.118
   22    H    LYS   4           H        LYS   4  -3.346  -3.168  -5.473
   23    HA   LYS   4           HA       LYS   4  -1.944  -5.526  -4.470
   24    HB2  LYS   4           2HB      LYS   4  -2.470  -4.614  -7.295
   25    HB3  LYS   4           1HB      LYS   4  -1.720  -6.138  -6.849
   26    HG2  LYS   4           2HG      LYS   4  -3.754  -6.852  -5.750
   27    HG3  LYS   4           1HG      LYS   4  -4.507  -5.293  -6.097
   28    HD2  LYS   4           2HD      LYS   4  -4.299  -5.716  -8.482
   29    HD3  LYS   4           1HD      LYS   4  -3.521  -7.261  -8.153
   30    HE2  LYS   4           2HE      LYS   4  -6.319  -6.479  -7.351
   31    HE3  LYS   4           1HE      LYS   4  -5.910  -7.518  -8.706
   32    HZ1  LYS   4           3HZ      LYS   4  -6.563  -8.847  -6.868
   33    HZ2  LYS   4           1HZ      LYS   4  -5.467  -8.117  -5.819
   34    HZ3  LYS   4           2HZ      LYS   4  -4.911  -9.080  -7.081
   35    H    PHE   5           H        PHE   5   0.140  -6.022  -5.883
   36    HA   PHE   5           HA       PHE   5   2.124  -4.260  -4.990
   37    HB2  PHE   5           2HB      PHE   5   2.542  -6.640  -5.406
   38    HB3  PHE   5           1HB      PHE   5   2.259  -6.392  -7.122
   39    HD1  PHE   5           1HD      PHE   5   4.495  -5.313  -4.343
   40    HD2  PHE   5           2HD      PHE   5   4.052  -5.938  -8.524
   41    HE1  PHE   5           1HE      PHE   5   6.884  -4.897  -4.654
   42    HE2  PHE   5           2HE      PHE   5   6.453  -5.518  -8.840
   43    HZ   PHE   5           HZ       PHE   5   7.868  -5.002  -6.902
   44    H    GLY   6           H        GLY   6   2.924  -2.486  -5.773
   45    HA2  GLY   6           2HA      GLY   6   3.699  -1.044  -7.416
   46    HA3  GLY   6           1HA      GLY   6   2.809  -1.965  -8.623
   47    H    TRP   7           H        TRP   7   0.578  -1.567  -6.277
   48    HA   TRP   7           HA       TRP   7  -0.641   0.515  -7.805
   49    HB2  TRP   7           2HB      TRP   7  -1.548  -1.037  -5.397
   50    HB3  TRP   7           1HB      TRP   7  -2.461   0.335  -6.018
   51    HD1  TRP   7           HD       TRP   7  -0.814  -2.195  -8.398
   52    HE1  TRP   7           1HE      TRP   7  -2.704  -3.460  -9.656
   53    HE3  TRP   7           3HE      TRP   7  -4.831  -0.404  -5.856
   54    HZ2  TRP   7           2HZ      TRP   7  -5.496  -3.660  -9.547
   55    HZ3  TRP   7           3HZ      TRP   7  -7.070  -1.179  -6.477
   56    HH2  TRP   7           HH       TRP   7  -7.395  -2.761  -8.270
   57    H    LYS   8           H        LYS   8  -1.044   2.561  -7.206
   58    HA   LYS   8           HA       LYS   8   0.869   3.762  -5.505
   59    HB2  LYS   8           2HB      LYS   8  -1.620   4.954  -6.735
   60    HB3  LYS   8           1HB      LYS   8  -0.321   5.868  -5.988
   61    HG2  LYS   8           2HG      LYS   8  -0.027   4.128  -8.434
   62    HG3  LYS   8           1HG      LYS   8  -0.189   5.883  -8.451
   63    HD2  LYS   8           2HD      LYS   8   1.901   6.091  -7.191
   64    HD3  LYS   8           1HD      LYS   8   2.041   4.337  -7.111
   65    HE2  LYS   8           2HE      LYS   8   3.488   5.226  -8.854
   66    HE3  LYS   8           1HE      LYS   8   2.212   4.237  -9.549
   67    HZ1  LYS   8           3HZ      LYS   8   2.624   6.284 -10.773
   68    HZ2  LYS   8           1HZ      LYS   8   2.176   7.209  -9.439
   69    HZ3  LYS   8           2HZ      LYS   8   1.042   6.226 -10.207
   70    H    CYS   9           H        CYS   9   0.829   3.956  -3.444
   71    HA   CYS   9           HA       CYS   9  -1.671   3.501  -2.005
   72    HB2  CYS   9           2HB      CYS   9  -0.223   3.014  -0.061
   73    HB3  CYS   9           1HB      CYS   9   0.147   1.967  -1.427
   74    H    ASN  10           H        ASN  10  -1.619   4.725   0.205
   75    HA   ASN  10           HA       ASN  10  -0.996   7.516  -0.386
   76    HB2  ASN  10           2HB      ASN  10  -3.087   6.304   1.456
   77    HB3  ASN  10           1HB      ASN  10  -2.818   8.024   1.227
   78   HD21  ASN  10          1HD2      ASN  10  -5.162   6.294   0.766
   79   HD22  ASN  10          2HD2      ASN  10  -5.605   6.584  -0.886
   80    HA   PRO  11           HA       PRO  11   2.120   6.899   2.752
   81    HB2  PRO  11           2HB      PRO  11   2.228   9.573   3.569
   82    HB3  PRO  11           1HB      PRO  11   3.203   8.839   2.295
   83    HG2  PRO  11           2HG      PRO  11   0.726  10.470   2.084
   84    HG3  PRO  11           1HG      PRO  11   2.124  10.400   1.004
   85    HD2  PRO  11           2HD      PRO  11  -0.203   9.215   0.385
   86    HD3  PRO  11           1HD      PRO  11   1.344   8.493  -0.085
   87    H    ARG  12           H        ARG  12  -0.780   8.776   3.436
   88    HA   ARG  12           HA       ARG  12  -0.459   8.465   6.261
   89    HB2  ARG  12           2HB      ARG  12  -2.768   9.449   4.621
   90    HB3  ARG  12           1HB      ARG  12  -2.795   9.337   6.368
   91    HG2  ARG  12           2HG      ARG  12  -0.944  11.048   4.701
   92    HG3  ARG  12           1HG      ARG  12  -2.295  11.613   5.685
   93    HD2  ARG  12           2HD      ARG  12   0.267  10.337   6.655
   94    HD3  ARG  12           1HD      ARG  12  -0.250  12.002   6.886
   95    HE   ARG  12           HE       ARG  12  -2.246  10.651   8.029
   96   HH11  ARG  12          1HH1      ARG  12   1.260  10.439   8.468
   97   HH12  ARG  12          2HH1      ARG  12   1.181   9.901  10.080
   98   HH21  ARG  12          1HH2      ARG  12  -2.375   9.909  10.218
   99   HH22  ARG  12          2HH2      ARG  12  -0.962   9.584  11.110
  100    H    ASN  13           H        ASN  13  -2.137   6.685   3.772
  101    HA   ASN  13           HA       ASN  13  -2.888   4.788   5.823
  102    HB2  ASN  13           2HB      ASN  13  -5.175   4.502   4.834
  103    HB3  ASN  13           1HB      ASN  13  -4.894   6.028   5.665
  104   HD21  ASN  13          1HD2      ASN  13  -4.895   7.910   4.494
  105   HD22  ASN  13          2HD2      ASN  13  -5.460   8.031   2.875
  106    H    ASP  14           H        ASP  14  -2.002   3.014   5.373
  107    HA   ASP  14           HA       ASP  14  -1.386   2.134   2.693
  108    HB2  ASP  14           2HB      ASP  14   0.166   1.614   4.542
  109    HB3  ASP  14           1HB      ASP  14  -1.128   0.763   5.376
  110    H    LYS  15           H        LYS  15  -2.757   1.009   1.501
  111    HA   LYS  15           HA       LYS  15  -4.798  -0.613   2.857
  112    HB2  LYS  15           2HB      LYS  15  -5.117   0.962   0.287
  113    HB3  LYS  15           1HB      LYS  15  -6.311  -0.150   0.925
  114    HG2  LYS  15           2HG      LYS  15  -5.412   2.444   2.187
  115    HG3  LYS  15           1HG      LYS  15  -6.938   2.163   1.360
  116    HD2  LYS  15           2HD      LYS  15  -6.027   0.877   3.950
  117    HD3  LYS  15           1HD      LYS  15  -7.241   2.136   3.784
  118    HE2  LYS  15           2HE      LYS  15  -7.437  -0.681   2.700
  119    HE3  LYS  15           1HE      LYS  15  -8.262  -0.065   4.125
  120    HZ1  LYS  15           3HZ      LYS  15  -9.715  -0.135   2.224
  121    HZ2  LYS  15           1HZ      LYS  15  -8.691   0.844   1.329
  122    HZ3  LYS  15           2HZ      LYS  15  -9.498   1.466   2.675
  123    H    CYS  16           H        CYS  16  -2.096  -1.207   1.895
  124    HA   CYS  16           HA       CYS  16  -2.394  -2.562  -0.614
  125    HB2  CYS  16           2HB      CYS  16  -0.092  -2.645   1.342
  126    HB3  CYS  16           1HB      CYS  16  -0.052  -3.180  -0.324
  127    H    CYS  17           H        CYS  17  -2.014  -4.797  -0.893
  128    HA   CYS  17           HA       CYS  17  -3.610  -6.440   0.693
  129    HB2  CYS  17           2HB      CYS  17  -1.576  -7.114  -1.404
  130    HB3  CYS  17           1HB      CYS  17  -2.667  -8.302  -0.693
  131    H    SER  18           H        SER  18  -2.900  -8.625   1.552
  132    HA   SER  18           HA       SER  18  -1.224  -8.254   3.740
  133    HB2  SER  18           2HB      SER  18  -2.180 -10.812   2.459
  134    HB3  SER  18           1HB      SER  18  -1.646 -10.605   4.132
  135    HG   SER  18           HG       SER  18  -3.379  -9.104   4.382
  136    H    GLY  19           H        GLY  19   0.924  -8.420   3.888
  137    HA2  GLY  19           2HA      GLY  19   3.058  -9.273   3.489
  138    HA3  GLY  19           1HA      GLY  19   2.436 -10.127   2.077
  139    H    LEU  20           H        LEU  20   1.427  -6.932   2.257
  140    HA   LEU  20           HA       LEU  20   3.518  -6.030   0.425
  141    HB2  LEU  20           2HB      LEU  20   1.121  -6.857  -0.364
  142    HB3  LEU  20           1HB      LEU  20   0.663  -5.264   0.178
  143    HG   LEU  20           HG       LEU  20   2.334  -4.324  -1.412
  144   HD11  LEU  20          1HD1      LEU  20   3.074  -5.880  -3.194
  145   HD12  LEU  20          2HD1      LEU  20   2.455  -7.222  -2.218
  146   HD13  LEU  20          3HD1      LEU  20   3.783  -6.235  -1.616
  147   HD21  LEU  20          3HD2      LEU  20  -0.039  -4.466  -1.929
  148   HD22  LEU  20          1HD2      LEU  20   0.191  -6.112  -2.511
  149   HD23  LEU  20          2HD2      LEU  20   0.950  -4.770  -3.358
  150    H    LYS  21           H        LYS  21   3.919  -3.760   0.718
  151    HA   LYS  21           HA       LYS  21   2.339  -2.375   2.751
  152    HB2  LYS  21           2HB      LYS  21   4.275  -3.556   3.883
  153    HB3  LYS  21           1HB      LYS  21   5.336  -2.536   2.914
  154    HG2  LYS  21           2HG      LYS  21   5.315  -1.262   4.795
  155    HG3  LYS  21           1HG      LYS  21   3.856  -0.625   4.049
  156    HD2  LYS  21           2HD      LYS  21   3.994  -2.769   6.182
  157    HD3  LYS  21           1HD      LYS  21   3.500  -1.099   6.423
  158    HE2  LYS  21           2HE      LYS  21   1.576  -1.487   4.930
  159    HE3  LYS  21           1HE      LYS  21   2.092  -3.163   4.742
  160    HZ1  LYS  21           3HZ      LYS  21   0.371  -3.048   6.378
  161    HZ2  LYS  21           1HZ      LYS  21   1.196  -1.865   7.257
  162    HZ3  LYS  21           2HZ      LYS  21   1.812  -3.424   7.162
  163    H    CYS  22           H        CYS  22   2.292  -0.285   2.433
  164    HA   CYS  22           HA       CYS  22   2.997   0.982   0.045
  165    HB2  CYS  22           2HB      CYS  22   1.239   1.731   1.639
  166    HB3  CYS  22           1HB      CYS  22   2.488   2.177   2.786
  167    H    GLY  23           H        GLY  23   4.831   2.013  -0.597
  168    HA2  GLY  23           2HA      GLY  23   7.226   1.608   0.918
  169    HA3  GLY  23           1HA      GLY  23   7.100   2.366  -0.661
  170    H    SER  24           H        SER  24   8.763   3.261   1.439
  171    HA   SER  24           HA       SER  24   7.619   5.528   2.699
  172    HB2  SER  24           2HB      SER  24  10.087   5.991   3.136
  173    HB3  SER  24           1HB      SER  24   9.481   4.451   3.741
  174    HG   SER  24           HG       SER  24  11.520   4.450   2.548
  175    H    ASN  25           H        ASN  25  10.095   5.136   0.265
  176    HA   ASN  25           HA       ASN  25   9.306   7.641  -1.048
  177    HB2  ASN  25           2HB      ASN  25  11.416   7.504  -2.280
  178    HB3  ASN  25           1HB      ASN  25  11.764   7.273  -0.573
  179   HD21  ASN  25          1HD2      ASN  25  12.493   5.247   0.139
  180   HD22  ASN  25          2HD2      ASN  25  12.981   4.021  -0.974
  181    H    HIS  26           H        HIS  26   8.662   7.569  -3.200
  182    HA   HIS  26           HA       HIS  26   7.338   6.790  -4.847
  183    HB2  HIS  26           2HB      HIS  26   8.812   4.157  -4.424
  184    HB3  HIS  26           1HB      HIS  26   7.681   4.450  -5.710
  185    HD1  HIS  26           1HD      HIS  26  11.182   5.384  -4.612
  186    HD2  HIS  26           2HD      HIS  26   8.577   5.890  -7.788
  187    HE1  HIS  26           1HE      HIS  26  12.571   6.310  -6.497
  188    H    ASN  27           H        ASN  27   5.429   7.015  -3.950
  189    HA   ASN  27           HA       ASN  27   4.609   5.156  -1.980
  190    HB2  ASN  27           2HB      ASN  27   3.375   7.667  -2.995
  191    HB3  ASN  27           1HB      ASN  27   2.388   6.513  -2.097
  192   HD21  ASN  27          1HD2      ASN  27   2.852   6.102   0.028
  193   HD22  ASN  27          2HD2      ASN  27   3.865   7.126   0.976
  194    H    TRP  28           H        TRP  28   4.794   3.393  -3.159
  195    HA   TRP  28           HA       TRP  28   2.217   2.649  -4.196
  196    HB2  TRP  28           2HB      TRP  28   3.346   1.095  -5.846
  197    HB3  TRP  28           1HB      TRP  28   3.397   2.795  -6.254
  198    HD1  TRP  28           HD       TRP  28   5.984   1.411  -3.774
  199    HE1  TRP  28           1HE      TRP  28   8.265   1.343  -4.886
  200    HE3  TRP  28           3HE      TRP  28   4.602   2.593  -8.553
  201    HZ2  TRP  28           2HZ      TRP  28   9.345   1.684  -7.339
  202    HZ3  TRP  28           3HZ      TRP  28   6.374   2.694 -10.263
  203    HH2  TRP  28           HH       TRP  28   8.704   2.255  -9.686
  204    H    CYS  29           H        CYS  29   1.872   0.416  -4.069
  205    HA   CYS  29           HA       CYS  29   2.689  -0.699  -1.594
  206    HB2  CYS  29           2HB      CYS  29   1.138  -1.755  -3.926
  207    HB3  CYS  29           1HB      CYS  29   1.291  -2.671  -2.455
  208    H    LYS  30           H        LYS  30   4.609  -1.584  -1.265
  209    HA   LYS  30           HA       LYS  30   6.023  -2.995  -3.439
  210    HB2  LYS  30           2HB      LYS  30   7.112  -1.887  -0.842
  211    HB3  LYS  30           1HB      LYS  30   8.039  -2.586  -2.156
  212    HG2  LYS  30           2HG      LYS  30   7.470  -0.676  -3.593
  213    HG3  LYS  30           1HG      LYS  30   6.461  -0.021  -2.302
  214    HD2  LYS  30           2HD      LYS  30   8.562   1.124  -2.297
  215    HD3  LYS  30           1HD      LYS  30   8.484   0.099  -0.867
  216    HE2  LYS  30           2HE      LYS  30   9.831  -1.613  -2.088
  217    HE3  LYS  30           1HE      LYS  30   9.953  -0.471  -3.430
  218    HZ1  LYS  30           3HZ      LYS  30  10.963  -0.001  -0.683
  219    HZ2  LYS  30           1HZ      LYS  30  11.087   1.066  -1.973
  220    HZ3  LYS  30           2HZ      LYS  30  11.908  -0.392  -2.030
  221    H    LEU  31           H        LEU  31   7.444  -4.822  -2.476
  222    HA   LEU  31           HA       LEU  31   5.803  -6.663  -1.067
  223    HB2  LEU  31           2HB      LEU  31   8.787  -6.736  -1.555
  224    HB3  LEU  31           1HB      LEU  31   7.806  -8.085  -1.032
  225    HG   LEU  31           HG       LEU  31   7.611  -6.719  -3.720
  226   HD11  LEU  31          1HD1      LEU  31   8.747  -9.398  -2.948
  227   HD12  LEU  31          2HD1      LEU  31   9.666  -7.989  -3.477
  228   HD13  LEU  31          3HD1      LEU  31   8.560  -8.790  -4.592
  229   HD21  LEU  31          3HD2      LEU  31   6.239  -9.187  -2.668
  230   HD22  LEU  31          1HD2      LEU  31   6.133  -8.564  -4.313
  231   HD23  LEU  31          2HD2      LEU  31   5.465  -7.631  -2.972
  232    H    HIS  32           H        HIS  32   5.565  -6.908   1.062
  233    HA   HIS  32           HA       HIS  32   6.922  -5.114   2.839
  234    HB2  HIS  32           2HB      HIS  32   4.561  -5.670   3.242
  235    HB3  HIS  32           1HB      HIS  32   4.975  -7.366   3.419
  236    HD1  HIS  32           1HD      HIS  32   5.105  -8.086   5.814
  237    HD2  HIS  32           2HD      HIS  32   6.019  -4.058   5.340
  238    HE1  HIS  32           1HE      HIS  32   5.505  -7.185   8.124
  239    H    LEU  33           H        LEU  33   8.883  -5.471   3.428
  240    HA   LEU  33           HA       LEU  33   9.853  -8.202   3.755
  241    HB2  LEU  33           2HB      LEU  33  11.374  -5.598   3.518
  242    HB3  LEU  33           1HB      LEU  33  12.089  -7.190   3.639
  243    HG   LEU  33           HG       LEU  33  10.441  -6.166   1.325
  244   HD11  LEU  33          1HD1      LEU  33  12.626  -5.122   1.441
  245   HD12  LEU  33          2HD1      LEU  33  12.546  -6.248   0.087
  246   HD13  LEU  33          3HD1      LEU  33  13.394  -6.704   1.565
  247   HD21  LEU  33          3HD2      LEU  33  11.127  -8.239   0.193
  248   HD22  LEU  33          1HD2      LEU  33  10.145  -8.572   1.619
  249   HD23  LEU  33          2HD2      LEU  33  11.893  -8.792   1.682
  Start of MODEL    3
    1    H1   ASP   1           1HT      ASP   1 -11.489  -3.314  -1.100
    2    H2   ASP   1           2HT      ASP   1 -11.092  -4.647  -0.172
    3    H3   ASP   1           3HT      ASP   1 -12.234  -4.809  -1.412
    4    HA   ASP   1           HA       ASP   1 -10.139  -5.730  -2.101
    5    HB2  ASP   1           2HB      ASP   1  -9.730  -4.395  -4.114
    6    HB3  ASP   1           1HB      ASP   1 -11.454  -4.522  -3.821
    7    H    CYS   2           H        CYS   2  -7.985  -5.770  -1.782
    8    HA   CYS   2           HA       CYS   2  -6.780  -3.469  -0.496
    9    HB2  CYS   2           2HB      CYS   2  -4.838  -5.018  -0.167
   10    HB3  CYS   2           1HB      CYS   2  -6.330  -5.551   0.598
   11    H    LEU   3           H        LEU   3  -4.689  -2.650  -1.276
   12    HA   LEU   3           HA       LEU   3  -4.748  -2.320  -4.120
   13    HB2  LEU   3           2HB      LEU   3  -2.640  -1.403  -2.165
   14    HB3  LEU   3           1HB      LEU   3  -2.855  -0.851  -3.806
   15    HG   LEU   3           HG       LEU   3  -4.789  -0.422  -1.563
   16   HD11  LEU   3          1HD1      LEU   3  -4.073   1.931  -1.731
   17   HD12  LEU   3          2HD1      LEU   3  -2.847   1.453  -2.909
   18   HD13  LEU   3          3HD1      LEU   3  -2.764   0.851  -1.250
   19   HD21  LEU   3          3HD2      LEU   3  -5.895  -0.548  -3.736
   20   HD22  LEU   3          1HD2      LEU   3  -4.779   0.664  -4.367
   21   HD23  LEU   3          2HD2      LEU   3  -5.921   1.095  -3.094
   22    H    LYS   4           H        LYS   4  -3.282  -3.050  -5.577
   23    HA   LYS   4           HA       LYS   4  -1.999  -5.564  -4.879
   24    HB2  LYS   4           2HB      LYS   4  -2.459  -4.227  -7.538
   25    HB3  LYS   4           1HB      LYS   4  -1.834  -5.848  -7.331
   26    HG2  LYS   4           2HG      LYS   4  -3.974  -6.527  -6.317
   27    HG3  LYS   4           1HG      LYS   4  -4.580  -4.882  -6.531
   28    HD2  LYS   4           2HD      LYS   4  -4.239  -5.089  -8.955
   29    HD3  LYS   4           1HD      LYS   4  -3.679  -6.743  -8.719
   30    HE2  LYS   4           2HE      LYS   4  -5.862  -7.371  -7.840
   31    HE3  LYS   4           1HE      LYS   4  -6.419  -5.706  -8.015
   32    HZ1  LYS   4           3HZ      LYS   4  -6.109  -5.884 -10.406
   33    HZ2  LYS   4           1HZ      LYS   4  -7.139  -7.107  -9.882
   34    HZ3  LYS   4           2HZ      LYS   4  -5.528  -7.437 -10.260
   35    H    PHE   5           H        PHE   5   0.068  -5.920  -6.390
   36    HA   PHE   5           HA       PHE   5   2.101  -4.304  -5.288
   37    HB2  PHE   5           2HB      PHE   5   2.444  -6.668  -5.861
   38    HB3  PHE   5           1HB      PHE   5   2.218  -6.295  -7.564
   39    HD1  PHE   5           2HD      PHE   5   4.383  -5.541  -4.656
   40    HD2  PHE   5           1HD      PHE   5   4.058  -5.737  -8.890
   41    HE1  PHE   5           2HE      PHE   5   6.791  -5.149  -4.853
   42    HE2  PHE   5           1HE      PHE   5   6.477  -5.344  -9.098
   43    HZ   PHE   5           HZ       PHE   5   7.850  -5.052  -7.071
   44    H    GLY   6           H        GLY   6   2.935  -2.474  -5.962
   45    HA2  GLY   6           2HA      GLY   6   3.689  -0.872  -7.448
   46    HA3  GLY   6           1HA      GLY   6   2.953  -1.775  -8.764
   47    H    TRP   7           H        TRP   7   0.705  -1.381  -6.281
   48    HA   TRP   7           HA       TRP   7  -0.601   0.665  -7.856
   49    HB2  TRP   7           2HB      TRP   7  -1.508  -1.103  -5.608
   50    HB3  TRP   7           1HB      TRP   7  -2.449   0.312  -6.066
   51    HD1  TRP   7           HD       TRP   7  -0.738  -1.931  -8.694
   52    HE1  TRP   7           1HE      TRP   7  -2.573  -3.045 -10.111
   53    HE3  TRP   7           3HE      TRP   7  -4.827  -0.431  -6.040
   54    HZ2  TRP   7           2HZ      TRP   7  -5.393  -3.257 -10.100
   55    HZ3  TRP   7           3HZ      TRP   7  -7.045  -1.130  -6.793
   56    HH2  TRP   7           HH       TRP   7  -7.330  -2.516  -8.787
   57    H    LYS   8           H        LYS   8  -1.187   2.649  -7.135
   58    HA   LYS   8           HA       LYS   8   0.695   3.776  -5.297
   59    HB2  LYS   8           2HB      LYS   8  -1.588   5.057  -6.807
   60    HB3  LYS   8           1HB      LYS   8  -0.371   5.923  -5.883
   61    HG2  LYS   8           2HG      LYS   8   0.218   4.181  -8.268
   62    HG3  LYS   8           1HG      LYS   8   0.054   5.937  -8.315
   63    HD2  LYS   8           2HD      LYS   8   1.957   6.203  -6.857
   64    HD3  LYS   8           1HD      LYS   8   2.070   4.461  -6.614
   65    HE2  LYS   8           2HE      LYS   8   3.740   5.289  -8.200
   66    HE3  LYS   8           1HE      LYS   8   2.633   4.142  -8.952
   67    HZ1  LYS   8           3HZ      LYS   8   3.069   6.019 -10.368
   68    HZ2  LYS   8           1HZ      LYS   8   2.536   7.100  -9.195
   69    HZ3  LYS   8           2HZ      LYS   8   1.449   6.039  -9.911
   70    H    CYS   9           H        CYS   9   0.442   4.083  -3.283
   71    HA   CYS   9           HA       CYS   9  -2.198   3.677  -2.117
   72    HB2  CYS   9           2HB      CYS   9  -0.883   3.213  -0.031
   73    HB3  CYS   9           1HB      CYS   9  -0.584   2.079  -1.344
   74    H    ASN  10           H        ASN  10  -2.108   4.900   0.208
   75    HA   ASN  10           HA       ASN  10  -1.781   7.710  -0.494
   76    HB2  ASN  10           2HB      ASN  10  -3.206   6.308   1.758
   77    HB3  ASN  10           1HB      ASN  10  -3.039   8.045   1.667
   78   HD21  ASN  10          1HD2      ASN  10  -5.323   6.350   1.736
   79   HD22  ASN  10          2HD2      ASN  10  -6.283   6.692   0.336
   80    HA   PRO  11           HA       PRO  11   1.838   7.792   2.171
   81    HB2  PRO  11           2HB      PRO  11   1.777  10.513   2.684
   82    HB3  PRO  11           1HB      PRO  11   2.515   9.798   1.248
   83    HG2  PRO  11           2HG      PRO  11  -0.174  11.057   1.574
   84    HG3  PRO  11           1HG      PRO  11   0.964  11.180   0.221
   85    HD2  PRO  11           2HD      PRO  11  -1.202   9.604   0.113
   86    HD3  PRO  11           1HD      PRO  11   0.322   9.137  -0.662
   87    H    ARG  12           H        ARG  12  -1.312   8.833   2.863
   88    HA   ARG  12           HA       ARG  12  -0.996   9.367   5.634
   89    HB2  ARG  12           2HB      ARG  12  -3.358   9.062   3.869
   90    HB3  ARG  12           1HB      ARG  12  -3.512   9.269   5.608
   91    HG2  ARG  12           2HG      ARG  12  -2.338  11.366   5.501
   92    HG3  ARG  12           1HG      ARG  12  -2.067  11.152   3.769
   93    HD2  ARG  12           2HD      ARG  12  -3.917  12.634   4.233
   94    HD3  ARG  12           1HD      ARG  12  -4.399  11.155   3.370
   95    HE   ARG  12           HE       ARG  12  -4.687  11.256   6.268
   96   HH11  ARG  12          1HH1      ARG  12  -6.283  11.161   3.081
   97   HH12  ARG  12          2HH1      ARG  12  -7.813  10.786   3.700
   98   HH21  ARG  12          1HH2      ARG  12  -6.827  10.706   7.102
   99   HH22  ARG  12          2HH2      ARG  12  -8.134  10.522   6.032
  100    H    ASN  13           H        ASN  13  -1.986   6.474   3.693
  101    HA   ASN  13           HA       ASN  13  -1.813   4.882   6.013
  102    HB2  ASN  13           2HB      ASN  13  -4.045   4.014   5.985
  103    HB3  ASN  13           1HB      ASN  13  -4.070   5.750   6.277
  104   HD21  ASN  13          1HD2      ASN  13  -6.183   3.997   5.384
  105   HD22  ASN  13          2HD2      ASN  13  -6.728   4.599   3.859
  106    H    ASP  14           H        ASP  14  -1.276   2.911   5.571
  107    HA   ASP  14           HA       ASP  14  -0.721   1.949   2.927
  108    HB2  ASP  14           2HB      ASP  14   0.536   1.268   5.036
  109    HB3  ASP  14           1HB      ASP  14  -0.913   0.389   5.506
  110    H    LYS  15           H        LYS  15  -2.116   0.906   1.618
  111    HA   LYS  15           HA       LYS  15  -4.422  -0.457   2.807
  112    HB2  LYS  15           2HB      LYS  15  -4.434   1.370   0.412
  113    HB3  LYS  15           1HB      LYS  15  -5.747   0.258   0.743
  114    HG2  LYS  15           2HG      LYS  15  -4.839   2.572   2.465
  115    HG3  LYS  15           1HG      LYS  15  -6.326   2.471   1.518
  116    HD2  LYS  15           2HD      LYS  15  -5.614   0.735   3.902
  117    HD3  LYS  15           1HD      LYS  15  -6.760   2.066   3.882
  118    HE2  LYS  15           2HE      LYS  15  -8.211   0.895   2.376
  119    HE3  LYS  15           1HE      LYS  15  -7.021  -0.384   2.151
  120    HZ1  LYS  15           3HZ      LYS  15  -8.801  -1.006   3.661
  121    HZ2  LYS  15           1HZ      LYS  15  -8.372   0.215   4.729
  122    HZ3  LYS  15           2HZ      LYS  15  -7.309  -1.058   4.410
  123    H    CYS  16           H        CYS  16  -1.794  -1.299   1.840
  124    HA   CYS  16           HA       CYS  16  -2.257  -2.662  -0.661
  125    HB2  CYS  16           2HB      CYS  16   0.032  -2.938   1.288
  126    HB3  CYS  16           1HB      CYS  16   0.026  -3.409  -0.404
  127    H    CYS  17           H        CYS  17  -2.023  -5.031  -0.833
  128    HA   CYS  17           HA       CYS  17  -3.663  -6.449   0.971
  129    HB2  CYS  17           2HB      CYS  17  -1.710  -7.529  -1.075
  130    HB3  CYS  17           1HB      CYS  17  -3.011  -8.440  -0.321
  131    H    SER  18           H        SER  18  -2.945  -8.515   2.108
  132    HA   SER  18           HA       SER  18  -0.911  -7.924   3.944
  133    HB2  SER  18           2HB      SER  18  -2.293 -10.547   3.357
  134    HB3  SER  18           1HB      SER  18  -1.452 -10.122   4.853
  135    HG   SER  18           HG       SER  18  -3.005  -8.321   4.970
  136    H    GLY  19           H        GLY  19   1.198  -8.466   3.910
  137    HA2  GLY  19           2HA      GLY  19   3.125  -9.633   3.235
  138    HA3  GLY  19           1HA      GLY  19   2.194 -10.373   1.933
  139    H    LEU  20           H        LEU  20   1.540  -7.119   2.156
  140    HA   LEU  20           HA       LEU  20   3.572  -6.341   0.195
  141    HB2  LEU  20           2HB      LEU  20   1.055  -6.996  -0.477
  142    HB3  LEU  20           1HB      LEU  20   0.750  -5.372   0.080
  143    HG   LEU  20           HG       LEU  20   2.392  -4.558  -1.625
  144   HD11  LEU  20          1HD1      LEU  20   2.979  -6.160  -3.407
  145   HD12  LEU  20          2HD1      LEU  20   2.245  -7.451  -2.437
  146   HD13  LEU  20          3HD1      LEU  20   3.662  -6.601  -1.838
  147   HD21  LEU  20          3HD2      LEU  20   0.904  -4.925  -3.514
  148   HD22  LEU  20          1HD2      LEU  20  -0.022  -4.545  -2.061
  149   HD23  LEU  20          2HD2      LEU  20   0.086  -6.209  -2.627
  150    H    LYS  21           H        LYS  21   4.017  -3.981   0.428
  151    HA   LYS  21           HA       LYS  21   2.772  -2.714   2.765
  152    HB2  LYS  21           2HB      LYS  21   4.765  -3.789   3.643
  153    HB3  LYS  21           1HB      LYS  21   5.754  -2.975   2.426
  154    HG2  LYS  21           2HG      LYS  21   5.046  -0.790   3.441
  155    HG3  LYS  21           1HG      LYS  21   4.261  -1.717   4.717
  156    HD2  LYS  21           2HD      LYS  21   7.203  -1.880   4.065
  157    HD3  LYS  21           1HD      LYS  21   6.522  -0.839   5.310
  158    HE2  LYS  21           2HE      LYS  21   6.206  -3.837   5.241
  159    HE3  LYS  21           1HE      LYS  21   7.450  -2.993   6.153
  160    HZ1  LYS  21           3HZ      LYS  21   5.549  -3.593   7.501
  161    HZ2  LYS  21           1HZ      LYS  21   4.516  -2.644   6.569
  162    HZ3  LYS  21           2HZ      LYS  21   5.751  -1.926   7.456
  163    H    CYS  22           H        CYS  22   2.566  -0.652   2.683
  164    HA   CYS  22           HA       CYS  22   3.523   0.888   0.380
  165    HB2  CYS  22           2HB      CYS  22   1.129   1.026   0.724
  166    HB3  CYS  22           1HB      CYS  22   1.352   1.352   2.435
  167    H    GLY  23           H        GLY  23   5.512   1.590   0.904
  168    HA2  GLY  23           2HA      GLY  23   6.007   2.563   3.617
  169    HA3  GLY  23           1HA      GLY  23   7.229   2.124   2.427
  170    H    SER  24           H        SER  24   8.002   4.317   3.290
  171    HA   SER  24           HA       SER  24   6.676   6.560   2.026
  172    HB2  SER  24           2HB      SER  24   8.516   7.761   3.330
  173    HB3  SER  24           1HB      SER  24   7.272   6.942   4.277
  174    HG   SER  24           HG       SER  24   9.406   6.495   4.985
  175    H    ASN  25           H        ASN  25   9.205   4.372   1.559
  176    HA   ASN  25           HA       ASN  25  11.032   5.970   0.101
  177    HB2  ASN  25           2HB      ASN  25  12.016   3.827  -0.667
  178    HB3  ASN  25           1HB      ASN  25  11.806   3.886   1.075
  179   HD21  ASN  25          1HD2      ASN  25  12.095   1.623  -0.733
  180   HD22  ASN  25          2HD2      ASN  25  10.737   0.600  -0.440
  181    H    HIS  26           H        HIS  26   8.287   4.042  -0.801
  182    HA   HIS  26           HA       HIS  26   8.164   5.469  -3.308
  183    HB2  HIS  26           2HB      HIS  26   8.126   2.419  -3.130
  184    HB3  HIS  26           1HB      HIS  26   7.439   3.294  -4.468
  185    HD1  HIS  26           1HD      HIS  26  10.733   2.184  -3.092
  186    HD2  HIS  26           2HD      HIS  26   9.203   4.639  -6.038
  187    HE1  HIS  26           1HE      HIS  26  12.667   2.700  -4.611
  188    H    ASN  27           H        ASN  27   6.087   5.828  -3.951
  189    HA   ASN  27           HA       ASN  27   4.164   5.537  -1.798
  190    HB2  ASN  27           2HB      ASN  27   4.530   7.736  -2.967
  191    HB3  ASN  27           1HB      ASN  27   3.892   7.012  -4.434
  192   HD21  ASN  27          1HD2      ASN  27   2.620   6.525  -1.147
  193   HD22  ASN  27          2HD2      ASN  27   1.103   7.260  -1.494
  194    H    TRP  28           H        TRP  28   5.002   3.317  -3.511
  195    HA   TRP  28           HA       TRP  28   2.324   2.530  -4.279
  196    HB2  TRP  28           2HB      TRP  28   3.157   1.187  -6.181
  197    HB3  TRP  28           1HB      TRP  28   3.570   2.853  -6.316
  198    HD1  TRP  28           HD       TRP  28   5.513  -0.151  -4.745
  199    HE1  TRP  28           1HE      TRP  28   7.849  -0.176  -5.770
  200    HE3  TRP  28           3HE      TRP  28   5.001   3.804  -7.755
  201    HZ2  TRP  28           2HZ      TRP  28   9.318   1.327  -7.612
  202    HZ3  TRP  28           3HZ      TRP  28   6.941   4.526  -9.185
  203    HH2  TRP  28           HH       TRP  28   9.055   3.292  -9.105
  204    H    CYS  29           H        CYS  29   1.975   0.333  -4.239
  205    HA   CYS  29           HA       CYS  29   2.818  -0.818  -1.761
  206    HB2  CYS  29           2HB      CYS  29   1.090  -1.808  -3.990
  207    HB3  CYS  29           1HB      CYS  29   1.355  -2.758  -2.550
  208    H    LYS  30           H        LYS  30   4.759  -1.699  -1.545
  209    HA   LYS  30           HA       LYS  30   5.881  -3.336  -3.723
  210    HB2  LYS  30           2HB      LYS  30   7.252  -2.249  -1.254
  211    HB3  LYS  30           1HB      LYS  30   8.008  -3.182  -2.528
  212    HG2  LYS  30           2HG      LYS  30   7.390  -1.302  -4.100
  213    HG3  LYS  30           1HG      LYS  30   6.933  -0.382  -2.678
  214    HD2  LYS  30           2HD      LYS  30   9.205   0.192  -3.335
  215    HD3  LYS  30           1HD      LYS  30   9.225  -0.652  -1.785
  216    HE2  LYS  30           2HE      LYS  30   9.845  -2.755  -2.948
  217    HE3  LYS  30           1HE      LYS  30   9.771  -1.878  -4.481
  218    HZ1  LYS  30           3HZ      LYS  30  11.646  -1.224  -2.297
  219    HZ2  LYS  30           1HZ      LYS  30  11.629  -0.601  -3.863
  220    HZ3  LYS  30           2HZ      LYS  30  12.012  -2.214  -3.593
  221    H    LEU  31           H        LEU  31   7.320  -5.187  -2.676
  222    HA   LEU  31           HA       LEU  31   5.521  -6.922  -1.294
  223    HB2  LEU  31           2HB      LEU  31   8.475  -7.201  -1.833
  224    HB3  LEU  31           1HB      LEU  31   7.445  -8.468  -1.208
  225    HG   LEU  31           HG       LEU  31   7.210  -7.211  -3.944
  226   HD11  LEU  31          1HD1      LEU  31   7.984  -9.400  -4.735
  227   HD12  LEU  31          2HD1      LEU  31   8.263  -9.890  -3.062
  228   HD13  LEU  31          3HD1      LEU  31   9.189  -8.562  -3.762
  229   HD21  LEU  31          3HD2      LEU  31   5.040  -7.952  -3.119
  230   HD22  LEU  31          1HD2      LEU  31   5.722  -9.524  -2.695
  231   HD23  LEU  31          2HD2      LEU  31   5.621  -9.031  -4.383
  232    H    HIS  32           H        HIS  32   5.670  -7.730   0.814
  233    HA   HIS  32           HA       HIS  32   6.772  -5.813   2.679
  234    HB2  HIS  32           2HB      HIS  32   4.518  -7.044   2.928
  235    HB3  HIS  32           1HB      HIS  32   5.474  -8.451   3.368
  236    HD1  HIS  32           1HD      HIS  32   6.955  -8.138   5.662
  237    HD2  HIS  32           2HD      HIS  32   4.019  -5.307   4.899
  238    HE1  HIS  32           1HE      HIS  32   6.596  -6.903   7.812
  239    H    LEU  33           H        LEU  33   8.582  -6.123   3.841
  240    HA   LEU  33           HA       LEU  33  10.260  -8.368   3.135
  241    HB2  LEU  33           2HB      LEU  33  10.840  -5.954   4.847
  242    HB3  LEU  33           1HB      LEU  33  12.008  -7.139   4.308
  243    HG   LEU  33           HG       LEU  33  10.508  -5.211   2.531
  244   HD11  LEU  33          1HD1      LEU  33  13.392  -5.313   3.361
  245   HD12  LEU  33          2HD1      LEU  33  12.191  -4.136   3.898
  246   HD13  LEU  33          3HD1      LEU  33  12.680  -4.189   2.205
  247   HD21  LEU  33          3HD2      LEU  33  12.645  -7.230   1.874
  248   HD22  LEU  33          1HD2      LEU  33  11.998  -6.019   0.766
  249   HD23  LEU  33          2HD2      LEU  33  10.951  -7.297   1.376
  Start of MODEL    4
    1    H1   ASP   1           1HT      ASP   1 -11.967  -3.019  -1.489
    2    H2   ASP   1           2HT      ASP   1 -10.683  -2.091  -2.105
    3    H3   ASP   1           3HT      ASP   1 -10.725  -2.468  -0.482
    4    HA   ASP   1           HA       ASP   1 -10.404  -4.792  -0.955
    5    HB2  ASP   1           2HB      ASP   1 -11.471  -4.501  -3.321
    6    HB3  ASP   1           1HB      ASP   1  -9.874  -3.906  -3.779
    7    H    CYS   2           H        CYS   2  -8.108  -5.544  -1.414
    8    HA   CYS   2           HA       CYS   2  -6.463  -3.380  -0.515
    9    HB2  CYS   2           2HB      CYS   2  -4.709  -5.033  -0.183
   10    HB3  CYS   2           1HB      CYS   2  -6.208  -5.517   0.592
   11    H    LEU   3           H        LEU   3  -4.663  -2.622  -1.409
   12    HA   LEU   3           HA       LEU   3  -4.664  -2.452  -4.275
   13    HB2  LEU   3           2HB      LEU   3  -2.684  -1.348  -2.284
   14    HB3  LEU   3           1HB      LEU   3  -2.872  -0.865  -3.952
   15    HG   LEU   3           HG       LEU   3  -4.957  -0.470  -1.826
   16   HD11  LEU   3          1HD1      LEU   3  -4.309   1.893  -1.924
   17   HD12  LEU   3          2HD1      LEU   3  -2.996   1.481  -3.027
   18   HD13  LEU   3          3HD1      LEU   3  -2.981   0.875  -1.371
   19   HD21  LEU   3          3HD2      LEU   3  -6.003   0.996  -3.474
   20   HD22  LEU   3          1HD2      LEU   3  -5.852  -0.653  -4.090
   21   HD23  LEU   3          2HD2      LEU   3  -4.729   0.597  -4.630
   22    H    LYS   4           H        LYS   4  -3.153  -3.269  -5.624
   23    HA   LYS   4           HA       LYS   4  -1.658  -5.547  -4.596
   24    HB2  LYS   4           2HB      LYS   4  -2.161  -4.639  -7.425
   25    HB3  LYS   4           1HB      LYS   4  -1.236  -6.061  -6.990
   26    HG2  LYS   4           2HG      LYS   4  -3.303  -6.948  -5.882
   27    HG3  LYS   4           1HG      LYS   4  -4.175  -5.573  -6.564
   28    HD2  LYS   4           2HD      LYS   4  -4.453  -7.507  -8.019
   29    HD3  LYS   4           1HD      LYS   4  -3.472  -6.290  -8.829
   30    HE2  LYS   4           2HE      LYS   4  -1.441  -7.513  -8.307
   31    HE3  LYS   4           1HE      LYS   4  -2.354  -8.672  -7.347
   32    HZ1  LYS   4           3HZ      LYS   4  -3.442  -9.417  -9.328
   33    HZ2  LYS   4           1HZ      LYS   4  -1.784  -9.512  -9.525
   34    HZ3  LYS   4           2HZ      LYS   4  -2.639  -8.277 -10.287
   35    H    PHE   5           H        PHE   5   0.475  -5.898  -5.868
   36    HA   PHE   5           HA       PHE   5   2.290  -3.946  -5.003
   37    HB2  PHE   5           2HB      PHE   5   2.834  -6.366  -5.342
   38    HB3  PHE   5           1HB      PHE   5   2.739  -6.107  -7.077
   39    HD1  PHE   5           1HD      PHE   5   4.484  -4.880  -8.245
   40    HD2  PHE   5           2HD      PHE   5   4.708  -5.550  -4.056
   41    HE1  PHE   5           1HE      PHE   5   6.857  -4.259  -8.273
   42    HE2  PHE   5           2HE      PHE   5   7.069  -4.936  -4.072
   43    HZ   PHE   5           HZ       PHE   5   8.159  -4.288  -6.182
   44    H    GLY   6           H        GLY   6   2.964  -2.169  -5.902
   45    HA2  GLY   6           2HA      GLY   6   3.649  -0.752  -7.647
   46    HA3  GLY   6           1HA      GLY   6   2.873  -1.834  -8.790
   47    H    TRP   7           H        TRP   7   0.683  -1.278  -6.330
   48    HA   TRP   7           HA       TRP   7  -0.689   0.657  -8.016
   49    HB2  TRP   7           2HB      TRP   7  -1.563  -0.995  -5.649
   50    HB3  TRP   7           1HB      TRP   7  -2.569   0.280  -6.320
   51    HD1  TRP   7           HD       TRP   7  -0.616  -2.059  -8.643
   52    HE1  TRP   7           1HE      TRP   7  -2.309  -3.541  -9.925
   53    HE3  TRP   7           3HE      TRP   7  -4.878  -0.752  -6.176
   54    HZ2  TRP   7           2HZ      TRP   7  -5.062  -4.077  -9.873
   55    HZ3  TRP   7           3HZ      TRP   7  -6.998  -1.791  -6.842
   56    HH2  TRP   7           HH       TRP   7  -7.089  -3.418  -8.654
   57    H    LYS   8           H        LYS   8  -1.312   2.705  -7.262
   58    HA   LYS   8           HA       LYS   8   0.497   3.941  -5.486
   59    HB2  LYS   8           2HB      LYS   8  -2.123   4.939  -6.596
   60    HB3  LYS   8           1HB      LYS   8  -1.061   5.907  -5.594
   61    HG2  LYS   8           2HG      LYS   8  -0.389   4.750  -8.286
   62    HG3  LYS   8           1HG      LYS   8  -0.794   6.434  -7.942
   63    HD2  LYS   8           2HD      LYS   8   1.194   6.507  -6.416
   64    HD3  LYS   8           1HD      LYS   8   1.618   4.894  -6.984
   65    HE2  LYS   8           2HE      LYS   8   1.425   7.404  -8.640
   66    HE3  LYS   8           1HE      LYS   8   2.889   6.541  -8.192
   67    HZ1  LYS   8           3HZ      LYS   8   2.119   4.643  -9.492
   68    HZ2  LYS   8           1HZ      LYS   8   2.255   6.021 -10.436
   69    HZ3  LYS   8           2HZ      LYS   8   0.735   5.495  -9.959
   70    H    CYS   9           H        CYS   9   0.492   4.199  -3.451
   71    HA   CYS   9           HA       CYS   9  -1.912   3.570  -1.884
   72    HB2  CYS   9           2HB      CYS   9  -0.349   2.778  -0.152
   73    HB3  CYS   9           1HB      CYS   9  -0.143   1.869  -1.647
   74    H    ASN  10           H        ASN  10  -1.498   4.677   0.431
   75    HA   ASN  10           HA       ASN  10  -0.220   7.258  -0.028
   76    HB2  ASN  10           2HB      ASN  10  -2.754   6.659   1.519
   77    HB3  ASN  10           1HB      ASN  10  -1.881   8.183   1.621
   78   HD21  ASN  10          1HD2      ASN  10  -4.599   7.640   0.735
   79   HD22  ASN  10          2HD2      ASN  10  -4.705   8.233  -0.877
   80    HA   PRO  11           HA       PRO  11   2.449   5.924   3.207
   81    HB2  PRO  11           2HB      PRO  11   2.934   8.423   4.347
   82    HB3  PRO  11           1HB      PRO  11   3.840   7.715   3.010
   83    HG2  PRO  11           2HG      PRO  11   1.630   9.709   2.961
   84    HG3  PRO  11           1HG      PRO  11   3.061   9.596   1.927
   85    HD2  PRO  11           2HD      PRO  11   0.648   8.853   1.051
   86    HD3  PRO  11           1HD      PRO  11   2.111   7.965   0.574
   87    H    ARG  12           H        ARG  12  -0.186   8.114   3.987
   88    HA   ARG  12           HA       ARG  12  -0.170   7.247   6.751
   89    HB2  ARG  12           2HB      ARG  12  -1.880   9.191   5.258
   90    HB3  ARG  12           1HB      ARG  12  -2.191   8.725   6.918
   91    HG2  ARG  12           2HG      ARG  12   0.312  10.059   5.888
   92    HG3  ARG  12           1HG      ARG  12  -0.979  10.846   6.801
   93    HD2  ARG  12           2HD      ARG  12   0.876   8.667   7.773
   94    HD3  ARG  12           1HD      ARG  12   0.828  10.345   8.295
   95    HE   ARG  12           HE       ARG  12  -1.672   9.482   8.822
   96   HH11  ARG  12          1HH1      ARG  12   1.525   8.269   9.763
   97   HH12  ARG  12          2HH1      ARG  12   0.978   7.523  11.183
   98   HH21  ARG  12          1HH2      ARG  12  -2.414   8.481  10.755
   99   HH22  ARG  12          2HH2      ARG  12  -1.307   7.655  11.778
  100    H    ASN  13           H        ASN  13  -1.916   6.583   3.842
  101    HA   ASN  13           HA       ASN  13  -3.685   4.829   5.395
  102    HB2  ASN  13           2HB      ASN  13  -4.996   6.682   4.418
  103    HB3  ASN  13           1HB      ASN  13  -4.406   6.257   2.816
  104   HD21  ASN  13          1HD2      ASN  13  -6.466   5.860   2.036
  105   HD22  ASN  13          2HD2      ASN  13  -7.386   4.476   2.481
  106    H    ASP  14           H        ASP  14  -2.477   3.081   5.210
  107    HA   ASP  14           HA       ASP  14  -1.525   2.160   2.626
  108    HB2  ASP  14           2HB      ASP  14  -0.188   1.853   4.746
  109    HB3  ASP  14           1HB      ASP  14  -1.456   0.774   5.310
  110    H    LYS  15           H        LYS  15  -2.863   1.079   1.381
  111    HA   LYS  15           HA       LYS  15  -4.913  -0.600   2.644
  112    HB2  LYS  15           2HB      LYS  15  -5.092   0.995   0.089
  113    HB3  LYS  15           1HB      LYS  15  -6.266  -0.213   0.571
  114    HG2  LYS  15           2HG      LYS  15  -5.627   2.324   2.077
  115    HG3  LYS  15           1HG      LYS  15  -7.021   2.070   1.029
  116    HD2  LYS  15           2HD      LYS  15  -6.418   0.541   3.577
  117    HD3  LYS  15           1HD      LYS  15  -7.598   1.833   3.413
  118    HE2  LYS  15           2HE      LYS  15  -7.695  -0.825   1.957
  119    HE3  LYS  15           1HE      LYS  15  -8.644  -0.388   3.371
  120    HZ1  LYS  15           3HZ      LYS  15  -8.809   0.966   0.727
  121    HZ2  LYS  15           1HZ      LYS  15  -9.725   1.336   2.094
  122    HZ3  LYS  15           2HZ      LYS  15  -9.909  -0.150   1.325
  123    H    CYS  16           H        CYS  16  -2.118  -1.165   1.747
  124    HA   CYS  16           HA       CYS  16  -2.406  -2.614  -0.711
  125    HB2  CYS  16           2HB      CYS  16  -0.129  -2.697   1.284
  126    HB3  CYS  16           1HB      CYS  16  -0.068  -3.192  -0.398
  127    H    CYS  17           H        CYS  17  -2.004  -4.951  -0.850
  128    HA   CYS  17           HA       CYS  17  -3.649  -6.451   0.874
  129    HB2  CYS  17           2HB      CYS  17  -1.596  -7.374  -1.141
  130    HB3  CYS  17           1HB      CYS  17  -2.804  -8.416  -0.406
  131    H    SER  18           H        SER  18  -2.908  -8.544   1.952
  132    HA   SER  18           HA       SER  18  -1.160  -7.902   4.047
  133    HB2  SER  18           2HB      SER  18  -3.051  -9.529   4.236
  134    HB3  SER  18           1HB      SER  18  -2.161 -10.641   3.202
  135    HG   SER  18           HG       SER  18  -1.611  -9.817   5.830
  136    H    GLY  19           H        GLY  19   0.972  -8.212   4.272
  137    HA2  GLY  19           2HA      GLY  19   3.081  -9.135   3.868
  138    HA3  GLY  19           1HA      GLY  19   2.405 -10.017   2.498
  139    H    LEU  20           H        LEU  20   1.309  -6.946   2.299
  140    HA   LEU  20           HA       LEU  20   3.514  -6.055   0.584
  141    HB2  LEU  20           2HB      LEU  20   1.111  -6.895  -0.269
  142    HB3  LEU  20           1HB      LEU  20   0.666  -5.275   0.195
  143    HG   LEU  20           HG       LEU  20   2.429  -4.431  -1.370
  144   HD11  LEU  20          1HD1      LEU  20   2.479  -7.350  -2.088
  145   HD12  LEU  20          2HD1      LEU  20   3.834  -6.383  -1.495
  146   HD13  LEU  20          3HD1      LEU  20   3.138  -6.070  -3.095
  147   HD21  LEU  20          3HD2      LEU  20   0.061  -4.513  -1.981
  148   HD22  LEU  20          1HD2      LEU  20   0.272  -6.176  -2.532
  149   HD23  LEU  20          2HD2      LEU  20   1.110  -4.860  -3.354
  150    H    LYS  21           H        LYS  21   3.707  -3.653   0.696
  151    HA   LYS  21           HA       LYS  21   2.131  -2.317   2.737
  152    HB2  LYS  21           2HB      LYS  21   4.023  -3.400   3.975
  153    HB3  LYS  21           1HB      LYS  21   5.136  -2.472   2.970
  154    HG2  LYS  21           2HG      LYS  21   4.284  -0.405   3.891
  155    HG3  LYS  21           1HG      LYS  21   3.095  -1.287   4.839
  156    HD2  LYS  21           2HD      LYS  21   4.935  -0.653   6.259
  157    HD3  LYS  21           1HD      LYS  21   4.947  -2.400   6.052
  158    HE2  LYS  21           2HE      LYS  21   6.740  -2.279   4.474
  159    HE3  LYS  21           1HE      LYS  21   6.646  -0.522   4.416
  160    HZ1  LYS  21           3HZ      LYS  21   7.442  -2.105   6.822
  161    HZ2  LYS  21           1HZ      LYS  21   7.414  -0.427   6.692
  162    HZ3  LYS  21           2HZ      LYS  21   8.494  -1.346   5.780
  163    H    CYS  22           H        CYS  22   2.206  -0.110   2.547
  164    HA   CYS  22           HA       CYS  22   2.781   0.981   0.016
  165    HB2  CYS  22           2HB      CYS  22   1.095   1.860   1.646
  166    HB3  CYS  22           1HB      CYS  22   2.421   2.416   2.659
  167    H    GLY  23           H        GLY  23   4.653   1.824  -0.780
  168    HA2  GLY  23           2HA      GLY  23   7.044   1.445   0.754
  169    HA3  GLY  23           1HA      GLY  23   6.934   2.024  -0.899
  170    H    SER  24           H        SER  24   8.758   3.100   0.746
  171    HA   SER  24           HA       SER  24   7.653   5.674   1.556
  172    HB2  SER  24           2HB      SER  24   9.971   5.923   2.613
  173    HB3  SER  24           1HB      SER  24   8.895   4.714   3.317
  174    HG   SER  24           HG       SER  24  10.009   3.139   2.435
  175    H    ASN  25           H        ASN  25  10.333   4.326  -0.311
  176    HA   ASN  25           HA       ASN  25  11.039   6.876  -1.430
  177    HB2  ASN  25           2HB      ASN  25  12.701   5.691  -2.744
  178    HB3  ASN  25           1HB      ASN  25  12.736   5.094  -1.094
  179   HD21  ASN  25          1HD2      ASN  25  13.634   3.895  -3.584
  180   HD22  ASN  25          2HD2      ASN  25  12.849   2.372  -3.716
  181    H    HIS  26           H        HIS  26   8.665   4.682  -2.091
  182    HA   HIS  26           HA       HIS  26   8.096   5.982  -4.609
  183    HB2  HIS  26           2HB      HIS  26   8.220   2.991  -4.193
  184    HB3  HIS  26           1HB      HIS  26   7.188   3.689  -5.427
  185    HD1  HIS  26           1HD      HIS  26  10.522   2.324  -5.077
  186    HD2  HIS  26           2HD      HIS  26   8.741   5.474  -7.070
  187    HE1  HIS  26           1HE      HIS  26  12.106   2.931  -6.916
  188    H    ASN  27           H        ASN  27   5.815   5.792  -5.164
  189    HA   ASN  27           HA       ASN  27   4.314   5.966  -2.666
  190    HB2  ASN  27           2HB      ASN  27   4.463   7.987  -4.185
  191    HB3  ASN  27           1HB      ASN  27   3.559   7.075  -5.384
  192   HD21  ASN  27          1HD2      ASN  27   2.974   7.034  -1.894
  193   HD22  ASN  27          2HD2      ASN  27   1.404   7.728  -1.992
  194    H    TRP  28           H        TRP  28   4.956   3.550  -4.173
  195    HA   TRP  28           HA       TRP  28   2.224   2.686  -4.682
  196    HB2  TRP  28           2HB      TRP  28   3.046   1.000  -6.303
  197    HB3  TRP  28           1HB      TRP  28   3.428   2.625  -6.766
  198    HD1  TRP  28           HD       TRP  28   5.499   0.185  -4.538
  199    HE1  TRP  28           1HE      TRP  28   7.833  -0.050  -5.588
  200    HE3  TRP  28           3HE      TRP  28   4.780   3.017  -8.626
  201    HZ2  TRP  28           2HZ      TRP  28   9.187   0.845  -7.824
  202    HZ3  TRP  28           3HZ      TRP  28   6.666   3.307 -10.247
  203    HH2  TRP  28           HH       TRP  28   8.822   2.234  -9.847
  204    H    CYS  29           H        CYS  29   1.815   0.517  -4.311
  205    HA   CYS  29           HA       CYS  29   2.650  -0.413  -1.763
  206    HB2  CYS  29           2HB      CYS  29   1.048  -1.610  -3.982
  207    HB3  CYS  29           1HB      CYS  29   1.312  -2.522  -2.526
  208    H    LYS  30           H        LYS  30   4.467  -1.379  -1.306
  209    HA   LYS  30           HA       LYS  30   5.922  -2.909  -3.359
  210    HB2  LYS  30           2HB      LYS  30   6.976  -1.562  -0.856
  211    HB3  LYS  30           1HB      LYS  30   7.926  -2.408  -2.064
  212    HG2  LYS  30           2HG      LYS  30   7.385  -0.675  -3.704
  213    HG3  LYS  30           1HG      LYS  30   6.404   0.157  -2.496
  214    HD2  LYS  30           2HD      LYS  30   8.542   1.244  -2.608
  215    HD3  LYS  30           1HD      LYS  30   8.451   0.361  -1.084
  216    HE2  LYS  30           2HE      LYS  30   9.731  -1.489  -2.147
  217    HE3  LYS  30           1HE      LYS  30   9.880  -0.487  -3.590
  218    HZ1  LYS  30           3HZ      LYS  30  10.953   0.130  -0.900
  219    HZ2  LYS  30           1HZ      LYS  30  11.050   1.170  -2.222
  220    HZ3  LYS  30           2HZ      LYS  30  11.853  -0.308  -2.242
  221    H    LEU  31           H        LEU  31   7.569  -4.345  -1.748
  222    HA   LEU  31           HA       LEU  31   5.851  -6.296  -0.576
  223    HB2  LEU  31           2HB      LEU  31   8.841  -5.956  -0.296
  224    HB3  LEU  31           1HB      LEU  31   7.936  -7.413   0.066
  225    HG   LEU  31           HG       LEU  31   8.332  -6.198  -2.671
  226   HD11  LEU  31          1HD1      LEU  31   9.489  -8.683  -1.433
  227   HD12  LEU  31          2HD1      LEU  31  10.357  -7.192  -1.802
  228   HD13  LEU  31          3HD1      LEU  31   9.692  -8.171  -3.109
  229   HD21  LEU  31          3HD2      LEU  31   6.166  -7.328  -2.502
  230   HD22  LEU  31          1HD2      LEU  31   6.965  -8.772  -1.875
  231   HD23  LEU  31          2HD2      LEU  31   7.278  -8.232  -3.526
  232    H    HIS  32           H        HIS  32   5.873  -6.897   1.748
  233    HA   HIS  32           HA       HIS  32   5.827  -4.481   3.324
  234    HB2  HIS  32           2HB      HIS  32   4.108  -6.396   3.447
  235    HB3  HIS  32           1HB      HIS  32   5.331  -7.231   4.404
  236    HD1  HIS  32           1HD      HIS  32   2.465  -5.087   4.804
  237    HD2  HIS  32           2HD      HIS  32   6.099  -5.555   6.759
  238    HE1  HIS  32           1HE      HIS  32   2.181  -4.034   7.064
  239    H    LEU  33           H        LEU  33   7.983  -4.050   3.231
  240    HA   LEU  33           HA       LEU  33   9.666  -5.645   5.037
  241    HB2  LEU  33           2HB      LEU  33  10.543  -3.656   2.932
  242    HB3  LEU  33           1HB      LEU  33  11.593  -4.654   3.911
  243    HG   LEU  33           HG       LEU  33   9.724  -5.619   1.743
  244   HD11  LEU  33          1HD1      LEU  33  11.772  -6.190   0.551
  245   HD12  LEU  33          2HD1      LEU  33  12.728  -5.499   1.860
  246   HD13  LEU  33          3HD1      LEU  33  11.683  -4.461   0.892
  247   HD21  LEU  33          3HD2      LEU  33  11.670  -7.191   3.440
  248   HD22  LEU  33          1HD2      LEU  33  10.740  -7.819   2.082
  249   HD23  LEU  33          2HD2      LEU  33   9.910  -7.279   3.541
  Start of MODEL    5
    1    H1   ASP   1           1HT      ASP   1 -11.074  -2.691  -2.288
    2    H2   ASP   1           2HT      ASP   1 -10.974  -3.449  -0.811
    3    H3   ASP   1           3HT      ASP   1 -12.151  -3.965  -1.937
    4    HA   ASP   1           HA       ASP   1 -10.306  -5.497  -1.944
    5    HB2  ASP   1           2HB      ASP   1  -9.570  -5.288  -4.282
    6    HB3  ASP   1           1HB      ASP   1 -11.284  -4.917  -4.161
    7    H    CYS   2           H        CYS   2  -8.011  -5.815  -1.914
    8    HA   CYS   2           HA       CYS   2  -6.706  -3.493  -0.801
    9    HB2  CYS   2           2HB      CYS   2  -4.842  -5.028  -0.268
   10    HB3  CYS   2           1HB      CYS   2  -6.367  -5.555   0.419
   11    H    LEU   3           H        LEU   3  -4.762  -2.671  -1.533
   12    HA   LEU   3           HA       LEU   3  -4.641  -2.538  -4.384
   13    HB2  LEU   3           2HB      LEU   3  -2.743  -1.403  -2.343
   14    HB3  LEU   3           1HB      LEU   3  -2.892  -0.927  -4.016
   15    HG   LEU   3           HG       LEU   3  -5.025  -0.557  -1.940
   16   HD11  LEU   3          1HD1      LEU   3  -3.060   1.407  -3.111
   17   HD12  LEU   3          2HD1      LEU   3  -3.080   0.796  -1.452
   18   HD13  LEU   3          3HD1      LEU   3  -4.400   1.812  -2.035
   19   HD21  LEU   3          3HD2      LEU   3  -5.857  -0.769  -4.238
   20   HD22  LEU   3          1HD2      LEU   3  -4.770   0.519  -4.743
   21   HD23  LEU   3          2HD2      LEU   3  -6.087   0.872  -3.617
   22    H    LYS   4           H        LYS   4  -3.154  -3.397  -5.682
   23    HA   LYS   4           HA       LYS   4  -1.679  -5.698  -4.649
   24    HB2  LYS   4           2HB      LYS   4  -2.127  -4.801  -7.495
   25    HB3  LYS   4           1HB      LYS   4  -1.377  -6.308  -7.007
   26    HG2  LYS   4           2HG      LYS   4  -3.489  -7.036  -6.015
   27    HG3  LYS   4           1HG      LYS   4  -4.233  -5.505  -6.497
   28    HD2  LYS   4           2HD      LYS   4  -3.706  -6.018  -8.851
   29    HD3  LYS   4           1HD      LYS   4  -3.039  -7.567  -8.346
   30    HE2  LYS   4           2HE      LYS   4  -5.233  -8.220  -7.474
   31    HE3  LYS   4           1HE      LYS   4  -5.887  -6.663  -7.975
   32    HZ1  LYS   4           3HZ      LYS   4  -6.377  -8.396  -9.599
   33    HZ2  LYS   4           1HZ      LYS   4  -4.737  -8.700  -9.802
   34    HZ3  LYS   4           2HZ      LYS   4  -5.388  -7.230 -10.276
   35    H    PHE   5           H        PHE   5   0.451  -6.132  -5.901
   36    HA   PHE   5           HA       PHE   5   2.331  -4.226  -5.045
   37    HB2  PHE   5           2HB      PHE   5   2.851  -6.621  -5.187
   38    HB3  PHE   5           1HB      PHE   5   2.687  -6.561  -6.934
   39    HD1  PHE   5           2HD      PHE   5   4.610  -4.932  -4.193
   40    HD2  PHE   5           1HD      PHE   5   4.601  -6.329  -8.208
   41    HE1  PHE   5           2HE      PHE   5   6.979  -4.387  -4.379
   42    HE2  PHE   5           1HE      PHE   5   6.986  -5.778  -8.405
   43    HZ   PHE   5           HZ       PHE   5   8.184  -4.805  -6.491
   44    H    GLY   6           H        GLY   6   2.799  -2.365  -5.914
   45    HA2  GLY   6           2HA      GLY   6   3.725  -1.121  -7.723
   46    HA3  GLY   6           1HA      GLY   6   2.824  -2.142  -8.836
   47    H    TRP   7           H        TRP   7   0.596  -1.644  -6.552
   48    HA   TRP   7           HA       TRP   7  -0.645   0.430  -8.138
   49    HB2  TRP   7           2HB      TRP   7  -1.607  -1.139  -5.744
   50    HB3  TRP   7           1HB      TRP   7  -2.535   0.148  -6.511
   51    HD1  TRP   7           HD       TRP   7  -0.629  -2.287  -8.737
   52    HE1  TRP   7           1HE      TRP   7  -2.310  -3.783  -9.966
   53    HE3  TRP   7           3HE      TRP   7  -4.877  -0.902  -6.284
   54    HZ2  TRP   7           2HZ      TRP   7  -5.087  -4.304  -9.902
   55    HZ3  TRP   7           3HZ      TRP   7  -7.005  -1.951  -6.925
   56    HH2  TRP   7           HH       TRP   7  -7.107  -3.609  -8.692
   57    H    LYS   8           H        LYS   8  -1.045   2.466  -7.461
   58    HA   LYS   8           HA       LYS   8   0.807   3.412  -5.523
   59    HB2  LYS   8           2HB      LYS   8  -1.207   4.864  -7.161
   60    HB3  LYS   8           1HB      LYS   8  -0.211   5.665  -5.957
   61    HG2  LYS   8           2HG      LYS   8   1.755   4.596  -7.257
   62    HG3  LYS   8           1HG      LYS   8   0.564   4.444  -8.558
   63    HD2  LYS   8           2HD      LYS   8   0.061   6.820  -8.371
   64    HD3  LYS   8           1HD      LYS   8   1.227   6.917  -7.047
   65    HE2  LYS   8           2HE      LYS   8   3.012   6.208  -8.611
   66    HE3  LYS   8           1HE      LYS   8   1.830   6.230  -9.918
   67    HZ1  LYS   8           3HZ      LYS   8   3.114   8.234  -9.897
   68    HZ2  LYS   8           1HZ      LYS   8   2.684   8.568  -8.310
   69    HZ3  LYS   8           2HZ      LYS   8   1.520   8.613  -9.533
   70    H    CYS   9           H        CYS   9   0.382   4.813  -3.803
   71    HA   CYS   9           HA       CYS   9  -2.171   4.712  -2.495
   72    HB2  CYS   9           2HB      CYS   9  -1.329   3.466  -0.516
   73    HB3  CYS   9           1HB      CYS   9  -1.366   2.467  -1.967
   74    H    ASN  10           H        ASN  10  -1.723   5.527  -0.119
   75    HA   ASN  10           HA       ASN  10   0.272   7.674  -0.243
   76    HB2  ASN  10           2HB      ASN  10  -2.406   7.589   1.168
   77    HB3  ASN  10           1HB      ASN  10  -1.223   8.870   1.375
   78   HD21  ASN  10          1HD2      ASN  10  -3.955   8.927   0.420
   79   HD22  ASN  10          2HD2      ASN  10  -3.920   9.646  -1.143
   80    HA   PRO  11           HA       PRO  11   2.085   5.286   3.028
   81    HB2  PRO  11           2HB      PRO  11   3.705   7.209   4.107
   82    HB3  PRO  11           1HB      PRO  11   4.074   6.357   2.603
   83    HG2  PRO  11           2HG      PRO  11   2.833   9.052   2.994
   84    HG3  PRO  11           1HG      PRO  11   4.098   8.564   1.850
   85    HD2  PRO  11           2HD      PRO  11   1.544   8.854   1.080
   86    HD3  PRO  11           1HD      PRO  11   2.576   7.578   0.399
   87    H    ARG  12           H        ARG  12   0.092   7.882   3.491
   88    HA   ARG  12           HA       ARG  12   0.110   8.067   6.357
   89    HB2  ARG  12           2HB      ARG  12  -1.707   9.110   4.231
   90    HB3  ARG  12           1HB      ARG  12  -1.960   9.386   5.945
   91    HG2  ARG  12           2HG      ARG  12   0.195  10.535   6.075
   92    HG3  ARG  12           1HG      ARG  12   0.468  10.214   4.360
   93    HD2  ARG  12           2HD      ARG  12  -1.858  11.727   5.462
   94    HD3  ARG  12           1HD      ARG  12  -0.382  12.500   4.869
   95    HE   ARG  12           HE       ARG  12  -0.894  11.551   2.677
   96   HH11  ARG  12          1HH1      ARG  12  -3.620  11.733   4.950
   97   HH12  ARG  12          2HH1      ARG  12  -4.802  11.730   3.731
   98   HH21  ARG  12          1HH2      ARG  12  -2.517  11.611   1.034
   99   HH22  ARG  12          2HH2      ARG  12  -4.166  11.672   1.442
  100    H    ASN  13           H        ASN  13  -1.556   6.216   3.932
  101    HA   ASN  13           HA       ASN  13  -3.062   4.781   5.983
  102    HB2  ASN  13           2HB      ASN  13  -4.602   6.539   5.232
  103    HB3  ASN  13           1HB      ASN  13  -4.351   6.067   3.558
  104   HD21  ASN  13          1HD2      ASN  13  -6.491   5.685   3.211
  105   HD22  ASN  13          2HD2      ASN  13  -7.367   4.377   3.895
  106    H    ASP  14           H        ASP  14  -2.027   2.897   5.625
  107    HA   ASP  14           HA       ASP  14  -1.256   1.952   3.026
  108    HB2  ASP  14           2HB      ASP  14  -0.128   1.330   5.240
  109    HB3  ASP  14           1HB      ASP  14  -1.536   0.322   5.544
  110    H    LYS  15           H        LYS  15  -2.500   0.912   1.644
  111    HA   LYS  15           HA       LYS  15  -4.901  -0.475   2.626
  112    HB2  LYS  15           2HB      LYS  15  -4.671   1.254   0.158
  113    HB3  LYS  15           1HB      LYS  15  -6.064   0.264   0.553
  114    HG2  LYS  15           2HG      LYS  15  -5.040   2.602   2.170
  115    HG3  LYS  15           1HG      LYS  15  -6.427   2.638   1.087
  116    HD2  LYS  15           2HD      LYS  15  -6.180   0.911   3.559
  117    HD3  LYS  15           1HD      LYS  15  -7.057   2.433   3.454
  118    HE2  LYS  15           2HE      LYS  15  -7.677  -0.039   1.832
  119    HE3  LYS  15           1HE      LYS  15  -8.523   0.452   3.289
  120    HZ1  LYS  15           3HZ      LYS  15  -9.721   1.127   1.309
  121    HZ2  LYS  15           1HZ      LYS  15  -8.427   2.052   0.767
  122    HZ3  LYS  15           2HZ      LYS  15  -9.243   2.467   2.174
  123    H    CYS  16           H        CYS  16  -2.103  -1.186   1.758
  124    HA   CYS  16           HA       CYS  16  -2.471  -2.636  -0.705
  125    HB2  CYS  16           2HB      CYS  16  -0.147  -2.661   1.226
  126    HB3  CYS  16           1HB      CYS  16  -0.136  -3.253  -0.428
  127    H    CYS  17           H        CYS  17  -2.061  -4.975  -0.807
  128    HA   CYS  17           HA       CYS  17  -3.658  -6.442   0.980
  129    HB2  CYS  17           2HB      CYS  17  -1.585  -7.479  -0.960
  130    HB3  CYS  17           1HB      CYS  17  -2.894  -8.415  -0.248
  131    H    SER  18           H        SER  18  -2.883  -8.475   2.124
  132    HA   SER  18           HA       SER  18  -1.003  -7.744   4.085
  133    HB2  SER  18           2HB      SER  18  -2.319 -10.408   3.510
  134    HB3  SER  18           1HB      SER  18  -1.480  -9.993   5.005
  135    HG   SER  18           HG       SER  18  -3.465  -8.268   4.117
  136    H    GLY  19           H        GLY  19   1.109  -8.084   4.133
  137    HA2  GLY  19           2HA      GLY  19   3.128  -9.249   3.673
  138    HA3  GLY  19           1HA      GLY  19   2.340 -10.009   2.291
  139    H    LEU  20           H        LEU  20   1.376  -6.919   2.266
  140    HA   LEU  20           HA       LEU  20   3.538  -6.035   0.498
  141    HB2  LEU  20           2HB      LEU  20   1.137  -6.870  -0.311
  142    HB3  LEU  20           1HB      LEU  20   0.678  -5.262   0.183
  143    HG   LEU  20           HG       LEU  20   2.321  -4.347  -1.442
  144   HD11  LEU  20          1HD1      LEU  20   3.825  -6.266  -1.503
  145   HD12  LEU  20          2HD1      LEU  20   3.213  -5.919  -3.124
  146   HD13  LEU  20          3HD1      LEU  20   2.545  -7.259  -2.186
  147   HD21  LEU  20          3HD2      LEU  20   0.290  -6.274  -2.532
  148   HD22  LEU  20          1HD2      LEU  20   0.997  -4.914  -3.394
  149   HD23  LEU  20          2HD2      LEU  20  -0.041  -4.628  -1.997
  150    H    LYS  21           H        LYS  21   3.782  -3.656   0.611
  151    HA   LYS  21           HA       LYS  21   2.426  -2.391   2.896
  152    HB2  LYS  21           2HB      LYS  21   4.685  -3.229   3.594
  153    HB3  LYS  21           1HB      LYS  21   5.367  -2.215   2.333
  154    HG2  LYS  21           2HG      LYS  21   4.403  -0.227   3.411
  155    HG3  LYS  21           1HG      LYS  21   3.836  -1.242   4.731
  156    HD2  LYS  21           2HD      LYS  21   6.141  -1.846   5.258
  157    HD3  LYS  21           1HD      LYS  21   6.713  -0.858   3.910
  158    HE2  LYS  21           2HE      LYS  21   5.205   0.139   6.331
  159    HE3  LYS  21           1HE      LYS  21   6.926   0.344   6.027
  160    HZ1  LYS  21           3HZ      LYS  21   4.760   1.483   4.312
  161    HZ2  LYS  21           1HZ      LYS  21   6.413   1.684   4.104
  162    HZ3  LYS  21           2HZ      LYS  21   5.661   2.336   5.447
  163    H    CYS  22           H        CYS  22   2.084  -0.269   2.620
  164    HA   CYS  22           HA       CYS  22   2.447   0.883   0.014
  165    HB2  CYS  22           2HB      CYS  22   0.498   1.430   1.478
  166    HB3  CYS  22           1HB      CYS  22   1.601   2.218   2.602
  167    H    GLY  23           H        GLY  23   4.212   1.907  -0.652
  168    HA2  GLY  23           2HA      GLY  23   6.490   2.022   1.053
  169    HA3  GLY  23           1HA      GLY  23   6.409   2.506  -0.630
  170    H    SER  24           H        SER  24   7.777   3.759   1.534
  171    HA   SER  24           HA       SER  24   6.370   6.218   2.056
  172    HB2  SER  24           2HB      SER  24   8.567   6.527   3.391
  173    HB3  SER  24           1HB      SER  24   7.395   5.329   3.951
  174    HG   SER  24           HG       SER  24   9.870   4.864   3.462
  175    H    ASN  25           H        ASN  25   9.343   5.033   0.550
  176    HA   ASN  25           HA       ASN  25   9.995   7.631  -0.548
  177    HB2  ASN  25           2HB      ASN  25  11.277   4.916  -0.947
  178    HB3  ASN  25           1HB      ASN  25  11.859   6.387  -1.708
  179   HD21  ASN  25          1HD2      ASN  25  13.081   4.555   0.249
  180   HD22  ASN  25          2HD2      ASN  25  13.558   5.538   1.576
  181    H    HIS  26           H        HIS  26   8.655   4.619  -1.597
  182    HA   HIS  26           HA       HIS  26   7.880   5.889  -4.141
  183    HB2  HIS  26           2HB      HIS  26   8.216   2.924  -3.550
  184    HB3  HIS  26           1HB      HIS  26   7.699   3.577  -5.073
  185    HD1  HIS  26           1HD      HIS  26   9.574   4.631  -6.613
  186    HD2  HIS  26           2HD      HIS  26  10.856   2.984  -3.044
  187    HE1  HIS  26           1HE      HIS  26  12.069   4.394  -6.832
  188    H    ASN  27           H        ASN  27   5.834   6.555  -3.788
  189    HA   ASN  27           HA       ASN  27   4.315   5.321  -1.701
  190    HB2  ASN  27           2HB      ASN  27   3.619   7.662  -3.475
  191    HB3  ASN  27           1HB      ASN  27   2.613   7.081  -2.155
  192   HD21  ASN  27          1HD2      ASN  27   4.921   6.473  -0.410
  193   HD22  ASN  27          2HD2      ASN  27   5.535   7.999   0.091
  194    H    TRP  28           H        TRP  28   4.437   3.361  -2.927
  195    HA   TRP  28           HA       TRP  28   1.823   2.838  -3.900
  196    HB2  TRP  28           2HB      TRP  28   2.626   1.529  -5.895
  197    HB3  TRP  28           1HB      TRP  28   2.926   3.237  -6.016
  198    HD1  TRP  28           HD       TRP  28   5.208   0.537  -4.378
  199    HE1  TRP  28           1HE      TRP  28   7.484   0.658  -5.552
  200    HE3  TRP  28           3HE      TRP  28   4.114   4.043  -7.847
  201    HZ2  TRP  28           2HZ      TRP  28   8.645   2.002  -7.594
  202    HZ3  TRP  28           3HZ      TRP  28   5.888   4.722  -9.443
  203    HH2  TRP  28           HH       TRP  28   8.122   3.721  -9.328
  204    H    CYS  29           H        CYS  29   1.629   0.471  -4.150
  205    HA   CYS  29           HA       CYS  29   2.434  -0.723  -1.722
  206    HB2  CYS  29           2HB      CYS  29   0.985  -1.719  -4.125
  207    HB3  CYS  29           1HB      CYS  29   1.183  -2.714  -2.705
  208    H    LYS  30           H        LYS  30   4.352  -1.365  -1.400
  209    HA   LYS  30           HA       LYS  30   5.924  -2.757  -3.459
  210    HB2  LYS  30           2HB      LYS  30   6.777  -1.471  -0.858
  211    HB3  LYS  30           1HB      LYS  30   7.853  -2.192  -2.032
  212    HG2  LYS  30           2HG      LYS  30   7.303  -0.416  -3.634
  213    HG3  LYS  30           1HG      LYS  30   6.152   0.251  -2.480
  214    HD2  LYS  30           2HD      LYS  30   8.016   1.583  -2.158
  215    HD3  LYS  30           1HD      LYS  30   8.155   0.387  -0.889
  216    HE2  LYS  30           2HE      LYS  30   9.630   0.286  -3.526
  217    HE3  LYS  30           1HE      LYS  30  10.299   0.888  -2.026
  218    HZ1  LYS  30           3HZ      LYS  30  10.039  -1.378  -1.085
  219    HZ2  LYS  30           1HZ      LYS  30  11.046  -1.317  -2.421
  220    HZ3  LYS  30           2HZ      LYS  30   9.507  -1.932  -2.595
  221    H    LEU  31           H        LEU  31   7.419  -4.408  -2.215
  222    HA   LEU  31           HA       LEU  31   5.725  -6.252  -0.834
  223    HB2  LEU  31           2HB      LEU  31   8.714  -6.259  -1.251
  224    HB3  LEU  31           1HB      LEU  31   7.766  -7.612  -0.674
  225    HG   LEU  31           HG       LEU  31   7.509  -6.378  -3.417
  226   HD11  LEU  31          1HD1      LEU  31   8.613  -8.408  -4.205
  227   HD12  LEU  31          2HD1      LEU  31   8.870  -8.911  -2.533
  228   HD13  LEU  31          3HD1      LEU  31   9.654  -7.458  -3.150
  229   HD21  LEU  31          3HD2      LEU  31   6.190  -8.381  -3.924
  230   HD22  LEU  31          1HD2      LEU  31   5.439  -7.420  -2.650
  231   HD23  LEU  31          2HD2      LEU  31   6.322  -8.892  -2.242
  232    H    HIS  32           H        HIS  32   5.724  -6.762   1.331
  233    HA   HIS  32           HA       HIS  32   6.892  -4.770   3.119
  234    HB2  HIS  32           2HB      HIS  32   4.485  -5.558   3.343
  235    HB3  HIS  32           1HB      HIS  32   5.109  -7.138   3.785
  236    HD1  HIS  32           1HD      HIS  32   6.464  -7.196   6.188
  237    HD2  HIS  32           2HD      HIS  32   4.226  -3.782   5.375
  238    HE1  HIS  32           1HE      HIS  32   6.194  -5.994   8.367
  239    H    LEU  33           H        LEU  33   8.891  -5.174   3.837
  240    HA   LEU  33           HA       LEU  33   9.701  -7.965   4.282
  241    HB2  LEU  33           2HB      LEU  33  11.407  -5.624   3.414
  242    HB3  LEU  33           1HB      LEU  33  12.089  -7.083   4.077
  243    HG   LEU  33           HG       LEU  33  11.088  -8.331   2.126
  244   HD11  LEU  33          1HD1      LEU  33  10.633  -5.566   1.039
  245   HD12  LEU  33          2HD1      LEU  33   9.381  -6.725   1.482
  246   HD13  LEU  33          3HD1      LEU  33  10.476  -7.078   0.146
  247   HD21  LEU  33          3HD2      LEU  33  13.062  -6.150   1.536
  248   HD22  LEU  33          1HD2      LEU  33  12.823  -7.605   0.572
  249   HD23  LEU  33          2HD2      LEU  33  13.424  -7.732   2.225
  Start of MODEL    6
    1    H1   ASP   1           1HT      ASP   1 -12.130  -5.382  -1.739
    2    H2   ASP   1           2HT      ASP   1 -11.413  -3.889  -2.119
    3    H3   ASP   1           3HT      ASP   1 -11.135  -4.588  -0.630
    4    HA   ASP   1           HA       ASP   1  -9.936  -6.361  -1.581
    5    HB2  ASP   1           2HB      ASP   1  -9.360  -6.318  -4.005
    6    HB3  ASP   1           1HB      ASP   1 -11.085  -6.537  -3.741
    7    H    CYS   2           H        CYS   2  -7.689  -6.153  -1.832
    8    HA   CYS   2           HA       CYS   2  -6.765  -3.598  -0.862
    9    HB2  CYS   2           2HB      CYS   2  -4.632  -4.890  -0.573
   10    HB3  CYS   2           1HB      CYS   2  -6.010  -5.479   0.348
   11    H    LEU   3           H        LEU   3  -4.679  -2.743  -1.604
   12    HA   LEU   3           HA       LEU   3  -4.625  -2.531  -4.476
   13    HB2  LEU   3           2HB      LEU   3  -2.755  -1.354  -2.415
   14    HB3  LEU   3           1HB      LEU   3  -2.867  -0.913  -4.101
   15    HG   LEU   3           HG       LEU   3  -5.053  -0.500  -2.091
   16   HD11  LEU   3          1HD1      LEU   3  -4.410   1.873  -2.216
   17   HD12  LEU   3          2HD1      LEU   3  -3.027   1.428  -3.223
   18   HD13  LEU   3          3HD1      LEU   3  -3.133   0.852  -1.554
   19   HD21  LEU   3          3HD2      LEU   3  -5.852  -0.729  -4.388
   20   HD22  LEU   3          1HD2      LEU   3  -4.707   0.502  -4.917
   21   HD23  LEU   3          2HD2      LEU   3  -6.029   0.936  -3.829
   22    H    LYS   4           H        LYS   4  -3.093  -3.345  -5.752
   23    HA   LYS   4           HA       LYS   4  -1.605  -5.600  -4.683
   24    HB2  LYS   4           2HB      LYS   4  -2.197  -4.722  -7.492
   25    HB3  LYS   4           1HB      LYS   4  -1.235  -6.131  -7.090
   26    HG2  LYS   4           2HG      LYS   4  -3.144  -7.133  -5.945
   27    HG3  LYS   4           1HG      LYS   4  -4.115  -5.707  -6.310
   28    HD2  LYS   4           2HD      LYS   4  -4.580  -7.537  -7.872
   29    HD3  LYS   4           1HD      LYS   4  -3.883  -6.136  -8.688
   30    HE2  LYS   4           2HE      LYS   4  -2.932  -8.250  -9.504
   31    HE3  LYS   4           1HE      LYS   4  -1.714  -7.220  -8.766
   32    HZ1  LYS   4           3HZ      LYS   4  -1.872  -8.594  -6.752
   33    HZ2  LYS   4           1HZ      LYS   4  -1.451  -9.501  -8.102
   34    HZ3  LYS   4           2HZ      LYS   4  -3.010  -9.585  -7.517
   35    H    PHE   5           H        PHE   5   0.469  -5.967  -6.189
   36    HA   PHE   5           HA       PHE   5   2.381  -4.154  -5.180
   37    HB2  PHE   5           2HB      PHE   5   2.868  -6.540  -5.649
   38    HB3  PHE   5           1HB      PHE   5   2.724  -6.213  -7.371
   39    HD1  PHE   5           1HD      PHE   5   4.673  -5.409  -4.357
   40    HD2  PHE   5           2HD      PHE   5   4.563  -5.377  -8.601
   41    HE1  PHE   5           1HE      PHE   5   7.044  -4.833  -4.403
   42    HE2  PHE   5           2HE      PHE   5   6.953  -4.796  -8.659
   43    HZ   PHE   5           HZ       PHE   5   8.201  -4.527  -6.550
   44    H    GLY   6           H        GLY   6   3.095  -2.312  -5.936
   45    HA2  GLY   6           2HA      GLY   6   3.849  -0.801  -7.546
   46    HA3  GLY   6           1HA      GLY   6   3.092  -1.788  -8.790
   47    H    TRP   7           H        TRP   7   0.775  -1.541  -6.509
   48    HA   TRP   7           HA       TRP   7  -0.572   0.424  -8.095
   49    HB2  TRP   7           2HB      TRP   7  -1.469  -1.285  -5.771
   50    HB3  TRP   7           1HB      TRP   7  -2.501  -0.031  -6.452
   51    HD1  TRP   7           HD       TRP   7  -0.355  -2.282  -8.717
   52    HE1  TRP   7           1HE      TRP   7  -1.910  -3.758 -10.144
   53    HE3  TRP   7           3HE      TRP   7  -4.817  -1.130  -6.506
   54    HZ2  TRP   7           2HZ      TRP   7  -4.656  -4.358 -10.302
   55    HZ3  TRP   7           3HZ      TRP   7  -6.855  -2.215  -7.351
   56    HH2  TRP   7           HH       TRP   7  -6.776  -3.789  -9.206
   57    H    LYS   8           H        LYS   8  -1.340   2.356  -7.363
   58    HA   LYS   8           HA       LYS   8   0.597   3.626  -5.662
   59    HB2  LYS   8           2HB      LYS   8  -1.726   4.844  -7.134
   60    HB3  LYS   8           1HB      LYS   8  -0.353   5.696  -6.444
   61    HG2  LYS   8           2HG      LYS   8  -0.287   3.744  -8.725
   62    HG3  LYS   8           1HG      LYS   8  -0.094   5.494  -8.844
   63    HD2  LYS   8           2HD      LYS   8   1.980   5.317  -7.501
   64    HD3  LYS   8           1HD      LYS   8   1.736   3.573  -7.413
   65    HE2  LYS   8           2HE      LYS   8   2.103   5.132  -9.956
   66    HE3  LYS   8           1HE      LYS   8   3.371   4.217  -9.150
   67    HZ1  LYS   8           3HZ      LYS   8   0.871   3.116 -10.340
   68    HZ2  LYS   8           1HZ      LYS   8   2.004   2.180  -9.501
   69    HZ3  LYS   8           2HZ      LYS   8   2.431   2.945 -10.928
   70    H    CYS   9           H        CYS   9   0.315   4.427  -3.718
   71    HA   CYS   9           HA       CYS   9  -2.346   4.356  -2.535
   72    HB2  CYS   9           2HB      CYS   9  -1.313   3.360  -0.494
   73    HB3  CYS   9           1HB      CYS   9  -1.281   2.283  -1.888
   74    H    ASN  10           H        ASN  10  -2.125   5.419  -0.268
   75    HA   ASN  10           HA       ASN  10  -0.426   7.787  -0.473
   76    HB2  ASN  10           2HB      ASN  10  -2.964   7.333   1.160
   77    HB3  ASN  10           1HB      ASN  10  -1.979   8.789   1.201
   78   HD21  ASN  10          1HD2      ASN  10  -4.812   8.418   0.467
   79   HD22  ASN  10          2HD2      ASN  10  -4.936   9.052  -1.130
   80    HA   PRO  11           HA       PRO  11   2.004   5.284   2.334
   81    HB2  PRO  11           2HB      PRO  11   3.722   7.287   3.125
   82    HB3  PRO  11           1HB      PRO  11   3.868   6.344   1.633
   83    HG2  PRO  11           2HG      PRO  11   2.601   9.021   2.058
   84    HG3  PRO  11           1HG      PRO  11   3.730   8.522   0.775
   85    HD2  PRO  11           2HD      PRO  11   1.159   8.706   0.296
   86    HD3  PRO  11           1HD      PRO  11   2.060   7.308  -0.338
   87    H    ARG  12           H        ARG  12   0.062   7.794   3.384
   88    HA   ARG  12           HA       ARG  12   0.822   7.709   6.181
   89    HB2  ARG  12           2HB      ARG  12  -1.563   8.924   4.827
   90    HB3  ARG  12           1HB      ARG  12  -1.146   9.139   6.512
   91    HG2  ARG  12           2HG      ARG  12   0.521  10.006   4.151
   92    HG3  ARG  12           1HG      ARG  12  -0.501  11.071   5.116
   93    HD2  ARG  12           2HD      ARG  12   0.902  10.673   7.063
   94    HD3  ARG  12           1HD      ARG  12   1.876   9.514   6.154
   95    HE   ARG  12           HE       ARG  12   1.932  11.836   4.706
   96   HH11  ARG  12          1HH1      ARG  12   2.997  10.874   7.926
   97   HH12  ARG  12          2HH1      ARG  12   4.253  12.013   8.020
   98   HH21  ARG  12          1HH2      ARG  12   3.703  13.332   4.783
   99   HH22  ARG  12          2HH2      ARG  12   4.665  13.466   6.168
  100    H    ASN  13           H        ASN  13  -1.535   6.233   4.085
  101    HA   ASN  13           HA       ASN  13  -2.363   4.537   6.281
  102    HB2  ASN  13           2HB      ASN  13  -4.722   4.589   5.621
  103    HB3  ASN  13           1HB      ASN  13  -4.184   6.217   5.988
  104   HD21  ASN  13          1HD2      ASN  13  -4.135   7.738   4.309
  105   HD22  ASN  13          2HD2      ASN  13  -4.894   7.442   2.790
  106    H    ASP  14           H        ASP  14  -2.148   2.537   5.787
  107    HA   ASP  14           HA       ASP  14  -1.293   1.790   3.120
  108    HB2  ASP  14           2HB      ASP  14  -0.259   0.908   5.254
  109    HB3  ASP  14           1HB      ASP  14  -1.725  -0.031   5.481
  110    H    LYS  15           H        LYS  15  -2.515   0.852   1.634
  111    HA   LYS  15           HA       LYS  15  -5.032  -0.433   2.432
  112    HB2  LYS  15           2HB      LYS  15  -4.590   1.417   0.083
  113    HB3  LYS  15           1HB      LYS  15  -6.011   0.408   0.256
  114    HG2  LYS  15           2HG      LYS  15  -5.162   2.618   2.132
  115    HG3  LYS  15           1HG      LYS  15  -6.440   2.726   0.922
  116    HD2  LYS  15           2HD      LYS  15  -6.402   0.846   3.288
  117    HD3  LYS  15           1HD      LYS  15  -7.318   2.346   3.193
  118    HE2  LYS  15           2HE      LYS  15  -8.608   1.446   1.307
  119    HE3  LYS  15           1HE      LYS  15  -7.667  -0.043   1.376
  120    HZ1  LYS  15           3HZ      LYS  15  -9.461   0.969   3.511
  121    HZ2  LYS  15           1HZ      LYS  15  -8.534  -0.433   3.600
  122    HZ3  LYS  15           2HZ      LYS  15  -9.777  -0.321   2.476
  123    H    CYS  16           H        CYS  16  -2.214  -1.192   1.653
  124    HA   CYS  16           HA       CYS  16  -2.512  -2.599  -0.843
  125    HB2  CYS  16           2HB      CYS  16  -0.274  -2.718   1.194
  126    HB3  CYS  16           1HB      CYS  16  -0.188  -3.212  -0.491
  127    H    CYS  17           H        CYS  17  -1.924  -5.020  -0.801
  128    HA   CYS  17           HA       CYS  17  -3.656  -6.401   0.949
  129    HB2  CYS  17           2HB      CYS  17  -1.437  -7.519  -0.764
  130    HB3  CYS  17           1HB      CYS  17  -2.815  -8.403  -0.109
  131    H    SER  18           H        SER  18  -3.002  -8.159   2.444
  132    HA   SER  18           HA       SER  18  -1.053  -7.315   4.290
  133    HB2  SER  18           2HB      SER  18  -3.077  -8.693   4.876
  134    HB3  SER  18           1HB      SER  18  -2.331 -10.064   4.060
  135    HG   SER  18           HG       SER  18  -1.117 -10.393   5.735
  136    H    GLY  19           H        GLY  19   1.081  -7.712   4.329
  137    HA2  GLY  19           2HA      GLY  19   3.028  -9.060   3.961
  138    HA3  GLY  19           1HA      GLY  19   2.187  -9.845   2.622
  139    H    LEU  20           H        LEU  20   1.214  -6.951   2.143
  140    HA   LEU  20           HA       LEU  20   3.483  -6.086   0.524
  141    HB2  LEU  20           2HB      LEU  20   1.172  -6.919  -0.438
  142    HB3  LEU  20           1HB      LEU  20   0.604  -5.362   0.112
  143    HG   LEU  20           HG       LEU  20   2.349  -4.308  -1.344
  144   HD11  LEU  20          1HD1      LEU  20   3.243  -5.748  -3.124
  145   HD12  LEU  20          2HD1      LEU  20   2.593  -7.155  -2.263
  146   HD13  LEU  20          3HD1      LEU  20   3.846  -6.166  -1.518
  147   HD21  LEU  20          3HD2      LEU  20   0.327  -6.093  -2.667
  148   HD22  LEU  20          1HD2      LEU  20   1.128  -4.710  -3.398
  149   HD23  LEU  20          2HD2      LEU  20   0.021  -4.474  -2.042
  150    H    LYS  21           H        LYS  21   3.816  -3.753   0.669
  151    HA   LYS  21           HA       LYS  21   2.287  -2.451   2.785
  152    HB2  LYS  21           2HB      LYS  21   4.232  -3.485   3.801
  153    HB3  LYS  21           1HB      LYS  21   5.280  -2.602   2.680
  154    HG2  LYS  21           2HG      LYS  21   4.509  -0.506   3.692
  155    HG3  LYS  21           1HG      LYS  21   3.510  -1.445   4.808
  156    HD2  LYS  21           2HD      LYS  21   5.538  -2.560   5.646
  157    HD3  LYS  21           1HD      LYS  21   6.512  -1.542   4.584
  158    HE2  LYS  21           2HE      LYS  21   6.485  -0.638   6.840
  159    HE3  LYS  21           1HE      LYS  21   5.663   0.442   5.721
  160    HZ1  LYS  21           3HZ      LYS  21   3.540  -0.430   6.501
  161    HZ2  LYS  21           1HZ      LYS  21   4.438   0.188   7.780
  162    HZ3  LYS  21           2HZ      LYS  21   4.322  -1.468   7.557
  163    H    CYS  22           H        CYS  22   2.006  -0.431   2.502
  164    HA   CYS  22           HA       CYS  22   2.735   0.881   0.043
  165    HB2  CYS  22           2HB      CYS  22   0.541   1.243   1.188
  166    HB3  CYS  22           1HB      CYS  22   1.391   1.972   2.540
  167    H    GLY  23           H        GLY  23   4.682   1.745  -0.205
  168    HA2  GLY  23           2HA      GLY  23   6.467   2.053   2.014
  169    HA3  GLY  23           1HA      GLY  23   6.849   2.488   0.364
  170    H    SER  24           H        SER  24   7.269   3.830   2.921
  171    HA   SER  24           HA       SER  24   5.554   6.137   2.844
  172    HB2  SER  24           2HB      SER  24   7.086   6.899   4.739
  173    HB3  SER  24           1HB      SER  24   6.128   5.446   5.024
  174    HG   SER  24           HG       SER  24   7.865   4.308   5.132
  175    H    ASN  25           H        ASN  25   8.775   5.272   1.848
  176    HA   ASN  25           HA       ASN  25   9.440   8.001   1.081
  177    HB2  ASN  25           2HB      ASN  25  11.207   6.397   1.870
  178    HB3  ASN  25           1HB      ASN  25  10.903   5.413   0.448
  179   HD21  ASN  25          1HD2      ASN  25  12.222   8.406   1.622
  180   HD22  ASN  25          2HD2      ASN  25  13.146   8.792   0.227
  181    H    HIS  26           H        HIS  26   7.768   5.418  -0.106
  182    HA   HIS  26           HA       HIS  26   7.992   6.240  -2.916
  183    HB2  HIS  26           2HB      HIS  26   6.922   3.677  -1.704
  184    HB3  HIS  26           1HB      HIS  26   6.971   4.023  -3.415
  185    HD1  HIS  26           1HD      HIS  26   9.456   4.055  -4.511
  186    HD2  HIS  26           2HD      HIS  26   9.117   2.627  -0.637
  187    HE1  HIS  26           1HE      HIS  26  11.544   2.709  -4.087
  188    H    ASN  27           H        ASN  27   5.653   5.461  -3.913
  189    HA   ASN  27           HA       ASN  27   3.503   6.358  -2.140
  190    HB2  ASN  27           2HB      ASN  27   4.037   7.434  -4.923
  191    HB3  ASN  27           1HB      ASN  27   2.497   7.606  -4.086
  192   HD21  ASN  27          1HD2      ASN  27   2.351   8.954  -2.344
  193   HD22  ASN  27          2HD2      ASN  27   3.574  10.107  -1.951
  194    H    TRP  28           H        TRP  28   4.412   3.795  -3.044
  195    HA   TRP  28           HA       TRP  28   1.982   2.841  -4.257
  196    HB2  TRP  28           2HB      TRP  28   3.249   1.366  -5.853
  197    HB3  TRP  28           1HB      TRP  28   3.339   3.077  -6.233
  198    HD1  TRP  28           HD       TRP  28   5.633   1.635  -3.559
  199    HE1  TRP  28           1HE      TRP  28   8.033   1.681  -4.395
  200    HE3  TRP  28           3HE      TRP  28   4.805   2.957  -8.419
  201    HZ2  TRP  28           2HZ      TRP  28   9.408   2.124  -6.699
  202    HZ3  TRP  28           3HZ      TRP  28   6.765   3.159  -9.901
  203    HH2  TRP  28           HH       TRP  28   9.028   2.751  -9.061
  204    H    CYS  29           H        CYS  29   1.918   0.496  -4.235
  205    HA   CYS  29           HA       CYS  29   2.626  -0.567  -1.656
  206    HB2  CYS  29           2HB      CYS  29   1.109  -1.553  -4.024
  207    HB3  CYS  29           1HB      CYS  29   1.277  -2.560  -2.622
  208    H    LYS  30           H        LYS  30   4.523  -1.598  -1.292
  209    HA   LYS  30           HA       LYS  30   5.680  -3.242  -3.439
  210    HB2  LYS  30           2HB      LYS  30   7.118  -1.555  -1.395
  211    HB3  LYS  30           1HB      LYS  30   7.916  -2.847  -2.277
  212    HG2  LYS  30           2HG      LYS  30   7.369  -1.742  -4.377
  213    HG3  LYS  30           1HG      LYS  30   6.577  -0.453  -3.476
  214    HD2  LYS  30           2HD      LYS  30   8.823   0.213  -4.188
  215    HD3  LYS  30           1HD      LYS  30   8.719   0.142  -2.430
  216    HE2  LYS  30           2HE      LYS  30  10.795  -0.723  -3.390
  217    HE3  LYS  30           1HE      LYS  30   9.945  -1.948  -2.431
  218    HZ1  LYS  30           3HZ      LYS  30   9.178  -2.919  -4.535
  219    HZ2  LYS  30           1HZ      LYS  30  10.844  -2.835  -4.505
  220    HZ3  LYS  30           2HZ      LYS  30   9.976  -1.732  -5.412
  221    H    LEU  31           H        LEU  31   7.303  -4.885  -2.417
  222    HA   LEU  31           HA       LEU  31   5.730  -6.598  -0.758
  223    HB2  LEU  31           2HB      LEU  31   8.582  -6.794  -1.715
  224    HB3  LEU  31           1HB      LEU  31   7.725  -8.064  -0.872
  225    HG   LEU  31           HG       LEU  31   6.888  -6.964  -3.556
  226   HD11  LEU  31          1HD1      LEU  31   9.058  -8.049  -3.722
  227   HD12  LEU  31          2HD1      LEU  31   7.805  -9.037  -4.471
  228   HD13  LEU  31          3HD1      LEU  31   8.433  -9.466  -2.878
  229   HD21  LEU  31          3HD2      LEU  31   6.036  -9.384  -1.973
  230   HD22  LEU  31          1HD2      LEU  31   5.539  -9.017  -3.624
  231   HD23  LEU  31          2HD2      LEU  31   5.064  -7.948  -2.308
  232    H    HIS  32           H        HIS  32   5.893  -6.955   1.392
  233    HA   HIS  32           HA       HIS  32   7.912  -5.404   2.814
  234    HB2  HIS  32           2HB      HIS  32   5.588  -4.944   3.469
  235    HB3  HIS  32           1HB      HIS  32   5.335  -6.650   3.816
  236    HD1  HIS  32           1HD      HIS  32   5.661  -7.271   6.219
  237    HD2  HIS  32           2HD      HIS  32   7.714  -3.818   5.199
  238    HE1  HIS  32           1HE      HIS  32   6.705  -6.423   8.350
  239    H    LEU  33           H        LEU  33   9.617  -6.498   3.470
  240    HA   LEU  33           HA       LEU  33   9.567  -9.356   3.494
  241    HB2  LEU  33           2HB      LEU  33  11.549  -8.124   2.694
  242    HB3  LEU  33           1HB      LEU  33  11.751  -7.413   4.278
  243    HG   LEU  33           HG       LEU  33  12.187  -9.672   5.205
  244   HD11  LEU  33          1HD1      LEU  33  12.086 -10.532   2.323
  245   HD12  LEU  33          2HD1      LEU  33  10.982 -11.025   3.610
  246   HD13  LEU  33          3HD1      LEU  33  12.676 -11.507   3.664
  247   HD21  LEU  33          3HD2      LEU  33  14.425  -9.917   4.241
  248   HD22  LEU  33          1HD2      LEU  33  14.038  -8.226   4.562
  249   HD23  LEU  33          2HD2      LEU  33  13.968  -8.850   2.913
  Start of MODEL    7
    1    H1   ASP   1           1HT      ASP   1 -12.203  -4.819  -2.222
    2    H2   ASP   1           2HT      ASP   1 -11.222  -3.481  -2.635
    3    H3   ASP   1           3HT      ASP   1 -11.351  -3.956  -1.043
    4    HA   ASP   1           HA       ASP   1 -10.210  -5.956  -1.433
    5    HB2  ASP   1           2HB      ASP   1 -10.988  -6.272  -3.809
    6    HB3  ASP   1           1HB      ASP   1  -9.942  -4.937  -4.278
    7    H    CYS   2           H        CYS   2  -7.825  -5.941  -1.741
    8    HA   CYS   2           HA       CYS   2  -6.853  -3.419  -0.667
    9    HB2  CYS   2           2HB      CYS   2  -4.808  -4.807  -0.207
   10    HB3  CYS   2           1HB      CYS   2  -6.279  -5.348   0.599
   11    H    LEU   3           H        LEU   3  -4.752  -2.592  -1.396
   12    HA   LEU   3           HA       LEU   3  -4.676  -2.398  -4.256
   13    HB2  LEU   3           2HB      LEU   3  -2.732  -1.277  -2.232
   14    HB3  LEU   3           1HB      LEU   3  -2.904  -0.799  -3.903
   15    HG   LEU   3           HG       LEU   3  -4.982  -0.425  -1.785
   16   HD11  LEU   3          1HD1      LEU   3  -3.082   1.552  -3.052
   17   HD12  LEU   3          2HD1      LEU   3  -3.037   0.986  -1.382
   18   HD13  LEU   3          3HD1      LEU   3  -4.390   1.968  -1.946
   19   HD21  LEU   3          3HD2      LEU   3  -6.107   0.987  -3.436
   20   HD22  LEU   3          1HD2      LEU   3  -5.916  -0.665  -4.030
   21   HD23  LEU   3          2HD2      LEU   3  -4.844   0.611  -4.609
   22    H    LYS   4           H        LYS   4  -3.158  -3.207  -5.577
   23    HA   LYS   4           HA       LYS   4  -1.684  -5.508  -4.570
   24    HB2  LYS   4           2HB      LYS   4  -2.298  -4.568  -7.357
   25    HB3  LYS   4           1HB      LYS   4  -1.279  -5.953  -7.015
   26    HG2  LYS   4           2HG      LYS   4  -3.152  -7.042  -5.896
   27    HG3  LYS   4           1HG      LYS   4  -4.170  -5.643  -6.257
   28    HD2  LYS   4           2HD      LYS   4  -3.924  -6.007  -8.617
   29    HD3  LYS   4           1HD      LYS   4  -2.760  -7.302  -8.340
   30    HE2  LYS   4           2HE      LYS   4  -4.962  -8.204  -8.878
   31    HE3  LYS   4           1HE      LYS   4  -4.491  -8.619  -7.235
   32    HZ1  LYS   4           3HZ      LYS   4  -5.886  -6.812  -6.430
   33    HZ2  LYS   4           1HZ      LYS   4  -6.762  -7.929  -7.331
   34    HZ3  LYS   4           2HZ      LYS   4  -6.361  -6.446  -8.009
   35    H    PHE   5           H        PHE   5   0.421  -5.905  -5.881
   36    HA   PHE   5           HA       PHE   5   2.305  -4.051  -4.959
   37    HB2  PHE   5           2HB      PHE   5   2.757  -6.446  -5.242
   38    HB3  PHE   5           1HB      PHE   5   2.576  -6.281  -6.981
   39    HD1  PHE   5           1HD      PHE   5   4.589  -5.018  -4.131
   40    HD2  PHE   5           2HD      PHE   5   4.445  -5.906  -8.276
   41    HE1  PHE   5           1HE      PHE   5   6.997  -4.587  -4.299
   42    HE2  PHE   5           2HE      PHE   5   6.837  -5.475  -8.458
   43    HZ   PHE   5           HZ       PHE   5   8.134  -4.808  -6.471
   44    H    GLY   6           H        GLY   6   3.034  -2.276  -5.832
   45    HA2  GLY   6           2HA      GLY   6   3.777  -0.874  -7.548
   46    HA3  GLY   6           1HA      GLY   6   2.944  -1.893  -8.716
   47    H    TRP   7           H        TRP   7   0.703  -1.443  -6.370
   48    HA   TRP   7           HA       TRP   7  -0.581   0.546  -7.992
   49    HB2  TRP   7           2HB      TRP   7  -1.500  -1.066  -5.620
   50    HB3  TRP   7           1HB      TRP   7  -2.476   0.246  -6.267
   51    HD1  TRP   7           HD       TRP   7  -0.578  -2.196  -8.557
   52    HE1  TRP   7           1HE      TRP   7  -2.334  -3.589  -9.899
   53    HE3  TRP   7           3HE      TRP   7  -4.840  -0.603  -6.249
   54    HZ2  TRP   7           2HZ      TRP   7  -5.123  -3.929  -9.946
   55    HZ3  TRP   7           3HZ      TRP   7  -7.001  -1.501  -6.993
   56    HH2  TRP   7           HH       TRP   7  -7.136  -3.129  -8.803
   57    H    LYS   8           H        LYS   8  -1.201   2.578  -7.331
   58    HA   LYS   8           HA       LYS   8   0.577   3.994  -5.673
   59    HB2  LYS   8           2HB      LYS   8  -0.660   4.994  -7.561
   60    HB3  LYS   8           1HB      LYS   8  -2.162   4.779  -6.672
   61    HG2  LYS   8           2HG      LYS   8  -1.480   7.083  -6.555
   62    HG3  LYS   8           1HG      LYS   8  -1.329   6.351  -4.958
   63    HD2  LYS   8           2HD      LYS   8   1.086   6.064  -5.333
   64    HD3  LYS   8           1HD      LYS   8   0.923   6.819  -6.919
   65    HE2  LYS   8           2HE      LYS   8   0.289   8.117  -4.273
   66    HE3  LYS   8           1HE      LYS   8   1.753   8.385  -5.211
   67    HZ1  LYS   8           3HZ      LYS   8   0.416   9.321  -6.981
   68    HZ2  LYS   8           1HZ      LYS   8   0.118  10.143  -5.540
   69    HZ3  LYS   8           2HZ      LYS   8  -0.999   9.027  -6.133
   70    H    CYS   9           H        CYS   9   0.503   4.427  -3.573
   71    HA   CYS   9           HA       CYS   9  -1.702   3.265  -1.992
   72    HB2  CYS   9           2HB      CYS   9  -0.153   3.073  -0.221
   73    HB3  CYS   9           1HB      CYS   9   0.723   2.575  -1.672
   74    H    ASN  10           H        ASN  10  -2.005   4.512   0.166
   75    HA   ASN  10           HA       ASN  10  -1.561   7.365  -0.162
   76    HB2  ASN  10           2HB      ASN  10  -3.691   5.910   1.455
   77    HB3  ASN  10           1HB      ASN  10  -3.345   7.623   1.645
   78   HD21  ASN  10          1HD2      ASN  10  -5.790   6.398   0.875
   79   HD22  ASN  10          2HD2      ASN  10  -6.213   7.014  -0.676
   80    HA   PRO  11           HA       PRO  11   1.768   6.193   2.507
   81    HB2  PRO  11           2HB      PRO  11   2.333   8.789   3.373
   82    HB3  PRO  11           1HB      PRO  11   3.010   7.984   1.956
   83    HG2  PRO  11           2HG      PRO  11   0.726   9.889   2.144
   84    HG3  PRO  11           1HG      PRO  11   1.967   9.746   0.887
   85    HD2  PRO  11           2HD      PRO  11  -0.498   8.864   0.504
   86    HD3  PRO  11           1HD      PRO  11   0.891   7.954  -0.130
   87    H    ARG  12           H        ARG  12  -0.839   8.187   3.809
   88    HA   ARG  12           HA       ARG  12   0.057   7.639   6.514
   89    HB2  ARG  12           2HB      ARG  12  -2.309   9.166   5.512
   90    HB3  ARG  12           1HB      ARG  12  -1.901   8.946   7.199
   91    HG2  ARG  12           2HG      ARG  12   0.314  10.048   6.674
   92    HG3  ARG  12           1HG      ARG  12  -0.357  10.442   5.091
   93    HD2  ARG  12           2HD      ARG  12  -1.451  11.271   7.765
   94    HD3  ARG  12           1HD      ARG  12  -0.634  12.311   6.600
   95    HE   ARG  12           HE       ARG  12  -2.561  11.673   5.078
   96   HH11  ARG  12          1HH1      ARG  12  -2.925  11.968   8.606
   97   HH12  ARG  12          2HH1      ARG  12  -4.562  12.401   8.529
   98   HH21  ARG  12          1HH2      ARG  12  -4.800  12.310   5.007
   99   HH22  ARG  12          2HH2      ARG  12  -5.646  12.634   6.453
  100    H    ASN  13           H        ASN  13  -2.334   6.518   4.321
  101    HA   ASN  13           HA       ASN  13  -3.115   4.557   6.348
  102    HB2  ASN  13           2HB      ASN  13  -4.943   6.271   6.129
  103    HB3  ASN  13           1HB      ASN  13  -5.100   5.833   4.435
  104   HD21  ASN  13          1HD2      ASN  13  -7.083   5.687   6.513
  105   HD22  ASN  13          2HD2      ASN  13  -7.572   4.034   6.638
  106    H    ASP  14           H        ASP  14  -1.877   3.078   5.526
  107    HA   ASP  14           HA       ASP  14  -1.546   2.503   2.766
  108    HB2  ASP  14           2HB      ASP  14   0.107   1.981   4.553
  109    HB3  ASP  14           1HB      ASP  14  -0.981   0.745   5.158
  110    H    LYS  15           H        LYS  15  -2.652   1.143   1.481
  111    HA   LYS  15           HA       LYS  15  -4.748  -0.519   2.702
  112    HB2  LYS  15           2HB      LYS  15  -4.969   1.136   0.188
  113    HB3  LYS  15           1HB      LYS  15  -6.157  -0.058   0.672
  114    HG2  LYS  15           2HG      LYS  15  -5.427   2.461   2.160
  115    HG3  LYS  15           1HG      LYS  15  -6.894   2.200   1.216
  116    HD2  LYS  15           2HD      LYS  15  -6.096   0.745   3.753
  117    HD3  LYS  15           1HD      LYS  15  -7.339   1.981   3.609
  118    HE2  LYS  15           2HE      LYS  15  -8.641   0.541   2.144
  119    HE3  LYS  15           1HE      LYS  15  -7.375  -0.682   2.202
  120    HZ1  LYS  15           3HZ      LYS  15  -9.026   0.246   4.478
  121    HZ2  LYS  15           1HZ      LYS  15  -7.762  -0.857   4.601
  122    HZ3  LYS  15           2HZ      LYS  15  -9.138  -1.251   3.710
  123    H    CYS  16           H        CYS  16  -1.959  -1.006   1.660
  124    HA   CYS  16           HA       CYS  16  -2.334  -2.507  -0.732
  125    HB2  CYS  16           2HB      CYS  16  -0.011  -2.554   1.204
  126    HB3  CYS  16           1HB      CYS  16   0.012  -3.073  -0.472
  127    H    CYS  17           H        CYS  17  -1.973  -4.828  -0.839
  128    HA   CYS  17           HA       CYS  17  -3.642  -6.272   0.870
  129    HB2  CYS  17           2HB      CYS  17  -1.588  -7.253  -1.094
  130    HB3  CYS  17           1HB      CYS  17  -2.809  -8.266  -0.327
  131    H    SER  18           H        SER  18  -2.918  -8.497   1.828
  132    HA   SER  18           HA       SER  18  -1.352  -7.968   4.083
  133    HB2  SER  18           2HB      SER  18  -2.238 -10.611   2.926
  134    HB3  SER  18           1HB      SER  18  -1.873 -10.254   4.620
  135    HG   SER  18           HG       SER  18  -4.024 -10.094   4.502
  136    H    GLY  19           H        GLY  19   0.834  -8.053   4.252
  137    HA2  GLY  19           2HA      GLY  19   2.980  -8.914   3.922
  138    HA3  GLY  19           1HA      GLY  19   2.356  -9.900   2.601
  139    H    LEU  20           H        LEU  20   1.268  -6.732   2.454
  140    HA   LEU  20           HA       LEU  20   3.375  -5.913   0.618
  141    HB2  LEU  20           2HB      LEU  20   1.104  -6.901  -0.271
  142    HB3  LEU  20           1HB      LEU  20   0.477  -5.340   0.201
  143    HG   LEU  20           HG       LEU  20   2.210  -4.309  -1.291
  144   HD11  LEU  20          1HD1      LEU  20   3.152  -5.818  -3.002
  145   HD12  LEU  20          2HD1      LEU  20   2.473  -7.188  -2.094
  146   HD13  LEU  20          3HD1      LEU  20   3.703  -6.171  -1.360
  147   HD21  LEU  20          3HD2      LEU  20  -0.126  -4.544  -1.955
  148   HD22  LEU  20          1HD2      LEU  20   0.208  -6.178  -2.529
  149   HD23  LEU  20          2HD2      LEU  20   0.970  -4.798  -3.314
  150    H    LYS  21           H        LYS  21   3.807  -3.713   0.840
  151    HA   LYS  21           HA       LYS  21   2.055  -2.004   2.394
  152    HB2  LYS  21           2HB      LYS  21   3.457  -3.088   4.100
  153    HB3  LYS  21           1HB      LYS  21   4.896  -2.583   3.221
  154    HG2  LYS  21           2HG      LYS  21   4.348  -0.242   3.660
  155    HG3  LYS  21           1HG      LYS  21   2.908  -0.744   4.548
  156    HD2  LYS  21           2HD      LYS  21   4.294  -1.907   6.176
  157    HD3  LYS  21           1HD      LYS  21   5.743  -1.497   5.260
  158    HE2  LYS  21           2HE      LYS  21   5.515  -0.022   7.164
  159    HE3  LYS  21           1HE      LYS  21   5.312   0.886   5.673
  160    HZ1  LYS  21           3HZ      LYS  21   3.076  -0.104   7.350
  161    HZ2  LYS  21           1HZ      LYS  21   2.940   0.903   6.016
  162    HZ3  LYS  21           2HZ      LYS  21   3.678   1.449   7.443
  163    H    CYS  22           H        CYS  22   2.398   0.092   1.910
  164    HA   CYS  22           HA       CYS  22   3.683   0.680  -0.548
  165    HB2  CYS  22           2HB      CYS  22   1.732   1.939   0.272
  166    HB3  CYS  22           1HB      CYS  22   2.709   2.589   1.583
  167    H    GLY  23           H        GLY  23   5.499   1.815  -0.989
  168    HA2  GLY  23           2HA      GLY  23   7.685   1.281   0.762
  169    HA3  GLY  23           1HA      GLY  23   7.759   2.120  -0.779
  170    H    SER  24           H        SER  24   9.363   3.021   1.048
  171    HA   SER  24           HA       SER  24   8.131   5.292   2.365
  172    HB2  SER  24           2HB      SER  24  10.530   5.411   3.291
  173    HB3  SER  24           1HB      SER  24   9.516   4.052   3.796
  174    HG   SER  24           HG       SER  24  11.789   3.683   2.965
  175    H    ASN  25           H        ASN  25  10.342   4.352  -0.156
  176    HA   ASN  25           HA       ASN  25  10.797   7.169  -0.833
  177    HB2  ASN  25           2HB      ASN  25  12.297   4.694  -1.714
  178    HB3  ASN  25           1HB      ASN  25  12.649   6.324  -2.262
  179   HD21  ASN  25          1HD2      ASN  25  12.194   7.548   0.360
  180   HD22  ASN  25          2HD2      ASN  25  13.523   7.080   1.343
  181    H    HIS  26           H        HIS  26   8.774   4.771  -1.505
  182    HA   HIS  26           HA       HIS  26   8.222   5.812  -4.173
  183    HB2  HIS  26           2HB      HIS  26   8.158   2.877  -3.396
  184    HB3  HIS  26           1HB      HIS  26   7.472   3.496  -4.872
  185    HD1  HIS  26           1HD      HIS  26   9.210   4.346  -6.729
  186    HD2  HIS  26           2HD      HIS  26  10.802   2.507  -3.379
  187    HE1  HIS  26           1HE      HIS  26  11.574   3.787  -7.325
  188    H    ASN  27           H        ASN  27   6.058   5.928  -4.623
  189    HA   ASN  27           HA       ASN  27   4.381   5.899  -2.222
  190    HB2  ASN  27           2HB      ASN  27   3.928   7.199  -4.911
  191    HB3  ASN  27           1HB      ASN  27   2.832   7.299  -3.546
  192   HD21  ASN  27          1HD2      ASN  27   5.078   7.606  -1.594
  193   HD22  ASN  27          2HD2      ASN  27   5.634   9.208  -1.818
  194    H    TRP  28           H        TRP  28   5.056   3.516  -3.743
  195    HA   TRP  28           HA       TRP  28   2.325   2.749  -4.366
  196    HB2  TRP  28           2HB      TRP  28   3.082   1.232  -6.168
  197    HB3  TRP  28           1HB      TRP  28   3.513   2.881  -6.463
  198    HD1  TRP  28           HD       TRP  28   5.511   0.118  -4.558
  199    HE1  TRP  28           1HE      TRP  28   7.825  -0.066  -5.668
  200    HE3  TRP  28           3HE      TRP  28   4.869   3.502  -8.220
  201    HZ2  TRP  28           2HZ      TRP  28   9.184   1.055  -7.770
  202    HZ3  TRP  28           3HZ      TRP  28   6.756   3.924  -9.807
  203    HH2  TRP  28           HH       TRP  28   8.866   2.715  -9.578
  204    H    CYS  29           H        CYS  29   1.930   0.544  -4.196
  205    HA   CYS  29           HA       CYS  29   2.708  -0.562  -1.702
  206    HB2  CYS  29           2HB      CYS  29   1.170  -1.642  -4.028
  207    HB3  CYS  29           1HB      CYS  29   1.326  -2.544  -2.544
  208    H    LYS  30           H        LYS  30   4.553  -1.574  -1.270
  209    HA   LYS  30           HA       LYS  30   5.912  -3.088  -3.382
  210    HB2  LYS  30           2HB      LYS  30   7.041  -1.771  -0.902
  211    HB3  LYS  30           1HB      LYS  30   7.965  -2.734  -2.040
  212    HG2  LYS  30           2HG      LYS  30   7.543  -1.071  -3.790
  213    HG3  LYS  30           1HG      LYS  30   6.572  -0.139  -2.659
  214    HD2  LYS  30           2HD      LYS  30   8.678   0.926  -2.732
  215    HD3  LYS  30           1HD      LYS  30   8.643   0.039  -1.217
  216    HE2  LYS  30           2HE      LYS  30  10.001  -0.913  -3.745
  217    HE3  LYS  30           1HE      LYS  30  10.807  -0.061  -2.443
  218    HZ1  LYS  30           3HZ      LYS  30   9.637  -2.801  -2.352
  219    HZ2  LYS  30           1HZ      LYS  30  10.162  -1.972  -0.971
  220    HZ3  LYS  30           2HZ      LYS  30  11.233  -2.340  -2.179
  221    H    LEU  31           H        LEU  31   7.318  -4.878  -2.280
  222    HA   LEU  31           HA       LEU  31   5.539  -6.604  -0.855
  223    HB2  LEU  31           2HB      LEU  31   8.491  -6.901  -1.395
  224    HB3  LEU  31           1HB      LEU  31   7.408  -8.168  -0.864
  225    HG   LEU  31           HG       LEU  31   7.304  -6.777  -3.543
  226   HD11  LEU  31          1HD1      LEU  31   8.038  -8.911  -4.427
  227   HD12  LEU  31          2HD1      LEU  31   8.141  -9.559  -2.790
  228   HD13  LEU  31          3HD1      LEU  31   9.222  -8.259  -3.292
  229   HD21  LEU  31          3HD2      LEU  31   5.089  -7.479  -2.767
  230   HD22  LEU  31          1HD2      LEU  31   5.710  -9.106  -2.489
  231   HD23  LEU  31          2HD2      LEU  31   5.642  -8.455  -4.129
  232    H    HIS  32           H        HIS  32   5.309  -6.797   1.277
  233    HA   HIS  32           HA       HIS  32   7.045  -5.190   2.936
  234    HB2  HIS  32           2HB      HIS  32   4.558  -5.190   3.314
  235    HB3  HIS  32           1HB      HIS  32   4.681  -6.881   3.795
  236    HD1  HIS  32           1HD      HIS  32   4.558  -7.035   6.321
  237    HD2  HIS  32           2HD      HIS  32   6.593  -3.652   5.029
  238    HE1  HIS  32           1HE      HIS  32   5.284  -5.823   8.393
  239    H    LEU  33           H        LEU  33   8.871  -6.126   2.940
  240    HA   LEU  33           HA       LEU  33   9.270  -8.519   4.468
  241    HB2  LEU  33           2HB      LEU  33   8.991  -9.347   2.135
  242    HB3  LEU  33           1HB      LEU  33  10.254  -8.256   1.611
  243    HG   LEU  33           HG       LEU  33  11.875  -9.504   3.011
  244   HD11  LEU  33          1HD1      LEU  33  11.248 -11.701   3.892
  245   HD12  LEU  33          2HD1      LEU  33   9.565 -11.389   3.464
  246   HD13  LEU  33          3HD1      LEU  33  10.365 -10.397   4.684
  247   HD21  LEU  33          3HD2      LEU  33  11.989 -11.480   1.565
  248   HD22  LEU  33          1HD2      LEU  33  11.635 -10.019   0.643
  249   HD23  LEU  33          2HD2      LEU  33  10.346 -11.165   1.008
  Start of MODEL    8
    1    H1   ASP   1           1HT      ASP   1 -11.139  -2.999  -2.983
    2    H2   ASP   1           2HT      ASP   1 -11.414  -3.436  -1.398
    3    H3   ASP   1           3HT      ASP   1 -12.241  -4.234  -2.627
    4    HA   ASP   1           HA       ASP   1 -10.448  -5.571  -1.756
    5    HB2  ASP   1           2HB      ASP   1 -10.059  -4.494  -4.552
    6    HB3  ASP   1           1HB      ASP   1  -9.041  -5.771  -3.905
    7    H    CYS   2           H        CYS   2  -7.974  -5.819  -2.018
    8    HA   CYS   2           HA       CYS   2  -6.801  -3.478  -0.796
    9    HB2  CYS   2           2HB      CYS   2  -4.896  -4.984  -0.363
   10    HB3  CYS   2           1HB      CYS   2  -6.410  -5.597   0.288
   11    H    LEU   3           H        LEU   3  -4.837  -2.604  -1.513
   12    HA   LEU   3           HA       LEU   3  -4.624  -2.467  -4.380
   13    HB2  LEU   3           2HB      LEU   3  -2.869  -1.206  -2.266
   14    HB3  LEU   3           1HB      LEU   3  -2.951  -0.779  -3.958
   15    HG   LEU   3           HG       LEU   3  -5.203  -0.459  -2.010
   16   HD11  LEU   3          1HD1      LEU   3  -4.694   1.942  -2.150
   17   HD12  LEU   3          2HD1      LEU   3  -3.279   1.561  -3.138
   18   HD13  LEU   3          3HD1      LEU   3  -3.363   1.006  -1.462
   19   HD21  LEU   3          3HD2      LEU   3  -5.931  -0.770  -4.320
   20   HD22  LEU   3          1HD2      LEU   3  -4.860   0.527  -4.838
   21   HD23  LEU   3          2HD2      LEU   3  -6.234   0.886  -3.786
   22    H    LYS   4           H        LYS   4  -3.085  -3.341  -5.569
   23    HA   LYS   4           HA       LYS   4  -1.572  -5.487  -4.300
   24    HB2  LYS   4           2HB      LYS   4  -2.194  -4.971  -7.192
   25    HB3  LYS   4           1HB      LYS   4  -1.257  -6.327  -6.594
   26    HG2  LYS   4           2HG      LYS   4  -3.195  -7.123  -5.314
   27    HG3  LYS   4           1HG      LYS   4  -4.144  -5.765  -5.920
   28    HD2  LYS   4           2HD      LYS   4  -4.632  -7.774  -7.198
   29    HD3  LYS   4           1HD      LYS   4  -3.819  -6.581  -8.212
   30    HE2  LYS   4           2HE      LYS   4  -1.684  -7.785  -7.865
   31    HE3  LYS   4           1HE      LYS   4  -2.544  -8.992  -6.910
   32    HZ1  LYS   4           3HZ      LYS   4  -3.079  -8.337  -9.737
   33    HZ2  LYS   4           1HZ      LYS   4  -3.831  -9.560  -8.851
   34    HZ3  LYS   4           2HZ      LYS   4  -2.173  -9.662  -9.221
   35    H    PHE   5           H        PHE   5   0.460  -6.017  -5.726
   36    HA   PHE   5           HA       PHE   5   2.397  -4.151  -4.999
   37    HB2  PHE   5           2HB      PHE   5   2.837  -6.554  -5.251
   38    HB3  PHE   5           1HB      PHE   5   2.591  -6.420  -6.986
   39    HD1  PHE   5           1HD      PHE   5   4.677  -5.070  -4.239
   40    HD2  PHE   5           2HD      PHE   5   4.418  -6.053  -8.364
   41    HE1  PHE   5           1HE      PHE   5   7.053  -4.579  -4.488
   42    HE2  PHE   5           2HE      PHE   5   6.810  -5.557  -8.637
   43    HZ   PHE   5           HZ       PHE   5   8.138  -4.819  -6.705
   44    H    GLY   6           H        GLY   6   3.051  -2.358  -5.904
   45    HA2  GLY   6           2HA      GLY   6   3.732  -0.947  -7.612
   46    HA3  GLY   6           1HA      GLY   6   3.032  -2.054  -8.786
   47    H    TRP   7           H        TRP   7   0.773  -1.477  -6.367
   48    HA   TRP   7           HA       TRP   7  -0.579   0.315  -8.149
   49    HB2  TRP   7           2HB      TRP   7  -1.518  -1.134  -5.669
   50    HB3  TRP   7           1HB      TRP   7  -2.517   0.055  -6.492
   51    HD1  TRP   7           HD       TRP   7  -0.418  -2.481  -8.458
   52    HE1  TRP   7           1HE      TRP   7  -1.992  -4.107  -9.697
   53    HE3  TRP   7           3HE      TRP   7  -4.856  -0.976  -6.438
   54    HZ2  TRP   7           2HZ      TRP   7  -4.760  -4.664  -9.794
   55    HZ3  TRP   7           3HZ      TRP   7  -6.919  -2.108  -7.149
   56    HH2  TRP   7           HH       TRP   7  -6.870  -3.912  -8.791
   57    H    LYS   8           H        LYS   8  -1.275   2.347  -7.581
   58    HA   LYS   8           HA       LYS   8   0.441   3.878  -5.910
   59    HB2  LYS   8           2HB      LYS   8  -0.604   4.767  -7.948
   60    HB3  LYS   8           1HB      LYS   8  -2.191   4.579  -7.224
   61    HG2  LYS   8           2HG      LYS   8  -1.569   6.898  -7.150
   62    HG3  LYS   8           1HG      LYS   8  -1.554   6.254  -5.513
   63    HD2  LYS   8           2HD      LYS   8   0.864   6.042  -5.582
   64    HD3  LYS   8           1HD      LYS   8   0.881   6.592  -7.259
   65    HE2  LYS   8           2HE      LYS   8  -0.093   8.207  -4.907
   66    HE3  LYS   8           1HE      LYS   8   1.493   8.362  -5.649
   67    HZ1  LYS   8           3HZ      LYS   8  -0.113  10.023  -6.426
   68    HZ2  LYS   8           1HZ      LYS   8  -1.074   8.817  -7.092
   69    HZ3  LYS   8           2HZ      LYS   8   0.491   9.098  -7.680
   70    H    CYS   9           H        CYS   9   0.129   4.622  -3.867
   71    HA   CYS   9           HA       CYS   9  -2.426   4.227  -2.543
   72    HB2  CYS   9           2HB      CYS   9  -1.238   3.087  -0.652
   73    HB3  CYS   9           1HB      CYS   9  -1.323   2.136  -2.135
   74    H    ASN  10           H        ASN  10  -2.024   4.967  -0.114
   75    HA   ASN  10           HA       ASN  10  -0.557   7.501  -0.169
   76    HB2  ASN  10           2HB      ASN  10  -2.883   6.563   1.541
   77    HB3  ASN  10           1HB      ASN  10  -2.038   8.084   1.798
   78   HD21  ASN  10          1HD2      ASN  10  -4.853   7.577   1.171
   79   HD22  ASN  10          2HD2      ASN  10  -5.182   8.441  -0.269
   80    HA   PRO  11           HA       PRO  11   2.589   5.417   2.053
   81    HB2  PRO  11           2HB      PRO  11   3.524   7.557   3.569
   82    HB3  PRO  11           1HB      PRO  11   4.003   7.169   1.913
   83    HG2  PRO  11           2HG      PRO  11   1.970   9.128   2.880
   84    HG3  PRO  11           1HG      PRO  11   3.142   9.287   1.560
   85    HD2  PRO  11           2HD      PRO  11   0.584   8.777   1.040
   86    HD3  PRO  11           1HD      PRO  11   1.869   7.981   0.105
   87    H    ARG  12           H        ARG  12   0.532   7.503   4.022
   88    HA   ARG  12           HA       ARG  12   1.173   5.934   6.393
   89    HB2  ARG  12           2HB      ARG  12  -0.495   8.404   6.045
   90    HB3  ARG  12           1HB      ARG  12  -0.158   7.608   7.566
   91    HG2  ARG  12           2HG      ARG  12   1.874   8.904   5.729
   92    HG3  ARG  12           1HG      ARG  12   1.274   9.583   7.239
   93    HD2  ARG  12           2HD      ARG  12   2.873   7.025   6.958
   94    HD3  ARG  12           1HD      ARG  12   3.490   8.579   7.510
   95    HE   ARG  12           HE       ARG  12   1.326   7.917   9.104
   96   HH11  ARG  12          1HH1      ARG  12   4.629   6.715   8.549
   97   HH12  ARG  12          2HH1      ARG  12   4.798   6.080  10.117
   98   HH21  ARG  12          1HH2      ARG  12   1.564   7.039  11.213
   99   HH22  ARG  12          2HH2      ARG  12   3.001   6.253  11.677
  100    H    ASN  13           H        ASN  13  -1.289   6.387   4.112
  101    HA   ASN  13           HA       ASN  13  -3.115   4.764   5.734
  102    HB2  ASN  13           2HB      ASN  13  -4.203   6.833   5.049
  103    HB3  ASN  13           1HB      ASN  13  -3.786   6.552   3.368
  104   HD21  ASN  13          1HD2      ASN  13  -5.767   5.470   6.028
  105   HD22  ASN  13          2HD2      ASN  13  -6.957   4.667   5.064
  106    H    ASP  14           H        ASP  14  -2.273   2.871   5.420
  107    HA   ASP  14           HA       ASP  14  -1.420   1.967   2.810
  108    HB2  ASP  14           2HB      ASP  14  -0.188   1.494   4.960
  109    HB3  ASP  14           1HB      ASP  14  -1.516   0.430   5.395
  110    H    LYS  15           H        LYS  15  -2.905   1.205   1.486
  111    HA   LYS  15           HA       LYS  15  -4.985  -0.513   2.641
  112    HB2  LYS  15           2HB      LYS  15  -5.179   1.149   0.123
  113    HB3  LYS  15           1HB      LYS  15  -6.411   0.045   0.697
  114    HG2  LYS  15           2HG      LYS  15  -5.516   2.624   1.976
  115    HG3  LYS  15           1HG      LYS  15  -7.068   2.287   1.221
  116    HD2  LYS  15           2HD      LYS  15  -5.995   1.113   3.791
  117    HD3  LYS  15           1HD      LYS  15  -7.297   2.280   3.625
  118    HE2  LYS  15           2HE      LYS  15  -7.333  -0.575   2.640
  119    HE3  LYS  15           1HE      LYS  15  -8.132   0.026   4.083
  120    HZ1  LYS  15           3HZ      LYS  15  -8.766   0.853   1.300
  121    HZ2  LYS  15           1HZ      LYS  15  -9.551   1.404   2.693
  122    HZ3  LYS  15           2HZ      LYS  15  -9.656  -0.211   2.234
  123    H    CYS  16           H        CYS  16  -2.218  -1.045   1.639
  124    HA   CYS  16           HA       CYS  16  -2.581  -2.489  -0.794
  125    HB2  CYS  16           2HB      CYS  16  -0.276  -2.538   1.181
  126    HB3  CYS  16           1HB      CYS  16  -0.237  -3.179  -0.454
  127    H    CYS  17           H        CYS  17  -2.041  -4.864  -0.871
  128    HA   CYS  17           HA       CYS  17  -3.747  -6.321   0.831
  129    HB2  CYS  17           2HB      CYS  17  -1.598  -7.345  -1.029
  130    HB3  CYS  17           1HB      CYS  17  -2.923  -8.294  -0.368
  131    H    SER  18           H        SER  18  -2.973  -8.395   1.936
  132    HA   SER  18           HA       SER  18  -1.331  -7.701   4.090
  133    HB2  SER  18           2HB      SER  18  -3.219  -9.332   4.201
  134    HB3  SER  18           1HB      SER  18  -2.276 -10.453   3.224
  135    HG   SER  18           HG       SER  18  -1.948  -9.671   5.889
  136    H    GLY  19           H        GLY  19   0.808  -7.937   4.385
  137    HA2  GLY  19           2HA      GLY  19   2.967  -8.795   4.110
  138    HA3  GLY  19           1HA      GLY  19   2.385  -9.781   2.772
  139    H    LEU  20           H        LEU  20   1.296  -6.660   2.477
  140    HA   LEU  20           HA       LEU  20   3.499  -5.881   0.726
  141    HB2  LEU  20           2HB      LEU  20   1.199  -6.810  -0.176
  142    HB3  LEU  20           1HB      LEU  20   0.620  -5.226   0.273
  143    HG   LEU  20           HG       LEU  20   2.315  -4.244  -1.267
  144   HD11  LEU  20          1HD1      LEU  20   3.350  -5.772  -2.892
  145   HD12  LEU  20          2HD1      LEU  20   2.649  -7.142  -2.010
  146   HD13  LEU  20          3HD1      LEU  20   3.854  -6.124  -1.236
  147   HD21  LEU  20          3HD2      LEU  20   1.102  -4.854  -3.278
  148   HD22  LEU  20          1HD2      LEU  20  -0.011  -4.584  -1.936
  149   HD23  LEU  20          2HD2      LEU  20   0.385  -6.227  -2.437
  150    H    LYS  21           H        LYS  21   3.878  -3.590   0.862
  151    HA   LYS  21           HA       LYS  21   2.250  -2.134   2.810
  152    HB2  LYS  21           2HB      LYS  21   4.151  -2.965   4.075
  153    HB3  LYS  21           1HB      LYS  21   5.264  -2.303   2.872
  154    HG2  LYS  21           2HG      LYS  21   4.479  -0.050   3.420
  155    HG3  LYS  21           1HG      LYS  21   3.421  -0.717   4.651
  156    HD2  LYS  21           2HD      LYS  21   5.394  -1.581   5.835
  157    HD3  LYS  21           1HD      LYS  21   6.429  -0.856   4.597
  158    HE2  LYS  21           2HE      LYS  21   4.516   0.626   6.399
  159    HE3  LYS  21           1HE      LYS  21   6.264   0.562   6.580
  160    HZ1  LYS  21           3HZ      LYS  21   5.542   2.610   5.510
  161    HZ2  LYS  21           1HZ      LYS  21   4.829   1.766   4.243
  162    HZ3  LYS  21           2HZ      LYS  21   6.499   1.737   4.463
  163    H    CYS  22           H        CYS  22   2.068  -0.070   2.414
  164    HA   CYS  22           HA       CYS  22   2.798   0.953  -0.169
  165    HB2  CYS  22           2HB      CYS  22   0.665   1.532   1.005
  166    HB3  CYS  22           1HB      CYS  22   1.606   2.424   2.194
  167    H    GLY  23           H        GLY  23   4.529   2.151  -0.660
  168    HA2  GLY  23           2HA      GLY  23   6.612   2.438   1.289
  169    HA3  GLY  23           1HA      GLY  23   6.694   2.896  -0.403
  170    H    SER  24           H        SER  24   7.677   4.319   1.881
  171    HA   SER  24           HA       SER  24   5.927   6.586   2.128
  172    HB2  SER  24           2HB      SER  24   7.840   7.318   3.686
  173    HB3  SER  24           1HB      SER  24   6.840   5.949   4.186
  174    HG   SER  24           HG       SER  24   9.437   6.030   3.884
  175    H    ASN  25           H        ASN  25   9.016   5.735   0.713
  176    HA   ASN  25           HA       ASN  25   9.531   8.433  -0.178
  177    HB2  ASN  25           2HB      ASN  25  10.962   5.833  -0.779
  178    HB3  ASN  25           1HB      ASN  25  11.424   7.362  -1.515
  179   HD21  ASN  25          1HD2      ASN  25  11.351   5.491   1.433
  180   HD22  ASN  25          2HD2      ASN  25  12.403   6.540   2.316
  181    H    HIS  26           H        HIS  26   8.632   5.421  -1.730
  182    HA   HIS  26           HA       HIS  26   7.399   7.018  -3.857
  183    HB2  HIS  26           2HB      HIS  26   8.503   4.203  -3.900
  184    HB3  HIS  26           1HB      HIS  26   7.372   4.753  -5.101
  185    HD1  HIS  26           1HD      HIS  26   8.253   6.247  -6.968
  186    HD2  HIS  26           2HD      HIS  26  11.001   5.292  -4.045
  187    HE1  HIS  26           1HE      HIS  26  10.482   6.964  -7.895
  188    H    ASN  27           H        ASN  27   5.285   7.056  -3.724
  189    HA   ASN  27           HA       ASN  27   4.098   5.429  -1.666
  190    HB2  ASN  27           2HB      ASN  27   2.782   7.566  -3.354
  191    HB3  ASN  27           1HB      ASN  27   2.098   6.801  -1.930
  192   HD21  ASN  27          1HD2      ASN  27   4.692   6.862  -0.471
  193   HD22  ASN  27          2HD2      ASN  27   4.934   8.520  -0.054
  194    H    TRP  28           H        TRP  28   4.537   3.550  -2.895
  195    HA   TRP  28           HA       TRP  28   2.136   2.779  -4.273
  196    HB2  TRP  28           2HB      TRP  28   3.447   1.411  -5.926
  197    HB3  TRP  28           1HB      TRP  28   3.541   3.136  -6.188
  198    HD1  TRP  28           HD       TRP  28   5.804   1.409  -3.619
  199    HE1  TRP  28           1HE      TRP  28   8.235   1.444  -4.445
  200    HE3  TRP  28           3HE      TRP  28   5.072   3.296  -8.297
  201    HZ2  TRP  28           2HZ      TRP  28   9.622   2.127  -6.651
  202    HZ3  TRP  28           3HZ      TRP  28   7.056   3.619  -9.736
  203    HH2  TRP  28           HH       TRP  28   9.292   3.052  -8.942
  204    H    CYS  29           H        CYS  29   1.952   0.483  -4.306
  205    HA   CYS  29           HA       CYS  29   2.639  -0.585  -1.746
  206    HB2  CYS  29           2HB      CYS  29   1.251  -1.816  -4.101
  207    HB3  CYS  29           1HB      CYS  29   1.414  -2.653  -2.579
  208    H    LYS  30           H        LYS  30   4.450  -1.429  -1.218
  209    HA   LYS  30           HA       LYS  30   6.222  -2.756  -3.165
  210    HB2  LYS  30           2HB      LYS  30   6.836  -1.525  -0.469
  211    HB3  LYS  30           1HB      LYS  30   8.002  -2.184  -1.610
  212    HG2  LYS  30           2HG      LYS  30   7.566  -0.395  -3.159
  213    HG3  LYS  30           1HG      LYS  30   6.230   0.161  -2.156
  214    HD2  LYS  30           2HD      LYS  30   8.074   1.639  -1.817
  215    HD3  LYS  30           1HD      LYS  30   7.878   0.680  -0.360
  216    HE2  LYS  30           2HE      LYS  30   9.885   0.061  -2.521
  217    HE3  LYS  30           1HE      LYS  30  10.250   1.087  -1.154
  218    HZ1  LYS  30           3HZ      LYS  30   9.680  -0.833   0.308
  219    HZ2  LYS  30           1HZ      LYS  30  11.028  -1.100  -0.650
  220    HZ3  LYS  30           2HZ      LYS  30   9.580  -1.817  -1.049
  221    H    LEU  31           H        LEU  31   7.550  -4.504  -2.028
  222    HA   LEU  31           HA       LEU  31   5.770  -6.337  -0.712
  223    HB2  LEU  31           2HB      LEU  31   8.733  -6.526  -1.234
  224    HB3  LEU  31           1HB      LEU  31   7.693  -7.834  -0.722
  225    HG   LEU  31           HG       LEU  31   7.540  -6.416  -3.377
  226   HD11  LEU  31          1HD1      LEU  31   9.537  -7.771  -3.162
  227   HD12  LEU  31          2HD1      LEU  31   8.392  -8.514  -4.279
  228   HD13  LEU  31          3HD1      LEU  31   8.564  -9.146  -2.640
  229   HD21  LEU  31          3HD2      LEU  31   5.984  -8.223  -3.976
  230   HD22  LEU  31          1HD2      LEU  31   5.361  -7.225  -2.662
  231   HD23  LEU  31          2HD2      LEU  31   6.046  -8.808  -2.311
  232    H    HIS  32           H        HIS  32   5.608  -6.679   1.438
  233    HA   HIS  32           HA       HIS  32   7.228  -5.034   3.153
  234    HB2  HIS  32           2HB      HIS  32   4.780  -5.318   3.553
  235    HB3  HIS  32           1HB      HIS  32   5.075  -7.024   3.879
  236    HD1  HIS  32           1HD      HIS  32   5.544  -7.599   6.293
  237    HD2  HIS  32           2HD      HIS  32   6.093  -3.570   5.467
  238    HE1  HIS  32           1HE      HIS  32   5.953  -6.474   8.514
  239    H    LEU  33           H        LEU  33   9.163  -5.846   2.931
  240    HA   LEU  33           HA       LEU  33   9.654  -8.628   3.727
  241    HB2  LEU  33           2HB      LEU  33  11.473  -6.709   2.256
  242    HB3  LEU  33           1HB      LEU  33  11.814  -8.390   2.601
  243    HG   LEU  33           HG       LEU  33   9.669  -7.371   0.736
  244   HD11  LEU  33          1HD1      LEU  33  12.298  -8.724   0.165
  245   HD12  LEU  33          2HD1      LEU  33  11.898  -7.036  -0.155
  246   HD13  LEU  33          3HD1      LEU  33  11.066  -8.321  -1.029
  247   HD21  LEU  33          3HD2      LEU  33   9.002  -9.472   1.782
  248   HD22  LEU  33          1HD2      LEU  33  10.551 -10.194   1.344
  249   HD23  LEU  33          2HD2      LEU  33   9.409  -9.725   0.087
  Start of MODEL    9
    1    H1   ASP   1           1HT      ASP   1 -11.288  -3.674  -2.872
    2    H2   ASP   1           2HT      ASP   1 -11.527  -3.854  -1.242
    3    H3   ASP   1           3HT      ASP   1 -12.236  -4.959  -2.311
    4    HA   ASP   1           HA       ASP   1 -10.300  -5.896  -1.219
    5    HB2  ASP   1           2HB      ASP   1  -9.928  -5.276  -4.154
    6    HB3  ASP   1           1HB      ASP   1  -8.878  -6.370  -3.269
    7    H    CYS   2           H        CYS   2  -7.808  -5.901  -1.552
    8    HA   CYS   2           HA       CYS   2  -6.888  -3.319  -0.653
    9    HB2  CYS   2           2HB      CYS   2  -4.794  -4.694  -0.220
   10    HB3  CYS   2           1HB      CYS   2  -6.226  -5.127   0.709
   11    H    LEU   3           H        LEU   3  -4.743  -2.580  -1.418
   12    HA   LEU   3           HA       LEU   3  -4.673  -2.442  -4.283
   13    HB2  LEU   3           2HB      LEU   3  -2.716  -1.344  -2.271
   14    HB3  LEU   3           1HB      LEU   3  -2.848  -0.898  -3.952
   15    HG   LEU   3           HG       LEU   3  -4.950  -0.387  -1.876
   16   HD11  LEU   3          1HD1      LEU   3  -4.222   1.948  -2.037
   17   HD12  LEU   3          2HD1      LEU   3  -2.928   1.467  -3.135
   18   HD13  LEU   3          3HD1      LEU   3  -2.925   0.902  -1.462
   19   HD21  LEU   3          3HD2      LEU   3  -4.675   0.612  -4.704
   20   HD22  LEU   3          1HD2      LEU   3  -5.950   1.057  -3.571
   21   HD23  LEU   3          2HD2      LEU   3  -5.827  -0.606  -4.158
   22    H    LYS   4           H        LYS   4  -3.097  -3.248  -5.588
   23    HA   LYS   4           HA       LYS   4  -1.620  -5.530  -4.519
   24    HB2  LYS   4           2HB      LYS   4  -2.236  -4.743  -7.355
   25    HB3  LYS   4           1HB      LYS   4  -1.360  -6.186  -6.866
   26    HG2  LYS   4           2HG      LYS   4  -3.336  -7.013  -5.694
   27    HG3  LYS   4           1HG      LYS   4  -4.208  -5.548  -6.139
   28    HD2  LYS   4           2HD      LYS   4  -4.778  -7.405  -7.613
   29    HD3  LYS   4           1HD      LYS   4  -3.968  -6.099  -8.487
   30    HE2  LYS   4           2HE      LYS   4  -3.169  -8.296  -9.192
   31    HE3  LYS   4           1HE      LYS   4  -1.880  -7.357  -8.452
   32    HZ1  LYS   4           3HZ      LYS   4  -2.260  -8.642  -6.383
   33    HZ2  LYS   4           1HZ      LYS   4  -1.856  -9.636  -7.694
   34    HZ3  LYS   4           2HZ      LYS   4  -3.449  -9.521  -7.181
   35    H    PHE   5           H        PHE   5   0.416  -5.937  -6.083
   36    HA   PHE   5           HA       PHE   5   2.339  -4.136  -5.131
   37    HB2  PHE   5           2HB      PHE   5   2.859  -6.489  -5.548
   38    HB3  PHE   5           1HB      PHE   5   2.609  -6.252  -7.274
   39    HD1  PHE   5           1HD      PHE   5   4.632  -4.901  -4.464
   40    HD2  PHE   5           2HD      PHE   5   4.457  -5.851  -8.604
   41    HE1  PHE   5           1HE      PHE   5   6.997  -4.306  -4.689
   42    HE2  PHE   5           2HE      PHE   5   6.832  -5.253  -8.847
   43    HZ   PHE   5           HZ       PHE   5   8.109  -4.478  -6.891
   44    H    GLY   6           H        GLY   6   3.082  -2.332  -5.850
   45    HA2  GLY   6           2HA      GLY   6   3.812  -0.763  -7.378
   46    HA3  GLY   6           1HA      GLY   6   3.135  -1.742  -8.671
   47    H    TRP   7           H        TRP   7   0.731  -1.456  -6.380
   48    HA   TRP   7           HA       TRP   7  -0.600   0.469  -8.053
   49    HB2  TRP   7           2HB      TRP   7  -1.488  -1.084  -5.624
   50    HB3  TRP   7           1HB      TRP   7  -2.483   0.184  -6.332
   51    HD1  TRP   7           HD       TRP   7  -0.573  -2.215  -8.643
   52    HE1  TRP   7           1HE      TRP   7  -2.275  -3.707  -9.870
   53    HE3  TRP   7           3HE      TRP   7  -4.795  -0.899  -6.103
   54    HZ2  TRP   7           2HZ      TRP   7  -5.034  -4.266  -9.758
   55    HZ3  TRP   7           3HZ      TRP   7  -6.915  -1.963  -6.712
   56    HH2  TRP   7           HH       TRP   7  -7.033  -3.614  -8.503
   57    H    LYS   8           H        LYS   8  -1.212   2.492  -7.510
   58    HA   LYS   8           HA       LYS   8   0.607   3.785  -5.760
   59    HB2  LYS   8           2HB      LYS   8  -1.713   4.907  -7.327
   60    HB3  LYS   8           1HB      LYS   8  -0.539   5.874  -6.449
   61    HG2  LYS   8           2HG      LYS   8   0.110   4.021  -8.739
   62    HG3  LYS   8           1HG      LYS   8  -0.055   5.772  -8.860
   63    HD2  LYS   8           2HD      LYS   8   1.837   6.097  -7.381
   64    HD3  LYS   8           1HD      LYS   8   1.952   4.366  -7.082
   65    HE2  LYS   8           2HE      LYS   8   3.648   5.071  -8.659
   66    HE3  LYS   8           1HE      LYS   8   2.487   3.995  -9.430
   67    HZ1  LYS   8           3HZ      LYS   8   3.007   5.845 -10.859
   68    HZ2  LYS   8           1HZ      LYS   8   2.553   6.953  -9.676
   69    HZ3  LYS   8           2HZ      LYS   8   1.402   5.962 -10.374
   70    H    CYS   9           H        CYS   9   0.460   4.058  -3.806
   71    HA   CYS   9           HA       CYS   9  -2.134   3.888  -2.450
   72    HB2  CYS   9           2HB      CYS   9  -0.862   2.987  -0.551
   73    HB3  CYS   9           1HB      CYS   9  -0.604   2.004  -1.990
   74    H    ASN  10           H        ASN  10  -1.905   5.019  -0.257
   75    HA   ASN  10           HA       ASN  10  -0.440   7.504  -0.642
   76    HB2  ASN  10           2HB      ASN  10  -3.112   7.028   0.740
   77    HB3  ASN  10           1HB      ASN  10  -2.136   8.459   1.050
   78   HD21  ASN  10          1HD2      ASN  10  -3.750   9.741   0.303
   79   HD22  ASN  10          2HD2      ASN  10  -4.150   9.797  -1.371
   80    HA   PRO  11           HA       PRO  11   2.091   5.673   2.471
   81    HB2  PRO  11           2HB      PRO  11   3.556   7.900   3.085
   82    HB3  PRO  11           1HB      PRO  11   3.834   6.889   1.666
   83    HG2  PRO  11           2HG      PRO  11   2.293   9.443   1.888
   84    HG3  PRO  11           1HG      PRO  11   3.470   8.958   0.652
   85    HD2  PRO  11           2HD      PRO  11   0.866   8.826   0.179
   86    HD3  PRO  11           1HD      PRO  11   1.954   7.549  -0.408
   87    H    ARG  12           H        ARG  12  -0.185   8.034   3.116
   88    HA   ARG  12           HA       ARG  12   0.403   8.339   5.931
   89    HB2  ARG  12           2HB      ARG  12  -1.979   9.128   4.299
   90    HB3  ARG  12           1HB      ARG  12  -1.826   9.441   6.015
   91    HG2  ARG  12           2HG      ARG  12  -0.023  10.470   3.833
   92    HG3  ARG  12           1HG      ARG  12  -1.266  11.418   4.656
   93    HD2  ARG  12           2HD      ARG  12  -0.019  11.157   6.765
   94    HD3  ARG  12           1HD      ARG  12   1.203  10.208   5.915
   95    HE   ARG  12           HE       ARG  12   0.815  12.680   4.651
   96   HH11  ARG  12          1HH1      ARG  12   2.373  11.285   7.511
   97   HH12  ARG  12          2HH1      ARG  12   3.532  12.521   7.655
   98   HH21  ARG  12          1HH2      ARG  12   2.432  14.342   4.832
   99   HH22  ARG  12          2HH2      ARG  12   3.577  14.301   6.091
  100    H    ASN  13           H        ASN  13  -1.501   6.252   3.959
  101    HA   ASN  13           HA       ASN  13  -2.164   4.633   6.253
  102    HB2  ASN  13           2HB      ASN  13  -4.034   6.200   6.299
  103    HB3  ASN  13           1HB      ASN  13  -4.362   5.899   4.599
  104   HD21  ASN  13          1HD2      ASN  13  -5.467   4.088   4.026
  105   HD22  ASN  13          2HD2      ASN  13  -6.218   3.023   5.168
  106    H    ASP  14           H        ASP  14  -1.510   2.748   5.605
  107    HA   ASP  14           HA       ASP  14  -1.177   1.911   2.925
  108    HB2  ASP  14           2HB      ASP  14   0.254   1.019   4.675
  109    HB3  ASP  14           1HB      ASP  14  -1.160   0.360   5.495
  110    H    LYS  15           H        LYS  15  -2.548   1.056   1.577
  111    HA   LYS  15           HA       LYS  15  -4.869  -0.419   2.599
  112    HB2  LYS  15           2HB      LYS  15  -4.613   1.317   0.146
  113    HB3  LYS  15           1HB      LYS  15  -5.958   0.228   0.405
  114    HG2  LYS  15           2HG      LYS  15  -5.211   2.499   2.234
  115    HG3  LYS  15           1HG      LYS  15  -6.450   2.589   0.985
  116    HD2  LYS  15           2HD      LYS  15  -6.424   0.706   3.327
  117    HD3  LYS  15           1HD      LYS  15  -7.402   2.165   3.215
  118    HE2  LYS  15           2HE      LYS  15  -7.619  -0.307   1.466
  119    HE3  LYS  15           1HE      LYS  15  -8.764   0.220   2.685
  120    HZ1  LYS  15           3HZ      LYS  15  -9.499   0.767   0.454
  121    HZ2  LYS  15           1HZ      LYS  15  -8.128   1.677   0.174
  122    HZ3  LYS  15           2HZ      LYS  15  -9.251   2.192   1.320
  123    H    CYS  16           H        CYS  16  -2.038  -1.120   1.721
  124    HA   CYS  16           HA       CYS  16  -2.503  -2.622  -0.696
  125    HB2  CYS  16           2HB      CYS  16  -0.077  -2.628   1.105
  126    HB3  CYS  16           1HB      CYS  16  -0.145  -3.211  -0.552
  127    H    CYS  17           H        CYS  17  -2.090  -4.953  -0.799
  128    HA   CYS  17           HA       CYS  17  -3.675  -6.382   1.006
  129    HB2  CYS  17           2HB      CYS  17  -1.701  -7.374  -1.038
  130    HB3  CYS  17           1HB      CYS  17  -2.923  -8.363  -0.244
  131    H    SER  18           H        SER  18  -2.969  -8.457   2.125
  132    HA   SER  18           HA       SER  18  -1.104  -7.839   4.122
  133    HB2  SER  18           2HB      SER  18  -2.355 -10.497   3.397
  134    HB3  SER  18           1HB      SER  18  -1.633 -10.074   4.953
  135    HG   SER  18           HG       SER  18  -3.326  -8.912   5.463
  136    H    GLY  19           H        GLY  19   1.022  -8.181   4.182
  137    HA2  GLY  19           2HA      GLY  19   3.019  -9.353   3.740
  138    HA3  GLY  19           1HA      GLY  19   2.245 -10.108   2.346
  139    H    LEU  20           H        LEU  20   1.209  -7.184   1.993
  140    HA   LEU  20           HA       LEU  20   3.491  -6.220   0.437
  141    HB2  LEU  20           2HB      LEU  20   1.225  -7.060  -0.582
  142    HB3  LEU  20           1HB      LEU  20   0.594  -5.558   0.050
  143    HG   LEU  20           HG       LEU  20   2.259  -4.346  -1.346
  144   HD11  LEU  20          1HD1      LEU  20   3.310  -5.627  -3.162
  145   HD12  LEU  20          2HD1      LEU  20   2.686  -7.119  -2.431
  146   HD13  LEU  20          3HD1      LEU  20   3.862  -6.138  -1.566
  147   HD21  LEU  20          3HD2      LEU  20   0.376  -6.209  -2.759
  148   HD22  LEU  20          1HD2      LEU  20   1.064  -4.729  -3.413
  149   HD23  LEU  20          2HD2      LEU  20  -0.051  -4.654  -2.046
  150    H    LYS  21           H        LYS  21   3.761  -3.840   0.656
  151    HA   LYS  21           HA       LYS  21   2.008  -2.575   2.589
  152    HB2  LYS  21           2HB      LYS  21   3.726  -3.707   3.931
  153    HB3  LYS  21           1HB      LYS  21   4.949  -2.775   3.061
  154    HG2  LYS  21           2HG      LYS  21   4.531  -1.874   5.305
  155    HG3  LYS  21           1HG      LYS  21   4.119  -0.720   4.040
  156    HD2  LYS  21           2HD      LYS  21   2.450  -0.742   5.832
  157    HD3  LYS  21           1HD      LYS  21   1.755  -1.252   4.302
  158    HE2  LYS  21           2HE      LYS  21   1.948  -3.605   5.014
  159    HE3  LYS  21           1HE      LYS  21   2.617  -3.075   6.558
  160    HZ1  LYS  21           3HZ      LYS  21   0.546  -1.995   7.071
  161    HZ2  LYS  21           1HZ      LYS  21   0.219  -3.581   6.638
  162    HZ3  LYS  21           2HZ      LYS  21  -0.086  -2.343   5.543
  163    H    CYS  22           H        CYS  22   1.718  -0.620   2.173
  164    HA   CYS  22           HA       CYS  22   2.912   0.799   0.023
  165    HB2  CYS  22           2HB      CYS  22   0.624   1.285   0.867
  166    HB3  CYS  22           1HB      CYS  22   1.314   1.837   2.388
  167    H    GLY  23           H        GLY  23   4.640   2.157   0.066
  168    HA2  GLY  23           2HA      GLY  23   6.207   2.040   2.482
  169    HA3  GLY  23           1HA      GLY  23   6.773   2.754   0.993
  170    H    SER  24           H        SER  24   6.621   3.600   3.808
  171    HA   SER  24           HA       SER  24   4.797   5.742   4.040
  172    HB2  SER  24           2HB      SER  24   6.368   6.363   5.958
  173    HB3  SER  24           1HB      SER  24   5.648   4.755   6.021
  174    HG   SER  24           HG       SER  24   8.205   5.416   5.997
  175    H    ASN  25           H        ASN  25   7.902   5.374   2.652
  176    HA   ASN  25           HA       ASN  25   8.058   8.232   1.976
  177    HB2  ASN  25           2HB      ASN  25  10.213   6.102   2.087
  178    HB3  ASN  25           1HB      ASN  25  10.467   7.681   1.365
  179   HD21  ASN  25          1HD2      ASN  25  10.598   9.466   2.694
  180   HD22  ASN  25          2HD2      ASN  25  10.831   9.350   4.408
  181    H    HIS  26           H        HIS  26   6.432   5.999   0.699
  182    HA   HIS  26           HA       HIS  26   7.464   6.296  -2.031
  183    HB2  HIS  26           2HB      HIS  26   6.451   3.717  -0.788
  184    HB3  HIS  26           1HB      HIS  26   6.654   3.966  -2.507
  185    HD1  HIS  26           1HD      HIS  26   8.725   3.588   0.676
  186    HD2  HIS  26           2HD      HIS  26   9.130   3.673  -3.449
  187    HE1  HIS  26           1HE      HIS  26  11.056   2.827   0.208
  188    H    ASN  27           H        ASN  27   5.669   5.527  -3.596
  189    HA   ASN  27           HA       ASN  27   3.044   6.323  -2.550
  190    HB2  ASN  27           2HB      ASN  27   4.264   7.034  -5.215
  191    HB3  ASN  27           1HB      ASN  27   2.543   7.143  -4.911
  192   HD21  ASN  27          1HD2      ASN  27   3.134   8.046  -2.096
  193   HD22  ASN  27          2HD2      ASN  27   3.562   9.700  -2.281
  194    H    TRP  28           H        TRP  28   4.473   3.786  -3.130
  195    HA   TRP  28           HA       TRP  28   2.182   2.603  -4.414
  196    HB2  TRP  28           2HB      TRP  28   3.570   1.133  -5.890
  197    HB3  TRP  28           1HB      TRP  28   3.555   2.824  -6.329
  198    HD1  TRP  28           HD       TRP  28   5.907   1.273  -3.679
  199    HE1  TRP  28           1HE      TRP  28   8.339   1.567  -4.497
  200    HE3  TRP  28           3HE      TRP  28   4.993   3.225  -8.283
  201    HZ2  TRP  28           2HZ      TRP  28   9.640   2.433  -6.684
  202    HZ3  TRP  28           3HZ      TRP  28   6.923   3.773  -9.726
  203    HH2  TRP  28           HH       TRP  28   9.214   3.395  -8.953
  204    H    CYS  29           H        CYS  29   1.930   0.468  -4.169
  205    HA   CYS  29           HA       CYS  29   2.619  -0.600  -1.632
  206    HB2  CYS  29           2HB      CYS  29   1.330  -1.756  -4.071
  207    HB3  CYS  29           1HB      CYS  29   1.435  -2.648  -2.579
  208    H    LYS  30           H        LYS  30   4.621  -1.351  -1.210
  209    HA   LYS  30           HA       LYS  30   6.087  -2.749  -3.338
  210    HB2  LYS  30           2HB      LYS  30   7.102  -1.687  -0.696
  211    HB3  LYS  30           1HB      LYS  30   8.063  -2.528  -1.892
  212    HG2  LYS  30           2HG      LYS  30   7.612  -0.605  -3.472
  213    HG3  LYS  30           1HG      LYS  30   6.821   0.211  -2.120
  214    HD2  LYS  30           2HD      LYS  30   9.069   1.005  -2.246
  215    HD3  LYS  30           1HD      LYS  30   8.947  -0.039  -0.830
  216    HE2  LYS  30           2HE      LYS  30   9.896  -1.905  -2.187
  217    HE3  LYS  30           1HE      LYS  30  10.081  -0.763  -3.524
  218    HZ1  LYS  30           3HZ      LYS  30  12.129  -1.089  -2.312
  219    HZ2  LYS  30           1HZ      LYS  30  11.418  -0.593  -0.879
  220    HZ3  LYS  30           2HZ      LYS  30  11.631   0.498  -2.151
  221    H    LEU  31           H        LEU  31   7.452  -4.578  -2.474
  222    HA   LEU  31           HA       LEU  31   5.785  -6.477  -1.128
  223    HB2  LEU  31           2HB      LEU  31   8.694  -6.592  -1.941
  224    HB3  LEU  31           1HB      LEU  31   7.747  -7.953  -1.385
  225    HG   LEU  31           HG       LEU  31   7.173  -6.406  -3.913
  226   HD11  LEU  31          1HD1      LEU  31   8.088  -8.358  -5.079
  227   HD12  LEU  31          2HD1      LEU  31   8.590  -9.038  -3.529
  228   HD13  LEU  31          3HD1      LEU  31   9.302  -7.534  -4.103
  229   HD21  LEU  31          3HD2      LEU  31   5.731  -8.319  -4.442
  230   HD22  LEU  31          1HD2      LEU  31   5.210  -7.506  -2.967
  231   HD23  LEU  31          2HD2      LEU  31   6.096  -9.026  -2.868
  232    H    HIS  32           H        HIS  32   5.758  -6.884   1.018
  233    HA   HIS  32           HA       HIS  32   7.659  -5.405   2.649
  234    HB2  HIS  32           2HB      HIS  32   5.203  -5.274   3.155
  235    HB3  HIS  32           1HB      HIS  32   5.243  -6.999   3.511
  236    HD1  HIS  32           1HD      HIS  32   6.252  -7.700   5.798
  237    HD2  HIS  32           2HD      HIS  32   6.330  -3.612   5.101
  238    HE1  HIS  32           1HE      HIS  32   6.773  -6.627   8.015
  239    H    LEU  33           H        LEU  33   9.382  -6.595   2.237
  240    HA   LEU  33           HA       LEU  33   9.333  -9.413   2.971
  241    HB2  LEU  33           2HB      LEU  33  10.182  -8.785   0.716
  242    HB3  LEU  33           1HB      LEU  33  11.444  -7.847   1.481
  243    HG   LEU  33           HG       LEU  33  12.406  -9.904   2.425
  244   HD11  LEU  33          1HD1      LEU  33  11.593 -12.084   1.673
  245   HD12  LEU  33          2HD1      LEU  33  10.234 -11.300   0.866
  246   HD13  LEU  33          3HD1      LEU  33  10.377 -11.233   2.623
  247   HD21  LEU  33          3HD2      LEU  33  13.212 -10.858   0.320
  248   HD22  LEU  33          1HD2      LEU  33  13.190  -9.095   0.268
  249   HD23  LEU  33          2HD2      LEU  33  11.929 -10.019  -0.549
  Start of MODEL   10
    1    H1   ASP   1           1HT      ASP   1 -11.264  -2.453  -0.444
    2    H2   ASP   1           2HT      ASP   1 -10.804  -3.320   0.899
    3    H3   ASP   1           3HT      ASP   1 -12.195  -3.777   0.054
    4    HA   ASP   1           HA       ASP   1 -10.277  -5.218  -0.393
    5    HB2  ASP   1           2HB      ASP   1 -10.309  -5.096  -2.869
    6    HB3  ASP   1           1HB      ASP   1 -11.925  -4.961  -2.196
    7    H    CYS   2           H        CYS   2  -8.142  -5.456  -1.168
    8    HA   CYS   2           HA       CYS   2  -6.666  -3.096  -0.409
    9    HB2  CYS   2           2HB      CYS   2  -4.725  -4.648  -0.165
   10    HB3  CYS   2           1HB      CYS   2  -6.089  -5.015   0.876
   11    H    LEU   3           H        LEU   3  -4.573  -2.738  -1.411
   12    HA   LEU   3           HA       LEU   3  -4.878  -2.487  -4.285
   13    HB2  LEU   3           2HB      LEU   3  -2.713  -1.479  -2.448
   14    HB3  LEU   3           1HB      LEU   3  -2.986  -0.997  -4.107
   15    HG   LEU   3           HG       LEU   3  -4.890  -0.471  -1.844
   16   HD11  LEU   3          1HD1      LEU   3  -2.907   1.351  -3.201
   17   HD12  LEU   3          2HD1      LEU   3  -2.841   0.774  -1.531
   18   HD13  LEU   3          3HD1      LEU   3  -4.134   1.860  -2.040
   19   HD21  LEU   3          3HD2      LEU   3  -5.952  -0.633  -4.027
   20   HD22  LEU   3          1HD2      LEU   3  -4.812   0.545  -4.666
   21   HD23  LEU   3          2HD2      LEU   3  -5.975   1.028  -3.427
   22    H    LYS   4           H        LYS   4  -3.340  -3.254  -5.719
   23    HA   LYS   4           HA       LYS   4  -2.053  -5.708  -4.837
   24    HB2  LYS   4           2HB      LYS   4  -2.495  -4.611  -7.605
   25    HB3  LYS   4           1HB      LYS   4  -1.832  -6.191  -7.234
   26    HG2  LYS   4           2HG      LYS   4  -3.972  -6.777  -6.133
   27    HG3  LYS   4           1HG      LYS   4  -4.612  -5.210  -6.625
   28    HD2  LYS   4           2HD      LYS   4  -5.346  -6.866  -8.217
   29    HD3  LYS   4           1HD      LYS   4  -4.151  -5.816  -8.977
   30    HE2  LYS   4           2HE      LYS   4  -3.787  -8.167  -9.561
   31    HE3  LYS   4           1HE      LYS   4  -2.422  -7.505  -8.676
   32    HZ1  LYS   4           3HZ      LYS   4  -4.570  -9.210  -7.521
   33    HZ2  LYS   4           1HZ      LYS   4  -3.247  -8.596  -6.672
   34    HZ3  LYS   4           2HZ      LYS   4  -3.011  -9.713  -7.908
   35    H    PHE   5           H        PHE   5  -0.026  -6.177  -6.259
   36    HA   PHE   5           HA       PHE   5   2.027  -4.486  -5.289
   37    HB2  PHE   5           2HB      PHE   5   2.362  -6.906  -5.630
   38    HB3  PHE   5           1HB      PHE   5   2.172  -6.689  -7.365
   39    HD1  PHE   5           2HD      PHE   5   4.293  -5.863  -4.486
   40    HD2  PHE   5           1HD      PHE   5   4.007  -6.046  -8.712
   41    HE1  PHE   5           2HE      PHE   5   6.712  -5.440  -4.660
   42    HE2  PHE   5           1HE      PHE   5   6.419  -5.626  -8.904
   43    HZ   PHE   5           HZ       PHE   5   7.779  -5.321  -6.873
   44    H    GLY   6           H        GLY   6   2.719  -2.644  -6.102
   45    HA2  GLY   6           2HA      GLY   6   3.626  -1.321  -7.810
   46    HA3  GLY   6           1HA      GLY   6   2.776  -2.299  -9.000
   47    H    TRP   7           H        TRP   7   0.638  -1.618  -6.552
   48    HA   TRP   7           HA       TRP   7  -0.585   0.431  -8.200
   49    HB2  TRP   7           2HB      TRP   7  -1.558  -1.156  -5.827
   50    HB3  TRP   7           1HB      TRP   7  -2.469   0.203  -6.477
   51    HD1  TRP   7           HD       TRP   7  -0.708  -2.237  -8.868
   52    HE1  TRP   7           1HE      TRP   7  -2.504  -3.545 -10.167
   53    HE3  TRP   7           3HE      TRP   7  -4.849  -0.683  -6.321
   54    HZ2  TRP   7           2HZ      TRP   7  -5.295  -3.871 -10.118
   55    HZ3  TRP   7           3HZ      TRP   7  -7.039  -1.542  -7.011
   56    HH2  TRP   7           HH       TRP   7  -7.256  -3.106  -8.869
   57    H    LYS   8           H        LYS   8  -1.056   2.504  -7.477
   58    HA   LYS   8           HA       LYS   8   0.869   3.469  -5.622
   59    HB2  LYS   8           2HB      LYS   8  -1.286   4.902  -7.119
   60    HB3  LYS   8           1HB      LYS   8  -0.221   5.689  -5.969
   61    HG2  LYS   8           2HG      LYS   8   1.652   4.650  -7.467
   62    HG3  LYS   8           1HG      LYS   8   0.361   4.623  -8.678
   63    HD2  LYS   8           2HD      LYS   8   1.223   6.988  -7.060
   64    HD3  LYS   8           1HD      LYS   8   1.647   6.730  -8.761
   65    HE2  LYS   8           2HE      LYS   8  -0.723   6.877  -9.360
   66    HE3  LYS   8           1HE      LYS   8  -1.159   7.045  -7.661
   67    HZ1  LYS   8           3HZ      LYS   8   0.449   8.974  -9.248
   68    HZ2  LYS   8           1HZ      LYS   8   0.102   9.103  -7.600
   69    HZ3  LYS   8           2HZ      LYS   8  -1.143   9.180  -8.717
   70    H    CYS   9           H        CYS   9   0.375   4.897  -3.933
   71    HA   CYS   9           HA       CYS   9  -2.147   4.517  -2.597
   72    HB2  CYS   9           2HB      CYS   9  -1.087   3.555  -0.589
   73    HB3  CYS   9           1HB      CYS   9  -0.961   2.485  -1.985
   74    H    ASN  10           H        ASN  10  -2.080   5.674  -0.501
   75    HA   ASN  10           HA       ASN  10  -0.371   8.027  -0.607
   76    HB2  ASN  10           2HB      ASN  10  -2.892   7.416   0.978
   77    HB3  ASN  10           1HB      ASN  10  -1.954   8.883   1.170
   78   HD21  ASN  10          1HD2      ASN  10  -4.707   8.494   0.398
   79   HD22  ASN  10          2HD2      ASN  10  -4.910   9.272  -1.127
   80    HA   PRO  11           HA       PRO  11   2.112   5.637   2.264
   81    HB2  PRO  11           2HB      PRO  11   3.658   7.716   3.177
   82    HB3  PRO  11           1HB      PRO  11   3.938   6.846   1.671
   83    HG2  PRO  11           2HG      PRO  11   2.506   9.439   2.103
   84    HG3  PRO  11           1HG      PRO  11   3.700   9.016   0.858
   85    HD2  PRO  11           2HD      PRO  11   1.112   9.056   0.292
   86    HD3  PRO  11           1HD      PRO  11   2.147   7.770  -0.367
   87    H    ARG  12           H        ARG  12   0.051   8.152   3.175
   88    HA   ARG  12           HA       ARG  12   0.502   7.936   6.029
   89    HB2  ARG  12           2HB      ARG  12  -1.500   9.374   4.357
   90    HB3  ARG  12           1HB      ARG  12  -1.634   9.286   6.101
   91    HG2  ARG  12           2HG      ARG  12   0.663  10.491   4.532
   92    HG3  ARG  12           1HG      ARG  12  -0.600  11.407   5.355
   93    HD2  ARG  12           2HD      ARG  12   1.479   9.626   6.628
   94    HD3  ARG  12           1HD      ARG  12   1.395  11.381   6.704
   95    HE   ARG  12           HE       ARG  12  -0.878  10.886   7.794
   96   HH11  ARG  12          1HH1      ARG  12   2.097   9.040   8.305
   97   HH12  ARG  12          2HH1      ARG  12   1.695   8.524   9.875
   98   HH21  ARG  12          1HH2      ARG  12  -1.441  10.177   9.985
   99   HH22  ARG  12          2HH2      ARG  12  -0.342   9.187  10.838
  100    H    ASN  13           H        ASN  13  -1.337   6.324   3.697
  101    HA   ASN  13           HA       ASN  13  -2.756   4.833   5.783
  102    HB2  ASN  13           2HB      ASN  13  -4.289   6.616   5.018
  103    HB3  ASN  13           1HB      ASN  13  -4.143   6.012   3.374
  104   HD21  ASN  13          1HD2      ASN  13  -6.241   5.506   3.140
  105   HD22  ASN  13          2HD2      ASN  13  -7.058   4.263   4.009
  106    H    ASP  14           H        ASP  14  -1.775   2.921   5.402
  107    HA   ASP  14           HA       ASP  14  -1.238   1.882   2.791
  108    HB2  ASP  14           2HB      ASP  14   0.190   1.118   4.604
  109    HB3  ASP  14           1HB      ASP  14  -1.243   0.581   5.486
  110    H    LYS  15           H        LYS  15  -2.593   1.010   1.501
  111    HA   LYS  15           HA       LYS  15  -4.875  -0.481   2.572
  112    HB2  LYS  15           2HB      LYS  15  -4.691   1.212   0.077
  113    HB3  LYS  15           1HB      LYS  15  -6.008   0.097   0.382
  114    HG2  LYS  15           2HG      LYS  15  -5.296   2.460   2.113
  115    HG3  LYS  15           1HG      LYS  15  -6.563   2.442   0.887
  116    HD2  LYS  15           2HD      LYS  15  -6.439   0.662   3.316
  117    HD3  LYS  15           1HD      LYS  15  -7.449   2.101   3.174
  118    HE2  LYS  15           2HE      LYS  15  -8.579   1.019   1.199
  119    HE3  LYS  15           1HE      LYS  15  -7.656  -0.442   1.535
  120    HZ1  LYS  15           3HZ      LYS  15  -8.751  -0.533   3.743
  121    HZ2  LYS  15           1HZ      LYS  15  -9.851  -0.595   2.479
  122    HZ3  LYS  15           2HZ      LYS  15  -9.646   0.821   3.346
  123    H    CYS  16           H        CYS  16  -2.034  -1.148   1.755
  124    HA   CYS  16           HA       CYS  16  -2.456  -2.684  -0.663
  125    HB2  CYS  16           2HB      CYS  16  -0.061  -2.682   1.165
  126    HB3  CYS  16           1HB      CYS  16  -0.104  -3.247  -0.493
  127    H    CYS  17           H        CYS  17  -2.119  -5.003  -0.735
  128    HA   CYS  17           HA       CYS  17  -3.536  -6.400   1.287
  129    HB2  CYS  17           2HB      CYS  17  -1.783  -7.510  -0.911
  130    HB3  CYS  17           1HB      CYS  17  -3.046  -8.382  -0.053
  131    H    SER  18           H        SER  18  -2.565  -8.381   2.420
  132    HA   SER  18           HA       SER  18  -0.374  -7.572   3.967
  133    HB2  SER  18           2HB      SER  18  -1.686 -10.277   3.723
  134    HB3  SER  18           1HB      SER  18  -0.579  -9.789   5.014
  135    HG   SER  18           HG       SER  18  -2.288  -7.899   4.926
  136    H    GLY  19           H        GLY  19   1.730  -8.265   4.044
  137    HA2  GLY  19           2HA      GLY  19   3.693  -9.286   3.269
  138    HA3  GLY  19           1HA      GLY  19   2.800  -9.926   1.888
  139    H    LEU  20           H        LEU  20   1.625  -7.145   1.764
  140    HA   LEU  20           HA       LEU  20   3.689  -5.844   0.157
  141    HB2  LEU  20           2HB      LEU  20   1.517  -6.930  -0.801
  142    HB3  LEU  20           1HB      LEU  20   0.705  -5.612   0.008
  143    HG   LEU  20           HG       LEU  20   1.990  -4.032  -1.365
  144   HD11  LEU  20          1HD1      LEU  20   3.867  -5.511  -1.821
  145   HD12  LEU  20          2HD1      LEU  20   3.127  -4.887  -3.299
  146   HD13  LEU  20          3HD1      LEU  20   2.805  -6.554  -2.771
  147   HD21  LEU  20          3HD2      LEU  20   0.404  -6.122  -2.818
  148   HD22  LEU  20          1HD2      LEU  20   0.755  -4.508  -3.414
  149   HD23  LEU  20          2HD2      LEU  20  -0.266  -4.715  -1.984
  150    H    LYS  21           H        LYS  21   3.799  -3.546   0.610
  151    HA   LYS  21           HA       LYS  21   1.944  -2.539   2.608
  152    HB2  LYS  21           2HB      LYS  21   3.941  -3.613   3.777
  153    HB3  LYS  21           1HB      LYS  21   4.885  -2.304   3.067
  154    HG2  LYS  21           2HG      LYS  21   4.375  -1.738   5.340
  155    HG3  LYS  21           1HG      LYS  21   3.447  -0.682   4.273
  156    HD2  LYS  21           2HD      LYS  21   1.462  -2.022   4.599
  157    HD3  LYS  21           1HD      LYS  21   2.373  -3.194   5.548
  158    HE2  LYS  21           2HE      LYS  21   1.828  -0.318   6.293
  159    HE3  LYS  21           1HE      LYS  21   1.027  -1.727   6.959
  160    HZ1  LYS  21           3HZ      LYS  21   2.719  -1.005   8.470
  161    HZ2  LYS  21           1HZ      LYS  21   3.911  -1.066   7.276
  162    HZ3  LYS  21           2HZ      LYS  21   3.179  -2.478   7.824
  163    H    CYS  22           H        CYS  22   1.601  -0.495   2.389
  164    HA   CYS  22           HA       CYS  22   3.129   1.049   0.478
  165    HB2  CYS  22           2HB      CYS  22   0.645   1.261   0.531
  166    HB3  CYS  22           1HB      CYS  22   0.755   1.817   2.198
  167    H    GLY  23           H        GLY  23   5.033   1.481   1.415
  168    HA2  GLY  23           2HA      GLY  23   5.416   1.904   4.182
  169    HA3  GLY  23           1HA      GLY  23   6.582   2.258   2.913
  170    H    SER  24           H        SER  24   6.249   3.847   5.154
  171    HA   SER  24           HA       SER  24   4.518   6.026   4.725
  172    HB2  SER  24           2HB      SER  24   6.106   7.056   6.518
  173    HB3  SER  24           1HB      SER  24   5.088   5.680   6.951
  174    HG   SER  24           HG       SER  24   6.748   4.426   7.052
  175    H    ASN  25           H        ASN  25   7.539   5.210   3.432
  176    HA   ASN  25           HA       ASN  25   7.896   7.933   2.350
  177    HB2  ASN  25           2HB      ASN  25   9.905   5.679   2.518
  178    HB3  ASN  25           1HB      ASN  25  10.210   7.253   1.807
  179   HD21  ASN  25          1HD2      ASN  25  10.449   9.013   3.155
  180   HD22  ASN  25          2HD2      ASN  25  10.755   8.853   4.841
  181    H    HIS  26           H        HIS  26   6.251   5.391   1.513
  182    HA   HIS  26           HA       HIS  26   7.361   5.069  -1.186
  183    HB2  HIS  26           2HB      HIS  26   5.239   3.459   0.265
  184    HB3  HIS  26           1HB      HIS  26   5.666   3.265  -1.439
  185    HD1  HIS  26           1HD      HIS  26   6.309   0.836  -1.090
  186    HD2  HIS  26           2HD      HIS  26   8.373   3.553   1.204
  187    HE1  HIS  26           1HE      HIS  26   8.192  -0.489  -0.023
  188    H    ASN  27           H        ASN  27   5.695   4.899  -2.902
  189    HA   ASN  27           HA       ASN  27   3.284   6.507  -2.435
  190    HB2  ASN  27           2HB      ASN  27   4.964   7.890  -3.629
  191    HB3  ASN  27           1HB      ASN  27   5.182   6.606  -4.802
  192   HD21  ASN  27          1HD2      ASN  27   2.029   7.680  -3.613
  193   HD22  ASN  27          2HD2      ASN  27   1.505   8.344  -5.101
  194    H    TRP  28           H        TRP  28   4.289   3.710  -2.723
  195    HA   TRP  28           HA       TRP  28   2.213   2.659  -4.394
  196    HB2  TRP  28           2HB      TRP  28   3.860   1.211  -5.693
  197    HB3  TRP  28           1HB      TRP  28   3.725   2.895  -6.170
  198    HD1  TRP  28           HD       TRP  28   5.846   1.939  -3.134
  199    HE1  TRP  28           1HE      TRP  28   8.302   2.352  -3.645
  200    HE3  TRP  28           3HE      TRP  28   5.465   2.989  -8.117
  201    HZ2  TRP  28           2HZ      TRP  28   9.879   2.955  -5.824
  202    HZ3  TRP  28           3HZ      TRP  28   7.533   3.467  -9.359
  203    HH2  TRP  28           HH       TRP  28   9.703   3.461  -8.244
  204    H    CYS  29           H        CYS  29   1.914   0.494  -4.232
  205    HA   CYS  29           HA       CYS  29   2.565  -0.710  -1.718
  206    HB2  CYS  29           2HB      CYS  29   1.067  -1.644  -4.142
  207    HB3  CYS  29           1HB      CYS  29   1.245  -2.627  -2.709
  208    H    LYS  30           H        LYS  30   4.569  -1.489  -1.486
  209    HA   LYS  30           HA       LYS  30   5.618  -3.252  -3.617
  210    HB2  LYS  30           2HB      LYS  30   7.204  -1.581  -1.661
  211    HB3  LYS  30           1HB      LYS  30   7.902  -2.836  -2.664
  212    HG2  LYS  30           2HG      LYS  30   7.187  -1.546  -4.680
  213    HG3  LYS  30           1HG      LYS  30   6.630  -0.264  -3.610
  214    HD2  LYS  30           2HD      LYS  30   8.812   0.285  -4.430
  215    HD3  LYS  30           1HD      LYS  30   8.911  -0.068  -2.708
  216    HE2  LYS  30           2HE      LYS  30  10.775  -1.039  -3.958
  217    HE3  LYS  30           1HE      LYS  30   9.798  -2.282  -3.191
  218    HZ1  LYS  30           3HZ      LYS  30  10.437  -2.814  -5.486
  219    HZ2  LYS  30           1HZ      LYS  30   9.578  -1.492  -6.050
  220    HZ3  LYS  30           2HZ      LYS  30   8.779  -2.777  -5.303
  221    H    LEU  31           H        LEU  31   7.005  -5.031  -2.802
  222    HA   LEU  31           HA       LEU  31   5.641  -6.410  -0.714
  223    HB2  LEU  31           2HB      LEU  31   8.187  -7.037  -2.205
  224    HB3  LEU  31           1HB      LEU  31   7.489  -8.100  -1.004
  225    HG   LEU  31           HG       LEU  31   6.137  -7.297  -3.585
  226   HD11  LEU  31          1HD1      LEU  31   6.604  -9.601  -4.273
  227   HD12  LEU  31          2HD1      LEU  31   7.531  -9.848  -2.794
  228   HD13  LEU  31          3HD1      LEU  31   8.084  -8.683  -3.999
  229   HD21  LEU  31          3HD2      LEU  31   4.572  -9.099  -3.021
  230   HD22  LEU  31          1HD2      LEU  31   4.553  -7.830  -1.798
  231   HD23  LEU  31          2HD2      LEU  31   5.404  -9.342  -1.487
  232    H    HIS  32           H        HIS  32   6.041  -6.417   1.362
  233    HA   HIS  32           HA       HIS  32   8.625  -5.485   2.304
  234    HB2  HIS  32           2HB      HIS  32   6.994  -3.565   2.086
  235    HB3  HIS  32           1HB      HIS  32   6.025  -4.357   3.311
  236    HD1  HIS  32           1HD      HIS  32   8.832  -2.053   2.931
  237    HD2  HIS  32           2HD      HIS  32   7.407  -4.595   5.884
  238    HE1  HIS  32           1HE      HIS  32   9.843  -1.257   5.092
  239    H    LEU  33           H        LEU  33   9.175  -7.226   3.381
  240    HA   LEU  33           HA       LEU  33   7.237  -8.369   5.230
  241    HB2  LEU  33           2HB      LEU  33   9.482  -9.755   3.743
  242    HB3  LEU  33           1HB      LEU  33   8.639 -10.473   5.094
  243    HG   LEU  33           HG       LEU  33   7.751 -11.455   3.166
  244   HD11  LEU  33          1HD1      LEU  33   6.094 -10.948   4.800
  245   HD12  LEU  33          2HD1      LEU  33   5.411 -10.832   3.177
  246   HD13  LEU  33          3HD1      LEU  33   5.808  -9.367   4.070
  247   HD21  LEU  33          3HD2      LEU  33   8.498  -9.897   1.458
  248   HD22  LEU  33          1HD2      LEU  33   7.321  -8.700   2.002
  249   HD23  LEU  33          2HD2      LEU  33   6.772 -10.210   1.275
  Start of MODEL   11
    1    H1   ASP   1           1HT      ASP   1 -11.394  -3.394  -0.938
    2    H2   ASP   1           2HT      ASP   1 -10.794  -4.617  -0.006
    3    H3   ASP   1           3HT      ASP   1 -12.089  -4.942  -1.056
    4    HA   ASP   1           HA       ASP   1 -10.045  -5.791  -1.951
    5    HB2  ASP   1           2HB      ASP   1  -9.922  -4.530  -4.087
    6    HB3  ASP   1           1HB      ASP   1 -11.582  -4.841  -3.613
    7    H    CYS   2           H        CYS   2  -7.907  -5.745  -1.929
    8    HA   CYS   2           HA       CYS   2  -6.686  -3.492  -0.576
    9    HB2  CYS   2           2HB      CYS   2  -4.719  -4.997  -0.387
   10    HB3  CYS   2           1HB      CYS   2  -6.182  -5.654   0.333
   11    H    LEU   3           H        LEU   3  -4.613  -2.679  -1.311
   12    HA   LEU   3           HA       LEU   3  -4.520  -2.302  -4.180
   13    HB2  LEU   3           2HB      LEU   3  -2.650  -1.298  -2.027
   14    HB3  LEU   3           1HB      LEU   3  -2.690  -0.785  -3.691
   15    HG   LEU   3           HG       LEU   3  -4.918  -0.345  -1.735
   16   HD11  LEU   3          1HD1      LEU   3  -4.124   1.983  -1.712
   17   HD12  LEU   3          2HD1      LEU   3  -2.773   1.512  -2.744
   18   HD13  LEU   3          3HD1      LEU   3  -2.893   0.870  -1.104
   19   HD21  LEU   3          3HD2      LEU   3  -4.380   0.824  -4.455
   20   HD22  LEU   3          1HD2      LEU   3  -5.759   1.195  -3.421
   21   HD23  LEU   3          2HD2      LEU   3  -5.563  -0.428  -4.109
   22    H    LYS   4           H        LYS   4  -3.083  -3.235  -5.461
   23    HA   LYS   4           HA       LYS   4  -1.595  -5.461  -4.319
   24    HB2  LYS   4           2HB      LYS   4  -2.239  -4.818  -7.192
   25    HB3  LYS   4           1HB      LYS   4  -1.332  -6.225  -6.662
   26    HG2  LYS   4           2HG      LYS   4  -3.307  -6.945  -5.349
   27    HG3  LYS   4           1HG      LYS   4  -4.203  -5.581  -6.015
   28    HD2  LYS   4           2HD      LYS   4  -4.712  -7.609  -7.262
   29    HD3  LYS   4           1HD      LYS   4  -3.831  -6.470  -8.281
   30    HE2  LYS   4           2HE      LYS   4  -1.777  -7.700  -7.956
   31    HE3  LYS   4           1HE      LYS   4  -2.566  -8.788  -6.815
   32    HZ1  LYS   4           3HZ      LYS   4  -3.909  -9.630  -8.578
   33    HZ2  LYS   4           1HZ      LYS   4  -2.290  -9.726  -9.025
   34    HZ3  LYS   4           2HZ      LYS   4  -3.256  -8.523  -9.690
   35    H    PHE   5           H        PHE   5   0.463  -5.943  -5.869
   36    HA   PHE   5           HA       PHE   5   2.364  -4.105  -4.935
   37    HB2  PHE   5           2HB      PHE   5   2.838  -6.515  -5.364
   38    HB3  PHE   5           1HB      PHE   5   2.712  -6.200  -7.088
   39    HD1  PHE   5           2HD      PHE   5   4.702  -5.483  -4.062
   40    HD2  PHE   5           1HD      PHE   5   4.544  -5.313  -8.312
   41    HE1  PHE   5           2HE      PHE   5   7.094  -4.959  -4.123
   42    HE2  PHE   5           1HE      PHE   5   6.945  -4.785  -8.375
   43    HZ   PHE   5           HZ       PHE   5   8.222  -4.612  -6.270
   44    H    GLY   6           H        GLY   6   3.049  -2.303  -5.704
   45    HA2  GLY   6           2HA      GLY   6   3.759  -0.769  -7.275
   46    HA3  GLY   6           1HA      GLY   6   3.117  -1.809  -8.538
   47    H    TRP   7           H        TRP   7   0.765  -1.372  -6.153
   48    HA   TRP   7           HA       TRP   7  -0.628   0.417  -7.938
   49    HB2  TRP   7           2HB      TRP   7  -1.467  -1.077  -5.470
   50    HB3  TRP   7           1HB      TRP   7  -2.490   0.166  -6.178
   51    HD1  TRP   7           HD       TRP   7  -0.543  -2.318  -8.378
   52    HE1  TRP   7           1HE      TRP   7  -2.245  -3.832  -9.588
   53    HE3  TRP   7           3HE      TRP   7  -4.809  -0.785  -6.045
   54    HZ2  TRP   7           2HZ      TRP   7  -5.005  -4.307  -9.554
   55    HZ3  TRP   7           3HZ      TRP   7  -6.942  -1.819  -6.686
   56    HH2  TRP   7           HH       TRP   7  -7.040  -3.545  -8.406
   57    H    LYS   8           H        LYS   8  -1.283   2.391  -7.507
   58    HA   LYS   8           HA       LYS   8   0.361   4.078  -5.983
   59    HB2  LYS   8           2HB      LYS   8  -0.773   4.877  -7.924
   60    HB3  LYS   8           1HB      LYS   8  -2.340   4.436  -7.264
   61    HG2  LYS   8           2HG      LYS   8  -2.131   6.799  -7.168
   62    HG3  LYS   8           1HG      LYS   8  -1.992   6.179  -5.526
   63    HD2  LYS   8           2HD      LYS   8   0.440   6.375  -5.664
   64    HD3  LYS   8           1HD      LYS   8   0.288   7.008  -7.306
   65    HE2  LYS   8           2HE      LYS   8  -0.820   8.253  -4.798
   66    HE3  LYS   8           1HE      LYS   8   0.572   8.822  -5.717
   67    HZ1  LYS   8           3HZ      LYS   8  -1.319  10.127  -6.295
   68    HZ2  LYS   8           1HZ      LYS   8  -2.256   8.764  -6.620
   69    HZ3  LYS   8           2HZ      LYS   8  -0.958   9.148  -7.616
   70    H    CYS   9           H        CYS   9   0.228   4.720  -3.953
   71    HA   CYS   9           HA       CYS   9  -2.239   4.269  -2.450
   72    HB2  CYS   9           2HB      CYS   9  -0.940   3.286  -0.610
   73    HB3  CYS   9           1HB      CYS   9  -0.837   2.307  -2.072
   74    H    ASN  10           H        ASN  10  -2.242   5.449  -0.425
   75    HA   ASN  10           HA       ASN  10  -0.571   7.833  -0.476
   76    HB2  ASN  10           2HB      ASN  10  -3.135   7.181   1.028
   77    HB3  ASN  10           1HB      ASN  10  -2.219   8.661   1.262
   78   HD21  ASN  10          1HD2      ASN  10  -4.971   8.239   0.283
   79   HD22  ASN  10          2HD2      ASN  10  -5.032   8.964  -1.274
   80    HA   PRO  11           HA       PRO  11   2.051   5.400   2.121
   81    HB2  PRO  11           2HB      PRO  11   3.469   7.594   3.166
   82    HB3  PRO  11           1HB      PRO  11   3.904   6.609   1.771
   83    HG2  PRO  11           2HG      PRO  11   2.562   9.245   1.883
   84    HG3  PRO  11           1HG      PRO  11   3.631   8.583   0.639
   85    HD2  PRO  11           2HD      PRO  11   0.979   8.816   0.297
   86    HD3  PRO  11           1HD      PRO  11   1.899   7.483  -0.430
   87    H    ARG  12           H        ARG  12   0.206   8.023   3.488
   88    HA   ARG  12           HA       ARG  12   0.815   7.406   6.221
   89    HB2  ARG  12           2HB      ARG  12  -1.457   8.925   5.014
   90    HB3  ARG  12           1HB      ARG  12  -1.175   8.769   6.739
   91    HG2  ARG  12           2HG      ARG  12   0.986   9.871   6.465
   92    HG3  ARG  12           1HG      ARG  12   0.667  10.060   4.740
   93    HD2  ARG  12           2HD      ARG  12  -0.956  11.139   7.001
   94    HD3  ARG  12           1HD      ARG  12   0.131  12.083   5.977
   95    HE   ARG  12           HE       ARG  12  -1.754  10.777   4.369
   96   HH11  ARG  12          1HH1      ARG  12  -1.612  13.373   6.740
   97   HH12  ARG  12          2HH1      ARG  12  -2.959  14.219   6.135
   98   HH21  ARG  12          1HH2      ARG  12  -3.654  11.922   3.536
   99   HH22  ARG  12          2HH2      ARG  12  -4.142  13.362   4.285
  100    H    ASN  13           H        ASN  13  -1.589   6.314   3.949
  101    HA   ASN  13           HA       ASN  13  -2.772   4.676   6.080
  102    HB2  ASN  13           2HB      ASN  13  -4.274   6.534   5.439
  103    HB3  ASN  13           1HB      ASN  13  -4.233   5.980   3.773
  104   HD21  ASN  13          1HD2      ASN  13  -6.450   5.717   3.767
  105   HD22  ASN  13          2HD2      ASN  13  -7.248   4.419   4.574
  106    H    ASP  14           H        ASP  14  -1.869   2.795   5.660
  107    HA   ASP  14           HA       ASP  14  -1.299   1.867   3.012
  108    HB2  ASP  14           2HB      ASP  14   0.084   1.220   4.965
  109    HB3  ASP  14           1HB      ASP  14  -1.291   0.319   5.601
  110    H    LYS  15           H        LYS  15  -2.578   0.793   1.713
  111    HA   LYS  15           HA       LYS  15  -4.907  -0.631   2.815
  112    HB2  LYS  15           2HB      LYS  15  -4.785   0.941   0.231
  113    HB3  LYS  15           1HB      LYS  15  -6.180   0.046   0.802
  114    HG2  LYS  15           2HG      LYS  15  -4.979   2.521   2.052
  115    HG3  LYS  15           1HG      LYS  15  -6.480   2.441   1.137
  116    HD2  LYS  15           2HD      LYS  15  -5.932   1.021   3.733
  117    HD3  LYS  15           1HD      LYS  15  -6.823   2.531   3.582
  118    HE2  LYS  15           2HE      LYS  15  -8.549   1.424   2.293
  119    HE3  LYS  15           1HE      LYS  15  -7.632  -0.078   2.284
  120    HZ1  LYS  15           3HZ      LYS  15  -8.670   1.242   4.733
  121    HZ2  LYS  15           1HZ      LYS  15  -7.873  -0.238   4.645
  122    HZ3  LYS  15           2HZ      LYS  15  -9.405  -0.059   3.952
  123    H    CYS  16           H        CYS  16  -2.104  -1.362   1.954
  124    HA   CYS  16           HA       CYS  16  -2.497  -2.654  -0.591
  125    HB2  CYS  16           2HB      CYS  16  -0.064  -2.762   1.204
  126    HB3  CYS  16           1HB      CYS  16  -0.133  -3.142  -0.513
  127    H    CYS  17           H        CYS  17  -2.045  -4.948  -0.890
  128    HA   CYS  17           HA       CYS  17  -3.624  -6.572   0.716
  129    HB2  CYS  17           2HB      CYS  17  -1.487  -7.424  -1.237
  130    HB3  CYS  17           1HB      CYS  17  -2.803  -8.431  -0.648
  131    H    SER  18           H        SER  18  -2.903  -8.712   1.687
  132    HA   SER  18           HA       SER  18  -1.267  -8.200   3.902
  133    HB2  SER  18           2HB      SER  18  -2.300 -10.825   2.835
  134    HB3  SER  18           1HB      SER  18  -1.769 -10.506   4.493
  135    HG   SER  18           HG       SER  18  -4.116  -9.849   3.207
  136    H    GLY  19           H        GLY  19   0.876  -8.234   3.999
  137    HA2  GLY  19           2HA      GLY  19   3.004  -9.220   3.759
  138    HA3  GLY  19           1HA      GLY  19   2.402 -10.129   2.373
  139    H    LEU  20           H        LEU  20   1.338  -6.962   2.325
  140    HA   LEU  20           HA       LEU  20   3.482  -6.089   0.539
  141    HB2  LEU  20           2HB      LEU  20   1.146  -7.058  -0.304
  142    HB3  LEU  20           1HB      LEU  20   0.614  -5.450   0.114
  143    HG   LEU  20           HG       LEU  20   2.354  -4.567  -1.450
  144   HD11  LEU  20          1HD1      LEU  20   3.185  -6.209  -3.112
  145   HD12  LEU  20          2HD1      LEU  20   2.522  -7.503  -2.098
  146   HD13  LEU  20          3HD1      LEU  20   3.816  -6.481  -1.484
  147   HD21  LEU  20          3HD2      LEU  20   0.280  -6.433  -2.554
  148   HD22  LEU  20          1HD2      LEU  20   1.054  -5.103  -3.410
  149   HD23  LEU  20          2HD2      LEU  20   0.002  -4.768  -2.033
  150    H    LYS  21           H        LYS  21   3.690  -3.713   0.667
  151    HA   LYS  21           HA       LYS  21   1.921  -2.359   2.511
  152    HB2  LYS  21           2HB      LYS  21   3.813  -3.407   3.854
  153    HB3  LYS  21           1HB      LYS  21   4.866  -2.248   3.048
  154    HG2  LYS  21           2HG      LYS  21   3.375  -0.431   3.835
  155    HG3  LYS  21           1HG      LYS  21   2.513  -1.622   4.796
  156    HD2  LYS  21           2HD      LYS  21   4.610  -2.108   5.991
  157    HD3  LYS  21           1HD      LYS  21   5.404  -0.829   5.058
  158    HE2  LYS  21           2HE      LYS  21   3.089  -0.540   6.960
  159    HE3  LYS  21           1HE      LYS  21   4.715   0.115   7.151
  160    HZ1  LYS  21           3HZ      LYS  21   2.745   0.931   5.064
  161    HZ2  LYS  21           1HZ      LYS  21   4.319   1.532   5.203
  162    HZ3  LYS  21           2HZ      LYS  21   3.196   1.830   6.412
  163    H    CYS  22           H        CYS  22   1.810  -0.274   2.189
  164    HA   CYS  22           HA       CYS  22   2.854   0.954  -0.168
  165    HB2  CYS  22           2HB      CYS  22   0.648   1.524   0.781
  166    HB3  CYS  22           1HB      CYS  22   1.432   2.128   2.235
  167    H    GLY  23           H        GLY  23   4.740   1.910  -0.373
  168    HA2  GLY  23           2HA      GLY  23   6.537   1.964   1.827
  169    HA3  GLY  23           1HA      GLY  23   6.913   2.507   0.206
  170    H    SER  24           H        SER  24   7.538   3.651   2.782
  171    HA   SER  24           HA       SER  24   5.960   5.976   3.199
  172    HB2  SER  24           2HB      SER  24   7.982   6.495   4.687
  173    HB3  SER  24           1HB      SER  24   7.046   5.044   5.067
  174    HG   SER  24           HG       SER  24   9.185   4.508   5.066
  175    H    ASN  25           H        ASN  25   8.979   5.213   1.627
  176    HA   ASN  25           HA       ASN  25   9.294   7.973   0.683
  177    HB2  ASN  25           2HB      ASN  25  11.241   5.652   0.648
  178    HB3  ASN  25           1HB      ASN  25  11.565   7.228  -0.051
  179   HD21  ASN  25          1HD2      ASN  25  10.262   8.709   2.138
  180   HD22  ASN  25          2HD2      ASN  25  11.311   8.564   3.490
  181    H    HIS  26           H        HIS  26   7.717   5.426  -0.196
  182    HA   HIS  26           HA       HIS  26   8.253   5.751  -3.054
  183    HB2  HIS  26           2HB      HIS  26   7.061   3.308  -1.644
  184    HB3  HIS  26           1HB      HIS  26   7.236   3.513  -3.369
  185    HD1  HIS  26           1HD      HIS  26   9.268   2.650  -0.284
  186    HD2  HIS  26           2HD      HIS  26   9.719   3.220  -4.367
  187    HE1  HIS  26           1HE      HIS  26  11.527   1.766  -0.839
  188    H    ASN  27           H        ASN  27   6.036   5.139  -4.225
  189    HA   ASN  27           HA       ASN  27   3.888   6.483  -2.729
  190    HB2  ASN  27           2HB      ASN  27   5.167   7.968  -4.407
  191    HB3  ASN  27           1HB      ASN  27   4.460   6.959  -5.656
  192   HD21  ASN  27          1HD2      ASN  27   2.805   7.972  -2.720
  193   HD22  ASN  27          2HD2      ASN  27   1.667   8.992  -3.513
  194    H    TRP  28           H        TRP  28   4.619   3.736  -3.408
  195    HA   TRP  28           HA       TRP  28   2.065   2.902  -4.381
  196    HB2  TRP  28           2HB      TRP  28   3.001   1.301  -6.074
  197    HB3  TRP  28           1HB      TRP  28   3.233   2.976  -6.471
  198    HD1  TRP  28           HD       TRP  28   5.551   0.718  -4.303
  199    HE1  TRP  28           1HE      TRP  28   7.894   0.734  -5.417
  200    HE3  TRP  28           3HE      TRP  28   4.491   3.496  -8.387
  201    HZ2  TRP  28           2HZ      TRP  28   9.075   1.725  -7.628
  202    HZ3  TRP  28           3HZ      TRP  28   6.311   3.963 -10.019
  203    HH2  TRP  28           HH       TRP  28   8.567   3.093  -9.650
  204    H    CYS  29           H        CYS  29   1.850   0.565  -4.196
  205    HA   CYS  29           HA       CYS  29   2.726  -0.386  -1.633
  206    HB2  CYS  29           2HB      CYS  29   1.146  -1.644  -3.838
  207    HB3  CYS  29           1HB      CYS  29   1.380  -2.443  -2.311
  208    H    LYS  30           H        LYS  30   4.585  -1.382  -1.251
  209    HA   LYS  30           HA       LYS  30   5.718  -3.109  -3.335
  210    HB2  LYS  30           2HB      LYS  30   7.191  -1.680  -1.103
  211    HB3  LYS  30           1HB      LYS  30   7.913  -2.770  -2.273
  212    HG2  LYS  30           2HG      LYS  30   7.207  -1.127  -4.072
  213    HG3  LYS  30           1HG      LYS  30   6.767  -0.037  -2.761
  214    HD2  LYS  30           2HD      LYS  30   8.942   0.537  -3.485
  215    HD3  LYS  30           1HD      LYS  30   9.099  -0.255  -1.918
  216    HE2  LYS  30           2HE      LYS  30   9.742  -2.346  -3.019
  217    HE3  LYS  30           1HE      LYS  30   9.491  -1.581  -4.591
  218    HZ1  LYS  30           3HZ      LYS  30  11.578  -0.809  -2.607
  219    HZ2  LYS  30           1HZ      LYS  30  11.269  -0.032  -4.069
  220    HZ3  LYS  30           2HZ      LYS  30  11.809  -1.587  -4.079
  221    H    LEU  31           H        LEU  31   7.515  -4.420  -1.570
  222    HA   LEU  31           HA       LEU  31   5.664  -6.293  -0.436
  223    HB2  LEU  31           2HB      LEU  31   8.667  -6.191  -0.328
  224    HB3  LEU  31           1HB      LEU  31   7.673  -7.566   0.111
  225    HG   LEU  31           HG       LEU  31   7.917  -6.386  -2.655
  226   HD11  LEU  31          1HD1      LEU  31   9.002  -8.932  -1.498
  227   HD12  LEU  31          2HD1      LEU  31   9.938  -7.508  -1.965
  228   HD13  LEU  31          3HD1      LEU  31   9.080  -8.444  -3.189
  229   HD21  LEU  31          3HD2      LEU  31   6.448  -8.842  -1.692
  230   HD22  LEU  31          1HD2      LEU  31   6.673  -8.365  -3.375
  231   HD23  LEU  31          2HD2      LEU  31   5.716  -7.354  -2.300
  232    H    HIS  32           H        HIS  32   5.357  -6.785   1.711
  233    HA   HIS  32           HA       HIS  32   5.886  -4.679   3.608
  234    HB2  HIS  32           2HB      HIS  32   3.761  -6.016   3.600
  235    HB3  HIS  32           1HB      HIS  32   4.697  -7.434   4.036
  236    HD1  HIS  32           1HD      HIS  32   5.164  -7.771   6.561
  237    HD2  HIS  32           2HD      HIS  32   3.486  -4.072   5.657
  238    HE1  HIS  32           1HE      HIS  32   4.511  -6.737   8.744
  239    H    LEU  33           H        LEU  33   7.870  -4.531   4.306
  240    HA   LEU  33           HA       LEU  33   9.533  -6.881   4.596
  241    HB2  LEU  33           2HB      LEU  33  10.202  -3.966   5.048
  242    HB3  LEU  33           1HB      LEU  33  11.342  -5.290   4.998
  243    HG   LEU  33           HG       LEU  33   9.726  -4.242   2.676
  244   HD11  LEU  33          1HD1      LEU  33  11.902  -3.590   1.779
  245   HD12  LEU  33          2HD1      LEU  33  12.669  -4.121   3.276
  246   HD13  LEU  33          3HD1      LEU  33  11.532  -2.773   3.295
  247   HD21  LEU  33          3HD2      LEU  33  11.004  -5.801   1.297
  248   HD22  LEU  33          1HD2      LEU  33  10.030  -6.662   2.485
  249   HD23  LEU  33          2HD2      LEU  33  11.767  -6.469   2.739
  Start of MODEL   12
    1    H1   ASP   1           1HT      ASP   1 -11.254  -2.931  -1.527
    2    H2   ASP   1           2HT      ASP   1 -12.094  -3.908  -2.612
    3    H3   ASP   1           3HT      ASP   1 -10.864  -2.865  -3.162
    4    HA   ASP   1           HA       ASP   1 -10.453  -5.086  -1.283
    5    HB2  ASP   1           2HB      ASP   1  -9.718  -4.881  -4.229
    6    HB3  ASP   1           1HB      ASP   1  -9.141  -6.135  -3.146
    7    H    CYS   2           H        CYS   2  -7.908  -5.597  -1.653
    8    HA   CYS   2           HA       CYS   2  -6.657  -3.213  -0.664
    9    HB2  CYS   2           2HB      CYS   2  -4.752  -4.746  -0.258
   10    HB3  CYS   2           1HB      CYS   2  -6.251  -5.244   0.518
   11    H    LEU   3           H        LEU   3  -4.670  -2.439  -1.442
   12    HA   LEU   3           HA       LEU   3  -4.534  -2.291  -4.303
   13    HB2  LEU   3           2HB      LEU   3  -2.627  -1.218  -2.223
   14    HB3  LEU   3           1HB      LEU   3  -2.704  -0.773  -3.907
   15    HG   LEU   3           HG       LEU   3  -4.919  -0.248  -1.947
   16   HD11  LEU   3          1HD1      LEU   3  -4.132   2.058  -1.998
   17   HD12  LEU   3          2HD1      LEU   3  -2.761   1.559  -2.995
   18   HD13  LEU   3          3HD1      LEU   3  -2.911   0.967  -1.338
   19   HD21  LEU   3          3HD2      LEU   3  -4.372   0.732  -4.738
   20   HD22  LEU   3          1HD2      LEU   3  -5.687   1.278  -3.696
   21   HD23  LEU   3          2HD2      LEU   3  -5.639  -0.398  -4.256
   22    H    LYS   4           H        LYS   4  -3.108  -3.264  -5.571
   23    HA   LYS   4           HA       LYS   4  -1.640  -5.490  -4.420
   24    HB2  LYS   4           2HB      LYS   4  -2.350  -4.815  -7.257
   25    HB3  LYS   4           1HB      LYS   4  -1.300  -6.152  -6.836
   26    HG2  LYS   4           2HG      LYS   4  -3.161  -7.087  -5.469
   27    HG3  LYS   4           1HG      LYS   4  -4.188  -5.795  -6.100
   28    HD2  LYS   4           2HD      LYS   4  -3.902  -6.567  -8.341
   29    HD3  LYS   4           1HD      LYS   4  -2.676  -7.728  -7.837
   30    HE2  LYS   4           2HE      LYS   4  -4.402  -8.874  -6.474
   31    HE3  LYS   4           1HE      LYS   4  -5.604  -7.764  -7.128
   32    HZ1  LYS   4           3HZ      LYS   4  -5.163  -8.592  -9.325
   33    HZ2  LYS   4           1HZ      LYS   4  -5.541  -9.881  -8.316
   34    HZ3  LYS   4           2HZ      LYS   4  -3.940  -9.607  -8.752
   35    H    PHE   5           H        PHE   5   0.377  -6.027  -5.954
   36    HA   PHE   5           HA       PHE   5   2.370  -4.272  -5.061
   37    HB2  PHE   5           2HB      PHE   5   2.698  -6.698  -5.351
   38    HB3  PHE   5           1HB      PHE   5   2.517  -6.509  -7.088
   39    HD1  PHE   5           1HD      PHE   5   4.541  -5.027  -4.336
   40    HD2  PHE   5           2HD      PHE   5   4.455  -6.543  -8.302
   41    HE1  PHE   5           1HE      PHE   5   6.968  -4.705  -4.505
   42    HE2  PHE   5           2HE      PHE   5   6.886  -6.215  -8.484
   43    HZ   PHE   5           HZ       PHE   5   8.145  -5.293  -6.573
   44    H    GLY   6           H        GLY   6   2.944  -2.456  -5.867
   45    HA2  GLY   6           2HA      GLY   6   3.778  -1.060  -7.550
   46    HA3  GLY   6           1HA      GLY   6   3.003  -2.082  -8.754
   47    H    TRP   7           H        TRP   7   0.749  -1.565  -6.354
   48    HA   TRP   7           HA       TRP   7  -0.545   0.359  -8.072
   49    HB2  TRP   7           2HB      TRP   7  -1.471  -1.132  -5.626
   50    HB3  TRP   7           1HB      TRP   7  -2.434   0.154  -6.344
   51    HD1  TRP   7           HD       TRP   7  -0.556  -2.387  -8.521
   52    HE1  TRP   7           1HE      TRP   7  -2.267  -3.846  -9.753
   53    HE3  TRP   7           3HE      TRP   7  -4.813  -0.720  -6.254
   54    HZ2  TRP   7           2HZ      TRP   7  -5.064  -4.243  -9.763
   55    HZ3  TRP   7           3HZ      TRP   7  -6.966  -1.692  -6.926
   56    HH2  TRP   7           HH       TRP   7  -7.090  -3.417  -8.646
   57    H    LYS   8           H        LYS   8  -1.197   2.398  -7.462
   58    HA   LYS   8           HA       LYS   8   0.636   3.738  -5.758
   59    HB2  LYS   8           2HB      LYS   8  -1.902   4.759  -7.038
   60    HB3  LYS   8           1HB      LYS   8  -0.698   5.758  -6.241
   61    HG2  LYS   8           2HG      LYS   8  -0.322   4.145  -8.754
   62    HG3  LYS   8           1HG      LYS   8  -0.452   5.901  -8.640
   63    HD2  LYS   8           2HD      LYS   8   1.612   5.894  -7.251
   64    HD3  LYS   8           1HD      LYS   8   1.744   4.159  -7.531
   65    HE2  LYS   8           2HE      LYS   8   1.800   4.598  -9.965
   66    HE3  LYS   8           1HE      LYS   8   1.811   6.325  -9.619
   67    HZ1  LYS   8           3HZ      LYS   8   3.858   4.362  -8.785
   68    HZ2  LYS   8           1HZ      LYS   8   3.881   6.005  -8.395
   69    HZ3  LYS   8           2HZ      LYS   8   4.043   5.496 -10.001
   70    H    CYS   9           H        CYS   9   0.488   4.154  -3.734
   71    HA   CYS   9           HA       CYS   9  -2.049   3.672  -2.351
   72    HB2  CYS   9           2HB      CYS   9  -0.700   2.914  -0.443
   73    HB3  CYS   9           1HB      CYS   9  -0.373   1.932  -1.868
   74    H    ASN  10           H        ASN  10  -2.036   4.843  -0.248
   75    HA   ASN  10           HA       ASN  10  -0.822   7.474  -0.559
   76    HB2  ASN  10           2HB      ASN  10  -3.305   6.592   0.944
   77    HB3  ASN  10           1HB      ASN  10  -2.575   8.173   1.170
   78   HD21  ASN  10          1HD2      ASN  10  -5.226   7.462   0.179
   79   HD22  ASN  10          2HD2      ASN  10  -5.345   8.163  -1.393
   80    HA   PRO  11           HA       PRO  11   1.925   5.672   2.475
   81    HB2  PRO  11           2HB      PRO  11   3.269   8.012   3.051
   82    HB3  PRO  11           1HB      PRO  11   3.646   6.930   1.708
   83    HG2  PRO  11           2HG      PRO  11   2.009   9.428   1.727
   84    HG3  PRO  11           1HG      PRO  11   3.198   8.887   0.527
   85    HD2  PRO  11           2HD      PRO  11   0.610   8.671   0.064
   86    HD3  PRO  11           1HD      PRO  11   1.716   7.375  -0.431
   87    H    ARG  12           H        ARG  12  -0.328   8.136   3.122
   88    HA   ARG  12           HA       ARG  12   0.151   8.469   5.915
   89    HB2  ARG  12           2HB      ARG  12  -2.328   8.900   4.251
   90    HB3  ARG  12           1HB      ARG  12  -2.252   9.256   5.964
   91    HG2  ARG  12           2HG      ARG  12  -0.511  10.531   3.862
   92    HG3  ARG  12           1HG      ARG  12  -1.979  11.243   4.534
   93    HD2  ARG  12           2HD      ARG  12  -0.924  11.122   6.786
   94    HD3  ARG  12           1HD      ARG  12   0.565  10.574   6.013
   95    HE   ARG  12           HE       ARG  12  -0.126  12.867   4.720
   96   HH11  ARG  12          1HH1      ARG  12   0.667  12.025   8.076
   97   HH12  ARG  12          2HH1      ARG  12   1.207  13.592   8.467
   98   HH21  ARG  12          1HH2      ARG  12   0.604  15.006   5.291
   99   HH22  ARG  12          2HH2      ARG  12   1.200  15.293   6.869
  100    H    ASN  13           H        ASN  13  -1.912   6.274   4.010
  101    HA   ASN  13           HA       ASN  13  -2.110   4.580   6.293
  102    HB2  ASN  13           2HB      ASN  13  -4.607   4.304   5.943
  103    HB3  ASN  13           1HB      ASN  13  -4.051   5.796   6.690
  104   HD21  ASN  13          1HD2      ASN  13  -5.930   6.860   6.199
  105   HD22  ASN  13          2HD2      ASN  13  -6.355   7.361   4.602
  106    H    ASP  14           H        ASP  14  -1.700   2.652   5.793
  107    HA   ASP  14           HA       ASP  14  -1.193   1.854   3.109
  108    HB2  ASP  14           2HB      ASP  14   0.085   1.109   5.127
  109    HB3  ASP  14           1HB      ASP  14  -1.306   0.145   5.589
  110    H    LYS  15           H        LYS  15  -2.659   1.173   1.748
  111    HA   LYS  15           HA       LYS  15  -4.956  -0.394   2.733
  112    HB2  LYS  15           2HB      LYS  15  -4.780   1.415   0.307
  113    HB3  LYS  15           1HB      LYS  15  -6.163   0.422   0.708
  114    HG2  LYS  15           2HG      LYS  15  -5.108   2.647   2.458
  115    HG3  LYS  15           1HG      LYS  15  -6.425   2.833   1.307
  116    HD2  LYS  15           2HD      LYS  15  -6.418   0.924   3.648
  117    HD3  LYS  15           1HD      LYS  15  -7.196   2.503   3.630
  118    HE2  LYS  15           2HE      LYS  15  -7.877   0.188   1.800
  119    HE3  LYS  15           1HE      LYS  15  -8.792   0.690   3.212
  120    HZ1  LYS  15           3HZ      LYS  15  -8.380   2.343   0.767
  121    HZ2  LYS  15           1HZ      LYS  15  -9.236   2.803   2.149
  122    HZ3  LYS  15           2HZ      LYS  15  -9.781   1.517   1.223
  123    H    CYS  16           H        CYS  16  -2.167  -1.100   1.848
  124    HA   CYS  16           HA       CYS  16  -2.493  -2.431  -0.694
  125    HB2  CYS  16           2HB      CYS  16  -0.209  -2.575   1.289
  126    HB3  CYS  16           1HB      CYS  16  -0.161  -3.080  -0.392
  127    H    CYS  17           H        CYS  17  -2.071  -4.751  -0.870
  128    HA   CYS  17           HA       CYS  17  -3.689  -6.276   0.828
  129    HB2  CYS  17           2HB      CYS  17  -1.604  -7.171  -1.159
  130    HB3  CYS  17           1HB      CYS  17  -2.819  -8.217  -0.436
  131    H    SER  18           H        SER  18  -2.984  -8.299   1.952
  132    HA   SER  18           HA       SER  18  -1.149  -7.742   3.989
  133    HB2  SER  18           2HB      SER  18  -2.407 -10.359   3.134
  134    HB3  SER  18           1HB      SER  18  -1.675 -10.032   4.706
  135    HG   SER  18           HG       SER  18  -4.179  -9.645   4.092
  136    H    GLY  19           H        GLY  19   1.005  -8.221   4.157
  137    HA2  GLY  19           2HA      GLY  19   3.021  -9.323   3.705
  138    HA3  GLY  19           1HA      GLY  19   2.256 -10.137   2.343
  139    H    LEU  20           H        LEU  20   1.379  -7.013   2.215
  140    HA   LEU  20           HA       LEU  20   3.546  -6.202   0.423
  141    HB2  LEU  20           2HB      LEU  20   1.144  -6.978  -0.396
  142    HB3  LEU  20           1HB      LEU  20   0.682  -5.394   0.177
  143    HG   LEU  20           HG       LEU  20   2.378  -4.432  -1.394
  144   HD11  LEU  20          1HD1      LEU  20   3.728  -6.435  -1.610
  145   HD12  LEU  20          2HD1      LEU  20   3.132  -5.916  -3.197
  146   HD13  LEU  20          3HD1      LEU  20   2.379  -7.278  -2.356
  147   HD21  LEU  20          3HD2      LEU  20   0.199  -6.137  -2.552
  148   HD22  LEU  20          1HD2      LEU  20   0.978  -4.766  -3.331
  149   HD23  LEU  20          2HD2      LEU  20  -0.007  -4.517  -1.888
  150    H    LYS  21           H        LYS  21   3.829  -3.810   0.559
  151    HA   LYS  21           HA       LYS  21   2.337  -2.503   2.672
  152    HB2  LYS  21           2HB      LYS  21   4.198  -3.567   3.850
  153    HB3  LYS  21           1HB      LYS  21   5.335  -2.756   2.768
  154    HG2  LYS  21           2HG      LYS  21   4.553  -0.594   3.612
  155    HG3  LYS  21           1HG      LYS  21   3.471  -1.434   4.718
  156    HD2  LYS  21           2HD      LYS  21   5.357  -2.442   5.841
  157    HD3  LYS  21           1HD      LYS  21   6.477  -1.689   4.697
  158    HE2  LYS  21           2HE      LYS  21   4.664  -0.294   6.668
  159    HE3  LYS  21           1HE      LYS  21   6.420  -0.418   6.738
  160    HZ1  LYS  21           3HZ      LYS  21   5.792   1.721   5.892
  161    HZ2  LYS  21           1HZ      LYS  21   4.857   1.044   4.666
  162    HZ3  LYS  21           2HZ      LYS  21   6.518   0.854   4.646
  163    H    CYS  22           H        CYS  22   2.217  -0.425   2.464
  164    HA   CYS  22           HA       CYS  22   3.087   0.883   0.037
  165    HB2  CYS  22           2HB      CYS  22   0.865   1.343   1.000
  166    HB3  CYS  22           1HB      CYS  22   1.614   1.912   2.483
  167    H    GLY  23           H        GLY  23   4.851   2.183  -0.129
  168    HA2  GLY  23           2HA      GLY  23   6.608   2.337   2.146
  169    HA3  GLY  23           1HA      GLY  23   6.990   3.007   0.581
  170    H    SER  24           H        SER  24   7.056   3.985   3.363
  171    HA   SER  24           HA       SER  24   5.041   5.970   3.655
  172    HB2  SER  24           2HB      SER  24   6.596   6.784   5.493
  173    HB3  SER  24           1HB      SER  24   6.003   5.130   5.636
  174    HG   SER  24           HG       SER  24   7.974   4.548   5.681
  175    H    ASN  25           H        ASN  25   8.267   5.937   2.383
  176    HA   ASN  25           HA       ASN  25   8.097   8.798   1.738
  177    HB2  ASN  25           2HB      ASN  25  10.460   6.898   1.615
  178    HB3  ASN  25           1HB      ASN  25  10.518   8.584   1.121
  179   HD21  ASN  25          1HD2      ASN  25  11.992   7.166   3.201
  180   HD22  ASN  25          2HD2      ASN  25  11.663   7.999   4.674
  181    H    HIS  26           H        HIS  26   6.885   6.274   0.487
  182    HA   HIS  26           HA       HIS  26   7.575   6.952  -2.269
  183    HB2  HIS  26           2HB      HIS  26   7.024   4.177  -1.142
  184    HB3  HIS  26           1HB      HIS  26   7.123   4.544  -2.853
  185    HD1  HIS  26           1HD      HIS  26   9.227   3.746   0.109
  186    HD2  HIS  26           2HD      HIS  26   9.644   5.291  -3.701
  187    HE1  HIS  26           1HE      HIS  26  11.670   3.615  -0.391
  188    H    ASN  27           H        ASN  27   5.624   5.639  -3.569
  189    HA   ASN  27           HA       ASN  27   3.100   6.297  -2.232
  190    HB2  ASN  27           2HB      ASN  27   4.040   7.397  -4.865
  191    HB3  ASN  27           1HB      ASN  27   2.325   7.229  -4.511
  192   HD21  ASN  27          1HD2      ASN  27   1.399   8.543  -2.970
  193   HD22  ASN  27          2HD2      ASN  27   2.206   9.941  -2.361
  194    H    TRP  28           H        TRP  28   4.511   3.844  -2.944
  195    HA   TRP  28           HA       TRP  28   2.352   2.668  -4.441
  196    HB2  TRP  28           2HB      TRP  28   3.975   1.263  -5.771
  197    HB3  TRP  28           1HB      TRP  28   3.835   2.944  -6.237
  198    HD1  TRP  28           HD       TRP  28   6.063   1.864  -3.297
  199    HE1  TRP  28           1HE      TRP  28   8.527   2.241  -3.918
  200    HE3  TRP  28           3HE      TRP  28   5.506   3.194  -8.202
  201    HZ2  TRP  28           2HZ      TRP  28  10.009   2.967  -6.086
  202    HZ3  TRP  28           3HZ      TRP  28   7.532   3.728  -9.495
  203    HH2  TRP  28           HH       TRP  28   9.745   3.626  -8.468
  204    H    CYS  29           H        CYS  29   2.072   0.539  -4.209
  205    HA   CYS  29           HA       CYS  29   2.786  -0.561  -1.637
  206    HB2  CYS  29           2HB      CYS  29   1.134  -1.567  -3.930
  207    HB3  CYS  29           1HB      CYS  29   1.299  -2.489  -2.467
  208    H    LYS  30           H        LYS  30   4.688  -1.543  -1.396
  209    HA   LYS  30           HA       LYS  30   5.750  -3.160  -3.612
  210    HB2  LYS  30           2HB      LYS  30   7.233  -1.836  -1.325
  211    HB3  LYS  30           1HB      LYS  30   7.983  -2.836  -2.554
  212    HG2  LYS  30           2HG      LYS  30   6.571  -0.218  -3.076
  213    HG3  LYS  30           1HG      LYS  30   8.312  -0.406  -2.941
  214    HD2  LYS  30           2HD      LYS  30   6.618  -1.826  -5.004
  215    HD3  LYS  30           1HD      LYS  30   7.438  -0.293  -5.282
  216    HE2  LYS  30           2HE      LYS  30   9.577  -1.327  -4.840
  217    HE3  LYS  30           1HE      LYS  30   8.793  -2.874  -4.500
  218    HZ1  LYS  30           3HZ      LYS  30   9.645  -2.877  -6.732
  219    HZ2  LYS  30           1HZ      LYS  30   8.860  -1.430  -7.085
  220    HZ3  LYS  30           2HZ      LYS  30   7.958  -2.807  -6.822
  221    H    LEU  31           H        LEU  31   7.332  -4.925  -2.495
  222    HA   LEU  31           HA       LEU  31   5.553  -6.621  -1.020
  223    HB2  LEU  31           2HB      LEU  31   8.518  -6.926  -1.527
  224    HB3  LEU  31           1HB      LEU  31   7.447  -8.173  -0.938
  225    HG   LEU  31           HG       LEU  31   7.329  -6.929  -3.689
  226   HD11  LEU  31          1HD1      LEU  31   8.295  -9.636  -2.788
  227   HD12  LEU  31          2HD1      LEU  31   9.299  -8.317  -3.393
  228   HD13  LEU  31          3HD1      LEU  31   8.135  -9.102  -4.461
  229   HD21  LEU  31          3HD2      LEU  31   5.126  -7.661  -2.927
  230   HD22  LEU  31          1HD2      LEU  31   5.791  -9.240  -2.506
  231   HD23  LEU  31          2HD2      LEU  31   5.739  -8.725  -4.190
  232    H    HIS  32           H        HIS  32   5.480  -6.990   1.156
  233    HA   HIS  32           HA       HIS  32   6.882  -5.123   2.805
  234    HB2  HIS  32           2HB      HIS  32   4.599  -5.859   3.420
  235    HB3  HIS  32           1HB      HIS  32   5.193  -7.505   3.619
  236    HD1  HIS  32           1HD      HIS  32   5.352  -8.015   6.087
  237    HD2  HIS  32           2HD      HIS  32   6.420  -4.102   5.207
  238    HE1  HIS  32           1HE      HIS  32   5.963  -6.953   8.280
  239    H    LEU  33           H        LEU  33   8.927  -5.398   2.808
  240    HA   LEU  33           HA       LEU  33  10.054  -8.024   3.426
  241    HB2  LEU  33           2HB      LEU  33  11.397  -5.562   2.290
  242    HB3  LEU  33           1HB      LEU  33  12.148  -7.121   2.536
  243    HG   LEU  33           HG       LEU  33   9.949  -6.526   0.551
  244   HD11  LEU  33          1HD1      LEU  33  12.888  -7.033   0.135
  245   HD12  LEU  33          2HD1      LEU  33  12.052  -5.494  -0.076
  246   HD13  LEU  33          3HD1      LEU  33  11.681  -6.852  -1.138
  247   HD21  LEU  33          3HD2      LEU  33  10.430  -8.778  -0.316
  248   HD22  LEU  33          1HD2      LEU  33   9.830  -8.822   1.341
  249   HD23  LEU  33          2HD2      LEU  33  11.551  -9.044   1.022
  Start of MODEL   13
    1    H1   ASP   1           1HT      ASP   1 -10.898  -2.259  -1.170
    2    H2   ASP   1           2HT      ASP   1 -10.953  -3.297   0.158
    3    H3   ASP   1           3HT      ASP   1 -11.996  -3.532  -1.174
    4    HA   ASP   1           HA       ASP   1 -10.163  -5.095  -1.146
    5    HB2  ASP   1           2HB      ASP   1 -10.361  -3.117  -3.421
    6    HB3  ASP   1           1HB      ASP   1  -9.467  -4.629  -3.527
    7    H    CYS   2           H        CYS   2  -7.930  -5.441  -1.405
    8    HA   CYS   2           HA       CYS   2  -6.430  -3.251  -0.311
    9    HB2  CYS   2           2HB      CYS   2  -4.620  -4.913  -0.050
   10    HB3  CYS   2           1HB      CYS   2  -6.098  -5.379   0.771
   11    H    LEU   3           H        LEU   3  -4.605  -2.458  -1.200
   12    HA   LEU   3           HA       LEU   3  -4.661  -2.209  -4.037
   13    HB2  LEU   3           2HB      LEU   3  -2.579  -1.241  -2.079
   14    HB3  LEU   3           1HB      LEU   3  -2.819  -0.679  -3.717
   15    HG   LEU   3           HG       LEU   3  -4.788  -0.329  -1.478
   16   HD11  LEU   3          1HD1      LEU   3  -2.773   0.987  -1.114
   17   HD12  LEU   3          2HD1      LEU   3  -4.120   2.038  -1.560
   18   HD13  LEU   3          3HD1      LEU   3  -2.884   1.628  -2.753
   19   HD21  LEU   3          3HD2      LEU   3  -5.774  -0.440  -3.734
   20   HD22  LEU   3          1HD2      LEU   3  -4.726   0.882  -4.231
   21   HD23  LEU   3          2HD2      LEU   3  -5.965   1.157  -2.998
   22    H    LYS   4           H        LYS   4  -3.332  -3.120  -5.434
   23    HA   LYS   4           HA       LYS   4  -2.009  -5.543  -4.504
   24    HB2  LYS   4           2HB      LYS   4  -2.673  -4.633  -7.304
   25    HB3  LYS   4           1HB      LYS   4  -1.992  -6.195  -6.885
   26    HG2  LYS   4           2HG      LYS   4  -4.009  -6.727  -5.602
   27    HG3  LYS   4           1HG      LYS   4  -4.687  -5.156  -6.035
   28    HD2  LYS   4           2HD      LYS   4  -4.562  -5.774  -8.410
   29    HD3  LYS   4           1HD      LYS   4  -3.932  -7.359  -7.960
   30    HE2  LYS   4           2HE      LYS   4  -6.001  -7.801  -6.703
   31    HE3  LYS   4           1HE      LYS   4  -6.615  -6.222  -7.192
   32    HZ1  LYS   4           3HZ      LYS   4  -5.965  -8.470  -9.018
   33    HZ2  LYS   4           1HZ      LYS   4  -6.547  -6.966  -9.507
   34    HZ3  LYS   4           2HZ      LYS   4  -7.493  -7.992  -8.565
   35    H    PHE   5           H        PHE   5  -0.120  -6.112  -6.261
   36    HA   PHE   5           HA       PHE   5   2.057  -4.595  -5.316
   37    HB2  PHE   5           2HB      PHE   5   2.217  -6.994  -5.886
   38    HB3  PHE   5           1HB      PHE   5   1.986  -6.601  -7.585
   39    HD1  PHE   5           1HD      PHE   5   4.247  -6.215  -4.710
   40    HD2  PHE   5           2HD      PHE   5   3.829  -5.926  -8.926
   41    HE1  PHE   5           1HE      PHE   5   6.683  -5.963  -4.927
   42    HE2  PHE   5           2HE      PHE   5   6.268  -5.676  -9.155
   43    HZ   PHE   5           HZ       PHE   5   7.696  -5.698  -7.144
   44    H    GLY   6           H        GLY   6   2.632  -2.693  -5.941
   45    HA2  GLY   6           2HA      GLY   6   3.541  -1.200  -7.498
   46    HA3  GLY   6           1HA      GLY   6   2.787  -2.126  -8.788
   47    H    TRP   7           H        TRP   7   0.640  -1.494  -6.227
   48    HA   TRP   7           HA       TRP   7  -0.648   0.502  -7.867
   49    HB2  TRP   7           2HB      TRP   7  -1.522  -0.979  -5.394
   50    HB3  TRP   7           1HB      TRP   7  -2.436   0.390  -6.022
   51    HD1  TRP   7           HD       TRP   7  -0.878  -2.205  -8.392
   52    HE1  TRP   7           1HE      TRP   7  -2.764  -3.490  -9.562
   53    HE3  TRP   7           3HE      TRP   7  -4.868  -0.359  -5.795
   54    HZ2  TRP   7           2HZ      TRP   7  -5.569  -3.709  -9.406
   55    HZ3  TRP   7           3HZ      TRP   7  -7.119  -1.164  -6.362
   56    HH2  TRP   7           HH       TRP   7  -7.461  -2.806  -8.132
   57    H    LYS   8           H        LYS   8  -1.026   2.539  -7.328
   58    HA   LYS   8           HA       LYS   8   0.909   3.812  -5.658
   59    HB2  LYS   8           2HB      LYS   8  -1.466   4.946  -7.144
   60    HB3  LYS   8           1HB      LYS   8  -0.153   5.882  -6.449
   61    HG2  LYS   8           2HG      LYS   8   0.195   3.833  -8.623
   62    HG3  LYS   8           1HG      LYS   8   0.011   5.561  -8.907
   63    HD2  LYS   8           2HD      LYS   8   2.059   5.999  -7.675
   64    HD3  LYS   8           1HD      LYS   8   2.212   4.288  -7.273
   65    HE2  LYS   8           2HE      LYS   8   3.690   4.909  -9.132
   66    HE3  LYS   8           1HE      LYS   8   2.471   3.739  -9.633
   67    HZ1  LYS   8           3HZ      LYS   8   2.455   6.671 -10.223
   68    HZ2  LYS   8           1HZ      LYS   8   1.197   5.609 -10.601
   69    HZ3  LYS   8           2HZ      LYS   8   2.675   5.403 -11.300
   70    H    CYS   9           H        CYS   9   0.661   4.471  -3.654
   71    HA   CYS   9           HA       CYS   9  -2.000   4.408  -2.430
   72    HB2  CYS   9           2HB      CYS   9  -0.771   3.460  -0.427
   73    HB3  CYS   9           1HB      CYS   9  -0.960   2.374  -1.806
   74    H    ASN  10           H        ASN  10  -1.711   5.408  -0.099
   75    HA   ASN  10           HA       ASN  10  -0.068   7.819  -0.372
   76    HB2  ASN  10           2HB      ASN  10  -2.791   7.521   0.919
   77    HB3  ASN  10           1HB      ASN  10  -1.821   8.985   0.953
   78   HD21  ASN  10          1HD2      ASN  10  -4.447   8.473  -0.122
   79   HD22  ASN  10          2HD2      ASN  10  -4.399   8.942  -1.791
   80    HA   PRO  11           HA       PRO  11   1.937   6.493   3.304
   81    HB2  PRO  11           2HB      PRO  11   2.688   8.871   4.401
   82    HB3  PRO  11           1HB      PRO  11   3.465   8.177   2.974
   83    HG2  PRO  11           2HG      PRO  11   1.344  10.285   3.141
   84    HG3  PRO  11           1HG      PRO  11   2.801  10.247   2.130
   85    HD2  PRO  11           2HD      PRO  11   0.374   9.619   1.152
   86    HD3  PRO  11           1HD      PRO  11   1.847   8.802   0.595
   87    H    ARG  12           H        ARG  12  -0.825   8.448   3.478
   88    HA   ARG  12           HA       ARG  12  -1.029   8.530   6.364
   89    HB2  ARG  12           2HB      ARG  12  -2.950   9.269   4.188
   90    HB3  ARG  12           1HB      ARG  12  -3.292   9.442   5.898
   91    HG2  ARG  12           2HG      ARG  12  -1.068  10.815   4.381
   92    HG3  ARG  12           1HG      ARG  12  -2.598  11.550   4.861
   93    HD2  ARG  12           2HD      ARG  12  -0.521  10.449   6.751
   94    HD3  ARG  12           1HD      ARG  12  -0.749  12.149   6.366
   95    HE   ARG  12           HE       ARG  12  -2.807  10.496   7.668
   96   HH11  ARG  12          1HH1      ARG  12  -0.992  13.568   7.444
   97   HH12  ARG  12          2HH1      ARG  12  -1.845  14.282   8.731
   98   HH21  ARG  12          1HH2      ARG  12  -3.904  11.506   9.436
   99   HH22  ARG  12          2HH2      ARG  12  -3.507  13.121   9.873
  100    H    ASN  13           H        ASN  13  -2.115   6.508   3.807
  101    HA   ASN  13           HA       ASN  13  -3.452   4.780   5.725
  102    HB2  ASN  13           2HB      ASN  13  -5.213   6.279   5.051
  103    HB3  ASN  13           1HB      ASN  13  -4.817   6.035   3.360
  104   HD21  ASN  13          1HD2      ASN  13  -6.880   5.437   2.920
  105   HD22  ASN  13          2HD2      ASN  13  -7.560   3.920   3.373
  106    H    ASP  14           H        ASP  14  -2.369   3.003   5.368
  107    HA   ASP  14           HA       ASP  14  -1.601   2.170   2.685
  108    HB2  ASP  14           2HB      ASP  14  -0.032   1.880   4.605
  109    HB3  ASP  14           1HB      ASP  14  -1.197   0.792   5.348
  110    H    LYS  15           H        LYS  15  -2.858   0.872   1.563
  111    HA   LYS  15           HA       LYS  15  -4.629  -0.922   3.004
  112    HB2  LYS  15           2HB      LYS  15  -5.305   0.816   0.646
  113    HB3  LYS  15           1HB      LYS  15  -6.200  -0.659   0.980
  114    HG2  LYS  15           2HG      LYS  15  -5.916   1.699   2.834
  115    HG3  LYS  15           1HG      LYS  15  -7.341   1.269   1.881
  116    HD2  LYS  15           2HD      LYS  15  -7.516  -0.859   3.096
  117    HD3  LYS  15           1HD      LYS  15  -6.088  -0.427   4.035
  118    HE2  LYS  15           2HE      LYS  15  -8.032  -0.009   5.320
  119    HE3  LYS  15           1HE      LYS  15  -7.225   1.503   4.901
  120    HZ1  LYS  15           3HZ      LYS  15  -9.673   0.416   3.584
  121    HZ2  LYS  15           1HZ      LYS  15  -8.885   1.831   3.133
  122    HZ3  LYS  15           2HZ      LYS  15  -9.612   1.736   4.631
  123    H    CYS  16           H        CYS  16  -1.948  -1.278   1.887
  124    HA   CYS  16           HA       CYS  16  -2.324  -2.680  -0.585
  125    HB2  CYS  16           2HB      CYS  16   0.066  -2.781   1.261
  126    HB3  CYS  16           1HB      CYS  16   0.034  -3.168  -0.448
  127    H    CYS  17           H        CYS  17  -1.981  -4.974  -0.805
  128    HA   CYS  17           HA       CYS  17  -3.507  -6.501   0.971
  129    HB2  CYS  17           2HB      CYS  17  -1.593  -7.427  -1.167
  130    HB3  CYS  17           1HB      CYS  17  -2.835  -8.423  -0.416
  131    H    SER  18           H        SER  18  -2.799  -8.610   1.986
  132    HA   SER  18           HA       SER  18  -0.995  -8.143   4.055
  133    HB2  SER  18           2HB      SER  18  -2.059 -10.758   2.991
  134    HB3  SER  18           1HB      SER  18  -1.393 -10.492   4.609
  135    HG   SER  18           HG       SER  18  -3.087  -8.721   4.564
  136    H    GLY  19           H        GLY  19   1.138  -8.052   3.951
  137    HA2  GLY  19           2HA      GLY  19   3.273  -9.044   3.623
  138    HA3  GLY  19           1HA      GLY  19   2.592 -10.017   2.321
  139    H    LEU  20           H        LEU  20   1.473  -6.931   2.103
  140    HA   LEU  20           HA       LEU  20   3.594  -6.045   0.307
  141    HB2  LEU  20           2HB      LEU  20   1.325  -7.000  -0.568
  142    HB3  LEU  20           1HB      LEU  20   0.658  -5.507   0.041
  143    HG   LEU  20           HG       LEU  20   2.222  -4.291  -1.480
  144   HD11  LEU  20          1HD1      LEU  20   2.603  -7.069  -2.563
  145   HD12  LEU  20          2HD1      LEU  20   3.808  -6.140  -1.676
  146   HD13  LEU  20          3HD1      LEU  20   3.231  -5.560  -3.251
  147   HD21  LEU  20          3HD2      LEU  20  -0.115  -4.671  -2.046
  148   HD22  LEU  20          1HD2      LEU  20   0.308  -6.256  -2.700
  149   HD23  LEU  20          2HD2      LEU  20   0.927  -4.800  -3.469
  150    H    LYS  21           H        LYS  21   3.954  -3.749   0.550
  151    HA   LYS  21           HA       LYS  21   2.243  -2.314   2.405
  152    HB2  LYS  21           2HB      LYS  21   3.967  -3.366   3.830
  153    HB3  LYS  21           1HB      LYS  21   5.215  -2.580   2.868
  154    HG2  LYS  21           2HG      LYS  21   4.399  -0.399   3.605
  155    HG3  LYS  21           1HG      LYS  21   3.142  -1.190   4.554
  156    HD2  LYS  21           2HD      LYS  21   4.875  -2.313   5.886
  157    HD3  LYS  21           1HD      LYS  21   6.118  -1.494   4.943
  158    HE2  LYS  21           2HE      LYS  21   5.744  -0.353   7.073
  159    HE3  LYS  21           1HE      LYS  21   5.293   0.673   5.716
  160    HZ1  LYS  21           3HZ      LYS  21   2.977   0.092   6.105
  161    HZ2  LYS  21           1HZ      LYS  21   3.668   0.795   7.463
  162    HZ3  LYS  21           2HZ      LYS  21   3.409  -0.861   7.432
  163    H    CYS  22           H        CYS  22   2.277  -0.191   2.177
  164    HA   CYS  22           HA       CYS  22   3.094   0.921  -0.300
  165    HB2  CYS  22           2HB      CYS  22   1.068   1.559   1.034
  166    HB3  CYS  22           1HB      CYS  22   2.142   2.258   2.234
  167    H    GLY  23           H        GLY  23   4.975   1.904  -0.726
  168    HA2  GLY  23           2HA      GLY  23   7.117   1.940   1.123
  169    HA3  GLY  23           1HA      GLY  23   7.093   2.727  -0.451
  170    H    SER  24           H        SER  24   8.360   3.896   1.703
  171    HA   SER  24           HA       SER  24   6.597   5.787   2.927
  172    HB2  SER  24           2HB      SER  24   8.857   6.495   3.918
  173    HB3  SER  24           1HB      SER  24   8.230   4.896   4.343
  174    HG   SER  24           HG       SER  24  10.359   4.741   3.755
  175    H    ASN  25           H        ASN  25   9.565   6.002   0.954
  176    HA   ASN  25           HA       ASN  25   8.805   8.726   0.271
  177    HB2  ASN  25           2HB      ASN  25  10.992   9.045  -0.710
  178    HB3  ASN  25           1HB      ASN  25  11.206   8.252   0.838
  179   HD21  ASN  25          1HD2      ASN  25  11.548   8.014  -2.578
  180   HD22  ASN  25          2HD2      ASN  25  12.427   6.540  -2.612
  181    H    HIS  26           H        HIS  26   8.976   5.597  -1.178
  182    HA   HIS  26           HA       HIS  26   7.798   6.698  -3.623
  183    HB2  HIS  26           2HB      HIS  26   8.954   3.965  -3.040
  184    HB3  HIS  26           1HB      HIS  26   8.086   4.356  -4.510
  185    HD1  HIS  26           1HD      HIS  26   9.308   6.523  -5.819
  186    HD2  HIS  26           2HD      HIS  26  11.560   4.128  -3.306
  187    HE1  HIS  26           1HE      HIS  26  11.711   6.858  -6.511
  188    H    ASN  27           H        ASN  27   5.687   6.907  -3.195
  189    HA   ASN  27           HA       ASN  27   4.460   5.053  -1.390
  190    HB2  ASN  27           2HB      ASN  27   3.275   7.399  -2.842
  191    HB3  ASN  27           1HB      ASN  27   2.385   6.383  -1.721
  192   HD21  ASN  27          1HD2      ASN  27   4.679   6.118   0.148
  193   HD22  ASN  27          2HD2      ASN  27   4.841   7.654   0.880
  194    H    TRP  28           H        TRP  28   4.851   3.254  -2.663
  195    HA   TRP  28           HA       TRP  28   2.436   2.600  -4.044
  196    HB2  TRP  28           2HB      TRP  28   3.731   1.249  -5.772
  197    HB3  TRP  28           1HB      TRP  28   3.669   2.981  -6.004
  198    HD1  TRP  28           HD       TRP  28   6.209   1.309  -3.626
  199    HE1  TRP  28           1HE      TRP  28   8.569   1.654  -4.560
  200    HE3  TRP  28           3HE      TRP  28   4.994   3.430  -8.108
  201    HZ2  TRP  28           2HZ      TRP  28   9.755   2.650  -6.869
  202    HZ3  TRP  28           3HZ      TRP  28   6.817   4.057  -9.635
  203    HH2  TRP  28           HH       TRP  28   9.155   3.679  -9.030
  204    H    CYS  29           H        CYS  29   1.958   0.483  -4.048
  205    HA   CYS  29           HA       CYS  29   2.772  -0.867  -1.660
  206    HB2  CYS  29           2HB      CYS  29   0.976  -1.700  -3.912
  207    HB3  CYS  29           1HB      CYS  29   1.162  -2.617  -2.435
  208    H    LYS  30           H        LYS  30   4.684  -1.818  -1.594
  209    HA   LYS  30           HA       LYS  30   5.361  -3.704  -3.736
  210    HB2  LYS  30           2HB      LYS  30   7.286  -1.984  -2.153
  211    HB3  LYS  30           1HB      LYS  30   7.779  -3.291  -3.205
  212    HG2  LYS  30           2HG      LYS  30   6.403  -0.743  -4.020
  213    HG3  LYS  30           1HG      LYS  30   8.081  -1.172  -4.332
  214    HD2  LYS  30           2HD      LYS  30   7.226  -3.126  -5.676
  215    HD3  LYS  30           1HD      LYS  30   5.604  -2.475  -5.451
  216    HE2  LYS  30           2HE      LYS  30   6.442  -1.786  -7.604
  217    HE3  LYS  30           1HE      LYS  30   6.322  -0.379  -6.548
  218    HZ1  LYS  30           3HZ      LYS  30   8.381  -0.443  -7.836
  219    HZ2  LYS  30           1HZ      LYS  30   8.808  -1.884  -7.100
  220    HZ3  LYS  30           2HZ      LYS  30   8.701  -0.481  -6.181
  221    H    LEU  31           H        LEU  31   7.257  -5.223  -2.681
  222    HA   LEU  31           HA       LEU  31   5.760  -6.869  -0.962
  223    HB2  LEU  31           2HB      LEU  31   8.703  -6.945  -1.560
  224    HB3  LEU  31           1HB      LEU  31   7.804  -8.208  -0.755
  225    HG   LEU  31           HG       LEU  31   7.430  -7.315  -3.608
  226   HD11  LEU  31          1HD1      LEU  31   8.309  -9.519  -4.139
  227   HD12  LEU  31          2HD1      LEU  31   8.600  -9.814  -2.422
  228   HD13  LEU  31          3HD1      LEU  31   9.478  -8.534  -3.262
  229   HD21  LEU  31          3HD2      LEU  31   5.935  -9.235  -3.787
  230   HD22  LEU  31          1HD2      LEU  31   5.321  -8.048  -2.639
  231   HD23  LEU  31          2HD2      LEU  31   6.091  -9.523  -2.053
  232    H    HIS  32           H        HIS  32   5.803  -7.286   1.148
  233    HA   HIS  32           HA       HIS  32   7.524  -5.603   2.810
  234    HB2  HIS  32           2HB      HIS  32   5.157  -4.965   2.985
  235    HB3  HIS  32           1HB      HIS  32   4.732  -6.625   3.375
  236    HD1  HIS  32           1HD      HIS  32   4.352  -6.938   5.843
  237    HD2  HIS  32           2HD      HIS  32   7.133  -3.959   5.037
  238    HE1  HIS  32           1HE      HIS  32   5.043  -6.019   8.061
  239    H    LEU  33           H        LEU  33   9.058  -6.848   3.615
  240    HA   LEU  33           HA       LEU  33   8.340  -9.549   4.494
  241    HB2  LEU  33           2HB      LEU  33  11.054  -8.607   3.504
  242    HB3  LEU  33           1HB      LEU  33  10.728 -10.186   4.169
  243    HG   LEU  33           HG       LEU  33   9.123 -10.488   2.175
  244   HD11  LEU  33          1HD1      LEU  33   9.664  -9.219   0.172
  245   HD12  LEU  33          2HD1      LEU  33  10.722  -8.176   1.123
  246   HD13  LEU  33          3HD1      LEU  33   8.987  -8.200   1.442
  247   HD21  LEU  33          3HD2      LEU  33  12.095 -10.311   1.728
  248   HD22  LEU  33          1HD2      LEU  33  10.954 -11.195   0.712
  249   HD23  LEU  33          2HD2      LEU  33  11.206 -11.686   2.386
  Start of MODEL   14
    1    H1   ASP   1           1HT      ASP   1 -11.288  -3.491  -1.273
    2    H2   ASP   1           2HT      ASP   1 -12.073  -4.367  -2.494
    3    H3   ASP   1           3HT      ASP   1 -10.907  -3.182  -2.873
    4    HA   ASP   1           HA       ASP   1 -10.296  -5.603  -1.342
    5    HB2  ASP   1           2HB      ASP   1 -10.912  -6.074  -3.745
    6    HB3  ASP   1           1HB      ASP   1  -9.664  -4.938  -4.235
    7    H    CYS   2           H        CYS   2  -7.783  -5.825  -1.572
    8    HA   CYS   2           HA       CYS   2  -6.753  -3.394  -0.465
    9    HB2  CYS   2           2HB      CYS   2  -4.696  -4.779  -0.182
   10    HB3  CYS   2           1HB      CYS   2  -6.144  -5.444   0.571
   11    H    LEU   3           H        LEU   3  -4.672  -2.527  -1.160
   12    HA   LEU   3           HA       LEU   3  -4.624  -2.089  -3.996
   13    HB2  LEU   3           2HB      LEU   3  -2.639  -1.201  -1.897
   14    HB3  LEU   3           1HB      LEU   3  -2.769  -0.603  -3.531
   15    HG   LEU   3           HG       LEU   3  -4.821  -0.272  -1.393
   16   HD11  LEU   3          1HD1      LEU   3  -4.116   2.106  -1.434
   17   HD12  LEU   3          2HD1      LEU   3  -2.847   1.680  -2.586
   18   HD13  LEU   3          3HD1      LEU   3  -2.802   1.029  -0.946
   19   HD21  LEU   3          3HD2      LEU   3  -5.869   1.310  -2.980
   20   HD22  LEU   3          1HD2      LEU   3  -5.804  -0.340  -3.613
   21   HD23  LEU   3          2HD2      LEU   3  -4.649   0.864  -4.175
   22    H    LYS   4           H        LYS   4  -3.283  -3.012  -5.359
   23    HA   LYS   4           HA       LYS   4  -1.931  -5.389  -4.379
   24    HB2  LYS   4           2HB      LYS   4  -2.514  -4.510  -7.198
   25    HB3  LYS   4           1HB      LYS   4  -1.815  -6.053  -6.729
   26    HG2  LYS   4           2HG      LYS   4  -3.868  -6.611  -5.516
   27    HG3  LYS   4           1HG      LYS   4  -4.557  -5.058  -5.983
   28    HD2  LYS   4           2HD      LYS   4  -5.393  -6.791  -7.446
   29    HD3  LYS   4           1HD      LYS   4  -4.341  -5.702  -8.353
   30    HE2  LYS   4           2HE      LYS   4  -3.907  -8.010  -8.963
   31    HE3  LYS   4           1HE      LYS   4  -2.507  -7.335  -8.148
   32    HZ1  LYS   4           3HZ      LYS   4  -4.556  -9.106  -6.939
   33    HZ2  LYS   4           1HZ      LYS   4  -3.237  -8.456  -6.103
   34    HZ3  LYS   4           2HZ      LYS   4  -2.972  -9.545  -7.353
   35    H    PHE   5           H        PHE   5   0.007  -5.937  -6.010
   36    HA   PHE   5           HA       PHE   5   2.081  -4.286  -5.074
   37    HB2  PHE   5           2HB      PHE   5   2.376  -6.688  -5.371
   38    HB3  PHE   5           1HB      PHE   5   2.109  -6.525  -7.100
   39    HD1  PHE   5           2HD      PHE   5   4.272  -4.920  -4.530
   40    HD2  PHE   5           1HD      PHE   5   3.986  -6.712  -8.366
   41    HE1  PHE   5           2HE      PHE   5   6.676  -4.585  -4.864
   42    HE2  PHE   5           1HE      PHE   5   6.390  -6.378  -8.706
   43    HZ   PHE   5           HZ       PHE   5   7.733  -5.313  -6.955
   44    H    GLY   6           H        GLY   6   2.660  -2.436  -5.816
   45    HA2  GLY   6           2HA      GLY   6   3.576  -1.044  -7.493
   46    HA3  GLY   6           1HA      GLY   6   2.692  -1.964  -8.704
   47    H    TRP   7           H        TRP   7   0.610  -1.400  -6.152
   48    HA   TRP   7           HA       TRP   7  -0.681   0.661  -7.720
   49    HB2  TRP   7           2HB      TRP   7  -1.582  -0.930  -5.331
   50    HB3  TRP   7           1HB      TRP   7  -2.510   0.425  -5.967
   51    HD1  TRP   7           HD       TRP   7  -0.777  -2.068  -8.302
   52    HE1  TRP   7           1HE      TRP   7  -2.587  -3.394  -9.568
   53    HE3  TRP   7           3HE      TRP   7  -4.900  -0.348  -5.852
   54    HZ2  TRP   7           2HZ      TRP   7  -5.384  -3.663  -9.530
   55    HZ3  TRP   7           3HZ      TRP   7  -7.107  -1.189  -6.524
   56    HH2  TRP   7           HH       TRP   7  -7.338  -2.811  -8.324
   57    H    LYS   8           H        LYS   8  -1.084   2.689  -7.057
   58    HA   LYS   8           HA       LYS   8   0.870   3.927  -5.433
   59    HB2  LYS   8           2HB      LYS   8  -0.381   4.921  -7.345
   60    HB3  LYS   8           1HB      LYS   8  -1.794   5.034  -6.299
   61    HG2  LYS   8           2HG      LYS   8  -0.809   7.186  -6.350
   62    HG3  LYS   8           1HG      LYS   8  -0.378   6.486  -4.789
   63    HD2  LYS   8           2HD      LYS   8   1.825   5.896  -5.651
   64    HD3  LYS   8           1HD      LYS   8   1.389   6.533  -7.237
   65    HE2  LYS   8           2HE      LYS   8   1.581   8.108  -4.672
   66    HE3  LYS   8           1HE      LYS   8   2.750   8.124  -5.978
   67    HZ1  LYS   8           3HZ      LYS   8   1.296  10.038  -6.071
   68    HZ2  LYS   8           1HZ      LYS   8  -0.067   9.070  -6.184
   69    HZ3  LYS   8           2HZ      LYS   8   1.065   9.086  -7.430
   70    H    CYS   9           H        CYS   9   0.847   4.330  -3.323
   71    HA   CYS   9           HA       CYS   9  -1.472   3.400  -1.785
   72    HB2  CYS   9           2HB      CYS   9  -0.036   3.128   0.063
   73    HB3  CYS   9           1HB      CYS   9   0.939   2.635  -1.322
   74    H    ASN  10           H        ASN  10  -1.806   4.815   0.298
   75    HA   ASN  10           HA       ASN  10  -1.443   7.631  -0.384
   76    HB2  ASN  10           2HB      ASN  10  -3.557   6.308   1.361
   77    HB3  ASN  10           1HB      ASN  10  -3.374   8.046   1.169
   78   HD21  ASN  10          1HD2      ASN  10  -5.636   6.335   0.560
   79   HD22  ASN  10          2HD2      ASN  10  -5.967   6.542  -1.108
   80    HA   PRO  11           HA       PRO  11   1.655   7.470   2.753
   81    HB2  PRO  11           2HB      PRO  11   1.239  10.070   3.763
   82    HB3  PRO  11           1HB      PRO  11   2.375   9.604   2.498
   83    HG2  PRO  11           2HG      PRO  11  -0.341  10.789   2.264
   84    HG3  PRO  11           1HG      PRO  11   1.070  10.990   1.215
   85    HD2  PRO  11           2HD      PRO  11  -1.026   9.479   0.499
   86    HD3  PRO  11           1HD      PRO  11   0.631   9.037   0.043
   87    H    ARG  12           H        ARG  12  -1.462   8.838   3.668
   88    HA   ARG  12           HA       ARG  12  -1.054   8.150   6.470
   89    HB2  ARG  12           2HB      ARG  12  -3.303   9.501   5.030
   90    HB3  ARG  12           1HB      ARG  12  -3.276   9.171   6.747
   91    HG2  ARG  12           2HG      ARG  12  -1.224  10.850   5.287
   92    HG3  ARG  12           1HG      ARG  12  -2.617  11.518   6.140
   93    HD2  ARG  12           2HD      ARG  12  -1.813  10.710   8.228
   94    HD3  ARG  12           1HD      ARG  12  -0.536   9.777   7.458
   95    HE   ARG  12           HE       ARG  12   0.168  12.133   6.659
   96   HH11  ARG  12          1HH1      ARG  12  -1.177  11.418   9.871
   97   HH12  ARG  12          2HH1      ARG  12  -0.124  12.485  10.677
   98   HH21  ARG  12          1HH2      ARG  12   1.578  13.580   7.791
   99   HH22  ARG  12          2HH2      ARG  12   1.452  13.744   9.499
  100    H    ASN  13           H        ASN  13  -2.589   6.869   3.748
  101    HA   ASN  13           HA       ASN  13  -3.922   4.866   5.447
  102    HB2  ASN  13           2HB      ASN  13  -5.649   6.385   4.600
  103    HB3  ASN  13           1HB      ASN  13  -5.121   6.095   2.952
  104   HD21  ASN  13          1HD2      ASN  13  -7.198   5.368   2.381
  105   HD22  ASN  13          2HD2      ASN  13  -7.777   3.829   2.845
  106    H    ASP  14           H        ASP  14  -2.431   3.315   5.185
  107    HA   ASP  14           HA       ASP  14  -1.644   2.414   2.530
  108    HB2  ASP  14           2HB      ASP  14   0.003   2.409   4.444
  109    HB3  ASP  14           1HB      ASP  14  -1.007   1.204   5.234
  110    H    LYS  15           H        LYS  15  -3.057   1.226   1.512
  111    HA   LYS  15           HA       LYS  15  -4.641  -0.712   3.036
  112    HB2  LYS  15           2HB      LYS  15  -5.310   0.872   0.591
  113    HB3  LYS  15           1HB      LYS  15  -6.153  -0.624   0.959
  114    HG2  LYS  15           2HG      LYS  15  -6.015   1.825   2.695
  115    HG3  LYS  15           1HG      LYS  15  -7.404   1.255   1.762
  116    HD2  LYS  15           2HD      LYS  15  -7.346  -0.863   3.093
  117    HD3  LYS  15           1HD      LYS  15  -6.097  -0.138   4.100
  118    HE2  LYS  15           2HE      LYS  15  -8.158   0.093   5.171
  119    HE3  LYS  15           1HE      LYS  15  -7.591   1.673   4.617
  120    HZ1  LYS  15           3HZ      LYS  15  -9.986   1.354   4.182
  121    HZ2  LYS  15           1HZ      LYS  15  -9.642   0.001   3.261
  122    HZ3  LYS  15           2HZ      LYS  15  -9.154   1.514   2.720
  123    H    CYS  16           H        CYS  16  -1.931  -1.085   1.949
  124    HA   CYS  16           HA       CYS  16  -2.225  -2.517  -0.473
  125    HB2  CYS  16           2HB      CYS  16   0.054  -2.646   1.506
  126    HB3  CYS  16           1HB      CYS  16   0.109  -3.129  -0.178
  127    H    CYS  17           H        CYS  17  -1.846  -4.811  -0.713
  128    HA   CYS  17           HA       CYS  17  -3.493  -6.393   0.917
  129    HB2  CYS  17           2HB      CYS  17  -1.435  -7.264  -1.103
  130    HB3  CYS  17           1HB      CYS  17  -2.743  -8.259  -0.473
  131    H    SER  18           H        SER  18  -2.676  -8.669   1.688
  132    HA   SER  18           HA       SER  18  -1.017  -8.317   3.903
  133    HB2  SER  18           2HB      SER  18  -1.862 -10.854   2.503
  134    HB3  SER  18           1HB      SER  18  -1.349 -10.699   4.188
  135    HG   SER  18           HG       SER  18  -3.129  -9.154   4.367
  136    H    GLY  19           H        GLY  19   1.146  -8.443   4.087
  137    HA2  GLY  19           2HA      GLY  19   3.343  -9.011   3.642
  138    HA3  GLY  19           1HA      GLY  19   2.777 -10.050   2.335
  139    H    LEU  20           H        LEU  20   1.607  -6.869   2.396
  140    HA   LEU  20           HA       LEU  20   3.517  -5.947   0.399
  141    HB2  LEU  20           2HB      LEU  20   1.230  -7.004  -0.356
  142    HB3  LEU  20           1HB      LEU  20   0.578  -5.482   0.206
  143    HG   LEU  20           HG       LEU  20   2.206  -4.365  -1.352
  144   HD11  LEU  20          1HD1      LEU  20   3.653  -6.249  -1.607
  145   HD12  LEU  20          2HD1      LEU  20   3.004  -5.796  -3.196
  146   HD13  LEU  20          3HD1      LEU  20   2.361  -7.200  -2.318
  147   HD21  LEU  20          3HD2      LEU  20   0.099  -6.176  -2.499
  148   HD22  LEU  20          1HD2      LEU  20   0.786  -4.759  -3.284
  149   HD23  LEU  20          2HD2      LEU  20  -0.178  -4.572  -1.817
  150    H    LYS  21           H        LYS  21   3.915  -3.764   0.735
  151    HA   LYS  21           HA       LYS  21   2.147  -2.197   2.439
  152    HB2  LYS  21           2HB      LYS  21   3.687  -3.384   4.026
  153    HB3  LYS  21           1HB      LYS  21   5.045  -2.652   3.181
  154    HG2  LYS  21           2HG      LYS  21   4.202  -0.423   3.848
  155    HG3  LYS  21           1HG      LYS  21   2.931  -1.215   4.779
  156    HD2  LYS  21           2HD      LYS  21   4.621  -2.332   6.148
  157    HD3  LYS  21           1HD      LYS  21   5.901  -1.577   5.202
  158    HE2  LYS  21           2HE      LYS  21   5.031   0.647   5.907
  159    HE3  LYS  21           1HE      LYS  21   3.873  -0.183   6.946
  160    HZ1  LYS  21           3HZ      LYS  21   6.829  -0.324   7.157
  161    HZ2  LYS  21           1HZ      LYS  21   5.767  -1.165   8.151
  162    HZ3  LYS  21           2HZ      LYS  21   5.823   0.513   8.195
  163    H    CYS  22           H        CYS  22   2.563   0.045   2.175
  164    HA   CYS  22           HA       CYS  22   3.717   0.725  -0.304
  165    HB2  CYS  22           2HB      CYS  22   1.924   2.052   0.833
  166    HB3  CYS  22           1HB      CYS  22   3.121   2.573   2.017
  167    H    GLY  23           H        GLY  23   5.687   1.368  -0.817
  168    HA2  GLY  23           2HA      GLY  23   7.786   0.682   1.026
  169    HA3  GLY  23           1HA      GLY  23   7.979   1.208  -0.638
  170    H    SER  24           H        SER  24   9.803   2.127   0.945
  171    HA   SER  24           HA       SER  24   8.955   4.726   1.850
  172    HB2  SER  24           2HB      SER  24  11.397   4.752   2.672
  173    HB3  SER  24           1HB      SER  24  10.264   3.657   3.471
  174    HG   SER  24           HG       SER  24  11.869   2.369   3.061
  175    H    ASN  25           H        ASN  25  10.910   3.182  -0.634
  176    HA   ASN  25           HA       ASN  25  11.809   5.773  -1.550
  177    HB2  ASN  25           2HB      ASN  25  13.181   4.637  -3.197
  178    HB3  ASN  25           1HB      ASN  25  13.398   3.846  -1.647
  179   HD21  ASN  25          1HD2      ASN  25  13.970   2.840  -4.253
  180   HD22  ASN  25          2HD2      ASN  25  13.028   1.423  -4.498
  181    H    HIS  26           H        HIS  26   9.270   3.637  -2.168
  182    HA   HIS  26           HA       HIS  26   8.420   5.308  -4.422
  183    HB2  HIS  26           2HB      HIS  26   8.073   2.318  -4.134
  184    HB3  HIS  26           1HB      HIS  26   7.147   3.261  -5.275
  185    HD1  HIS  26           1HD      HIS  26   8.573   4.327  -7.319
  186    HD2  HIS  26           2HD      HIS  26  10.517   1.615  -4.876
  187    HE1  HIS  26           1HE      HIS  26  10.614   3.612  -8.579
  188    H    ASN  27           H        ASN  27   6.275   5.813  -4.468
  189    HA   ASN  27           HA       ASN  27   4.945   5.574  -1.875
  190    HB2  ASN  27           2HB      ASN  27   5.225   7.802  -3.098
  191    HB3  ASN  27           1HB      ASN  27   4.061   7.205  -4.273
  192   HD21  ASN  27          1HD2      ASN  27   3.906   6.654  -0.785
  193   HD22  ASN  27          2HD2      ASN  27   2.476   7.571  -0.546
  194    H    TRP  28           H        TRP  28   5.119   3.257  -3.403
  195    HA   TRP  28           HA       TRP  28   2.298   2.802  -3.811
  196    HB2  TRP  28           2HB      TRP  28   2.624   1.391  -5.785
  197    HB3  TRP  28           1HB      TRP  28   3.275   2.974  -6.063
  198    HD1  TRP  28           HD       TRP  28   5.101  -0.085  -4.478
  199    HE1  TRP  28           1HE      TRP  28   7.146  -0.622  -5.929
  200    HE3  TRP  28           3HE      TRP  28   4.366   3.325  -8.140
  201    HZ2  TRP  28           2HZ      TRP  28   8.293   0.263  -8.269
  202    HZ3  TRP  28           3HZ      TRP  28   5.998   3.424 -10.014
  203    HH2  TRP  28           HH       TRP  28   7.916   1.919 -10.078
  204    H    CYS  29           H        CYS  29   1.829   0.524  -3.855
  205    HA   CYS  29           HA       CYS  29   2.728  -0.755  -1.486
  206    HB2  CYS  29           2HB      CYS  29   1.003  -1.606  -3.771
  207    HB3  CYS  29           1HB      CYS  29   1.181  -2.588  -2.341
  208    H    LYS  30           H        LYS  30   4.635  -1.743  -1.345
  209    HA   LYS  30           HA       LYS  30   5.715  -3.187  -3.671
  210    HB2  LYS  30           2HB      LYS  30   7.157  -2.196  -1.206
  211    HB3  LYS  30           1HB      LYS  30   7.882  -2.982  -2.595
  212    HG2  LYS  30           2HG      LYS  30   7.282  -1.050  -3.982
  213    HG3  LYS  30           1HG      LYS  30   6.563  -0.273  -2.570
  214    HD2  LYS  30           2HD      LYS  30   8.776   0.626  -2.855
  215    HD3  LYS  30           1HD      LYS  30   8.786  -0.435  -1.447
  216    HE2  LYS  30           2HE      LYS  30   9.707  -2.244  -2.874
  217    HE3  LYS  30           1HE      LYS  30   9.781  -1.082  -4.203
  218    HZ1  LYS  30           3HZ      LYS  30  11.240  -0.890  -1.621
  219    HZ2  LYS  30           1HZ      LYS  30  11.297   0.268  -2.846
  220    HZ3  LYS  30           2HZ      LYS  30  11.908  -1.272  -3.110
  221    H    LEU  31           H        LEU  31   7.018  -5.156  -2.961
  222    HA   LEU  31           HA       LEU  31   5.445  -6.847  -1.271
  223    HB2  LEU  31           2HB      LEU  31   8.242  -7.230  -2.347
  224    HB3  LEU  31           1HB      LEU  31   7.262  -8.460  -1.587
  225    HG   LEU  31           HG       LEU  31   6.633  -7.131  -4.220
  226   HD11  LEU  31          1HD1      LEU  31   8.610  -8.549  -4.329
  227   HD12  LEU  31          2HD1      LEU  31   7.250  -9.285  -5.177
  228   HD13  LEU  31          3HD1      LEU  31   7.711  -9.867  -3.578
  229   HD21  LEU  31          3HD2      LEU  31   4.628  -7.873  -3.030
  230   HD22  LEU  31          1HD2      LEU  31   5.347  -9.468  -2.806
  231   HD23  LEU  31          2HD2      LEU  31   4.951  -8.899  -4.428
  232    H    HIS  32           H        HIS  32   5.591  -7.033   0.864
  233    HA   HIS  32           HA       HIS  32   7.696  -5.519   2.147
  234    HB2  HIS  32           2HB      HIS  32   5.344  -5.365   2.980
  235    HB3  HIS  32           1HB      HIS  32   5.450  -7.067   3.439
  236    HD1  HIS  32           1HD      HIS  32   6.700  -7.607   5.645
  237    HD2  HIS  32           2HD      HIS  32   6.868  -3.608   4.560
  238    HE1  HIS  32           1HE      HIS  32   7.670  -6.392   7.620
  239    H    LEU  33           H        LEU  33   9.377  -6.724   1.573
  240    HA   LEU  33           HA       LEU  33   9.587  -9.383   2.802
  241    HB2  LEU  33           2HB      LEU  33  11.249  -8.272   0.526
  242    HB3  LEU  33           1HB      LEU  33  11.276  -9.904   1.151
  243    HG   LEU  33           HG       LEU  33   8.987  -8.633  -0.345
  244   HD11  LEU  33          1HD1      LEU  33  10.881  -9.082  -1.782
  245   HD12  LEU  33          2HD1      LEU  33   9.557 -10.193  -2.127
  246   HD13  LEU  33          3HD1      LEU  33  10.950 -10.746  -1.200
  247   HD21  LEU  33          3HD2      LEU  33   9.319 -11.451   0.691
  248   HD22  LEU  33          1HD2      LEU  33   8.030 -10.900  -0.384
  249   HD23  LEU  33          2HD2      LEU  33   8.152 -10.244   1.242
  Start of MODEL   15
    1    H1   ASP   1           1HT      ASP   1 -12.085  -4.153  -2.140
    2    H2   ASP   1           2HT      ASP   1 -10.903  -3.147  -2.847
    3    H3   ASP   1           3HT      ASP   1 -11.079  -3.178  -1.194
    4    HA   ASP   1           HA       ASP   1 -10.265  -5.362  -1.020
    5    HB2  ASP   1           2HB      ASP   1  -9.424  -6.587  -2.948
    6    HB3  ASP   1           1HB      ASP   1 -11.107  -6.186  -3.250
    7    H    CYS   2           H        CYS   2  -7.967  -5.734  -0.964
    8    HA   CYS   2           HA       CYS   2  -6.623  -3.340  -0.446
    9    HB2  CYS   2           2HB      CYS   2  -4.707  -4.870  -0.045
   10    HB3  CYS   2           1HB      CYS   2  -6.186  -5.258   0.833
   11    H    LEU   3           H        LEU   3  -4.773  -2.477  -1.357
   12    HA   LEU   3           HA       LEU   3  -4.712  -2.356  -4.205
   13    HB2  LEU   3           2HB      LEU   3  -2.675  -1.358  -2.206
   14    HB3  LEU   3           1HB      LEU   3  -2.820  -0.872  -3.876
   15    HG   LEU   3           HG       LEU   3  -4.920  -0.356  -1.787
   16   HD11  LEU   3          1HD1      LEU   3  -2.881   0.837  -1.256
   17   HD12  LEU   3          2HD1      LEU   3  -4.109   1.959  -1.852
   18   HD13  LEU   3          3HD1      LEU   3  -2.788   1.453  -2.906
   19   HD21  LEU   3          3HD2      LEU   3  -4.536   0.765  -4.555
   20   HD22  LEU   3          1HD2      LEU   3  -5.823   1.195  -3.434
   21   HD23  LEU   3          2HD2      LEU   3  -5.747  -0.439  -4.106
   22    H    LYS   4           H        LYS   4  -3.148  -3.136  -5.563
   23    HA   LYS   4           HA       LYS   4  -1.867  -5.587  -4.633
   24    HB2  LYS   4           2HB      LYS   4  -2.288  -4.555  -7.426
   25    HB3  LYS   4           1HB      LYS   4  -1.727  -6.161  -7.000
   26    HG2  LYS   4           2HG      LYS   4  -3.870  -6.659  -5.975
   27    HG3  LYS   4           1HG      LYS   4  -4.426  -5.016  -6.316
   28    HD2  LYS   4           2HD      LYS   4  -4.014  -5.462  -8.723
   29    HD3  LYS   4           1HD      LYS   4  -3.681  -7.143  -8.303
   30    HE2  LYS   4           2HE      LYS   4  -5.930  -7.363  -7.396
   31    HE3  LYS   4           1HE      LYS   4  -6.251  -5.670  -7.768
   32    HZ1  LYS   4           3HZ      LYS   4  -7.181  -6.981  -9.492
   33    HZ2  LYS   4           1HZ      LYS   4  -5.755  -7.853  -9.724
   34    HZ3  LYS   4           2HZ      LYS   4  -5.827  -6.235 -10.133
   35    H    PHE   5           H        PHE   5   0.156  -6.065  -6.113
   36    HA   PHE   5           HA       PHE   5   2.213  -4.378  -5.207
   37    HB2  PHE   5           2HB      PHE   5   2.515  -6.797  -5.575
   38    HB3  PHE   5           1HB      PHE   5   2.323  -6.560  -7.305
   39    HD1  PHE   5           1HD      PHE   5   4.464  -5.910  -4.420
   40    HD2  PHE   5           2HD      PHE   5   4.148  -5.787  -8.648
   41    HE1  PHE   5           1HE      PHE   5   6.897  -5.525  -4.588
   42    HE2  PHE   5           2HE      PHE   5   6.573  -5.409  -8.830
   43    HZ   PHE   5           HZ       PHE   5   7.950  -5.282  -6.789
   44    H    GLY   6           H        GLY   6   2.727  -2.508  -5.949
   45    HA2  GLY   6           2HA      GLY   6   3.631  -1.083  -7.579
   46    HA3  GLY   6           1HA      GLY   6   2.950  -2.109  -8.835
   47    H    TRP   7           H        TRP   7   0.862  -1.358  -6.259
   48    HA   TRP   7           HA       TRP   7  -0.513   0.529  -7.964
   49    HB2  TRP   7           2HB      TRP   7  -1.387  -1.108  -5.603
   50    HB3  TRP   7           1HB      TRP   7  -2.346   0.254  -6.176
   51    HD1  TRP   7           HD       TRP   7  -0.559  -2.218  -8.509
   52    HE1  TRP   7           1HE      TRP   7  -2.340  -3.448  -9.897
   53    HE3  TRP   7           3HE      TRP   7  -4.706  -0.389  -6.237
   54    HZ2  TRP   7           2HZ      TRP   7  -5.160  -3.608 -10.002
   55    HZ3  TRP   7           3HZ      TRP   7  -6.892  -1.111  -6.999
   56    HH2  TRP   7           HH       TRP   7  -7.133  -2.694  -8.864
   57    H    LYS   8           H        LYS   8  -1.141   2.512  -7.165
   58    HA   LYS   8           HA       LYS   8   0.837   3.735  -5.515
   59    HB2  LYS   8           2HB      LYS   8  -0.318   4.645  -7.570
   60    HB3  LYS   8           1HB      LYS   8  -1.726   4.918  -6.552
   61    HG2  LYS   8           2HG      LYS   8  -0.515   6.957  -6.799
   62    HG3  LYS   8           1HG      LYS   8  -0.302   6.390  -5.138
   63    HD2  LYS   8           2HD      LYS   8   1.884   5.548  -5.643
   64    HD3  LYS   8           1HD      LYS   8   1.670   5.873  -7.362
   65    HE2  LYS   8           2HE      LYS   8   1.734   7.938  -5.171
   66    HE3  LYS   8           1HE      LYS   8   3.078   7.547  -6.240
   67    HZ1  LYS   8           3HZ      LYS   8   0.452   8.638  -7.098
   68    HZ2  LYS   8           1HZ      LYS   8   1.747   8.279  -8.121
   69    HZ3  LYS   8           2HZ      LYS   8   1.884   9.499  -6.975
   70    H    CYS   9           H        CYS   9   0.591   4.292  -3.421
   71    HA   CYS   9           HA       CYS   9  -1.936   3.499  -2.159
   72    HB2  CYS   9           2HB      CYS   9  -0.599   3.128  -0.085
   73    HB3  CYS   9           1HB      CYS   9  -0.136   2.067  -1.409
   74    H    ASN  10           H        ASN  10  -2.412   4.674  -0.151
   75    HA   ASN  10           HA       ASN  10  -2.088   7.492  -0.545
   76    HB2  ASN  10           2HB      ASN  10  -3.463   5.951   1.681
   77    HB3  ASN  10           1HB      ASN  10  -3.469   7.706   1.538
   78   HD21  ASN  10          1HD2      ASN  10  -5.709   5.827   1.499
   79   HD22  ASN  10          2HD2      ASN  10  -6.497   6.073  -0.008
   80    HA   PRO  11           HA       PRO  11   1.862   7.574   1.264
   81    HB2  PRO  11           2HB      PRO  11   1.431  10.166   2.405
   82    HB3  PRO  11           1HB      PRO  11   2.361   9.711   0.976
   83    HG2  PRO  11           2HG      PRO  11  -0.320  10.835   1.159
   84    HG3  PRO  11           1HG      PRO  11   0.772  10.748  -0.226
   85    HD2  PRO  11           2HD      PRO  11  -1.512   9.286   0.050
   86    HD3  PRO  11           1HD      PRO  11  -0.139   8.796  -0.957
   87    H    ARG  12           H        ARG  12  -0.794   8.657   3.324
   88    HA   ARG  12           HA       ARG  12   0.780   7.995   5.694
   89    HB2  ARG  12           2HB      ARG  12  -1.850   9.356   5.338
   90    HB3  ARG  12           1HB      ARG  12  -1.175   8.940   6.902
   91    HG2  ARG  12           2HG      ARG  12   0.092  10.729   4.840
   92    HG3  ARG  12           1HG      ARG  12  -0.772  11.297   6.272
   93    HD2  ARG  12           2HD      ARG  12   0.874  10.165   7.699
   94    HD3  ARG  12           1HD      ARG  12   1.724   9.598   6.264
   95    HE   ARG  12           HE       ARG  12   1.462  12.388   6.233
   96   HH11  ARG  12          1HH1      ARG  12   3.282   9.798   7.837
   97   HH12  ARG  12          2HH1      ARG  12   4.663  10.759   8.111
   98   HH21  ARG  12          1HH2      ARG  12   3.378  13.695   6.608
   99   HH22  ARG  12          2HH2      ARG  12   4.731  12.997   7.373
  100    H    ASN  13           H        ASN  13  -1.839   6.705   3.892
  101    HA   ASN  13           HA       ASN  13  -2.259   4.766   6.050
  102    HB2  ASN  13           2HB      ASN  13  -4.144   6.261   6.108
  103    HB3  ASN  13           1HB      ASN  13  -4.405   6.056   4.380
  104   HD21  ASN  13          1HD2      ASN  13  -4.622   4.513   7.492
  105   HD22  ASN  13          2HD2      ASN  13  -5.741   3.284   7.028
  106    H    ASP  14           H        ASP  14  -1.573   2.954   5.473
  107    HA   ASP  14           HA       ASP  14  -1.216   1.987   2.801
  108    HB2  ASP  14           2HB      ASP  14   0.250   1.326   4.684
  109    HB3  ASP  14           1HB      ASP  14  -1.112   0.529   5.452
  110    H    LYS  15           H        LYS  15  -2.672   0.943   1.579
  111    HA   LYS  15           HA       LYS  15  -4.800  -0.602   2.893
  112    HB2  LYS  15           2HB      LYS  15  -5.044   1.076   0.379
  113    HB3  LYS  15           1HB      LYS  15  -6.274  -0.040   0.932
  114    HG2  LYS  15           2HG      LYS  15  -5.353   2.448   2.381
  115    HG3  LYS  15           1HG      LYS  15  -6.843   2.286   1.461
  116    HD2  LYS  15           2HD      LYS  15  -6.124   0.755   3.976
  117    HD3  LYS  15           1HD      LYS  15  -7.231   2.116   3.883
  118    HE2  LYS  15           2HE      LYS  15  -7.580  -0.559   2.546
  119    HE3  LYS  15           1HE      LYS  15  -8.425  -0.021   3.992
  120    HZ1  LYS  15           3HZ      LYS  15  -8.655   1.192   1.290
  121    HZ2  LYS  15           1HZ      LYS  15  -9.475   1.730   2.659
  122    HZ3  LYS  15           2HZ      LYS  15  -9.801   0.219   1.995
  123    H    CYS  16           H        CYS  16  -2.130  -1.275   1.909
  124    HA   CYS  16           HA       CYS  16  -2.474  -2.602  -0.623
  125    HB2  CYS  16           2HB      CYS  16  -0.149  -2.803   1.312
  126    HB3  CYS  16           1HB      CYS  16  -0.129  -3.166  -0.407
  127    H    CYS  17           H        CYS  17  -2.088  -4.944  -0.849
  128    HA   CYS  17           HA       CYS  17  -3.645  -6.506   0.886
  129    HB2  CYS  17           2HB      CYS  17  -1.734  -7.321  -1.295
  130    HB3  CYS  17           1HB      CYS  17  -2.828  -8.429  -0.472
  131    H    SER  18           H        SER  18  -2.971  -8.611   1.870
  132    HA   SER  18           HA       SER  18  -1.152  -8.190   3.946
  133    HB2  SER  18           2HB      SER  18  -2.338 -10.766   2.910
  134    HB3  SER  18           1HB      SER  18  -1.676 -10.502   4.525
  135    HG   SER  18           HG       SER  18  -3.974 -10.340   4.388
  136    H    GLY  19           H        GLY  19   0.986  -8.189   3.820
  137    HA2  GLY  19           2HA      GLY  19   3.050  -9.358   3.466
  138    HA3  GLY  19           1HA      GLY  19   2.325 -10.134   2.058
  139    H    LEU  20           H        LEU  20   1.239  -7.140   1.867
  140    HA   LEU  20           HA       LEU  20   3.477  -6.176   0.270
  141    HB2  LEU  20           2HB      LEU  20   1.241  -6.939  -0.752
  142    HB3  LEU  20           1HB      LEU  20   0.566  -5.520   0.013
  143    HG   LEU  20           HG       LEU  20   2.143  -4.132  -1.289
  144   HD11  LEU  20          1HD1      LEU  20   3.832  -5.833  -1.637
  145   HD12  LEU  20          2HD1      LEU  20   3.248  -5.164  -3.165
  146   HD13  LEU  20          3HD1      LEU  20   2.703  -6.765  -2.623
  147   HD21  LEU  20          3HD2      LEU  20   0.385  -5.986  -2.842
  148   HD22  LEU  20          1HD2      LEU  20   1.003  -4.437  -3.388
  149   HD23  LEU  20          2HD2      LEU  20  -0.135  -4.502  -2.033
  150    H    LYS  21           H        LYS  21   3.760  -3.801   0.471
  151    HA   LYS  21           HA       LYS  21   2.290  -2.573   2.659
  152    HB2  LYS  21           2HB      LYS  21   4.344  -3.833   3.527
  153    HB3  LYS  21           1HB      LYS  21   5.277  -2.601   2.682
  154    HG2  LYS  21           2HG      LYS  21   5.131  -1.978   4.979
  155    HG3  LYS  21           1HG      LYS  21   4.117  -0.878   4.040
  156    HD2  LYS  21           2HD      LYS  21   2.133  -2.183   4.644
  157    HD3  LYS  21           1HD      LYS  21   3.146  -3.293   5.568
  158    HE2  LYS  21           2HE      LYS  21   3.820  -1.412   6.995
  159    HE3  LYS  21           1HE      LYS  21   2.723  -0.365   6.096
  160    HZ1  LYS  21           3HZ      LYS  21   1.703  -1.149   8.128
  161    HZ2  LYS  21           1HZ      LYS  21   1.964  -2.757   7.673
  162    HZ3  LYS  21           2HZ      LYS  21   0.887  -1.799   6.799
  163    H    CYS  22           H        CYS  22   2.168  -0.480   2.453
  164    HA   CYS  22           HA       CYS  22   3.099   0.919   0.135
  165    HB2  CYS  22           2HB      CYS  22   0.944   1.460   1.196
  166    HB3  CYS  22           1HB      CYS  22   1.754   1.825   2.708
  167    H    GLY  23           H        GLY  23   5.071   1.787  -0.050
  168    HA2  GLY  23           2HA      GLY  23   6.973   1.509   2.041
  169    HA3  GLY  23           1HA      GLY  23   7.252   2.256   0.476
  170    H    SER  24           H        SER  24   8.478   3.310   2.590
  171    HA   SER  24           HA       SER  24   6.892   5.585   3.429
  172    HB2  SER  24           2HB      SER  24   9.004   6.033   4.807
  173    HB3  SER  24           1HB      SER  24   8.041   4.626   5.258
  174    HG   SER  24           HG       SER  24   9.543   3.313   4.479
  175    H    ASN  25           H        ASN  25   9.845   4.801   1.691
  176    HA   ASN  25           HA       ASN  25  10.097   7.569   0.780
  177    HB2  ASN  25           2HB      ASN  25  11.944   5.190   0.566
  178    HB3  ASN  25           1HB      ASN  25  12.217   6.668  -0.345
  179   HD21  ASN  25          1HD2      ASN  25  12.878   8.484   0.718
  180   HD22  ASN  25          2HD2      ASN  25  13.459   8.484   2.342
  181    H    HIS  26           H        HIS  26   8.346   5.083  -0.054
  182    HA   HIS  26           HA       HIS  26   8.290   5.838  -2.875
  183    HB2  HIS  26           2HB      HIS  26   8.177   3.009  -1.775
  184    HB3  HIS  26           1HB      HIS  26   7.787   3.421  -3.432
  185    HD1  HIS  26           1HD      HIS  26   9.856   4.266  -4.925
  186    HD2  HIS  26           2HD      HIS  26  10.764   2.668  -1.223
  187    HE1  HIS  26           1HE      HIS  26  12.319   3.732  -4.998
  188    H    ASN  27           H        ASN  27   6.210   6.278  -3.516
  189    HA   ASN  27           HA       ASN  27   4.216   5.975  -1.425
  190    HB2  ASN  27           2HB      ASN  27   4.594   8.235  -2.453
  191    HB3  ASN  27           1HB      ASN  27   4.001   7.598  -3.982
  192   HD21  ASN  27          1HD2      ASN  27   2.650   6.744  -0.856
  193   HD22  ASN  27          2HD2      ASN  27   1.115   7.473  -1.133
  194    H    TRP  28           H        TRP  28   4.943   3.664  -2.840
  195    HA   TRP  28           HA       TRP  28   2.323   2.994  -3.822
  196    HB2  TRP  28           2HB      TRP  28   3.363   1.595  -5.685
  197    HB3  TRP  28           1HB      TRP  28   3.350   3.334  -5.906
  198    HD1  TRP  28           HD       TRP  28   6.027   1.496  -3.841
  199    HE1  TRP  28           1HE      TRP  28   8.299   1.798  -5.016
  200    HE3  TRP  28           3HE      TRP  28   4.459   3.877  -8.058
  201    HZ2  TRP  28           2HZ      TRP  28   9.278   2.850  -7.359
  202    HZ3  TRP  28           3HZ      TRP  28   6.146   4.516  -9.745
  203    HH2  TRP  28           HH       TRP  28   8.513   4.018  -9.405
  204    H    CYS  29           H        CYS  29   1.918   0.724  -3.954
  205    HA   CYS  29           HA       CYS  29   2.747  -0.607  -1.562
  206    HB2  CYS  29           2HB      CYS  29   0.984  -1.414  -3.848
  207    HB3  CYS  29           1HB      CYS  29   1.215  -2.414  -2.439
  208    H    LYS  30           H        LYS  30   4.689  -1.503  -1.539
  209    HA   LYS  30           HA       LYS  30   5.330  -3.403  -3.667
  210    HB2  LYS  30           2HB      LYS  30   7.295  -1.622  -2.185
  211    HB3  LYS  30           1HB      LYS  30   7.772  -2.961  -3.214
  212    HG2  LYS  30           2HG      LYS  30   6.280  -0.495  -4.081
  213    HG3  LYS  30           1HG      LYS  30   7.981  -0.826  -4.399
  214    HD2  LYS  30           2HD      LYS  30   7.322  -2.793  -5.741
  215    HD3  LYS  30           1HD      LYS  30   5.628  -2.443  -5.407
  216    HE2  LYS  30           2HE      LYS  30   6.147  -1.611  -7.591
  217    HE3  LYS  30           1HE      LYS  30   5.928  -0.237  -6.510
  218    HZ1  LYS  30           3HZ      LYS  30   8.489  -1.334  -7.492
  219    HZ2  LYS  30           1HZ      LYS  30   8.378  -0.111  -6.331
  220    HZ3  LYS  30           2HZ      LYS  30   7.790   0.134  -7.881
  221    H    LEU  31           H        LEU  31   7.330  -4.828  -2.529
  222    HA   LEU  31           HA       LEU  31   5.775  -6.469  -0.864
  223    HB2  LEU  31           2HB      LEU  31   8.707  -6.512  -1.458
  224    HB3  LEU  31           1HB      LEU  31   7.891  -7.737  -0.513
  225    HG   LEU  31           HG       LEU  31   7.251  -7.075  -3.384
  226   HD11  LEU  31          1HD1      LEU  31   8.780  -9.356  -2.175
  227   HD12  LEU  31          2HD1      LEU  31   9.438  -8.057  -3.174
  228   HD13  LEU  31          3HD1      LEU  31   8.306  -9.217  -3.869
  229   HD21  LEU  31          3HD2      LEU  31   5.313  -7.949  -2.210
  230   HD22  LEU  31          1HD2      LEU  31   6.286  -9.271  -1.556
  231   HD23  LEU  31          2HD2      LEU  31   5.977  -9.178  -3.281
  232    H    HIS  32           H        HIS  32   5.733  -6.944   1.228
  233    HA   HIS  32           HA       HIS  32   6.750  -5.007   3.080
  234    HB2  HIS  32           2HB      HIS  32   4.523  -6.070   3.383
  235    HB3  HIS  32           1HB      HIS  32   5.309  -7.636   3.523
  236    HD1  HIS  32           1HD      HIS  32   5.816  -8.365   5.874
  237    HD2  HIS  32           2HD      HIS  32   5.237  -4.270   5.570
  238    HE1  HIS  32           1HE      HIS  32   5.856  -7.480   8.229
  239    H    LEU  33           H        LEU  33   8.830  -5.114   3.126
  240    HA   LEU  33           HA       LEU  33  10.172  -7.446   4.166
  241    HB2  LEU  33           2HB      LEU  33  10.334  -7.766   1.737
  242    HB3  LEU  33           1HB      LEU  33  10.915  -6.134   1.531
  243    HG   LEU  33           HG       LEU  33  12.988  -6.748   2.750
  244   HD11  LEU  33          1HD1      LEU  33  12.114  -8.569   4.094
  245   HD12  LEU  33          2HD1      LEU  33  13.507  -9.084   3.146
  246   HD13  LEU  33          3HD1      LEU  33  11.881  -9.543   2.642
  247   HD21  LEU  33          3HD2      LEU  33  12.329  -8.465   0.363
  248   HD22  LEU  33          1HD2      LEU  33  13.951  -8.091   0.947
  249   HD23  LEU  33          2HD2      LEU  33  12.921  -6.803   0.322
  Start of MODEL   16
    1    H1   ASP   1           1HT      ASP   1 -11.173  -3.131  -1.801
    2    H2   ASP   1           2HT      ASP   1 -11.943  -3.885  -3.096
    3    H3   ASP   1           3HT      ASP   1 -10.732  -2.735  -3.370
    4    HA   ASP   1           HA       ASP   1 -10.281  -5.338  -2.059
    5    HB2  ASP   1           2HB      ASP   1  -8.979  -5.888  -4.068
    6    HB3  ASP   1           1HB      ASP   1 -10.649  -5.570  -4.504
    7    H    CYS   2           H        CYS   2  -7.953  -5.732  -1.718
    8    HA   CYS   2           HA       CYS   2  -6.780  -3.366  -0.664
    9    HB2  CYS   2           2HB      CYS   2  -4.871  -4.863  -0.042
   10    HB3  CYS   2           1HB      CYS   2  -6.422  -5.407   0.575
   11    H    LEU   3           H        LEU   3  -4.837  -2.445  -1.249
   12    HA   LEU   3           HA       LEU   3  -4.550  -2.176  -4.046
   13    HB2  LEU   3           2HB      LEU   3  -2.702  -1.183  -1.879
   14    HB3  LEU   3           1HB      LEU   3  -2.783  -0.629  -3.533
   15    HG   LEU   3           HG       LEU   3  -4.954  -0.306  -1.498
   16   HD11  LEU   3          1HD1      LEU   3  -2.995   1.656  -2.660
   17   HD12  LEU   3          2HD1      LEU   3  -2.995   1.049  -1.002
   18   HD13  LEU   3          3HD1      LEU   3  -4.320   2.070  -1.573
   19   HD21  LEU   3          3HD2      LEU   3  -4.684   0.815  -4.275
   20   HD22  LEU   3          1HD2      LEU   3  -5.981   1.173  -3.138
   21   HD23  LEU   3          2HD2      LEU   3  -5.801  -0.462  -3.788
   22    H    LYS   4           H        LYS   4  -3.248  -3.144  -5.299
   23    HA   LYS   4           HA       LYS   4  -1.830  -5.447  -4.257
   24    HB2  LYS   4           2HB      LYS   4  -2.732  -4.696  -7.027
   25    HB3  LYS   4           1HB      LYS   4  -1.884  -6.190  -6.636
   26    HG2  LYS   4           2HG      LYS   4  -3.667  -6.952  -5.270
   27    HG3  LYS   4           1HG      LYS   4  -4.449  -5.377  -5.308
   28    HD2  LYS   4           2HD      LYS   4  -4.950  -5.636  -7.650
   29    HD3  LYS   4           1HD      LYS   4  -4.050  -7.154  -7.706
   30    HE2  LYS   4           2HE      LYS   4  -6.512  -7.470  -7.552
   31    HE3  LYS   4           1HE      LYS   4  -5.623  -8.207  -6.226
   32    HZ1  LYS   4           3HZ      LYS   4  -7.578  -7.089  -5.453
   33    HZ2  LYS   4           1HZ      LYS   4  -7.102  -5.588  -6.040
   34    HZ3  LYS   4           2HZ      LYS   4  -6.240  -6.342  -4.811
   35    H    PHE   5           H        PHE   5   0.041  -6.038  -5.981
   36    HA   PHE   5           HA       PHE   5   2.170  -4.430  -5.176
   37    HB2  PHE   5           2HB      PHE   5   2.370  -6.822  -5.709
   38    HB3  PHE   5           1HB      PHE   5   2.069  -6.468  -7.404
   39    HD1  PHE   5           1HD      PHE   5   4.403  -5.811  -4.625
   40    HD2  PHE   5           2HD      PHE   5   3.836  -5.923  -8.832
   41    HE1  PHE   5           1HE      PHE   5   6.817  -5.511  -4.952
   42    HE2  PHE   5           2HE      PHE   5   6.250  -5.618  -9.170
   43    HZ   PHE   5           HZ       PHE   5   7.743  -5.415  -7.221
   44    H    GLY   6           H        GLY   6   2.771  -2.550  -5.855
   45    HA2  GLY   6           2HA      GLY   6   3.597  -1.055  -7.442
   46    HA3  GLY   6           1HA      GLY   6   2.797  -1.984  -8.701
   47    H    TRP   7           H        TRP   7   0.595  -1.526  -6.232
   48    HA   TRP   7           HA       TRP   7  -0.724   0.417  -7.867
   49    HB2  TRP   7           2HB      TRP   7  -1.570  -1.009  -5.354
   50    HB3  TRP   7           1HB      TRP   7  -2.508   0.314  -6.052
   51    HD1  TRP   7           HD       TRP   7  -0.835  -2.338  -8.272
   52    HE1  TRP   7           1HE      TRP   7  -2.676  -3.699  -9.454
   53    HE3  TRP   7           3HE      TRP   7  -4.913  -0.438  -5.876
   54    HZ2  TRP   7           2HZ      TRP   7  -5.480  -3.932  -9.374
   55    HZ3  TRP   7           3HZ      TRP   7  -7.138  -1.283  -6.481
   56    HH2  TRP   7           HH       TRP   7  -7.416  -2.990  -8.192
   57    H    LYS   8           H        LYS   8  -1.103   2.440  -7.449
   58    HA   LYS   8           HA       LYS   8   0.815   3.780  -5.795
   59    HB2  LYS   8           2HB      LYS   8  -1.516   4.946  -7.328
   60    HB3  LYS   8           1HB      LYS   8  -0.141   5.836  -6.691
   61    HG2  LYS   8           2HG      LYS   8  -0.040   3.744  -8.861
   62    HG3  LYS   8           1HG      LYS   8   0.071   5.487  -9.088
   63    HD2  LYS   8           2HD      LYS   8   2.153   5.554  -7.852
   64    HD3  LYS   8           1HD      LYS   8   2.003   3.841  -7.464
   65    HE2  LYS   8           2HE      LYS   8   3.588   4.160  -9.280
   66    HE3  LYS   8           1HE      LYS   8   2.167   3.290  -9.857
   67    HZ1  LYS   8           3HZ      LYS   8   2.835   6.143 -10.276
   68    HZ2  LYS   8           1HZ      LYS   8   1.379   5.447 -10.778
   69    HZ3  LYS   8           2HZ      LYS   8   2.847   4.936 -11.417
   70    H    CYS   9           H        CYS   9   0.576   4.440  -3.811
   71    HA   CYS   9           HA       CYS   9  -2.099   4.374  -2.597
   72    HB2  CYS   9           2HB      CYS   9  -1.015   3.274  -0.664
   73    HB3  CYS   9           1HB      CYS   9  -0.977   2.288  -2.126
   74    H    ASN  10           H        ASN  10  -1.896   5.322  -0.324
   75    HA   ASN  10           HA       ASN  10  -0.028   7.571  -0.300
   76    HB2  ASN  10           2HB      ASN  10  -2.772   7.293   0.980
   77    HB3  ASN  10           1HB      ASN  10  -1.676   8.635   1.277
   78   HD21  ASN  10          1HD2      ASN  10  -4.367   8.577   0.135
   79   HD22  ASN  10          2HD2      ASN  10  -4.248   9.323  -1.410
   80    HA   PRO  11           HA       PRO  11   1.889   5.023   2.808
   81    HB2  PRO  11           2HB      PRO  11   3.368   6.999   4.027
   82    HB3  PRO  11           1HB      PRO  11   3.834   6.181   2.532
   83    HG2  PRO  11           2HG      PRO  11   2.441   8.808   2.889
   84    HG3  PRO  11           1HG      PRO  11   3.780   8.398   1.803
   85    HD2  PRO  11           2HD      PRO  11   1.311   8.569   0.874
   86    HD3  PRO  11           1HD      PRO  11   2.379   7.261   0.317
   87    H    ARG  12           H        ARG  12   0.129   7.864   3.586
   88    HA   ARG  12           HA       ARG  12   0.089   7.490   6.419
   89    HB2  ARG  12           2HB      ARG  12  -1.529   9.191   4.579
   90    HB3  ARG  12           1HB      ARG  12  -1.780   9.158   6.317
   91    HG2  ARG  12           2HG      ARG  12   0.563   9.902   6.608
   92    HG3  ARG  12           1HG      ARG  12   0.719   9.993   4.850
   93    HD2  ARG  12           2HD      ARG  12  -1.071  11.620   4.760
   94    HD3  ARG  12           1HD      ARG  12  -1.289  11.475   6.505
   95    HE   ARG  12           HE       ARG  12   1.360  12.211   5.814
   96   HH11  ARG  12          1HH1      ARG  12  -1.906  13.484   6.215
   97   HH12  ARG  12          2HH1      ARG  12  -1.424  15.077   6.583
   98   HH21  ARG  12          1HH2      ARG  12   2.074  14.411   6.354
   99   HH22  ARG  12          2HH2      ARG  12   0.922  15.602   6.672
  100    H    ASN  13           H        ASN  13  -1.830   6.392   3.761
  101    HA   ASN  13           HA       ASN  13  -3.576   4.993   5.639
  102    HB2  ASN  13           2HB      ASN  13  -4.859   6.883   4.651
  103    HB3  ASN  13           1HB      ASN  13  -4.480   6.282   3.045
  104   HD21  ASN  13          1HD2      ASN  13  -6.323   5.728   5.932
  105   HD22  ASN  13          2HD2      ASN  13  -7.427   4.584   5.255
  106    H    ASP  14           H        ASP  14  -2.394   3.191   5.444
  107    HA   ASP  14           HA       ASP  14  -1.661   2.123   2.867
  108    HB2  ASP  14           2HB      ASP  14  -0.244   1.814   4.921
  109    HB3  ASP  14           1HB      ASP  14  -1.510   0.775   5.560
  110    H    LYS  15           H        LYS  15  -2.904   0.943   1.698
  111    HA   LYS  15           HA       LYS  15  -4.910  -0.767   2.965
  112    HB2  LYS  15           2HB      LYS  15  -5.270   0.924   0.491
  113    HB3  LYS  15           1HB      LYS  15  -6.350  -0.385   0.935
  114    HG2  LYS  15           2HG      LYS  15  -5.867   2.166   2.478
  115    HG3  LYS  15           1HG      LYS  15  -7.305   1.756   1.548
  116    HD2  LYS  15           2HD      LYS  15  -6.329   0.325   4.035
  117    HD3  LYS  15           1HD      LYS  15  -7.660   1.464   3.965
  118    HE2  LYS  15           2HE      LYS  15  -7.554  -1.172   2.493
  119    HE3  LYS  15           1HE      LYS  15  -8.391  -0.909   4.016
  120    HZ1  LYS  15           3HZ      LYS  15  -9.837   0.689   2.868
  121    HZ2  LYS  15           1HZ      LYS  15  -9.902  -0.831   2.153
  122    HZ3  LYS  15           2HZ      LYS  15  -9.036   0.382   1.410
  123    H    CYS  16           H        CYS  16  -2.147  -1.203   2.012
  124    HA   CYS  16           HA       CYS  16  -2.469  -2.580  -0.502
  125    HB2  CYS  16           2HB      CYS  16  -0.090  -2.655   1.366
  126    HB3  CYS  16           1HB      CYS  16  -0.114  -3.099  -0.330
  127    H    CYS  17           H        CYS  17  -2.088  -4.818  -0.757
  128    HA   CYS  17           HA       CYS  17  -3.552  -6.462   0.939
  129    HB2  CYS  17           2HB      CYS  17  -1.519  -7.189  -1.162
  130    HB3  CYS  17           1HB      CYS  17  -2.682  -8.314  -0.474
  131    H    SER  18           H        SER  18  -2.655  -8.623   1.839
  132    HA   SER  18           HA       SER  18  -0.932  -8.016   3.977
  133    HB2  SER  18           2HB      SER  18  -1.875 -10.689   2.963
  134    HB3  SER  18           1HB      SER  18  -1.290 -10.330   4.592
  135    HG   SER  18           HG       SER  18  -3.079  -8.736   4.605
  136    H    GLY  19           H        GLY  19   1.258  -8.181   4.080
  137    HA2  GLY  19           2HA      GLY  19   3.369  -9.104   3.616
  138    HA3  GLY  19           1HA      GLY  19   2.659  -9.969   2.254
  139    H    LEU  20           H        LEU  20   1.507  -6.936   2.183
  140    HA   LEU  20           HA       LEU  20   3.590  -5.958   0.370
  141    HB2  LEU  20           2HB      LEU  20   1.220  -6.906  -0.381
  142    HB3  LEU  20           1HB      LEU  20   0.694  -5.323   0.135
  143    HG   LEU  20           HG       LEU  20   2.318  -4.344  -1.493
  144   HD11  LEU  20          1HD1      LEU  20   3.819  -6.216  -1.688
  145   HD12  LEU  20          2HD1      LEU  20   3.073  -5.885  -3.264
  146   HD13  LEU  20          3HD1      LEU  20   2.513  -7.238  -2.278
  147   HD21  LEU  20          3HD2      LEU  20  -0.037  -4.550  -1.999
  148   HD22  LEU  20          1HD2      LEU  20   0.222  -6.215  -2.534
  149   HD23  LEU  20          2HD2      LEU  20   0.963  -4.889  -3.418
  150    H    LYS  21           H        LYS  21   3.851  -3.626   0.591
  151    HA   LYS  21           HA       LYS  21   2.199  -2.314   2.588
  152    HB2  LYS  21           2HB      LYS  21   3.964  -3.283   3.909
  153    HB3  LYS  21           1HB      LYS  21   5.184  -2.567   2.854
  154    HG2  LYS  21           2HG      LYS  21   4.438  -0.333   3.545
  155    HG3  LYS  21           1HG      LYS  21   3.267  -1.076   4.629
  156    HD2  LYS  21           2HD      LYS  21   5.002  -2.020   5.967
  157    HD3  LYS  21           1HD      LYS  21   6.233  -1.548   4.791
  158    HE2  LYS  21           2HE      LYS  21   4.497   0.358   6.353
  159    HE3  LYS  21           1HE      LYS  21   6.168  -0.043   6.744
  160    HZ1  LYS  21           3HZ      LYS  21   6.818   0.842   4.565
  161    HZ2  LYS  21           1HZ      LYS  21   6.073   2.015   5.515
  162    HZ3  LYS  21           2HZ      LYS  21   5.227   1.298   4.252
  163    H    CYS  22           H        CYS  22   2.054  -0.196   2.402
  164    HA   CYS  22           HA       CYS  22   3.050   1.063   0.006
  165    HB2  CYS  22           2HB      CYS  22   0.734   1.447   0.904
  166    HB3  CYS  22           1HB      CYS  22   1.456   2.220   2.311
  167    H    GLY  23           H        GLY  23   4.796   2.359  -0.020
  168    HA2  GLY  23           2HA      GLY  23   6.253   2.541   2.498
  169    HA3  GLY  23           1HA      GLY  23   6.938   2.660   0.885
  170    H    SER  24           H        SER  24   7.738   4.418   2.616
  171    HA   SER  24           HA       SER  24   6.254   6.868   2.108
  172    HB2  SER  24           2HB      SER  24   8.000   7.730   3.763
  173    HB3  SER  24           1HB      SER  24   6.799   6.597   4.400
  174    HG   SER  24           HG       SER  24   9.426   6.383   4.396
  175    H    ASN  25           H        ASN  25   9.131   5.086   1.423
  176    HA   ASN  25           HA       ASN  25  10.543   7.227   0.116
  177    HB2  ASN  25           2HB      ASN  25  11.686   5.322   1.251
  178    HB3  ASN  25           1HB      ASN  25  10.976   4.243   0.060
  179   HD21  ASN  25          1HD2      ASN  25  12.925   3.544  -0.654
  180   HD22  ASN  25          2HD2      ASN  25  13.973   4.521  -1.626
  181    H    HIS  26           H        HIS  26   8.273   4.760  -0.644
  182    HA   HIS  26           HA       HIS  26   8.387   5.499  -3.470
  183    HB2  HIS  26           2HB      HIS  26   7.920   2.738  -2.316
  184    HB3  HIS  26           1HB      HIS  26   7.772   3.157  -4.020
  185    HD1  HIS  26           1HD      HIS  26  10.077   1.671  -1.737
  186    HD2  HIS  26           2HD      HIS  26  10.299   4.316  -4.885
  187    HE1  HIS  26           1HE      HIS  26  12.475   1.587  -2.508
  188    H    ASN  27           H        ASN  27   6.381   5.662  -4.467
  189    HA   ASN  27           HA       ASN  27   4.239   6.292  -2.574
  190    HB2  ASN  27           2HB      ASN  27   4.371   6.872  -5.545
  191    HB3  ASN  27           1HB      ASN  27   3.246   7.549  -4.385
  192   HD21  ASN  27          1HD2      ASN  27   5.453   7.919  -2.397
  193   HD22  ASN  27          2HD2      ASN  27   6.321   9.289  -2.945
  194    H    TRP  28           H        TRP  28   4.896   3.566  -3.389
  195    HA   TRP  28           HA       TRP  28   2.267   2.773  -4.279
  196    HB2  TRP  28           2HB      TRP  28   3.236   1.111  -5.913
  197    HB3  TRP  28           1HB      TRP  28   3.337   2.794  -6.394
  198    HD1  TRP  28           HD       TRP  28   5.946   1.392  -3.993
  199    HE1  TRP  28           1HE      TRP  28   8.215   1.235  -5.215
  200    HE3  TRP  28           3HE      TRP  28   4.413   2.505  -8.699
  201    HZ2  TRP  28           2HZ      TRP  28   9.202   1.510  -7.782
  202    HZ3  TRP  28           3HZ      TRP  28   6.079   2.546 -10.497
  203    HH2  TRP  28           HH       TRP  28   8.432   2.061 -10.056
  204    H    CYS  29           H        CYS  29   1.888   0.508  -4.096
  205    HA   CYS  29           HA       CYS  29   2.780  -0.599  -1.616
  206    HB2  CYS  29           2HB      CYS  29   1.044  -1.605  -3.834
  207    HB3  CYS  29           1HB      CYS  29   1.255  -2.514  -2.370
  208    H    LYS  30           H        LYS  30   4.732  -1.568  -1.491
  209    HA   LYS  30           HA       LYS  30   5.529  -3.407  -3.670
  210    HB2  LYS  30           2HB      LYS  30   7.348  -1.982  -1.704
  211    HB3  LYS  30           1HB      LYS  30   7.877  -3.155  -2.886
  212    HG2  LYS  30           2HG      LYS  30   6.672  -0.470  -3.467
  213    HG3  LYS  30           1HG      LYS  30   8.382  -0.869  -3.539
  214    HD2  LYS  30           2HD      LYS  30   6.224  -2.100  -5.274
  215    HD3  LYS  30           1HD      LYS  30   7.286  -0.788  -5.761
  216    HE2  LYS  30           2HE      LYS  30   8.051  -3.643  -5.146
  217    HE3  LYS  30           1HE      LYS  30   8.097  -2.779  -6.683
  218    HZ1  LYS  30           3HZ      LYS  30   9.863  -1.414  -5.911
  219    HZ2  LYS  30           1HZ      LYS  30  10.282  -3.009  -5.698
  220    HZ3  LYS  30           2HZ      LYS  30   9.840  -2.104  -4.370
  221    H    LEU  31           H        LEU  31   7.314  -4.998  -2.476
  222    HA   LEU  31           HA       LEU  31   5.648  -6.639  -0.849
  223    HB2  LEU  31           2HB      LEU  31   8.592  -6.864  -1.462
  224    HB3  LEU  31           1HB      LEU  31   7.595  -8.119  -0.769
  225    HG   LEU  31           HG       LEU  31   7.354  -7.008  -3.564
  226   HD11  LEU  31          1HD1      LEU  31   8.349  -9.664  -2.562
  227   HD12  LEU  31          2HD1      LEU  31   9.322  -8.379  -3.281
  228   HD13  LEU  31          3HD1      LEU  31   8.116  -9.222  -4.253
  229   HD21  LEU  31          3HD2      LEU  31   5.170  -7.678  -2.725
  230   HD22  LEU  31          1HD2      LEU  31   5.828  -9.232  -2.209
  231   HD23  LEU  31          2HD2      LEU  31   5.748  -8.832  -3.923
  232    H    HIS  32           H        HIS  32   6.003  -7.247   1.292
  233    HA   HIS  32           HA       HIS  32   7.457  -5.258   2.845
  234    HB2  HIS  32           2HB      HIS  32   5.057  -5.728   3.412
  235    HB3  HIS  32           1HB      HIS  32   5.535  -7.379   3.811
  236    HD1  HIS  32           1HD      HIS  32   6.162  -7.749   6.224
  237    HD2  HIS  32           2HD      HIS  32   6.375  -3.759   5.108
  238    HE1  HIS  32           1HE      HIS  32   6.686  -6.463   8.330
  239    H    LEU  33           H        LEU  33   9.452  -5.936   2.575
  240    HA   LEU  33           HA       LEU  33  10.271  -8.359   3.915
  241    HB2  LEU  33           2HB      LEU  33   9.968  -8.977   1.525
  242    HB3  LEU  33           1HB      LEU  33  11.051  -7.683   1.064
  243    HG   LEU  33           HG       LEU  33  12.906  -8.849   2.219
  244   HD11  LEU  33          1HD1      LEU  33  10.878 -11.033   2.634
  245   HD12  LEU  33          2HD1      LEU  33  11.639 -10.055   3.892
  246   HD13  LEU  33          3HD1      LEU  33  12.611 -11.166   2.930
  247   HD21  LEU  33          3HD2      LEU  33  11.434 -10.519   0.184
  248   HD22  LEU  33          1HD2      LEU  33  13.143 -10.662   0.594
  249   HD23  LEU  33          2HD2      LEU  33  12.539  -9.191  -0.169
  Start of MODEL   17
    1    H1   ASP   1           1HT      ASP   1 -10.674  -3.096  -3.667
    2    H2   ASP   1           2HT      ASP   1 -11.144  -2.936  -2.061
    3    H3   ASP   1           3HT      ASP   1 -11.996  -3.985  -3.075
    4    HA   ASP   1           HA       ASP   1 -10.516  -5.159  -1.555
    5    HB2  ASP   1           2HB      ASP   1 -10.927  -5.902  -4.022
    6    HB3  ASP   1           1HB      ASP   1  -9.320  -5.260  -4.340
    7    H    CYS   2           H        CYS   2  -7.902  -5.755  -1.835
    8    HA   CYS   2           HA       CYS   2  -6.744  -3.390  -0.676
    9    HB2  CYS   2           2HB      CYS   2  -4.795  -4.887  -0.270
   10    HB3  CYS   2           1HB      CYS   2  -6.296  -5.478   0.424
   11    H    LEU   3           H        LEU   3  -4.774  -2.449  -1.344
   12    HA   LEU   3           HA       LEU   3  -4.510  -2.188  -4.178
   13    HB2  LEU   3           2HB      LEU   3  -2.653  -1.198  -2.019
   14    HB3  LEU   3           1HB      LEU   3  -2.704  -0.679  -3.683
   15    HG   LEU   3           HG       LEU   3  -4.878  -0.250  -1.682
   16   HD11  LEU   3          1HD1      LEU   3  -2.817   1.618  -2.843
   17   HD12  LEU   3          2HD1      LEU   3  -2.847   1.010  -1.189
   18   HD13  LEU   3          3HD1      LEU   3  -4.126   2.084  -1.759
   19   HD21  LEU   3          3HD2      LEU   3  -5.795   1.265  -3.375
   20   HD22  LEU   3          1HD2      LEU   3  -5.695  -0.395  -3.974
   21   HD23  LEU   3          2HD2      LEU   3  -4.495   0.800  -4.472
   22    H    LYS   4           H        LYS   4  -3.007  -3.083  -5.414
   23    HA   LYS   4           HA       LYS   4  -1.629  -5.330  -4.177
   24    HB2  LYS   4           2HB      LYS   4  -2.454  -4.944  -7.050
   25    HB3  LYS   4           1HB      LYS   4  -1.809  -6.434  -6.352
   26    HG2  LYS   4           2HG      LYS   4  -3.687  -6.481  -4.769
   27    HG3  LYS   4           1HG      LYS   4  -4.349  -5.049  -5.529
   28    HD2  LYS   4           2HD      LYS   4  -4.591  -6.359  -7.623
   29    HD3  LYS   4           1HD      LYS   4  -4.047  -7.793  -6.738
   30    HE2  LYS   4           2HE      LYS   4  -6.488  -6.112  -6.153
   31    HE3  LYS   4           1HE      LYS   4  -6.454  -7.782  -6.717
   32    HZ1  LYS   4           3HZ      LYS   4  -6.892  -7.505  -4.283
   33    HZ2  LYS   4           1HZ      LYS   4  -5.348  -6.894  -4.108
   34    HZ3  LYS   4           2HZ      LYS   4  -5.551  -8.486  -4.608
   35    H    PHE   5           H        PHE   5   0.287  -6.047  -5.761
   36    HA   PHE   5           HA       PHE   5   2.322  -4.275  -5.104
   37    HB2  PHE   5           2HB      PHE   5   2.584  -6.727  -5.398
   38    HB3  PHE   5           1HB      PHE   5   2.422  -6.510  -7.133
   39    HD1  PHE   5           2HD      PHE   5   4.456  -5.098  -4.330
   40    HD2  PHE   5           1HD      PHE   5   4.386  -6.532  -8.331
   41    HE1  PHE   5           2HE      PHE   5   6.884  -4.784  -4.480
   42    HE2  PHE   5           1HE      PHE   5   6.818  -6.219  -8.481
   43    HZ   PHE   5           HZ       PHE   5   8.068  -5.344  -6.553
   44    H    GLY   6           H        GLY   6   2.909  -2.472  -5.939
   45    HA2  GLY   6           2HA      GLY   6   3.731  -1.131  -7.689
   46    HA3  GLY   6           1HA      GLY   6   2.822  -2.108  -8.833
   47    H    TRP   7           H        TRP   7   0.645  -1.593  -6.439
   48    HA   TRP   7           HA       TRP   7  -0.637   0.384  -8.050
   49    HB2  TRP   7           2HB      TRP   7  -1.471  -0.996  -5.496
   50    HB3  TRP   7           1HB      TRP   7  -2.439   0.278  -6.220
   51    HD1  TRP   7           HD       TRP   7  -0.746  -2.439  -8.308
   52    HE1  TRP   7           1HE      TRP   7  -2.590  -3.931  -9.390
   53    HE3  TRP   7           3HE      TRP   7  -4.829  -0.452  -6.029
   54    HZ2  TRP   7           2HZ      TRP   7  -5.382  -4.182  -9.278
   55    HZ3  TRP   7           3HZ      TRP   7  -7.050  -1.358  -6.557
   56    HH2  TRP   7           HH       TRP   7  -7.319  -3.178  -8.146
   57    H    LYS   8           H        LYS   8  -1.081   2.531  -7.395
   58    HA   LYS   8           HA       LYS   8   0.861   3.553  -5.576
   59    HB2  LYS   8           2HB      LYS   8   0.142   5.775  -6.189
   60    HB3  LYS   8           1HB      LYS   8   0.248   4.814  -7.643
   61    HG2  LYS   8           2HG      LYS   8  -1.681   5.979  -8.025
   62    HG3  LYS   8           1HG      LYS   8  -2.343   4.542  -7.250
   63    HD2  LYS   8           2HD      LYS   8  -2.392   5.715  -5.099
   64    HD3  LYS   8           1HD      LYS   8  -1.706   7.149  -5.859
   65    HE2  LYS   8           2HE      LYS   8  -4.082   7.418  -5.601
   66    HE3  LYS   8           1HE      LYS   8  -3.677   7.297  -7.311
   67    HZ1  LYS   8           3HZ      LYS   8  -5.632   5.967  -6.767
   68    HZ2  LYS   8           1HZ      LYS   8  -4.754   5.093  -5.635
   69    HZ3  LYS   8           2HZ      LYS   8  -4.383   4.967  -7.265
   70    H    CYS   9           H        CYS   9   0.594   4.354  -3.603
   71    HA   CYS   9           HA       CYS   9  -1.911   3.541  -2.296
   72    HB2  CYS   9           2HB      CYS   9  -0.433   3.093  -0.329
   73    HB3  CYS   9           1HB      CYS   9  -0.111   2.062  -1.724
   74    H    ASN  10           H        ASN  10  -1.563   4.591   0.144
   75    HA   ASN  10           HA       ASN  10  -1.071   7.431  -0.256
   76    HB2  ASN  10           2HB      ASN  10  -3.248   6.077   1.357
   77    HB3  ASN  10           1HB      ASN  10  -2.800   7.749   1.635
   78   HD21  ASN  10          1HD2      ASN  10  -5.305   6.632   0.773
   79   HD22  ASN  10          2HD2      ASN  10  -5.695   7.364  -0.735
   80    HA   PRO  11           HA       PRO  11   2.235   6.463   2.499
   81    HB2  PRO  11           2HB      PRO  11   2.702   9.046   3.364
   82    HB3  PRO  11           1HB      PRO  11   3.359   8.336   1.890
   83    HG2  PRO  11           2HG      PRO  11   0.965  10.079   2.261
   84    HG3  PRO  11           1HG      PRO  11   2.184  10.111   0.976
   85    HD2  PRO  11           2HD      PRO  11  -0.217   9.058   0.564
   86    HD3  PRO  11           1HD      PRO  11   1.228   8.296  -0.134
   87    H    ARG  12           H        ARG  12  -0.569   8.167   3.640
   88    HA   ARG  12           HA       ARG  12   0.262   7.800   6.415
   89    HB2  ARG  12           2HB      ARG  12  -2.098   9.196   5.237
   90    HB3  ARG  12           1HB      ARG  12  -1.697   9.130   6.943
   91    HG2  ARG  12           2HG      ARG  12   0.404  10.295   6.523
   92    HG3  ARG  12           1HG      ARG  12   0.090  10.269   4.790
   93    HD2  ARG  12           2HD      ARG  12  -2.002  11.566   5.298
   94    HD3  ARG  12           1HD      ARG  12  -1.346  11.767   6.930
   95    HE   ARG  12           HE       ARG  12   0.692  12.623   5.583
   96   HH11  ARG  12          1HH1      ARG  12  -2.710  13.412   5.131
   97   HH12  ARG  12          2HH1      ARG  12  -2.472  14.801   4.208
   98   HH21  ARG  12          1HH2      ARG  12   1.100  14.553   4.314
   99   HH22  ARG  12          2HH2      ARG  12  -0.186  15.483   3.704
  100    H    ASN  13           H        ASN  13  -1.960   6.558   4.116
  101    HA   ASN  13           HA       ASN  13  -3.007   4.706   6.145
  102    HB2  ASN  13           2HB      ASN  13  -4.826   6.279   5.691
  103    HB3  ASN  13           1HB      ASN  13  -4.665   5.997   3.960
  104   HD21  ASN  13          1HD2      ASN  13  -5.748   4.643   6.976
  105   HD22  ASN  13          2HD2      ASN  13  -6.628   3.322   6.291
  106    H    ASP  14           H        ASP  14  -2.343   2.809   5.692
  107    HA   ASP  14           HA       ASP  14  -1.579   2.092   2.970
  108    HB2  ASP  14           2HB      ASP  14  -0.088   1.640   4.898
  109    HB3  ASP  14           1HB      ASP  14  -1.292   0.541   5.533
  110    H    LYS  15           H        LYS  15  -2.948   1.056   1.725
  111    HA   LYS  15           HA       LYS  15  -4.823  -0.820   2.949
  112    HB2  LYS  15           2HB      LYS  15  -5.275   1.091   0.676
  113    HB3  LYS  15           1HB      LYS  15  -6.227  -0.379   0.818
  114    HG2  LYS  15           2HG      LYS  15  -6.040   1.822   2.864
  115    HG3  LYS  15           1HG      LYS  15  -7.410   1.497   1.793
  116    HD2  LYS  15           2HD      LYS  15  -7.642  -0.747   2.830
  117    HD3  LYS  15           1HD      LYS  15  -6.322  -0.347   3.923
  118    HE2  LYS  15           2HE      LYS  15  -8.357  -0.038   5.059
  119    HE3  LYS  15           1HE      LYS  15  -7.595   1.525   4.760
  120    HZ1  LYS  15           3HZ      LYS  15  -9.137   1.893   2.921
  121    HZ2  LYS  15           1HZ      LYS  15  -9.956   1.607   4.358
  122    HZ3  LYS  15           2HZ      LYS  15  -9.880   0.398   3.203
  123    H    CYS  16           H        CYS  16  -2.081  -1.167   1.903
  124    HA   CYS  16           HA       CYS  16  -2.402  -2.520  -0.601
  125    HB2  CYS  16           2HB      CYS  16  -0.044  -2.611   1.301
  126    HB3  CYS  16           1HB      CYS  16  -0.032  -3.072  -0.385
  127    H    CYS  17           H        CYS  17  -2.001  -4.788  -0.862
  128    HA   CYS  17           HA       CYS  17  -3.595  -6.396   0.767
  129    HB2  CYS  17           2HB      CYS  17  -1.519  -7.217  -1.258
  130    HB3  CYS  17           1HB      CYS  17  -2.746  -8.286  -0.588
  131    H    SER  18           H        SER  18  -2.923  -8.512   1.752
  132    HA   SER  18           HA       SER  18  -1.229  -8.095   3.927
  133    HB2  SER  18           2HB      SER  18  -2.287 -10.672   2.776
  134    HB3  SER  18           1HB      SER  18  -1.743 -10.413   4.437
  135    HG   SER  18           HG       SER  18  -4.078 -10.282   3.918
  136    H    GLY  19           H        GLY  19   0.916  -8.183   4.006
  137    HA2  GLY  19           2HA      GLY  19   3.043  -9.166   3.679
  138    HA3  GLY  19           1HA      GLY  19   2.402 -10.045   2.292
  139    H    LEU  20           H        LEU  20   1.334  -6.929   2.245
  140    HA   LEU  20           HA       LEU  20   3.487  -5.998   0.484
  141    HB2  LEU  20           2HB      LEU  20   1.116  -6.862  -0.343
  142    HB3  LEU  20           1HB      LEU  20   0.618  -5.280   0.190
  143    HG   LEU  20           HG       LEU  20   2.321  -4.326  -1.390
  144   HD11  LEU  20          1HD1      LEU  20   2.356  -7.204  -2.264
  145   HD12  LEU  20          2HD1      LEU  20   3.708  -6.297  -1.587
  146   HD13  LEU  20          3HD1      LEU  20   3.050  -5.861  -3.173
  147   HD21  LEU  20          3HD2      LEU  20   0.160  -6.079  -2.504
  148   HD22  LEU  20          1HD2      LEU  20   0.918  -4.718  -3.319
  149   HD23  LEU  20          2HD2      LEU  20  -0.064  -4.447  -1.878
  150    H    LYS  21           H        LYS  21   3.836  -3.701   0.750
  151    HA   LYS  21           HA       LYS  21   2.084  -2.253   2.512
  152    HB2  LYS  21           2HB      LYS  21   3.607  -3.296   4.080
  153    HB3  LYS  21           1HB      LYS  21   4.990  -2.647   3.209
  154    HG2  LYS  21           2HG      LYS  21   4.407  -0.392   3.803
  155    HG3  LYS  21           1HG      LYS  21   2.888  -0.928   4.509
  156    HD2  LYS  21           2HD      LYS  21   5.600  -1.745   5.538
  157    HD3  LYS  21           1HD      LYS  21   4.694  -0.365   6.155
  158    HE2  LYS  21           2HE      LYS  21   2.830  -1.901   6.725
  159    HE3  LYS  21           1HE      LYS  21   3.822  -3.257   6.194
  160    HZ1  LYS  21           3HZ      LYS  21   5.441  -2.675   7.912
  161    HZ2  LYS  21           1HZ      LYS  21   3.935  -2.990   8.593
  162    HZ3  LYS  21           2HZ      LYS  21   4.476  -1.404   8.414
  163    H    CYS  22           H        CYS  22   2.107  -0.178   2.252
  164    HA   CYS  22           HA       CYS  22   2.969   0.968  -0.167
  165    HB2  CYS  22           2HB      CYS  22   0.985   1.729   1.010
  166    HB3  CYS  22           1HB      CYS  22   1.949   2.184   2.403
  167    H    GLY  23           H        GLY  23   4.713   2.134  -0.664
  168    HA2  GLY  23           2HA      GLY  23   7.037   2.035   0.938
  169    HA3  GLY  23           1HA      GLY  23   6.849   2.980  -0.527
  170    H    SER  24           H        SER  24   8.185   3.695   1.922
  171    HA   SER  24           HA       SER  24   6.543   5.725   3.121
  172    HB2  SER  24           2HB      SER  24   8.804   6.119   4.335
  173    HB3  SER  24           1HB      SER  24   7.923   4.621   4.659
  174    HG   SER  24           HG       SER  24   9.807   3.828   4.184
  175    H    ASN  25           H        ASN  25   9.531   5.545   1.241
  176    HA   ASN  25           HA       ASN  25   9.520   8.403   0.742
  177    HB2  ASN  25           2HB      ASN  25  11.693   7.311   1.024
  178    HB3  ASN  25           1HB      ASN  25  11.340   6.208  -0.299
  179   HD21  ASN  25          1HD2      ASN  25  12.314   9.441   0.554
  180   HD22  ASN  25          2HD2      ASN  25  12.761   9.931  -1.028
  181    H    HIS  26           H        HIS  26   8.774   5.444  -0.879
  182    HA   HIS  26           HA       HIS  26   8.105   6.825  -3.347
  183    HB2  HIS  26           2HB      HIS  26   8.154   3.886  -2.618
  184    HB3  HIS  26           1HB      HIS  26   7.573   4.466  -4.162
  185    HD1  HIS  26           1HD      HIS  26   9.321   4.575  -5.985
  186    HD2  HIS  26           2HD      HIS  26  10.856   4.664  -2.161
  187    HE1  HIS  26           1HE      HIS  26  11.811   4.452  -6.269
  188    H    ASN  27           H        ASN  27   5.948   5.745  -4.340
  189    HA   ASN  27           HA       ASN  27   3.864   6.156  -2.313
  190    HB2  ASN  27           2HB      ASN  27   4.237   8.175  -3.749
  191    HB3  ASN  27           1HB      ASN  27   3.816   7.206  -5.151
  192   HD21  ASN  27          1HD2      ASN  27   2.237   7.062  -1.979
  193   HD22  ASN  27          2HD2      ASN  27   0.700   7.582  -2.550
  194    H    TRP  28           H        TRP  28   4.946   3.694  -3.408
  195    HA   TRP  28           HA       TRP  28   2.427   2.701  -4.466
  196    HB2  TRP  28           2HB      TRP  28   3.714   1.046  -5.884
  197    HB3  TRP  28           1HB      TRP  28   3.716   2.714  -6.432
  198    HD1  TRP  28           HD       TRP  28   6.118   1.660  -3.662
  199    HE1  TRP  28           1HE      TRP  28   8.512   1.693  -4.575
  200    HE3  TRP  28           3HE      TRP  28   5.102   2.435  -8.594
  201    HZ2  TRP  28           2HZ      TRP  28   9.784   1.959  -6.974
  202    HZ3  TRP  28           3HZ      TRP  28   6.995   2.559 -10.157
  203    HH2  TRP  28           HH       TRP  28   9.285   2.335  -9.381
  204    H    CYS  29           H        CYS  29   2.020   0.523  -4.199
  205    HA   CYS  29           HA       CYS  29   2.773  -0.549  -1.657
  206    HB2  CYS  29           2HB      CYS  29   1.109  -1.501  -3.945
  207    HB3  CYS  29           1HB      CYS  29   1.270  -2.489  -2.531
  208    H    LYS  30           H        LYS  30   4.657  -1.553  -1.374
  209    HA   LYS  30           HA       LYS  30   5.742  -3.255  -3.522
  210    HB2  LYS  30           2HB      LYS  30   7.184  -1.845  -1.254
  211    HB3  LYS  30           1HB      LYS  30   7.949  -2.942  -2.385
  212    HG2  LYS  30           2HG      LYS  30   6.611  -0.360  -3.185
  213    HG3  LYS  30           1HG      LYS  30   8.329  -0.508  -2.862
  214    HD2  LYS  30           2HD      LYS  30   6.855  -2.076  -4.980
  215    HD3  LYS  30           1HD      LYS  30   7.717  -0.568  -5.269
  216    HE2  LYS  30           2HE      LYS  30   9.775  -1.679  -4.358
  217    HE3  LYS  30           1HE      LYS  30   8.854  -3.180  -4.323
  218    HZ1  LYS  30           3HZ      LYS  30   9.545  -1.589  -6.733
  219    HZ2  LYS  30           1HZ      LYS  30   8.519  -2.929  -6.747
  220    HZ3  LYS  30           2HZ      LYS  30  10.124  -3.094  -6.302
  221    H    LEU  31           H        LEU  31   7.259  -5.023  -2.309
  222    HA   LEU  31           HA       LEU  31   5.445  -6.593  -0.766
  223    HB2  LEU  31           2HB      LEU  31   8.414  -6.938  -1.191
  224    HB3  LEU  31           1HB      LEU  31   7.352  -8.125  -0.474
  225    HG   LEU  31           HG       LEU  31   7.273  -7.182  -3.343
  226   HD11  LEU  31          1HD1      LEU  31   8.145  -9.783  -2.107
  227   HD12  LEU  31          2HD1      LEU  31   9.188  -8.581  -2.868
  228   HD13  LEU  31          3HD1      LEU  31   8.005  -9.465  -3.833
  229   HD21  LEU  31          3HD2      LEU  31   5.632  -9.288  -1.929
  230   HD22  LEU  31          1HD2      LEU  31   5.636  -8.984  -3.667
  231   HD23  LEU  31          2HD2      LEU  31   5.036  -7.752  -2.564
  232    H    HIS  32           H        HIS  32   5.504  -7.107   1.416
  233    HA   HIS  32           HA       HIS  32   6.801  -5.086   3.006
  234    HB2  HIS  32           2HB      HIS  32   4.462  -5.791   3.537
  235    HB3  HIS  32           1HB      HIS  32   5.083  -7.392   3.947
  236    HD1  HIS  32           1HD      HIS  32   4.507  -7.325   6.486
  237    HD2  HIS  32           2HD      HIS  32   6.757  -4.073   5.194
  238    HE1  HIS  32           1HE      HIS  32   5.171  -6.079   8.545
  239    H    LEU  33           H        LEU  33   8.815  -5.524   2.669
  240    HA   LEU  33           HA       LEU  33  10.016  -7.588   4.278
  241    HB2  LEU  33           2HB      LEU  33   9.813  -8.588   2.014
  242    HB3  LEU  33           1HB      LEU  33  10.620  -7.196   1.332
  243    HG   LEU  33           HG       LEU  33  12.687  -7.816   2.529
  244   HD11  LEU  33          1HD1      LEU  33  11.720  -8.964   4.436
  245   HD12  LEU  33          2HD1      LEU  33  12.858 -10.015   3.593
  246   HD13  LEU  33          3HD1      LEU  33  11.123 -10.247   3.382
  247   HD21  LEU  33          3HD2      LEU  33  13.222  -9.777   1.176
  248   HD22  LEU  33          1HD2      LEU  33  12.313  -8.589   0.245
  249   HD23  LEU  33          2HD2      LEU  33  11.507 -10.032   0.857
  Start of MODEL   18
    1    H1   ASP   1           1HT      ASP   1 -11.221  -2.430  -0.409
    2    H2   ASP   1           2HT      ASP   1 -10.796  -3.508   0.811
    3    H3   ASP   1           3HT      ASP   1 -12.107  -3.866  -0.202
    4    HA   ASP   1           HA       ASP   1 -10.188  -5.130  -0.801
    5    HB2  ASP   1           2HB      ASP   1 -10.004  -4.484  -3.167
    6    HB3  ASP   1           1HB      ASP   1 -11.678  -4.395  -2.629
    7    H    CYS   2           H        CYS   2  -8.023  -5.247  -1.135
    8    HA   CYS   2           HA       CYS   2  -6.555  -2.962  -0.154
    9    HB2  CYS   2           2HB      CYS   2  -4.678  -4.590   0.006
   10    HB3  CYS   2           1HB      CYS   2  -6.103  -5.016   0.947
   11    H    LEU   3           H        LEU   3  -4.468  -2.454  -1.132
   12    HA   LEU   3           HA       LEU   3  -4.684  -2.181  -4.005
   13    HB2  LEU   3           2HB      LEU   3  -2.529  -1.223  -2.122
   14    HB3  LEU   3           1HB      LEU   3  -2.758  -0.736  -3.785
   15    HG   LEU   3           HG       LEU   3  -4.672  -0.170  -1.554
   16   HD11  LEU   3          1HD1      LEU   3  -2.578   1.039  -1.256
   17   HD12  LEU   3          2HD1      LEU   3  -3.851   2.153  -1.760
   18   HD13  LEU   3          3HD1      LEU   3  -2.647   1.604  -2.924
   19   HD21  LEU   3          3HD2      LEU   3  -5.664  -0.332  -3.805
   20   HD22  LEU   3          1HD2      LEU   3  -4.556   0.920  -4.356
   21   HD23  LEU   3          2HD2      LEU   3  -5.774   1.286  -3.121
   22    H    LYS   4           H        LYS   4  -3.249  -3.053  -5.405
   23    HA   LYS   4           HA       LYS   4  -1.943  -5.464  -4.465
   24    HB2  LYS   4           2HB      LYS   4  -2.692  -4.485  -7.205
   25    HB3  LYS   4           1HB      LYS   4  -1.878  -6.009  -6.896
   26    HG2  LYS   4           2HG      LYS   4  -3.760  -6.827  -5.646
   27    HG3  LYS   4           1HG      LYS   4  -4.558  -5.259  -5.761
   28    HD2  LYS   4           2HD      LYS   4  -4.743  -5.491  -8.154
   29    HD3  LYS   4           1HD      LYS   4  -3.840  -7.005  -8.103
   30    HE2  LYS   4           2HE      LYS   4  -5.594  -8.046  -6.809
   31    HE3  LYS   4           1HE      LYS   4  -6.469  -6.519  -6.723
   32    HZ1  LYS   4           3HZ      LYS   4  -6.862  -6.586  -9.034
   33    HZ2  LYS   4           1HZ      LYS   4  -7.332  -8.073  -8.425
   34    HZ3  LYS   4           2HZ      LYS   4  -5.873  -7.905  -9.282
   35    H    PHE   5           H        PHE   5   0.040  -6.001  -6.031
   36    HA   PHE   5           HA       PHE   5   2.078  -4.299  -5.091
   37    HB2  PHE   5           2HB      PHE   5   2.403  -6.705  -5.376
   38    HB3  PHE   5           1HB      PHE   5   2.184  -6.544  -7.111
   39    HD1  PHE   5           2HD      PHE   5   4.291  -5.009  -4.432
   40    HD2  PHE   5           1HD      PHE   5   4.092  -6.614  -8.360
   41    HE1  PHE   5           2HE      PHE   5   6.712  -4.673  -4.690
   42    HE2  PHE   5           1HE      PHE   5   6.507  -6.274  -8.616
   43    HZ   PHE   5           HZ       PHE   5   7.816  -5.302  -6.776
   44    H    GLY   6           H        GLY   6   2.852  -2.518  -5.904
   45    HA2  GLY   6           2HA      GLY   6   3.714  -1.170  -7.599
   46    HA3  GLY   6           1HA      GLY   6   2.798  -2.098  -8.781
   47    H    TRP   7           H        TRP   7   0.646  -1.515  -6.352
   48    HA   TRP   7           HA       TRP   7  -0.528   0.587  -7.923
   49    HB2  TRP   7           2HB      TRP   7  -1.517  -0.901  -5.491
   50    HB3  TRP   7           1HB      TRP   7  -2.375   0.469  -6.199
   51    HD1  TRP   7           HD       TRP   7  -0.748  -2.157  -8.449
   52    HE1  TRP   7           1HE      TRP   7  -2.591  -3.471  -9.678
   53    HE3  TRP   7           3HE      TRP   7  -4.810  -0.279  -6.013
   54    HZ2  TRP   7           2HZ      TRP   7  -5.418  -3.673  -9.609
   55    HZ3  TRP   7           3HZ      TRP   7  -7.044  -1.075  -6.640
   56    HH2  TRP   7           HH       TRP   7  -7.344  -2.734  -8.402
   57    H    LYS   8           H        LYS   8  -0.796   2.674  -7.268
   58    HA   LYS   8           HA       LYS   8   1.137   3.688  -5.445
   59    HB2  LYS   8           2HB      LYS   8   0.273   4.903  -7.490
   60    HB3  LYS   8           1HB      LYS   8  -1.228   5.179  -6.624
   61    HG2  LYS   8           2HG      LYS   8   1.433   6.164  -5.602
   62    HG3  LYS   8           1HG      LYS   8   0.484   7.109  -6.728
   63    HD2  LYS   8           2HD      LYS   8  -0.453   6.191  -4.000
   64    HD3  LYS   8           1HD      LYS   8   0.219   7.782  -4.345
   65    HE2  LYS   8           2HE      LYS   8  -1.622   8.239  -5.875
   66    HE3  LYS   8           1HE      LYS   8  -2.277   6.630  -5.596
   67    HZ1  LYS   8           3HZ      LYS   8  -1.956   8.695  -3.484
   68    HZ2  LYS   8           1HZ      LYS   8  -2.732   7.206  -3.318
   69    HZ3  LYS   8           2HZ      LYS   8  -3.376   8.387  -4.320
   70    H    CYS   9           H        CYS   9   0.945   4.121  -3.390
   71    HA   CYS   9           HA       CYS   9  -1.638   3.535  -2.124
   72    HB2  CYS   9           2HB      CYS   9  -0.298   2.927  -0.125
   73    HB3  CYS   9           1HB      CYS   9   0.020   1.892  -1.515
   74    H    ASN  10           H        ASN  10  -2.198   4.763  -0.300
   75    HA   ASN  10           HA       ASN  10  -1.273   7.498  -0.411
   76    HB2  ASN  10           2HB      ASN  10  -3.425   6.097   1.194
   77    HB3  ASN  10           1HB      ASN  10  -3.055   7.801   1.369
   78   HD21  ASN  10          1HD2      ASN  10  -5.461   6.372   0.526
   79   HD22  ASN  10          2HD2      ASN  10  -5.901   7.035  -1.009
   80    HA   PRO  11           HA       PRO  11   1.721   6.457   2.761
   81    HB2  PRO  11           2HB      PRO  11   2.263   9.069   3.517
   82    HB3  PRO  11           1HB      PRO  11   3.043   8.231   2.175
   83    HG2  PRO  11           2HG      PRO  11   0.759  10.156   2.134
   84    HG3  PRO  11           1HG      PRO  11   2.120  10.011   1.010
   85    HD2  PRO  11           2HD      PRO  11  -0.309   9.082   0.391
   86    HD3  PRO  11           1HD      PRO  11   1.154   8.223  -0.122
   87    H    ARG  12           H        ARG  12  -1.078   8.454   3.231
   88    HA   ARG  12           HA       ARG  12  -0.918   8.456   6.099
   89    HB2  ARG  12           2HB      ARG  12  -3.103   9.262   4.219
   90    HB3  ARG  12           1HB      ARG  12  -3.227   9.369   5.966
   91    HG2  ARG  12           2HG      ARG  12  -1.311  10.868   6.011
   92    HG3  ARG  12           1HG      ARG  12  -1.195  10.767   4.254
   93    HD2  ARG  12           2HD      ARG  12  -3.445  11.691   4.067
   94    HD3  ARG  12           1HD      ARG  12  -3.531  11.796   5.827
   95    HE   ARG  12           HE       ARG  12  -1.299  13.148   5.264
   96   HH11  ARG  12          1HH1      ARG  12  -4.593  13.426   4.033
   97   HH12  ARG  12          2HH1      ARG  12  -4.517  15.092   3.731
   98   HH21  ARG  12          1HH2      ARG  12  -1.168  15.477   4.850
   99   HH22  ARG  12          2HH2      ARG  12  -2.518  16.280   4.208
  100    H    ASN  13           H        ASN  13  -2.468   6.521   3.662
  101    HA   ASN  13           HA       ASN  13  -3.362   4.759   5.760
  102    HB2  ASN  13           2HB      ASN  13  -5.542   4.333   4.565
  103    HB3  ASN  13           1HB      ASN  13  -5.386   5.913   5.317
  104   HD21  ASN  13          1HD2      ASN  13  -5.346   7.712   4.041
  105   HD22  ASN  13          2HD2      ASN  13  -5.775   7.722   2.383
  106    H    ASP  14           H        ASP  14  -2.016   3.189   5.462
  107    HA   ASP  14           HA       ASP  14  -1.210   2.244   2.886
  108    HB2  ASP  14           2HB      ASP  14   0.131   1.910   5.002
  109    HB3  ASP  14           1HB      ASP  14  -1.083   0.748   5.516
  110    H    LYS  15           H        LYS  15  -2.560   1.299   1.622
  111    HA   LYS  15           HA       LYS  15  -4.690  -0.365   2.768
  112    HB2  LYS  15           2HB      LYS  15  -4.620   1.292   0.262
  113    HB3  LYS  15           1HB      LYS  15  -5.873   0.113   0.615
  114    HG2  LYS  15           2HG      LYS  15  -5.215   2.536   2.290
  115    HG3  LYS  15           1HG      LYS  15  -6.564   2.406   1.164
  116    HD2  LYS  15           2HD      LYS  15  -6.221   0.526   3.522
  117    HD3  LYS  15           1HD      LYS  15  -7.072   2.049   3.630
  118    HE2  LYS  15           2HE      LYS  15  -8.524   0.095   3.326
  119    HE3  LYS  15           1HE      LYS  15  -8.752   1.316   2.073
  120    HZ1  LYS  15           3HZ      LYS  15  -8.811  -0.953   1.241
  121    HZ2  LYS  15           1HZ      LYS  15  -7.258  -1.254   1.797
  122    HZ3  LYS  15           2HZ      LYS  15  -7.558  -0.131   0.542
  123    H    CYS  16           H        CYS  16  -1.855  -1.054   1.918
  124    HA   CYS  16           HA       CYS  16  -2.239  -2.507  -0.513
  125    HB2  CYS  16           2HB      CYS  16   0.062  -2.664   1.438
  126    HB3  CYS  16           1HB      CYS  16   0.062  -3.240  -0.217
  127    H    CYS  17           H        CYS  17  -1.961  -4.813  -0.691
  128    HA   CYS  17           HA       CYS  17  -3.621  -6.280   1.076
  129    HB2  CYS  17           2HB      CYS  17  -1.797  -7.246  -1.122
  130    HB3  CYS  17           1HB      CYS  17  -3.032  -8.212  -0.328
  131    H    SER  18           H        SER  18  -2.846  -8.597   1.831
  132    HA   SER  18           HA       SER  18  -1.011  -8.312   3.867
  133    HB2  SER  18           2HB      SER  18  -1.276 -10.830   3.947
  134    HB3  SER  18           1HB      SER  18  -2.768  -9.880   3.993
  135    HG   SER  18           HG       SER  18  -2.610 -11.763   2.539
  136    H    GLY  19           H        GLY  19   1.159  -8.591   3.994
  137    HA2  GLY  19           2HA      GLY  19   3.288  -9.244   3.421
  138    HA3  GLY  19           1HA      GLY  19   2.617 -10.175   2.084
  139    H    LEU  20           H        LEU  20   1.584  -6.945   2.277
  140    HA   LEU  20           HA       LEU  20   3.531  -6.038   0.316
  141    HB2  LEU  20           2HB      LEU  20   1.189  -6.967  -0.428
  142    HB3  LEU  20           1HB      LEU  20   0.607  -5.454   0.216
  143    HG   LEU  20           HG       LEU  20   2.109  -4.278  -1.368
  144   HD11  LEU  20          1HD1      LEU  20   2.907  -5.703  -3.264
  145   HD12  LEU  20          2HD1      LEU  20   2.534  -7.112  -2.237
  146   HD13  LEU  20          3HD1      LEU  20   3.733  -5.932  -1.723
  147   HD21  LEU  20          3HD2      LEU  20   0.133  -6.218  -2.536
  148   HD22  LEU  20          1HD2      LEU  20   0.740  -4.761  -3.316
  149   HD23  LEU  20          2HD2      LEU  20  -0.247  -4.633  -1.857
  150    H    LYS  21           H        LYS  21   3.902  -3.768   0.631
  151    HA   LYS  21           HA       LYS  21   2.296  -2.427   2.640
  152    HB2  LYS  21           2HB      LYS  21   4.048  -3.513   3.949
  153    HB3  LYS  21           1HB      LYS  21   5.287  -2.768   2.945
  154    HG2  LYS  21           2HG      LYS  21   4.738  -0.594   3.764
  155    HG3  LYS  21           1HG      LYS  21   3.325  -1.197   4.611
  156    HD2  LYS  21           2HD      LYS  21   4.843  -2.552   6.048
  157    HD3  LYS  21           1HD      LYS  21   6.216  -1.809   5.221
  158    HE2  LYS  21           2HE      LYS  21   5.520   0.386   5.971
  159    HE3  LYS  21           1HE      LYS  21   4.083  -0.297   6.729
  160    HZ1  LYS  21           3HZ      LYS  21   5.789   0.132   8.352
  161    HZ2  LYS  21           1HZ      LYS  21   6.895  -0.830   7.499
  162    HZ3  LYS  21           2HZ      LYS  21   5.536  -1.535   8.220
  163    H    CYS  22           H        CYS  22   2.393  -0.235   2.580
  164    HA   CYS  22           HA       CYS  22   2.907   0.970   0.082
  165    HB2  CYS  22           2HB      CYS  22   1.203   1.728   1.755
  166    HB3  CYS  22           1HB      CYS  22   2.514   2.254   2.799
  167    H    GLY  23           H        GLY  23   4.733   1.928  -0.647
  168    HA2  GLY  23           2HA      GLY  23   7.097   1.683   0.964
  169    HA3  GLY  23           1HA      GLY  23   7.040   2.196  -0.713
  170    H    SER  24           H        SER  24   8.489   3.286   1.534
  171    HA   SER  24           HA       SER  24   7.259   5.857   1.968
  172    HB2  SER  24           2HB      SER  24   9.525   6.156   3.247
  173    HB3  SER  24           1HB      SER  24   8.285   5.099   3.920
  174    HG   SER  24           HG       SER  24  10.791   4.488   3.056
  175    H    ASN  25           H        ASN  25   9.929   4.421   0.235
  176    HA   ASN  25           HA       ASN  25  11.159   6.796  -0.745
  177    HB2  ASN  25           2HB      ASN  25  11.076   4.033  -1.996
  178    HB3  ASN  25           1HB      ASN  25  12.180   5.326  -2.444
  179   HD21  ASN  25          1HD2      ASN  25  13.937   5.727  -1.167
  180   HD22  ASN  25          2HD2      ASN  25  14.409   4.705   0.143
  181    H    HIS  26           H        HIS  26   8.926   4.513  -2.177
  182    HA   HIS  26           HA       HIS  26   7.862   6.601  -3.918
  183    HB2  HIS  26           2HB      HIS  26   8.458   3.703  -4.502
  184    HB3  HIS  26           1HB      HIS  26   7.345   4.603  -5.492
  185    HD1  HIS  26           1HD      HIS  26   8.387   5.965  -7.363
  186    HD2  HIS  26           2HD      HIS  26  11.065   4.577  -4.559
  187    HE1  HIS  26           1HE      HIS  26  10.673   6.499  -8.304
  188    H    ASN  27           H        ASN  27   5.730   6.816  -3.583
  189    HA   ASN  27           HA       ASN  27   4.593   5.110  -1.598
  190    HB2  ASN  27           2HB      ASN  27   3.433   7.542  -2.966
  191    HB3  ASN  27           1HB      ASN  27   2.538   6.572  -1.809
  192   HD21  ASN  27          1HD2      ASN  27   4.984   6.140  -0.106
  193   HD22  ASN  27          2HD2      ASN  27   5.219   7.649   0.674
  194    H    TRP  28           H        TRP  28   4.862   3.316  -2.942
  195    HA   TRP  28           HA       TRP  28   2.277   2.690  -3.987
  196    HB2  TRP  28           2HB      TRP  28   3.250   1.322  -5.852
  197    HB3  TRP  28           1HB      TRP  28   3.396   3.049  -6.079
  198    HD1  TRP  28           HD       TRP  28   5.946   1.165  -3.924
  199    HE1  TRP  28           1HE      TRP  28   8.212   1.120  -5.148
  200    HE3  TRP  28           3HE      TRP  28   4.513   3.161  -8.396
  201    HZ2  TRP  28           2HZ      TRP  28   9.215   1.768  -7.564
  202    HZ3  TRP  28           3HZ      TRP  28   6.222   3.421 -10.148
  203    HH2  TRP  28           HH       TRP  28   8.535   2.749  -9.755
  204    H    CYS  29           H        CYS  29   1.936   0.457  -4.064
  205    HA   CYS  29           HA       CYS  29   2.772  -0.767  -1.644
  206    HB2  CYS  29           2HB      CYS  29   1.130  -1.687  -3.961
  207    HB3  CYS  29           1HB      CYS  29   1.350  -2.693  -2.555
  208    H    LYS  30           H        LYS  30   4.698  -1.616  -1.408
  209    HA   LYS  30           HA       LYS  30   5.908  -3.135  -3.616
  210    HB2  LYS  30           2HB      LYS  30   7.247  -2.026  -1.128
  211    HB3  LYS  30           1HB      LYS  30   8.045  -2.870  -2.440
  212    HG2  LYS  30           2HG      LYS  30   7.446  -0.965  -3.959
  213    HG3  LYS  30           1HG      LYS  30   6.756  -0.147  -2.556
  214    HD2  LYS  30           2HD      LYS  30   8.957   0.707  -2.907
  215    HD3  LYS  30           1HD      LYS  30   9.000  -0.307  -1.465
  216    HE2  LYS  30           2HE      LYS  30   9.918  -2.163  -2.801
  217    HE3  LYS  30           1HE      LYS  30   9.857  -1.143  -4.236
  218    HZ1  LYS  30           3HZ      LYS  30  11.448   0.369  -3.098
  219    HZ2  LYS  30           1HZ      LYS  30  12.049  -1.183  -3.366
  220    HZ3  LYS  30           2HZ      LYS  30  11.548  -0.748  -1.831
  221    H    LEU  31           H        LEU  31   7.240  -5.056  -2.721
  222    HA   LEU  31           HA       LEU  31   5.476  -6.709  -1.196
  223    HB2  LEU  31           2HB      LEU  31   8.347  -7.159  -2.031
  224    HB3  LEU  31           1HB      LEU  31   7.297  -8.373  -1.340
  225    HG   LEU  31           HG       LEU  31   6.881  -7.029  -4.016
  226   HD11  LEU  31          1HD1      LEU  31   8.803  -8.513  -4.031
  227   HD12  LEU  31          2HD1      LEU  31   7.469  -9.203  -4.956
  228   HD13  LEU  31          3HD1      LEU  31   7.827  -9.807  -3.339
  229   HD21  LEU  31          3HD2      LEU  31   4.765  -7.683  -3.000
  230   HD22  LEU  31          1HD2      LEU  31   5.396  -9.301  -2.690
  231   HD23  LEU  31          2HD2      LEU  31   5.159  -8.749  -4.346
  232    H    HIS  32           H        HIS  32   5.694  -7.423   0.896
  233    HA   HIS  32           HA       HIS  32   7.232  -5.681   2.618
  234    HB2  HIS  32           2HB      HIS  32   4.861  -6.494   3.090
  235    HB3  HIS  32           1HB      HIS  32   5.570  -8.072   3.402
  236    HD1  HIS  32           1HD      HIS  32   6.390  -8.471   5.798
  237    HD2  HIS  32           2HD      HIS  32   5.684  -4.467   4.948
  238    HE1  HIS  32           1HE      HIS  32   6.548  -7.253   7.990
  239    H    LEU  33           H        LEU  33   9.064  -6.564   1.394
  240    HA   LEU  33           HA       LEU  33  10.377  -8.710   2.886
  241    HB2  LEU  33           2HB      LEU  33  10.469  -8.306  -0.119
  242    HB3  LEU  33           1HB      LEU  33  11.475  -9.428   0.767
  243    HG   LEU  33           HG       LEU  33   8.465  -9.615   0.536
  244   HD11  LEU  33          1HD1      LEU  33  10.637 -11.182  -0.848
  245   HD12  LEU  33          2HD1      LEU  33   9.558 -10.008  -1.603
  246   HD13  LEU  33          3HD1      LEU  33   8.907 -11.509  -0.945
  247   HD21  LEU  33          3HD2      LEU  33   8.779 -11.862   1.474
  248   HD22  LEU  33          1HD2      LEU  33   9.317 -10.614   2.597
  249   HD23  LEU  33          2HD2      LEU  33  10.501 -11.538   1.672
  Start of MODEL   19
    1    H1   ASP   1           1HT      ASP   1 -11.525  -4.863  -1.286
    2    H2   ASP   1           2HT      ASP   1 -12.206  -5.999  -2.330
    3    H3   ASP   1           3HT      ASP   1 -11.476  -4.596  -2.940
    4    HA   ASP   1           HA       ASP   1 -10.077  -6.704  -1.465
    5    HB2  ASP   1           2HB      ASP   1  -8.983  -7.237  -3.608
    6    HB3  ASP   1           1HB      ASP   1 -10.724  -7.404  -3.774
    7    H    CYS   2           H        CYS   2  -7.774  -6.358  -1.449
    8    HA   CYS   2           HA       CYS   2  -7.279  -3.604  -0.794
    9    HB2  CYS   2           2HB      CYS   2  -5.039  -4.674  -0.058
   10    HB3  CYS   2           1HB      CYS   2  -6.500  -5.070   0.840
   11    H    LEU   3           H        LEU   3  -5.125  -2.630  -1.417
   12    HA   LEU   3           HA       LEU   3  -4.984  -2.464  -4.266
   13    HB2  LEU   3           2HB      LEU   3  -3.046  -1.409  -2.201
   14    HB3  LEU   3           1HB      LEU   3  -3.134  -0.931  -3.878
   15    HG   LEU   3           HG       LEU   3  -5.298  -0.433  -1.844
   16   HD11  LEU   3          1HD1      LEU   3  -4.548   1.903  -1.946
   17   HD12  LEU   3          2HD1      LEU   3  -3.216   1.425  -2.998
   18   HD13  LEU   3          3HD1      LEU   3  -3.279   0.841  -1.335
   19   HD21  LEU   3          3HD2      LEU   3  -6.073  -0.599  -4.177
   20   HD22  LEU   3          1HD2      LEU   3  -4.921   0.661  -4.618
   21   HD23  LEU   3          2HD2      LEU   3  -6.248   1.028  -3.515
   22    H    LYS   4           H        LYS   4  -3.346  -3.169  -5.588
   23    HA   LYS   4           HA       LYS   4  -2.193  -5.654  -4.619
   24    HB2  LYS   4           2HB      LYS   4  -2.571  -4.682  -7.447
   25    HB3  LYS   4           1HB      LYS   4  -2.166  -6.323  -6.959
   26    HG2  LYS   4           2HG      LYS   4  -4.322  -6.517  -5.805
   27    HG3  LYS   4           1HG      LYS   4  -4.727  -4.875  -6.290
   28    HD2  LYS   4           2HD      LYS   4  -4.496  -5.639  -8.670
   29    HD3  LYS   4           1HD      LYS   4  -4.371  -7.289  -8.063
   30    HE2  LYS   4           2HE      LYS   4  -6.693  -5.388  -7.684
   31    HE3  LYS   4           1HE      LYS   4  -6.651  -6.812  -8.715
   32    HZ1  LYS   4           3HZ      LYS   4  -7.798  -6.998  -6.498
   33    HZ2  LYS   4           1HZ      LYS   4  -6.308  -6.970  -5.768
   34    HZ3  LYS   4           2HZ      LYS   4  -6.699  -8.239  -6.810
   35    H    PHE   5           H        PHE   5  -0.168  -6.219  -6.140
   36    HA   PHE   5           HA       PHE   5   1.926  -4.727  -5.055
   37    HB2  PHE   5           2HB      PHE   5   2.143  -7.095  -5.548
   38    HB3  PHE   5           1HB      PHE   5   1.912  -6.788  -7.262
   39    HD1  PHE   5           1HD      PHE   5   4.122  -5.662  -4.487
   40    HD2  PHE   5           2HD      PHE   5   3.785  -6.783  -8.569
   41    HE1  PHE   5           1HE      PHE   5   6.558  -5.425  -4.749
   42    HE2  PHE   5           2HE      PHE   5   6.210  -6.551  -8.843
   43    HZ   PHE   5           HZ       PHE   5   7.603  -5.876  -6.931
   44    H    GLY   6           H        GLY   6   2.702  -2.839  -5.652
   45    HA2  GLY   6           2HA      GLY   6   3.733  -1.370  -7.108
   46    HA3  GLY   6           1HA      GLY   6   3.113  -2.303  -8.465
   47    H    TRP   7           H        TRP   7   0.883  -1.469  -5.992
   48    HA   TRP   7           HA       TRP   7  -0.337   0.375  -7.857
   49    HB2  TRP   7           2HB      TRP   7  -1.386  -1.135  -5.488
   50    HB3  TRP   7           1HB      TRP   7  -2.272   0.242  -6.137
   51    HD1  TRP   7           HD       TRP   7  -0.460  -2.346  -8.368
   52    HE1  TRP   7           1HE      TRP   7  -2.221  -3.516  -9.826
   53    HE3  TRP   7           3HE      TRP   7  -4.662  -0.383  -6.269
   54    HZ2  TRP   7           2HZ      TRP   7  -5.025  -3.593 -10.056
   55    HZ3  TRP   7           3HZ      TRP   7  -6.833  -1.039  -7.153
   56    HH2  TRP   7           HH       TRP   7  -7.027  -2.620  -9.009
   57    H    LYS   8           H        LYS   8  -1.294   2.310  -7.105
   58    HA   LYS   8           HA       LYS   8   0.583   3.968  -5.749
   59    HB2  LYS   8           2HB      LYS   8  -0.814   4.765  -7.622
   60    HB3  LYS   8           1HB      LYS   8  -2.251   4.484  -6.658
   61    HG2  LYS   8           2HG      LYS   8  -1.754   6.848  -6.729
   62    HG3  LYS   8           1HG      LYS   8  -1.536   6.236  -5.092
   63    HD2  LYS   8           2HD      LYS   8   0.260   7.759  -5.649
   64    HD3  LYS   8           1HD      LYS   8   0.900   6.127  -5.488
   65    HE2  LYS   8           2HE      LYS   8   0.907   5.892  -7.925
   66    HE3  LYS   8           1HE      LYS   8   0.237   7.512  -8.090
   67    HZ1  LYS   8           3HZ      LYS   8   2.581   7.535  -8.449
   68    HZ2  LYS   8           1HZ      LYS   8   2.894   6.800  -6.971
   69    HZ3  LYS   8           2HZ      LYS   8   2.268   8.367  -7.015
   70    H    CYS   9           H        CYS   9   0.564   4.632  -3.681
   71    HA   CYS   9           HA       CYS   9  -1.624   3.650  -1.981
   72    HB2  CYS   9           2HB      CYS   9   0.112   3.175  -0.292
   73    HB3  CYS   9           1HB      CYS   9   0.249   2.180  -1.742
   74    H    ASN  10           H        ASN  10  -1.330   4.616   0.278
   75    HA   ASN  10           HA       ASN  10  -0.453   7.403   0.229
   76    HB2  ASN  10           2HB      ASN  10  -3.033   6.315   1.416
   77    HB3  ASN  10           1HB      ASN  10  -2.381   7.898   1.800
   78   HD21  ASN  10          1HD2      ASN  10  -4.929   7.202   0.607
   79   HD22  ASN  10          2HD2      ASN  10  -4.981   7.976  -0.926
   80    HA   PRO  11           HA       PRO  11   1.724   5.517   3.663
   81    HB2  PRO  11           2HB      PRO  11   2.935   7.826   4.561
   82    HB3  PRO  11           1HB      PRO  11   3.565   6.810   3.265
   83    HG2  PRO  11           2HG      PRO  11   2.050   9.365   3.102
   84    HG3  PRO  11           1HG      PRO  11   3.355   8.760   2.076
   85    HD2  PRO  11           2HD      PRO  11   0.736   8.726   1.349
   86    HD3  PRO  11           1HD      PRO  11   1.912   7.546   0.748
   87    H    ARG  12           H        ARG  12  -0.508   8.140   3.826
   88    HA   ARG  12           HA       ARG  12  -0.642   8.260   6.672
   89    HB2  ARG  12           2HB      ARG  12  -2.476   9.334   4.545
   90    HB3  ARG  12           1HB      ARG  12  -2.789   9.525   6.257
   91    HG2  ARG  12           2HG      ARG  12  -1.783  11.556   5.600
   92    HG3  ARG  12           1HG      ARG  12  -0.492  10.617   6.361
   93    HD2  ARG  12           2HD      ARG  12   0.244   9.898   4.119
   94    HD3  ARG  12           1HD      ARG  12  -0.959  10.976   3.415
   95    HE   ARG  12           HE       ARG  12   0.622  12.412   5.208
   96   HH11  ARG  12          1HH1      ARG  12   0.733  11.057   1.935
   97   HH12  ARG  12          2HH1      ARG  12   2.108  11.926   1.482
   98   HH21  ARG  12          1HH2      ARG  12   2.465  13.607   4.579
   99   HH22  ARG  12          2HH2      ARG  12   3.136  13.412   3.014
  100    H    ASN  13           H        ASN  13  -2.208   6.426   4.194
  101    HA   ASN  13           HA       ASN  13  -3.370   4.726   6.190
  102    HB2  ASN  13           2HB      ASN  13  -5.117   6.495   5.872
  103    HB3  ASN  13           1HB      ASN  13  -5.205   6.044   4.172
  104   HD21  ASN  13          1HD2      ASN  13  -6.264   4.152   3.609
  105   HD22  ASN  13          2HD2      ASN  13  -7.190   3.244   4.745
  106    H    ASP  14           H        ASP  14  -2.473   2.963   5.493
  107    HA   ASP  14           HA       ASP  14  -1.908   2.454   2.715
  108    HB2  ASP  14           2HB      ASP  14  -0.407   1.866   4.644
  109    HB3  ASP  14           1HB      ASP  14  -1.579   0.643   5.105
  110    H    LYS  15           H        LYS  15  -3.061   1.089   1.403
  111    HA   LYS  15           HA       LYS  15  -5.256  -0.464   2.623
  112    HB2  LYS  15           2HB      LYS  15  -5.332   1.094   0.036
  113    HB3  LYS  15           1HB      LYS  15  -6.588  -0.017   0.548
  114    HG2  LYS  15           2HG      LYS  15  -5.760   2.497   1.993
  115    HG3  LYS  15           1HG      LYS  15  -7.175   2.322   0.959
  116    HD2  LYS  15           2HD      LYS  15  -6.688   0.719   3.476
  117    HD3  LYS  15           1HD      LYS  15  -7.662   2.176   3.388
  118    HE2  LYS  15           2HE      LYS  15  -9.199   1.102   1.854
  119    HE3  LYS  15           1HE      LYS  15  -8.201  -0.349   1.822
  120    HZ1  LYS  15           3HZ      LYS  15  -8.620  -0.669   4.146
  121    HZ2  LYS  15           1HZ      LYS  15 -10.083  -0.575   3.323
  122    HZ3  LYS  15           2HZ      LYS  15  -9.545   0.736   4.240
  123    H    CYS  16           H        CYS  16  -2.459  -1.089   1.655
  124    HA   CYS  16           HA       CYS  16  -3.061  -2.762  -0.601
  125    HB2  CYS  16           2HB      CYS  16  -0.474  -2.070   0.753
  126    HB3  CYS  16           1HB      CYS  16  -0.571  -3.243  -0.545
  127    H    CYS  17           H        CYS  17  -2.304  -4.906  -0.690
  128    HA   CYS  17           HA       CYS  17  -3.661  -6.479   1.205
  129    HB2  CYS  17           2HB      CYS  17  -1.792  -7.256  -1.001
  130    HB3  CYS  17           1HB      CYS  17  -2.828  -8.384  -0.119
  131    H    SER  18           H        SER  18  -2.704  -8.549   2.175
  132    HA   SER  18           HA       SER  18  -0.841  -7.830   4.138
  133    HB2  SER  18           2HB      SER  18  -1.839 -10.566   3.329
  134    HB3  SER  18           1HB      SER  18  -1.117 -10.132   4.883
  135    HG   SER  18           HG       SER  18  -2.847  -8.902   5.366
  136    H    GLY  19           H        GLY  19   1.300  -7.909   4.102
  137    HA2  GLY  19           2HA      GLY  19   3.420  -8.822   3.612
  138    HA3  GLY  19           1HA      GLY  19   2.712  -9.686   2.247
  139    H    LEU  20           H        LEU  20   1.363  -6.772   2.049
  140    HA   LEU  20           HA       LEU  20   3.441  -5.648   0.347
  141    HB2  LEU  20           2HB      LEU  20   1.392  -6.719  -0.705
  142    HB3  LEU  20           1HB      LEU  20   0.464  -5.474   0.106
  143    HG   LEU  20           HG       LEU  20   1.702  -3.778  -1.102
  144   HD11  LEU  20          1HD1      LEU  20   3.060  -4.492  -3.030
  145   HD12  LEU  20          2HD1      LEU  20   2.862  -6.173  -2.472
  146   HD13  LEU  20          3HD1      LEU  20   3.720  -5.010  -1.474
  147   HD21  LEU  20          3HD2      LEU  20   0.621  -4.154  -3.221
  148   HD22  LEU  20          1HD2      LEU  20  -0.450  -4.660  -1.919
  149   HD23  LEU  20          2HD2      LEU  20   0.442  -5.862  -2.850
  150    H    LYS  21           H        LYS  21   3.742  -3.430   0.647
  151    HA   LYS  21           HA       LYS  21   1.863  -1.989   2.286
  152    HB2  LYS  21           2HB      LYS  21   3.418  -3.093   3.902
  153    HB3  LYS  21           1HB      LYS  21   4.759  -2.275   3.121
  154    HG2  LYS  21           2HG      LYS  21   3.880  -0.128   3.817
  155    HG3  LYS  21           1HG      LYS  21   2.481  -0.921   4.544
  156    HD2  LYS  21           2HD      LYS  21   3.955  -2.116   6.083
  157    HD3  LYS  21           1HD      LYS  21   5.357  -1.347   5.347
  158    HE2  LYS  21           2HE      LYS  21   4.741  -0.254   7.431
  159    HE3  LYS  21           1HE      LYS  21   4.549   0.841   6.064
  160    HZ1  LYS  21           3HZ      LYS  21   2.201   0.508   6.125
  161    HZ2  LYS  21           1HZ      LYS  21   2.716   0.947   7.653
  162    HZ3  LYS  21           2HZ      LYS  21   2.310  -0.658   7.354
  163    H    CYS  22           H        CYS  22   2.138   0.238   2.084
  164    HA   CYS  22           HA       CYS  22   3.139   1.232  -0.340
  165    HB2  CYS  22           2HB      CYS  22   1.396   2.315   1.120
  166    HB3  CYS  22           1HB      CYS  22   2.671   2.732   2.251
  167    H    GLY  23           H        GLY  23   5.199   1.563  -0.937
  168    HA2  GLY  23           2HA      GLY  23   7.320   0.971   0.871
  169    HA3  GLY  23           1HA      GLY  23   7.511   1.467  -0.793
  170    H    SER  24           H        SER  24   8.869   2.205   1.673
  171    HA   SER  24           HA       SER  24   8.210   4.945   2.157
  172    HB2  SER  24           2HB      SER  24  10.397   4.757   3.513
  173    HB3  SER  24           1HB      SER  24   9.017   3.796   4.045
  174    HG   SER  24           HG       SER  24  10.313   2.215   3.905
  175    H    ASN  25           H        ASN  25   9.234   6.713   1.372
  176    HA   ASN  25           HA       ASN  25  10.416   8.063   0.010
  177    HB2  ASN  25           2HB      ASN  25  12.352   5.734  -0.194
  178    HB3  ASN  25           1HB      ASN  25  12.636   7.305  -0.930
  179   HD21  ASN  25          1HD2      ASN  25  13.142   9.030   0.378
  180   HD22  ASN  25          2HD2      ASN  25  13.606   8.845   2.026
  181    H    HIS  26           H        HIS  26   8.427   6.090  -0.815
  182    HA   HIS  26           HA       HIS  26   8.642   6.429  -3.669
  183    HB2  HIS  26           2HB      HIS  26   8.187   3.722  -2.328
  184    HB3  HIS  26           1HB      HIS  26   7.887   4.053  -4.026
  185    HD1  HIS  26           1HD      HIS  26  10.685   3.455  -1.567
  186    HD2  HIS  26           2HD      HIS  26  10.085   4.230  -5.583
  187    HE1  HIS  26           1HE      HIS  26  12.887   2.990  -2.676
  188    H    ASN  27           H        ASN  27   6.378   5.710  -4.538
  189    HA   ASN  27           HA       ASN  27   4.377   6.367  -2.488
  190    HB2  ASN  27           2HB      ASN  27   5.021   8.336  -3.966
  191    HB3  ASN  27           1HB      ASN  27   4.324   7.452  -5.312
  192   HD21  ASN  27          1HD2      ASN  27   3.022   7.523  -2.011
  193   HD22  ASN  27          2HD2      ASN  27   1.587   8.358  -2.443
  194    H    TRP  28           H        TRP  28   5.262   3.887  -3.646
  195    HA   TRP  28           HA       TRP  28   2.690   2.959  -4.615
  196    HB2  TRP  28           2HB      TRP  28   3.884   1.358  -6.171
  197    HB3  TRP  28           1HB      TRP  28   3.910   3.039  -6.639
  198    HD1  TRP  28           HD       TRP  28   6.399   1.388  -4.157
  199    HE1  TRP  28           1HE      TRP  28   8.775   1.584  -5.153
  200    HE3  TRP  28           3HE      TRP  28   5.217   3.401  -8.669
  201    HZ2  TRP  28           2HZ      TRP  28   9.953   2.435  -7.478
  202    HZ3  TRP  28           3HZ      TRP  28   7.048   3.884 -10.261
  203    HH2  TRP  28           HH       TRP  28   9.371   3.413  -9.677
  204    H    CYS  29           H        CYS  29   2.415   0.714  -4.318
  205    HA   CYS  29           HA       CYS  29   3.574  -0.156  -1.820
  206    HB2  CYS  29           2HB      CYS  29   1.296  -1.118  -3.457
  207    HB3  CYS  29           1HB      CYS  29   1.943  -2.139  -2.200
  208    H    LYS  30           H        LYS  30   5.230  -1.294  -1.622
  209    HA   LYS  30           HA       LYS  30   5.832  -3.320  -3.655
  210    HB2  LYS  30           2HB      LYS  30   7.780  -1.716  -1.980
  211    HB3  LYS  30           1HB      LYS  30   8.241  -3.143  -2.894
  212    HG2  LYS  30           2HG      LYS  30   7.195  -0.544  -4.000
  213    HG3  LYS  30           1HG      LYS  30   8.843  -1.151  -4.136
  214    HD2  LYS  30           2HD      LYS  30   7.897  -3.131  -5.383
  215    HD3  LYS  30           1HD      LYS  30   6.346  -2.297  -5.388
  216    HE2  LYS  30           2HE      LYS  30   7.432  -1.881  -7.484
  217    HE3  LYS  30           1HE      LYS  30   7.427  -0.393  -6.545
  218    HZ1  LYS  30           3HZ      LYS  30   9.583  -0.768  -7.584
  219    HZ2  LYS  30           1HZ      LYS  30   9.734  -2.245  -6.799
  220    HZ3  LYS  30           2HZ      LYS  30   9.737  -0.846  -5.910
  221    H    LEU  31           H        LEU  31   7.165  -5.156  -2.684
  222    HA   LEU  31           HA       LEU  31   5.531  -6.364  -0.726
  223    HB2  LEU  31           2HB      LEU  31   8.281  -7.154  -1.681
  224    HB3  LEU  31           1HB      LEU  31   7.182  -8.179  -0.783
  225    HG   LEU  31           HG       LEU  31   6.706  -7.126  -3.573
  226   HD11  LEU  31          1HD1      LEU  31   7.438  -9.868  -2.603
  227   HD12  LEU  31          2HD1      LEU  31   8.486  -8.766  -3.495
  228   HD13  LEU  31          3HD1      LEU  31   7.043  -9.431  -4.264
  229   HD21  LEU  31          3HD2      LEU  31   4.825  -8.691  -3.596
  230   HD22  LEU  31          1HD2      LEU  31   4.624  -7.456  -2.354
  231   HD23  LEU  31          2HD2      LEU  31   5.138  -9.083  -1.906
  232    H    HIS  32           H        HIS  32   5.750  -6.529   1.438
  233    HA   HIS  32           HA       HIS  32   7.950  -4.999   2.616
  234    HB2  HIS  32           2HB      HIS  32   5.522  -4.395   3.171
  235    HB3  HIS  32           1HB      HIS  32   5.413  -5.945   3.991
  236    HD1  HIS  32           1HD      HIS  32   6.409  -6.060   6.393
  237    HD2  HIS  32           2HD      HIS  32   7.227  -2.502   4.413
  238    HE1  HIS  32           1HE      HIS  32   7.392  -4.512   8.112
  239    H    LEU  33           H        LEU  33   9.210  -5.989   4.201
  240    HA   LEU  33           HA       LEU  33   8.979  -8.901   4.218
  241    HB2  LEU  33           2HB      LEU  33  10.997  -8.008   3.118
  242    HB3  LEU  33           1HB      LEU  33  11.431  -7.184   4.598
  243    HG   LEU  33           HG       LEU  33  11.762  -9.346   5.717
  244   HD11  LEU  33          1HD1      LEU  33  11.757 -11.405   4.390
  245   HD12  LEU  33          2HD1      LEU  33  11.081 -10.515   3.025
  246   HD13  LEU  33          3HD1      LEU  33  10.153 -10.690   4.514
  247   HD21  LEU  33          3HD2      LEU  33  13.630  -8.267   4.581
  248   HD22  LEU  33          1HD2      LEU  33  13.210  -9.103   3.089
  249   HD23  LEU  33          2HD2      LEU  33  13.758 -10.026   4.488
  Start of MODEL   20
    1    H1   ASP   1           1HT      ASP   1 -11.369  -2.885  -1.435
    2    H2   ASP   1           2HT      ASP   1 -10.993  -3.573   0.046
    3    H3   ASP   1           3HT      ASP   1 -12.208  -4.273  -0.908
    4    HA   ASP   1           HA       ASP   1 -10.197  -5.531  -0.993
    5    HB2  ASP   1           2HB      ASP   1  -9.760  -5.475  -3.445
    6    HB3  ASP   1           1HB      ASP   1 -11.478  -5.478  -3.076
    7    H    CYS   2           H        CYS   2  -8.039  -5.655  -1.124
    8    HA   CYS   2           HA       CYS   2  -6.679  -3.329  -0.253
    9    HB2  CYS   2           2HB      CYS   2  -4.742  -4.878  -0.115
   10    HB3  CYS   2           1HB      CYS   2  -6.168  -5.427   0.757
   11    H    LEU   3           H        LEU   3  -4.835  -2.413  -1.168
   12    HA   LEU   3           HA       LEU   3  -4.923  -2.153  -4.015
   13    HB2  LEU   3           2HB      LEU   3  -2.874  -1.102  -2.070
   14    HB3  LEU   3           1HB      LEU   3  -3.103  -0.573  -3.720
   15    HG   LEU   3           HG       LEU   3  -5.085  -0.216  -1.496
   16   HD11  LEU   3          1HD1      LEU   3  -4.431   2.162  -1.605
   17   HD12  LEU   3          2HD1      LEU   3  -3.191   1.754  -2.792
   18   HD13  LEU   3          3HD1      LEU   3  -3.079   1.127  -1.146
   19   HD21  LEU   3          3HD2      LEU   3  -5.028   0.933  -4.275
   20   HD22  LEU   3          1HD2      LEU   3  -6.247   1.256  -3.048
   21   HD23  LEU   3          2HD2      LEU   3  -6.091  -0.366  -3.738
   22    H    LYS   4           H        LYS   4  -3.212  -2.705  -5.400
   23    HA   LYS   4           HA       LYS   4  -2.004  -5.235  -4.585
   24    HB2  LYS   4           2HB      LYS   4  -2.582  -4.106  -7.308
   25    HB3  LYS   4           1HB      LYS   4  -1.936  -5.707  -7.007
   26    HG2  LYS   4           2HG      LYS   4  -3.983  -6.279  -5.771
   27    HG3  LYS   4           1HG      LYS   4  -4.622  -4.675  -6.131
   28    HD2  LYS   4           2HD      LYS   4  -4.439  -5.175  -8.534
   29    HD3  LYS   4           1HD      LYS   4  -3.868  -6.796  -8.120
   30    HE2  LYS   4           2HE      LYS   4  -5.985  -7.188  -6.909
   31    HE3  LYS   4           1HE      LYS   4  -6.527  -5.598  -7.429
   32    HZ1  LYS   4           3HZ      LYS   4  -5.784  -7.757  -9.318
   33    HZ2  LYS   4           1HZ      LYS   4  -6.497  -6.287  -9.694
   34    HZ3  LYS   4           2HZ      LYS   4  -7.352  -7.452  -8.825
   35    H    PHE   5           H        PHE   5  -0.051  -5.665  -6.323
   36    HA   PHE   5           HA       PHE   5   2.104  -4.175  -5.292
   37    HB2  PHE   5           2HB      PHE   5   2.295  -6.534  -6.034
   38    HB3  PHE   5           1HB      PHE   5   2.057  -6.012  -7.696
   39    HD1  PHE   5           1HD      PHE   5   4.346  -5.986  -4.847
   40    HD2  PHE   5           2HD      PHE   5   3.848  -4.986  -8.944
   41    HE1  PHE   5           1HE      PHE   5   6.758  -5.640  -5.047
   42    HE2  PHE   5           2HE      PHE   5   6.275  -4.636  -9.161
   43    HZ   PHE   5           HZ       PHE   5   7.738  -4.961  -7.207
   44    H    GLY   6           H        GLY   6   3.021  -2.413  -5.954
   45    HA2  GLY   6           2HA      GLY   6   3.786  -0.796  -7.421
   46    HA3  GLY   6           1HA      GLY   6   2.883  -1.575  -8.714
   47    H    TRP   7           H        TRP   7   0.723  -1.322  -6.256
   48    HA   TRP   7           HA       TRP   7  -0.512   0.819  -7.668
   49    HB2  TRP   7           2HB      TRP   7  -1.459  -0.920  -5.402
   50    HB3  TRP   7           1HB      TRP   7  -2.374   0.499  -5.900
   51    HD1  TRP   7           HD       TRP   7  -0.665  -1.840  -8.447
   52    HE1  TRP   7           1HE      TRP   7  -2.477  -2.968  -9.878
   53    HE3  TRP   7           3HE      TRP   7  -4.809  -0.197  -5.948
   54    HZ2  TRP   7           2HZ      TRP   7  -5.295  -3.141  -9.939
   55    HZ3  TRP   7           3HZ      TRP   7  -7.026  -0.892  -6.755
   56    HH2  TRP   7           HH       TRP   7  -7.263  -2.333  -8.709
   57    H    LYS   8           H        LYS   8  -1.101   2.759  -6.897
   58    HA   LYS   8           HA       LYS   8   0.918   3.841  -5.175
   59    HB2  LYS   8           2HB      LYS   8  -1.388   5.278  -6.495
   60    HB3  LYS   8           1HB      LYS   8   0.070   6.006  -5.827
   61    HG2  LYS   8           2HG      LYS   8  -0.092   4.194  -8.231
   62    HG3  LYS   8           1HG      LYS   8   0.234   5.927  -8.247
   63    HD2  LYS   8           2HD      LYS   8   2.346   5.559  -7.093
   64    HD3  LYS   8           1HD      LYS   8   1.987   3.844  -6.927
   65    HE2  LYS   8           2HE      LYS   8   2.388   5.307  -9.543
   66    HE3  LYS   8           1HE      LYS   8   3.570   4.273  -8.746
   67    HZ1  LYS   8           3HZ      LYS   8   2.431   3.099 -10.509
   68    HZ2  LYS   8           1HZ      LYS   8   0.932   3.384  -9.815
   69    HZ3  LYS   8           2HZ      LYS   8   2.042   2.379  -9.045
   70    H    CYS   9           H        CYS   9   0.764   4.026  -3.171
   71    HA   CYS   9           HA       CYS   9  -1.633   3.175  -1.819
   72    HB2  CYS   9           2HB      CYS   9  -0.271   3.104   0.127
   73    HB3  CYS   9           1HB      CYS   9   0.702   2.493  -1.213
   74    H    ASN  10           H        ASN  10  -2.306   4.386   0.153
   75    HA   ASN  10           HA       ASN  10  -2.428   7.245  -0.320
   76    HB2  ASN  10           2HB      ASN  10  -3.752   5.523   1.818
   77    HB3  ASN  10           1HB      ASN  10  -4.112   7.212   1.498
   78   HD21  ASN  10          1HD2      ASN  10  -5.817   4.846   1.478
   79   HD22  ASN  10          2HD2      ASN  10  -6.530   4.776  -0.086
   80    HA   PRO  11           HA       PRO  11   1.303   7.283   2.158
   81    HB2  PRO  11           2HB      PRO  11   1.179  10.006   2.767
   82    HB3  PRO  11           1HB      PRO  11   1.990   9.292   1.372
   83    HG2  PRO  11           2HG      PRO  11  -0.690  10.563   1.563
   84    HG3  PRO  11           1HG      PRO  11   0.468  10.584   0.224
   85    HD2  PRO  11           2HD      PRO  11  -1.739   9.066   0.175
   86    HD3  PRO  11           1HD      PRO  11  -0.227   8.509  -0.563
   87    H    ARG  12           H        ARG  12  -1.691   8.673   3.308
   88    HA   ARG  12           HA       ARG  12  -0.752   8.697   6.049
   89    HB2  ARG  12           2HB      ARG  12  -3.460   9.264   4.883
   90    HB3  ARG  12           1HB      ARG  12  -3.048   9.422   6.576
   91    HG2  ARG  12           2HG      ARG  12  -1.815  10.982   4.297
   92    HG3  ARG  12           1HG      ARG  12  -3.029  11.594   5.418
   93    HD2  ARG  12           2HD      ARG  12  -1.473  11.355   7.270
   94    HD3  ARG  12           1HD      ARG  12  -0.267  10.644   6.195
   95    HE   ARG  12           HE       ARG  12  -1.072  13.152   5.237
   96   HH11  ARG  12          1HH1      ARG  12   0.794  11.787   7.902
   97   HH12  ARG  12          2HH1      ARG  12   1.895  13.077   8.003
   98   HH21  ARG  12          1HH2      ARG  12   0.400  14.910   5.324
   99   HH22  ARG  12          2HH2      ARG  12   1.665  14.942   6.472
  100    H    ASN  13           H        ASN  13  -2.691   6.645   4.028
  101    HA   ASN  13           HA       ASN  13  -2.960   4.752   6.265
  102    HB2  ASN  13           2HB      ASN  13  -5.065   6.025   6.135
  103    HB3  ASN  13           1HB      ASN  13  -5.223   5.591   4.441
  104   HD21  ASN  13          1HD2      ASN  13  -7.171   4.612   4.764
  105   HD22  ASN  13          2HD2      ASN  13  -7.378   3.109   5.583
  106    H    ASP  14           H        ASP  14  -1.796   3.076   5.535
  107    HA   ASP  14           HA       ASP  14  -1.481   2.462   2.747
  108    HB2  ASP  14           2HB      ASP  14   0.217   1.989   4.596
  109    HB3  ASP  14           1HB      ASP  14  -0.838   0.680   5.106
  110    H    LYS  15           H        LYS  15  -2.654   1.029   1.564
  111    HA   LYS  15           HA       LYS  15  -4.732  -0.489   2.977
  112    HB2  LYS  15           2HB      LYS  15  -5.036   1.095   0.428
  113    HB3  LYS  15           1HB      LYS  15  -6.238  -0.038   1.013
  114    HG2  LYS  15           2HG      LYS  15  -5.328   2.485   2.402
  115    HG3  LYS  15           1HG      LYS  15  -6.850   2.260   1.542
  116    HD2  LYS  15           2HD      LYS  15  -5.985   0.767   4.031
  117    HD3  LYS  15           1HD      LYS  15  -7.139   2.089   3.969
  118    HE2  LYS  15           2HE      LYS  15  -8.636   0.770   2.601
  119    HE3  LYS  15           1HE      LYS  15  -7.476  -0.561   2.560
  120    HZ1  LYS  15           3HZ      LYS  15  -7.699  -0.709   4.970
  121    HZ2  LYS  15           1HZ      LYS  15  -9.160  -0.984   4.184
  122    HZ3  LYS  15           2HZ      LYS  15  -8.894   0.489   4.937
  123    H    CYS  16           H        CYS  16  -2.042  -1.188   1.777
  124    HA   CYS  16           HA       CYS  16  -2.911  -2.762  -0.436
  125    HB2  CYS  16           2HB      CYS  16  -0.178  -2.310   0.702
  126    HB3  CYS  16           1HB      CYS  16  -0.475  -3.439  -0.615
  127    H    CYS  17           H        CYS  17  -2.251  -4.958  -0.728
  128    HA   CYS  17           HA       CYS  17  -3.691  -6.601   1.000
  129    HB2  CYS  17           2HB      CYS  17  -1.678  -7.385  -1.107
  130    HB3  CYS  17           1HB      CYS  17  -2.922  -8.427  -0.431
  131    H    SER  18           H        SER  18  -2.938  -8.588   2.092
  132    HA   SER  18           HA       SER  18  -1.133  -8.074   4.114
  133    HB2  SER  18           2HB      SER  18  -2.107 -10.720   3.063
  134    HB3  SER  18           1HB      SER  18  -1.475 -10.412   4.690
  135    HG   SER  18           HG       SER  18  -3.195  -8.886   4.918
  136    H    GLY  19           H        GLY  19   0.992  -8.085   4.193
  137    HA2  GLY  19           2HA      GLY  19   3.141  -9.001   3.903
  138    HA3  GLY  19           1HA      GLY  19   2.542  -9.905   2.514
  139    H    LEU  20           H        LEU  20   1.228  -7.099   1.921
  140    HA   LEU  20           HA       LEU  20   3.487  -6.095   0.373
  141    HB2  LEU  20           2HB      LEU  20   1.392  -7.123  -0.705
  142    HB3  LEU  20           1HB      LEU  20   0.550  -5.716  -0.090
  143    HG   LEU  20           HG       LEU  20   2.104  -4.296  -1.401
  144   HD11  LEU  20          1HD1      LEU  20   3.351  -5.387  -3.190
  145   HD12  LEU  20          2HD1      LEU  20   2.853  -6.965  -2.542
  146   HD13  LEU  20          3HD1      LEU  20   3.892  -5.913  -1.590
  147   HD21  LEU  20          3HD2      LEU  20  -0.148  -4.845  -2.171
  148   HD22  LEU  20          1HD2      LEU  20   0.470  -6.326  -2.902
  149   HD23  LEU  20          2HD2      LEU  20   0.990  -4.761  -3.517
  150    H    LYS  21           H        LYS  21   3.894  -3.870   0.626
  151    HA   LYS  21           HA       LYS  21   1.929  -2.254   1.995
  152    HB2  LYS  21           2HB      LYS  21   4.024  -3.396   3.444
  153    HB3  LYS  21           1HB      LYS  21   4.513  -1.732   3.142
  154    HG2  LYS  21           2HG      LYS  21   2.137  -1.157   4.010
  155    HG3  LYS  21           1HG      LYS  21   2.154  -2.800   4.650
  156    HD2  LYS  21           2HD      LYS  21   2.893  -1.386   6.400
  157    HD3  LYS  21           1HD      LYS  21   4.325  -2.208   5.783
  158    HE2  LYS  21           2HE      LYS  21   4.790   0.161   6.154
  159    HE3  LYS  21           1HE      LYS  21   4.895  -0.219   4.440
  160    HZ1  LYS  21           3HZ      LYS  21   3.698   1.857   4.815
  161    HZ2  LYS  21           1HZ      LYS  21   2.603   1.074   5.814
  162    HZ3  LYS  21           2HZ      LYS  21   2.624   0.731   4.166
  163    H    CYS  22           H        CYS  22   2.447  -0.022   1.841
  164    HA   CYS  22           HA       CYS  22   3.726   0.679  -0.585
  165    HB2  CYS  22           2HB      CYS  22   1.793   1.864   0.490
  166    HB3  CYS  22           1HB      CYS  22   2.911   2.438   1.716
  167    H    GLY  23           H        GLY  23   5.750   1.247  -0.897
  168    HA2  GLY  23           2HA      GLY  23   7.656   0.732   1.147
  169    HA3  GLY  23           1HA      GLY  23   8.041   1.339  -0.453
  170    H    SER  24           H        SER  24   9.025   2.084   2.175
  171    HA   SER  24           HA       SER  24   7.984   4.658   2.772
  172    HB2  SER  24           2HB      SER  24  10.063   4.799   4.201
  173    HB3  SER  24           1HB      SER  24   9.010   3.428   4.560
  174    HG   SER  24           HG       SER  24  10.707   2.291   4.268
  175    H    ASN  25           H        ASN  25   8.764   6.625   2.207
  176    HA   ASN  25           HA       ASN  25   9.704   8.263   1.013
  177    HB2  ASN  25           2HB      ASN  25  11.895   7.277   1.872
  178    HB3  ASN  25           1HB      ASN  25  11.994   6.362   0.374
  179   HD21  ASN  25          1HD2      ASN  25  13.937   7.382  -0.192
  180   HD22  ASN  25          2HD2      ASN  25  13.950   9.025  -0.748
  181    H    HIS  26           H        HIS  26   8.156   5.940  -0.094
  182    HA   HIS  26           HA       HIS  26   8.350   6.664  -2.923
  183    HB2  HIS  26           2HB      HIS  26   8.023   3.864  -1.775
  184    HB3  HIS  26           1HB      HIS  26   7.688   4.276  -3.446
  185    HD1  HIS  26           1HD      HIS  26  10.602   4.079  -1.009
  186    HD2  HIS  26           2HD      HIS  26   9.802   4.291  -5.065
  187    HE1  HIS  26           1HE      HIS  26  12.792   3.674  -2.160
  188    H    ASN  27           H        ASN  27   6.150   5.448  -3.870
  189    HA   ASN  27           HA       ASN  27   4.015   5.883  -1.955
  190    HB2  ASN  27           2HB      ASN  27   4.379   8.002  -3.262
  191    HB3  ASN  27           1HB      ASN  27   4.046   7.106  -4.732
  192   HD21  ASN  27          1HD2      ASN  27   2.318   6.737  -1.670
  193   HD22  ASN  27          2HD2      ASN  27   0.808   7.309  -2.268
  194    H    TRP  28           H        TRP  28   5.378   3.703  -3.475
  195    HA   TRP  28           HA       TRP  28   2.913   2.552  -4.548
  196    HB2  TRP  28           2HB      TRP  28   4.198   1.104  -6.082
  197    HB3  TRP  28           1HB      TRP  28   4.345   2.806  -6.455
  198    HD1  TRP  28           HD       TRP  28   6.598   1.251  -3.741
  199    HE1  TRP  28           1HE      TRP  28   9.016   1.150  -4.631
  200    HE3  TRP  28           3HE      TRP  28   5.777   2.660  -8.590
  201    HZ2  TRP  28           2HZ      TRP  28  10.348   1.534  -6.967
  202    HZ3  TRP  28           3HZ      TRP  28   7.712   2.759 -10.111
  203    HH2  TRP  28           HH       TRP  28   9.961   2.216  -9.325
  204    H    CYS  29           H        CYS  29   2.728   0.293  -4.477
  205    HA   CYS  29           HA       CYS  29   3.697  -0.691  -1.937
  206    HB2  CYS  29           2HB      CYS  29   1.370  -1.213  -3.625
  207    HB3  CYS  29           1HB      CYS  29   1.798  -2.479  -2.510
  208    H    LYS  30           H        LYS  30   5.262  -1.924  -1.739
  209    HA   LYS  30           HA       LYS  30   5.837  -3.981  -3.754
  210    HB2  LYS  30           2HB      LYS  30   7.779  -2.279  -2.183
  211    HB3  LYS  30           1HB      LYS  30   8.259  -3.738  -3.023
  212    HG2  LYS  30           2HG      LYS  30   7.565  -2.703  -5.163
  213    HG3  LYS  30           1HG      LYS  30   7.110  -1.248  -4.280
  214    HD2  LYS  30           2HD      LYS  30   9.283  -0.955  -5.282
  215    HD3  LYS  30           1HD      LYS  30   9.419  -0.990  -3.530
  216    HE2  LYS  30           2HE      LYS  30  11.218  -2.226  -4.616
  217    HE3  LYS  30           1HE      LYS  30  10.233  -3.298  -3.625
  218    HZ1  LYS  30           3HZ      LYS  30   9.162  -4.088  -5.639
  219    HZ2  LYS  30           1HZ      LYS  30  10.829  -4.246  -5.766
  220    HZ3  LYS  30           2HZ      LYS  30  10.057  -3.006  -6.586
  221    H    LEU  31           H        LEU  31   7.353  -5.705  -2.616
  222    HA   LEU  31           HA       LEU  31   5.795  -6.833  -0.570
  223    HB2  LEU  31           2HB      LEU  31   8.507  -7.560  -1.631
  224    HB3  LEU  31           1HB      LEU  31   7.818  -8.419  -0.272
  225    HG   LEU  31           HG       LEU  31   7.455  -9.735  -2.203
  226   HD11  LEU  31          1HD1      LEU  31   5.606  -9.715  -0.677
  227   HD12  LEU  31          2HD1      LEU  31   5.048  -9.922  -2.335
  228   HD13  LEU  31          3HD1      LEU  31   4.870  -8.364  -1.541
  229   HD21  LEU  31          3HD2      LEU  31   6.248  -8.951  -4.194
  230   HD22  LEU  31          1HD2      LEU  31   7.757  -8.073  -3.949
  231   HD23  LEU  31          2HD2      LEU  31   6.219  -7.320  -3.523
  232    H    HIS  32           H        HIS  32   5.998  -7.064   1.562
  233    HA   HIS  32           HA       HIS  32   7.873  -5.211   2.836
  234    HB2  HIS  32           2HB      HIS  32   5.470  -4.607   2.944
  235    HB3  HIS  32           1HB      HIS  32   5.145  -6.112   3.787
  236    HD1  HIS  32           1HD      HIS  32   4.965  -5.771   6.272
  237    HD2  HIS  32           2HD      HIS  32   7.547  -3.052   4.490
  238    HE1  HIS  32           1HE      HIS  32   5.723  -4.218   8.106
  239    H    LEU  33           H        LEU  33   8.978  -5.938   4.593
  240    HA   LEU  33           HA       LEU  33   8.662  -8.741   5.360
  241    HB2  LEU  33           2HB      LEU  33  11.253  -7.205   5.022
  242    HB3  LEU  33           1HB      LEU  33  11.119  -8.832   5.648
  243    HG   LEU  33           HG       LEU  33  10.440  -7.996   2.823
  244   HD11  LEU  33          1HD1      LEU  33  12.469  -9.212   2.206
  245   HD12  LEU  33          2HD1      LEU  33  12.824  -9.484   3.912
  246   HD13  LEU  33          3HD1      LEU  33  12.825  -7.845   3.260
  247   HD21  LEU  33          3HD2      LEU  33   9.127  -9.921   3.561
  248   HD22  LEU  33          1HD2      LEU  33  10.599 -10.733   4.097
  249   HD23  LEU  33          2HD2      LEU  33  10.343 -10.410   2.383