*HEADER    TOXIN                                   30-AUG-16   5T4R              
*TITLE     NMR SOLUTION STRUCTURE OF THE NAV1.7 SELECTIVE SPIDER VENOM-DERIVED   
*TITLE    2 PEPTIDE PN3A                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MU-THERAPHOTOXIN-PN3A;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: THERAPHOSIDAE;                                  
*SOURCE   4 ORGANISM_COMMON: TARANTULAS;                                         
*SOURCE   5 ORGANISM_TAXID: 6895                                                 
*KEYWDS    TARANTULA PEPTIDE TOXIN, INHIBITOR CYSTINE KNOT, VOLTAGE-GATED SODIUM 
*KEYWDS   2 CHANNEL MODIFIER, VOLTAGE SENSOR MODIFIER, TOXIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN,D.A.ARMSTRONG,I.VETTER                                  
*REVDAT   1   06-SEP-17 5T4R    0                                                
# Restraints file 1: 779_mr.str
!Distance Restraints
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.610    0.810    0.810  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.680    0.880    0.880  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.515    0.715    0.715  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.775    0.975    0.975  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.875    1.075    1.075  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   2.995    1.195    1.195  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.355    0.555    0.555  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.380    0.580    0.580  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.240    1.440    1.440  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   2.655    0.855    0.855  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name   HN)   (resid  26 and name  HD#)   3.065    1.265    1.265  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   2.575    0.775    0.775  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.605    0.805    0.805  
assign (resid  26 and name  HD#)   (resid  27 and name   HN)   2.895    1.095    1.095  
assign (resid  26 and name  HG#)   (resid  27 and name   HN)   3.325    1.525    1.525  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.740    0.940    0.940  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.045    1.245    1.245  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  24 and name  HD#)   3.650    1.850    1.850  
assign (resid  22 and name  HG2)   (resid  24 and name   HN)   3.435    1.635    1.635  
assign (resid  22 and name  HG1)   (resid  24 and name   HN)   3.435    1.635    1.635  
assign (resid   3 and name   HN)   (resid  15 and name  HB2)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  23 and name  HD#)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.415    0.615    0.615  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.840    1.040    1.040  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   2.965    1.165    1.165  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.505    0.705    0.705  
assign (resid  23 and name  HD#)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid   3 and name  HG2)   3.445    1.645    1.645  
assign (resid  11 and name  HD2)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.995    1.195    1.195  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.705    0.905    0.905  
assign (resid  22 and name   HN)   (resid  22 and name  HD#)   3.425    1.625    1.625  
assign (resid  22 and name   HN)   (resid  22 and name  HG1)   3.385    1.585    1.585  
assign (resid  22 and name  HG1)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HD#)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.630    1.830    1.830  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.230    1.430    1.430  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.295    0.495    0.495  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.345    0.545    0.545  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.635    0.835    0.835  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.620    0.820    0.820  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   3.110    1.310    1.310  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  20 and name  HA2)   (resid  21 and name   HN)   2.630    0.830    0.830  
assign (resid  20 and name  HA1)   (resid  21 and name   HN)   2.630    0.830    0.830  
assign (resid  19 and name   HN)   (resid  19 and name   HG)   3.080    1.280    1.280  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.575    0.775    0.775  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.560    0.760    0.760  
assign (resid  19 and name   HG)   (resid  20 and name   HN)   3.535    1.735    1.735  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   2.950    1.150    1.150  
assign (resid  19 and name HD1#)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.350    0.550    0.550  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.300    1.500    1.500  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.300    1.500    1.500  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.690    0.890    0.890  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.440    0.640    0.640  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.595    0.795    0.795  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.265    1.465    1.465  
assign (resid  17 and name  HG1)   (resid  18 and name   HN)   3.065    1.265    1.265  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.610    0.810    0.810  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.920    1.120    1.120  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.385    0.585    0.585  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   2.405    0.605    0.605  
assign (resid  17 and name   HN)   (resid  17 and name  HE#)   3.650    1.850    1.850  
assign (resid  34 and name   HN)   (resid  34 and name  HB1)   2.970    1.170    1.170  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.850    1.050    1.050  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.585    0.785    0.785  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.500    0.700    0.700  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   3.650    1.850    1.850  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   3.650    1.850    1.850   
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.560    0.760    0.760  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.800    1.000    1.000  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   2.985    1.185    1.185  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.655    0.855    0.855  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.345    0.545    0.545  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.720    0.920    0.920  
assign (resid  11 and name   HN)   (resid  14 and name  HB2)   2.855    1.055    1.055  
assign (resid  13 and name   HN)   (resid  13 and name  HG2)   3.345    1.545    1.545  
assign (resid  13 and name   HN)   (resid  13 and name  HG1)   3.345    1.545    1.545  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.940    1.140    1.140  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   3.060    1.260    1.260  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   3.060    1.260    1.260  
assign (resid  13 and name  HG1)   (resid  14 and name   HN)   3.635    1.835    1.835  
assign (resid  13 and name  HG2)   (resid  14 and name   HN)   3.635    1.835    1.835  
assign (resid  11 and name  HD1)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.730    0.930    0.930   
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   3.045    1.245    1.245  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.850    1.050    1.050  
assign (resid   3 and name  HB#)   (resid  15 and name   HN)   3.100    1.300    1.300  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.840    1.040    1.040  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.820    1.020    1.020  
assign (resid  10 and name   HN)   (resid  10 and name  HG#)   2.820    1.020    1.020  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.720    0.920    0.920  
assign (resid  10 and name  HG#)   (resid  11 and name   HN)   3.460    1.660    1.660  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.020    1.220    1.220  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.305    1.505    1.505  
assign (resid  33 and name   HN)   (resid  33 and name HG2#)   3.000    1.200    1.200    
assign (resid  35 and name   HN)   (resid  35 and name HG2#)   3.285    1.485    1.485  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.515    0.715    0.715  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.410    0.610    0.610  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.635    0.835    0.835  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.515    0.715    0.715  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.330    0.530    0.530  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   2.815    1.015    1.015  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   2.890    1.090    1.090  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.255    1.455    1.455  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.640    0.840    0.840  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.395    0.595    0.595  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.600    0.800    0.800  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.850    1.050    1.050  
assign (resid  33 and name HG2#)   (resid  34 and name   HN)   3.390    1.590    1.590  
assign (resid  19 and name   HN)   (resid  19 and name HD1#)   3.280    1.480    1.480  
assign (resid  19 and name   HN)   (resid  19 and name HD2#)   3.280    1.480    1.480  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.790    0.990    0.990    
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.480    0.680    0.680  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.980    1.180    1.180  
assign (resid   3 and name  HD#)   (resid   4 and name   HN)   3.420    1.620    1.620  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.335    0.535    0.535      
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.605    0.805    0.805  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.545    0.745    0.745  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.775    0.975    0.975  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   3.460    1.660    1.660  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.365    0.565    0.565  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.660    0.860    0.860  
assign (resid  11 and name  HD2)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HG1)   (resid  12 and name   HN)   3.435    1.635    1.635  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.660    0.860    0.860  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   2.660    0.860    0.860  
assign (resid  19 and name HD2#)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   3.135    1.335    1.335  
assign (resid  24 and name  HD#)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HG2)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HG1)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   3.375    1.575    1.575  
assign (resid   9 and name   HN)   (resid  27 and name   HA)   2.655    0.855    0.855  
assign (resid  17 and name   HA)   (resid  19 and name   HN)   2.840    1.040    1.040  
assign (resid  22 and name   HN)   (resid  28 and name   HA)   2.990    1.190    1.190  
assign (resid  19 and name   HA)   (resid  29 and name   HN)   3.565    1.765    1.765  
assign (resid  19 and name  HB1)   (resid  29 and name   HN)   2.940    1.140    1.140  
assign (resid  21 and name   HA)   (resid  29 and name   HN)   3.210    1.410    1.410  
assign (resid  12 and name   HA)   (resid  21 and name   HN)   2.535    0.735    0.735  
assign (resid  12 and name  HB1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name  HB2)   (resid  21 and name   HN)   3.160    1.360    1.360  
assign (resid  10 and name   HN)   (resid  14 and name  HB1)   2.995    1.195    1.195  
assign (resid  10 and name   HN)   (resid  14 and name  HB2)   2.845    1.045    1.045  
assign (resid  10 and name   HN)   (resid  11 and name   HA)   3.485    1.685    1.685  
assign (resid  12 and name   HN)   (resid  21 and name  HB2)   3.290    1.490    1.490  
assign (resid  12 and name   HN)   (resid  21 and name  HB1)   2.850    1.050    1.050  
assign (resid  16 and name   HN)   (resid  19 and name  HB1)   3.265    1.465    1.465  
assign (resid   2 and name  HB1)   (resid  16 and name   HN)   2.990    1.190    1.190  
assign (resid   2 and name  HB2)   (resid  16 and name   HN)   3.315    1.515    1.515  
assign (resid   2 and name   HA)   (resid  16 and name   HN)   3.295    1.495    1.495  
assign (resid  11 and name  HD1)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  15 and name   HA)   2.515    0.715    0.715  
assign (resid  20 and name   HN)   (resid  28 and name   HA)   3.435    1.635    1.635  
assign (resid  20 and name   HN)   (resid  30 and name   HA)   3.255    1.455    1.455  
assign (resid  20 and name   HN)   (resid  29 and name  HB#)   3.400    1.600    1.600  
assign (resid  20 and name   HN)   (resid  31 and name  HB#)   3.440    1.640    1.640  
assign (resid  20 and name   HN)   (resid  28 and name  HB1)   3.650    1.850    1.850  
assign (resid  15 and name  HB2)   (resid  20 and name   HN)   3.380    1.580    1.580  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.415    0.615    0.615  
assign (resid   3 and name  HD#)   (resid   8 and name   HN)   3.005    1.205    1.205  
assign (resid   3 and name  HB#)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.285    0.485    0.485  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   3.500    1.700    1.700  
assign (resid  20 and name   HN)   (resid  29 and name   HN)   2.715    0.915    0.915  
assign (resid  22 and name   HN)   (resid  29 and name   HN)   3.375    1.575    1.575  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.550    1.750    1.750  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.225    1.425    1.425  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.775    0.975    0.975  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   3.510    1.710    1.710  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.290    1.490    1.490  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.360    1.560    1.560  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.475    0.675    0.675  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.465    0.665    0.665  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.590    0.790    0.790  
assign (resid  30 and name  HD1)   (resid  31 and name   HN)   3.650    1.850    1.850  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.835    1.035    1.035  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   2.950    1.150    1.150  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.695    0.895    0.895  
assign (resid  22 and name   HN)   (resid  27 and name   HN)   2.895    1.095    1.095  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.690    0.890    0.890  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.760    0.960    0.960  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   3.005    1.205    1.205  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.630    1.830    1.830  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.795    0.995    0.995  
assign (resid   3 and name   HN)   (resid  16 and name   HN)   3.045    1.245    1.245  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.025    1.225    1.225  
assign (resid   9 and name   HN)   (resid  26 and name  HB2)   3.255    1.455    1.455  
assign (resid   9 and name   HN)   (resid  26 and name  HG#)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid  19 and name HD2#)   3.005    1.205    1.205  
assign (resid   5 and name   HN)   (resid  19 and name HD1#)   3.005    1.205    1.205  
assign (resid  19 and name   HA)   (resid  31 and name   HN)   3.010    1.210    1.210  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   2.795    0.995    0.995  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.610    0.810    0.810  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.385    0.585    0.585  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  34 and name   HA)   (resid  35 and name   HN)   2.655    0.855    0.855  
assign (resid   5 and name  HE#)   (resid   6 and name  HD#)   3.365    1.565    1.565  
assign (resid  18 and name  HB1)   (resid  30 and name  HE3)   3.165    1.365    1.365  
assign (resid  18 and name  HB2)   (resid  30 and name  HE3)   3.165    1.365    1.365  
assign (resid  23 and name  HB2)   (resid  23 and name   HE)   3.355    1.555    1.555  
assign (resid  23 and name  HB1)   (resid  23 and name   HE)   3.650    1.850    1.850  
assign (resid  32 and name  HD#)   (resid  33 and name HG2#)   3.015    1.215    1.215  
assign (resid  31 and name  HB#)   (resid  32 and name  HD#)   3.605    1.805    1.805  
assign (resid  32 and name   HA)   (resid  32 and name  HD#)   2.780    0.980    0.980  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   2.530    0.730    0.730  
assign (resid   5 and name  HG2)   (resid   6 and name  HD#)   3.360    1.560    1.560  
assign (resid   5 and name  HB2)   (resid   6 and name  HD#)   3.300    1.500    1.500  
assign (resid   5 and name  HB1)   (resid   6 and name  HD#)   3.395    1.595    1.595  
assign (resid   5 and name  HG1)   (resid   6 and name  HD#)   3.360    1.560    1.560  
assign (resid   5 and name  HG2)   (resid   6 and name  HE#)   3.255    1.455    1.455  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   2.565    0.765    0.765  
assign (resid   4 and name   HA)   (resid   4 and name  HE#)   3.195    1.395    1.395  
assign (resid  18 and name   HA)   (resid  18 and name  HD2)   3.035    1.235    1.235  
assign (resid   4 and name  HD#)   (resid  19 and name HD2#)   3.240    1.440    1.440  
assign (resid   4 and name  HD#)   (resid  19 and name HD1#)   3.240    1.440    1.440  
assign (resid   4 and name  HD#)   (resid  16 and name  HB1)   3.010    1.210    1.210   
assign (resid  34 and name   HA)   (resid  34 and name  HD#)   3.150    1.350    1.350  
assign (resid   6 and name   HA)   (resid   6 and name  HE#)   3.310    1.510    1.510  
assign (resid  25 and name  HB1)   (resid  27 and name  HD#)   2.880    1.080    1.080  
assign (resid  30 and name   HA)   (resid  30 and name  HD1)   3.025    1.225    1.225  
assign (resid  25 and name  HB2)   (resid  27 and name  HD#)   2.685    0.885    0.885  
assign (resid  25 and name   HA)   (resid  27 and name  HD#)   3.560    1.760    1.760  
assign (resid  25 and name   HA)   (resid  27 and name  HE#)   3.370    1.570    1.570  
assign (resid  25 and name  HG1)   (resid  27 and name  HE#)   3.455    1.655    1.655  
assign (resid  25 and name  HB2)   (resid  27 and name  HE#)   2.630    0.830    0.830  
assign (resid  25 and name  HB1)   (resid  27 and name  HE#)   2.960    1.160    1.160  
assign (resid   9 and name  HB#)   (resid  27 and name   HA)   3.365    1.565    1.565  
assign (resid  26 and name   HA)   (resid  27 and name   HA)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid  27 and name   HA)   2.520    0.720    0.720  
assign (resid  27 and name   HA)   (resid  28 and name  HB2)   3.510    1.710    1.710  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.395    1.595    1.595  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.200    1.400    1.400  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.080    1.280    1.280  
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assign (resid  32 and name   HN)   (resid  32 and name  HD#)   2.880    1.080    1.080  
assign (resid  30 and name   HN)   (resid  30 and name  HD1)   3.150    1.350    1.350  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   3.295    1.495    1.495  
assign (resid   5 and name   HA)   (resid   6 and name  HE#)   3.650    1.850    1.850  
assign (resid  25 and name  HB1)   (resid  27 and name   HN)   3.315    1.515    1.515  
assign (resid   9 and name  HB#)   (resid  14 and name   HN)   3.365    1.565    1.565  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   2.865    1.065    1.065  
assign (resid   4 and name  HE#)   (resid  16 and name  HB1)   3.555    1.755    1.755    
assign (resid  25 and name  HB2)   (resid  27 and name   HN)   3.180    1.380    1.380  
assign (resid   4 and name  HE#)   (resid  19 and name HD1#)   3.650    1.850    1.850  
assign (resid  19 and name HD1#)   (resid  30 and name  HE3)   3.315    1.515    1.515  
assign (resid   9 and name  HB#)   (resid  11 and name   HN)   2.580    0.780    0.780  
assign (resid  34 and name   HN)   (resid  34 and name  HD#)   3.105    1.305    1.305  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   3.250    1.450    1.450  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   3.220    1.420    1.420  
assign (resid   6 and name  HE#)   (resid  27 and name  HE#)   3.200    1.400    1.400  
assign (resid  30 and name   HA)   (resid  30 and name  HE3)   2.605    0.805    0.805  
assign (resid  30 and name  HB1)   (resid  30 and name  HE3)   2.840    1.040    1.040  
assign (resid  30 and name  HB2)   (resid  30 and name  HE3)   2.840    1.040    1.040  
assign (resid   5 and name  HE#)   (resid  30 and name  HE3)   3.625    1.825    1.825  
assign (resid  19 and name HD2#)   (resid  30 and name  HE3)   3.315    1.515    1.515  
assign (resid   2 and name  HB2)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  32 and name   HA)   3.315    1.515    1.515  
assign (resid  22 and name   HN)   (resid  22 and name  HG2)   3.385    1.585    1.585  
assign (resid  11 and name  HG2)   (resid  12 and name   HN)   3.435    1.635    1.635  
assign (resid  24 and name   HN)   (resid  25 and name  HB1)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.405    1.605    1.605  
assign (resid   2 and name  HB1)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   3.205    1.405    1.405  
assign (resid  12 and name   HA)   (resid  15 and name   HN)   3.600    1.800    1.800  
assign (resid  33 and name   HB)   (resid  34 and name   HN)   3.075    1.275    1.275  
assign (resid   9 and name   HN)   (resid  26 and name   HA)   3.235    1.435    1.435  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.500    1.700    1.700  
assign (resid  19 and name   HG)   (resid  30 and name  HE3)   2.945    1.145    1.145  
assign (resid  22 and name  HD#)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HB1)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name  HE#)   (resid  27 and name  HE#)   2.985    1.185    1.185  
assign (resid   6 and name   HA)   (resid  27 and name  HE#)   3.145    1.345    1.345  
assign (resid  25 and name  HE#)   (resid  27 and name  HD#)   3.425    1.625    1.625  
assign (resid  18 and name  HB2)   (resid  30 and name  HZ3)   2.840    1.040    1.040  
assign (resid  18 and name  HB2)   (resid  30 and name  HH2)   3.350    1.550    1.550  
assign (resid   6 and name  HD#)   (resid  27 and name  HD#)   3.195    1.395    1.395  
assign (resid   9 and name  HB#)   (resid  28 and name   HN)   3.375    1.575    1.575  
assign (resid  15 and name   HN)   (resid  21 and name  HB2)   3.005    1.205    1.205  
assign (resid   5 and name  HB2)   (resid   6 and name  HE#)   3.270    1.470    1.470  
assign (resid   5 and name  HG1)   (resid   6 and name  HE#)   3.255    1.455    1.455  
assign (resid   6 and name  HD#)   (resid  27 and name  HB1)   3.370    1.570    1.570  
assign (resid   6 and name  HD#)   (resid  27 and name  HB2)   3.390    1.590    1.590  
assign (resid  25 and name  HG2)   (resid  27 and name  HE#)   3.455    1.655    1.655  
assign (resid  25 and name  HG2)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  27 and name  HD#)   2.545    0.745    0.745  
assign (resid   5 and name   HA)   (resid  27 and name  HD#)   3.320    1.520    1.520  
assign (resid   5 and name   HA)   (resid  27 and name  HE#)   3.650    1.850    1.850  
assign (resid   6 and name  HB2)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid  27 and name  HD#)   (resid  28 and name   HA)   3.650    1.850    1.850  
assign (resid  19 and name  HB2)   (resid  29 and name   HN)   3.540    1.740    1.740  
assign (resid   6 and name   HA)   (resid  27 and name   HA)   3.650    1.850    1.850  
assign (resid  25 and name  HG1)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid  22 and name  HG2)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HG2)   (resid  18 and name   HN)   3.065    1.265    1.265  
assign (resid  22 and name  HB2)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.940    1.140    1.140  
assign (resid  22 and name   HN)   (resid  22 and name  HE#)   3.650    1.850    1.850  
assign (resid   3 and name  HB#)   (resid  16 and name   HN)   3.375    1.575    1.575  
assign (resid  27 and name  HE#)   (resid  29 and name  HB#)   2.490    0.690    0.690  
assign (resid  27 and name  HD#)   (resid  29 and name  HB#)   2.600    0.800    0.800  
assign (resid  11 and name   HN)   (resid  14 and name  HB1)   3.200    1.400    1.400  
assign (resid   9 and name   HA)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HB#)   (resid  21 and name   HN)   3.630    1.830    1.830  
assign (resid   6 and name   HN)   (resid  27 and name  HD#)   3.225    1.425    1.425  
assign (resid  11 and name   HN)   (resid  21 and name  HB1)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  30 and name  HE1)   3.650    1.850    1.850  
assign (resid   5 and name  HE#)   (resid  30 and name   HN)   3.165    1.365    1.365  
assign (resid   5 and name  HE#)   (resid  30 and name  HE1)   3.625    1.825    1.825  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   3.050    1.250    1.250  
assign (resid   6 and name   HA)   (resid  28 and name   HN)   2.955    1.155    1.155  
assign (resid   5 and name   HA)   (resid  28 and name   HN)   2.955    1.155    1.155  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  28 and name   HN)   3.500    1.700    1.700  
assign (resid   5 and name  HE#)   (resid   6 and name  HE#)   2.825    1.025    1.025  
assign (resid  19 and name HD1#)   (resid  30 and name  HZ2)   3.650    1.850    1.850  
assign (resid  19 and name HD2#)   (resid  30 and name  HZ2)   3.650    1.850    1.850  
assign (resid   4 and name  HE#)   (resid  19 and name HD2#)   3.650    1.850    1.850  
assign (resid  19 and name HD2#)   (resid  30 and name  HZ3)   3.455    1.655    1.655  
assign (resid  19 and name HD1#)   (resid  30 and name  HZ3)   3.455    1.655    1.655  
assign (resid  26 and name   HA)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   3.285    1.485    1.485  
assign (resid  26 and name   HA)   (resid  26 and name  HG#)   2.750    0.950    0.950  
assign (resid  26 and name  HB1)   (resid  26 and name  HD#)   2.960    1.160    1.160  
assign (resid  22 and name   HA)   (resid  23 and name  HD#)   2.930    1.130    1.130  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   3.500    1.700    1.700  
assign (resid  24 and name   HA)   (resid  24 and name  HE#)   3.650    1.850    1.850  
assign (resid  23 and name  HB2)   (resid  23 and name  HD#)   2.805    1.005    1.005  
assign (resid  22 and name  HB2)   (resid  23 and name  HD#)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  21 and name  HB1)   2.790    0.990    0.990  
assign (resid  17 and name  HB2)   (resid  17 and name  HE#)   3.130    1.330    1.330  
assign (resid  10 and name   HA)   (resid  10 and name  HG#)   2.760    0.960    0.960  
assign (resid   2 and name  HB2)   (resid  16 and name  HB1)   3.635    1.835    1.835   
assign (resid  19 and name   HA)   (resid  19 and name HD2#)   3.445    1.645    1.645  
assign (resid  19 and name   HA)   (resid  19 and name HD1#)   3.445    1.645    1.645  
assign (resid  24 and name  HB#)   (resid  24 and name  HE#)   3.650    1.850    1.850  
assign (resid  33 and name   HA)   (resid  33 and name HG2#)   2.740    0.940    0.940  
assign (resid  35 and name   HA)   (resid  35 and name HG2#)   2.945    1.145    1.145  
assign (resid   2 and name  HB1)   (resid  16 and name   HA)   2.930    1.130    1.130  
assign (resid  19 and name   HA)   (resid  31 and name  HB#)   3.290    1.490    1.490  
assign (resid   5 and name   HA)   (resid  28 and name  HB1)   3.410    1.610    1.610  
assign (resid  12 and name   HA)   (resid  21 and name  HB2)   3.105    1.305    1.305  
assign (resid  10 and name  HB1)   (resid  10 and name  HG#)   2.255    0.455    0.455  
assign (resid  26 and name  HB2)   (resid  26 and name  HD#)   2.990    1.190    1.190    
assign (resid  19 and name  HB1)   (resid  19 and name HD1#)   2.925    1.125    1.125  
assign (resid  19 and name  HB1)   (resid  19 and name HD2#)   2.925    1.125    1.125  
assign (resid  17 and name   HA)   (resid  17 and name  HD#)   2.925    1.125    1.125  
assign (resid   9 and name  HB#)   (resid  21 and name  HB2)   3.155    1.355    1.355  
assign (resid  19 and name HD1#)   (resid  28 and name  HB1)   3.305    1.505    1.505  
assign (resid  19 and name HD1#)   (resid  28 and name  HB2)   3.300    1.500    1.500  
assign (resid  19 and name HD2#)   (resid  28 and name  HB1)   3.305    1.505    1.505  
assign (resid  19 and name HD2#)   (resid  28 and name  HB2)   3.300    1.500    1.500  
assign (resid   5 and name   HA)   (resid  19 and name HD1#)   3.245    1.445    1.445  
assign (resid   5 and name   HA)   (resid  19 and name HD2#)   3.245    1.445    1.445  
assign (resid  28 and name   HA)   (resid  29 and name  HB#)   3.650    1.850    1.850  
assign (resid   9 and name  HB#)   (resid  21 and name  HB1)   3.170    1.370    1.370  
assign (resid   8 and name  HB2)   (resid   9 and name  HB#)   3.650    1.850    1.850  
assign (resid  15 and name  HB2)   (resid  19 and name  HB2)   2.735    0.935    0.935  
assign (resid  15 and name  HB1)   (resid  19 and name  HB2)   2.965    1.165    1.165  
assign (resid   4 and name  HB2)   (resid  19 and name HD1#)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  19 and name HD1#)   3.600    1.800    1.800  
assign (resid  15 and name  HB2)   (resid  19 and name  HB1)   2.860    1.060    1.060  
assign (resid   6 and name   HA)   (resid  27 and name  HB1)   2.820    1.020    1.020  
assign (resid   3 and name  HB#)   (resid  15 and name   HA)   2.970    1.170    1.170  
assign (resid   8 and name  HB2)   (resid   9 and name   HA)   3.650    1.850    1.850  
assign (resid  15 and name  HB1)   (resid  19 and name  HB1)   3.390    1.590    1.590  
assign (resid  19 and name  HB1)   (resid  28 and name  HB1)   3.255    1.455    1.455  
assign (resid   9 and name   HA)   (resid  14 and name  HB2)   2.960    1.160    1.160  
assign (resid   5 and name   HA)   (resid  28 and name  HB2)   3.555    1.755    1.755  
assign (resid   6 and name   HA)   (resid  27 and name  HB2)   3.225    1.425    1.425  
assign (resid   5 and name   HA)   (resid  29 and name   HA)   3.465    1.665    1.665  
assign (resid  12 and name   HA)   (resid  21 and name  HB1)   3.280    1.480    1.480  
assign (resid  14 and name  HB1)   (resid  15 and name   HA)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid  27 and name  HB2)   3.270    1.470    1.470  
assign (resid   9 and name   HA)   (resid  14 and name  HB1)   3.250    1.450    1.450  
assign (resid   1 and name   HA)   (resid   2 and name  HB1)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  19 and name HD2#)   3.600    1.800    1.800  
assign (resid   4 and name  HB2)   (resid  19 and name HD2#)   3.650    1.850    1.850  
assign (resid   3 and name  HG2)   (resid  15 and name   HA)   3.650    1.850    1.850  
assign (resid   3 and name  HG1)   (resid  15 and name   HA)   3.650    1.850    1.850  
assign (resid   5 and name  HB2)   (resid  29 and name   HA)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid  29 and name   HA)   3.650    1.850    1.850  
assign (resid  19 and name   HG)   (resid  30 and name   HA)   3.560    1.760    1.760  
assign (resid   9 and name  HB#)   (resid  14 and name  HB1)   2.960    1.160    1.160  
assign (resid  11 and name   HA)   (resid  11 and name  HD2)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  11 and name  HD1)   3.650    1.850    1.850  
assign (resid  22 and name  HD#)   (resid  23 and name  HG#)   3.650    1.850    1.850  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.715    0.915    0.915   
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assign (resid   3 and name  HB#)   (resid   7 and name  HA#)   2.890    1.090    1.090   
assign (resid   3 and name  HG#)   (resid   7 and name  HA#)   2.910    1.110    1.110  
assign (resid   3 and name  HG#)   (resid   8 and name   HN)   3.065    1.265    1.265  
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assign (resid   3 and name   HE)   (resid   7 and name  HA#)   3.570    1.770    1.770  
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assign (resid   4 and name  HD#)   (resid  19 and name  HD#)   2.655    0.855    0.855  
assign (resid   4 and name  HE#)   (resid  19 and name  HD#)   3.065    1.265    1.265  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   2.935    1.135    1.135  
assign (resid   5 and name   HN)   (resid  19 and name  HD#)   2.690    0.890    0.890  
assign (resid   5 and name   HA)   (resid  19 and name  HD#)   2.915    1.115    1.115  
assign (resid   5 and name  HB1)   (resid  19 and name  HD#)   3.115    1.315    1.315  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   3.295    1.495    1.495  
assign (resid   5 and name  HG#)   (resid   6 and name  HD#)   2.940    1.140    1.140  
assign (resid   5 and name  HG#)   (resid   6 and name  HE#)   2.860    1.060    1.060  
assign (resid   5 and name  HG#)   (resid  19 and name  HD#)   3.280    1.480    1.480  
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assign (resid   5 and name  HG#)   (resid  29 and name   HA)   3.570    1.770    1.770  
assign (resid   5 and name  HG#)   (resid  30 and name   HN)   3.570    1.770    1.770  
assign (resid   5 and name  HG#)   (resid  30 and name  HE1)   3.570    1.770    1.770  
assign (resid   6 and name   HN)   (resid  19 and name  HD#)   3.225    1.425    1.425  
assign (resid   7 and name  HA#)   (resid   8 and name   HN)   2.395    0.595    0.595  
assign (resid   7 and name  HA#)   (resid   8 and name  HB2)   3.570    1.770    1.770  
assign (resid   7 and name  HA#)   (resid  27 and name   HA)   3.570    1.770    1.770  
assign (resid  10 and name   HN)   (resid  11 and name  HG#)   3.060    1.260    1.260  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.730    0.930    0.930  
assign (resid  11 and name   HN)   (resid  11 and name  HG#)   2.530    0.730    0.730  
assign (resid  11 and name   HN)   (resid  11 and name  HD#)   3.280    1.480    1.480  
assign (resid  11 and name  HB#)   (resid  11 and name  HE#)   3.090    1.290    1.290  
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assign (resid  11 and name  HG#)   (resid  12 and name   HN)   3.050    1.250    1.250  
assign (resid  11 and name  HG#)   (resid  13 and name   HN)   2.815    1.015    1.015  
assign (resid  11 and name  HG#)   (resid  13 and name  HB#)   3.335    1.535    1.535  
assign (resid  11 and name  HG#)   (resid  14 and name   HN)   2.660    0.860    0.860  
assign (resid  11 and name  HG#)   (resid  14 and name   HA)   3.570    1.770    1.770  
assign (resid  11 and name  HD#)   (resid  13 and name   HN)   3.290    1.490    1.490  
assign (resid  11 and name  HD#)   (resid  14 and name   HN)   3.225    1.425    1.425  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.610    0.810    0.810  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   3.035    1.235    1.235  
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   2.685    0.885    0.885  
assign (resid  13 and name  HB#)   (resid  13 and name  HG#)   2.065    0.265    0.265  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.750    0.950    0.950  
assign (resid  13 and name  HB#)   (resid  14 and name  HB1)   3.460    1.660    1.660  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.240    1.440    1.440  
assign (resid  15 and name   HA)   (resid  19 and name  HD#)   3.620    1.820    1.820  
assign (resid  15 and name  HB1)   (resid  19 and name  HD#)   3.350    1.550    1.550  
assign (resid  16 and name   HN)   (resid  19 and name  HD#)   2.645    0.845    0.845  
assign (resid  16 and name  HB2)   (resid  19 and name  HD#)   3.380    1.580    1.580  
assign (resid  16 and name  HB1)   (resid  19 and name  HD#)   2.620    0.820    0.820  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   2.995    1.195    1.195  
assign (resid  17 and name   HN)   (resid  19 and name  HD#)   3.620    1.820    1.820  
assign (resid  17 and name  HG#)   (resid  18 and name   HN)   2.740    0.940    0.940  
assign (resid  19 and name   HN)   (resid  19 and name  HD#)   2.880    1.080    1.080  
assign (resid  19 and name   HA)   (resid  19 and name  HD#)   2.975    1.175    1.175  
assign (resid  19 and name  HD#)   (resid  20 and name   HN)   3.040    1.240    1.240  
assign (resid  19 and name  HD#)   (resid  28 and name  HB2)   2.900    1.100    1.100  
assign (resid  19 and name  HD#)   (resid  28 and name  HB1)   3.015    1.215    1.215  
assign (resid  19 and name  HD#)   (resid  29 and name   HN)   3.215    1.415    1.415  
assign (resid  19 and name  HD#)   (resid  29 and name   HA)   3.145    1.345    1.345  
assign (resid  19 and name  HD#)   (resid  29 and name  HB#)   3.620    1.820    1.820  
assign (resid  19 and name  HD#)   (resid  30 and name   HN)   3.040    1.240    1.240  
assign (resid  19 and name  HD#)   (resid  30 and name  HB#)   3.280    1.480    1.480  
assign (resid  19 and name  HD#)   (resid  30 and name  HD1)   3.525    1.725    1.725  
assign (resid  19 and name  HD#)   (resid  30 and name  HE3)   2.680    0.880    0.880  
assign (resid  19 and name  HD#)   (resid  30 and name  HZ3)   3.075    1.275    1.275  
assign (resid  19 and name  HD#)   (resid  30 and name  HH2)   3.520    1.720    1.720  
assign (resid  19 and name  HD#)   (resid  31 and name   HN)   3.165    1.365    1.365  
assign (resid  20 and name  HA#)   (resid  21 and name   HN)   2.390    0.590    0.590  
assign (resid  20 and name  HA#)   (resid  21 and name  HB2)   3.570    1.770    1.770  
assign (resid  20 and name  HA#)   (resid  29 and name   HN)   3.570    1.770    1.770  
assign (resid  22 and name   HN)   (resid  22 and name  HG#)   3.025    1.225    1.225  
assign (resid  22 and name  HD#)   (resid  25 and name  HG#)   3.570    1.770    1.770  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.840    1.040    1.040  
assign (resid  25 and name  HG#)   (resid  26 and name   HN)   3.570    1.770    1.770  
assign (resid  25 and name  HG#)   (resid  27 and name  HD#)   3.280    1.480    1.480  
assign (resid  25 and name  HG#)   (resid  27 and name  HE#)   3.040    1.240    1.240  
assign (resid  30 and name  HB#)   (resid  30 and name  HE3)   2.580    0.780    0.780  
assign (resid  23 and name  HD#)   (resid  11 and name   HA)   4.500    0.000   30.000  
assign (resid  23 and name  HD#)   (resid  21 and name  HB2)   4.500    0.000   30.000  
assign (resid  23 and name  HD#)   (resid  21 and name  HB3)   4.500    0.000   30.000  

!Dihedral Restraints
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -83.0   36.4 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -64.4   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -134.1   22.3 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  156.1   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -135.3   36.4 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  153.2   24.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -58.1   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -36.4   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -67.1   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -22.3   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -83.3   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -11.9   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -71.6   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  148.3   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  -62.7   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -31.2   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  -73.3   41.9 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -16.0   53.3 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0 -104.5   68.3 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  138.0   63.6 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -87.6   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  121.9   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -81.9   27.6 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  119.6   310 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -68.7   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -39.2   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -91.5   20.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0   -9.9   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0   56.1   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0   46.7   20.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0 -130.0   32.5 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  154.4   21.9 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -72.6   30.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    ) (resid 29    and name N    )    1.0  135.3   29.6 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -81.2   57.5 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -79.0   22.7 2
assign (resid  1    and name C    ) (resid 2    and name N     ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -100.0  80.0 2
assign (resid  7    and name C    ) (resid 8    and name N     ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -100.0  80.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -100.0  80.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -100.0   80.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0  -100.0   80.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0  -100.0   80.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0  -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 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 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name CG   )    1.0  -60.0   30.0 2 
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name CG   )    1.0  -180.0   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  -60.0   30.0 2 
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name SG   )    1.0  -60.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name SG   )    1.0  -60.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name CB   ) (resid 17    and name CG   )    1.0  -60.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name CB   ) (resid 19    and name CG   )    1.0  -60.0   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name CB   ) (resid 21    and name SG   )    1.0  180.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name CB   ) (resid 22    and name CG   )    1.0  -60.0   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name CB   ) (resid 23    and name CG   )    1.0  -60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name CG   )    1.0  -60.0   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name CB   ) (resid 26    and name CG   )    1.0  -60.0   30.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name CB   ) (resid 27    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 SG   )    1.0  -60.0   30.0 2



!H-Bond Restraints
assign (resid    3 and name HN   ) (resid   14 and name O    )    2.30    2.30    0.00
assign (resid    3 and name N    ) (resid   14 and name O    )    3.30    3.30    0.00
assign (resid    6 and name HN   ) (resid  28 and name O    )    2.30    2.30    0.00 
assign (resid    6 and name N    ) (resid  28 and name O    )    3.30    3.30    0.00
assign (resid    7 and name HN   ) (resid   4 and name O    )    2.30    2.30    0.00 
assign (resid    7 and name N    ) (resid   4 and name O    )    3.30    3.30    0.00
assign (resid    9 and name HN   ) (resid   26 and name O    )    2.30    2.30    0.00
assign (resid    9 and name N    ) (resid   26 and name O    )    3.30    3.30    0.00
assign (resid   10 and name HN   ) (resid   14 and name OD1 or resid 14 and name OD2    ) 2.30    2.30    0.00 
assign (resid   10 and name N    ) (resid   14 and name OD1 or resid 14 and name OD2    ) 3.30    3.30    0.00
assign (resid   11 and name HN   ) (resid   14 and name OD1 or resid 14 and name OD2    ) 2.30    2.30    0.00 
assign (resid   11 and name N    ) (resid   14 and name OD1 or resid 14 and name OD2    ) 3.30    3.30    0.00
assign (resid   14 and name HN   ) (resid   11 and name O    )    2.30    2.30    0.00
assign (resid   14 and name N    ) (resid   11 and name O    )    3.30    3.30    0.00
assign (resid   15 and name HN   ) (resid   12 and name O    )    2.30    2.30    0.00
assign (resid   15 and name N    ) (resid   12 and name O    )    3.30    3.30    0.00
assign (resid   16 and name HN   ) (resid    3 and name O    )    2.30    2.30    0.00
assign (resid   16 and name N    ) (resid    3 and name O    )    3.30    3.30    0.00
assign (resid   19 and name HN   ) (resid   16 and name O    )    2.30    2.30    0.00
assign (resid   19 and name N    ) (resid   16 and name O    )    3.30    3.30    0.00
assign (resid   20 and name HN   ) (resid   29 and name O    )    2.30    2.30    0.00
assign (resid   20 and name N    ) (resid   29 and name O    )    3.30    3.30    0.00
assign (resid   21 and name HN   ) (resid   12 and name OD1 or resid 12 and name OD2    ) 2.30    2.30    0.00 
assign (resid   21 and name N    ) (resid   12 and name OD1 or resid 12 and name OD2    ) 3.30    3.30    0.00
assign (resid   22 and name HN   ) (resid   27 and name O    )    2.30    2.30    0.00
assign (resid   22 and name N    ) (resid   27 and name O    )    3.30    3.30    0.00
assign (resid   27 and name HN   ) (resid   22 and name O    )    2.30    2.30    0.00 
assign (resid   27 and name N    ) (resid   22 and name O    )    3.30    3.30    0.00
assign (resid   25 and name HN   ) (resid   22 and name O    )    2.30    2.30    0.00
assign (resid   25 and name N    ) (resid   22 and name O    )    3.30    3.30    0.00
assign (resid   29 and name HN   ) (resid   20 and name O    )    2.30    2.30    0.00
assign (resid   29 and name N    ) (resid   20 and name O    )    3.30    3.30    0.00



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           HT1      ASP   1   5.278 -12.186   1.626
    2    H2   ASP   1           HT2      ASP   1   6.100 -13.450   0.861
    3    H3   ASP   1           HT3      ASP   1   5.334 -12.221  -0.036
    4    HA   ASP   1           HA       ASP   1   7.527 -11.668   1.822
    5    HB2  ASP   1           HB2      ASP   1   7.593 -11.901  -1.208
    6    HB3  ASP   1           HB1      ASP   1   8.899 -11.249  -0.225
    7    H    CYS   2           H        CYS   2   8.457  -9.396   1.051
    8    HA   CYS   2           HA       CYS   2   6.183  -7.700   1.224
    9    HB2  CYS   2           HB2      CYS   2   7.807  -5.937   1.344
   10    HB3  CYS   2           HB1      CYS   2   8.081  -7.157   2.559
   11    H    ARG   3           H        ARG   3   6.051  -5.820   0.031
   12    HA   ARG   3           HA       ARG   3   6.472  -6.283  -2.828
   13    HB2  ARG   3           HB2      ARG   3   4.297  -5.286  -1.277
   14    HB3  ARG   3           HB1      ARG   3   4.856  -4.001  -2.320
   15    HG2  ARG   3           HG2      ARG   3   3.114  -5.246  -3.452
   16    HG3  ARG   3           HG1      ARG   3   4.656  -5.480  -4.272
   17    HD2  ARG   3           HD2      ARG   3   3.472  -7.573  -4.137
   18    HD3  ARG   3           HD1      ARG   3   4.913  -7.650  -3.126
   19    HE   ARG   3           HE       ARG   3   2.821  -6.819  -1.518
   20   HH11  ARG   3          HH11      ARG   3   3.622  -9.723  -3.380
   21   HH12  ARG   3          HH12      ARG   3   2.743 -10.768  -2.367
   22   HH21  ARG   3          HH21      ARG   3   1.600  -8.241  -0.184
   23   HH22  ARG   3          HH22      ARG   3   1.546  -9.908  -0.529
   24    H    TYR   4           H        TYR   4   7.807  -4.954  -4.011
   25    HA   TYR   4           HA       TYR   4   9.138  -2.886  -2.594
   26    HB2  TYR   4           HB2      TYR   4   9.524  -4.254  -5.248
   27    HB3  TYR   4           HB1      TYR   4  10.475  -2.885  -4.720
   28    HD1  TYR   4           HD1      TYR   4  10.008  -6.463  -4.492
   29    HD2  TYR   4           HD2      TYR   4  11.986  -3.162  -2.631
   30    HE1  TYR   4           HE1      TYR   4  11.545  -8.000  -3.364
   31    HE2  TYR   4           HE2      TYR   4  13.517  -4.692  -1.534
   32    HH   TYR   4           HH       TYR   4  13.699  -6.940  -0.876
   33    H    MET   5           H        MET   5   9.622  -1.327  -5.044
   34    HA   MET   5           HA       MET   5   7.430   0.467  -4.621
   35    HB2  MET   5           HB2      MET   5   9.936   0.945  -5.309
   36    HB3  MET   5           HB1      MET   5   9.301   0.752  -6.929
   37    HG2  MET   5           HG2      MET   5   7.605   2.487  -6.410
   38    HG3  MET   5           HG1      MET   5   8.395   2.681  -4.845
   39    HE1  MET   5           HE1      MET   5   8.036   5.255  -6.097
   40    HE2  MET   5           HE2      MET   5   9.665   5.944  -6.239
   41    HE3  MET   5           HE3      MET   5   9.223   5.033  -4.798
   42    H    PHE   6           H        PHE   6   5.744   0.909  -5.703
   43    HA   PHE   6           HA       PHE   6   4.100   0.914  -7.187
   44    HB2  PHE   6           HB2      PHE   6   5.943  -0.585  -9.073
   45    HB3  PHE   6           HB1      PHE   6   4.347   0.012  -9.515
   46    HD1  PHE   6           HD1      PHE   6   7.820   0.860  -8.961
   47    HD2  PHE   6           HD2      PHE   6   3.939   2.452  -9.601
   48    HE1  PHE   6           HE1      PHE   6   8.817   3.014  -9.506
   49    HE2  PHE   6           HE2      PHE   6   4.928   4.636 -10.162
   50    HZ   PHE   6           HZ       PHE   6   7.372   4.924 -10.115
   51    H    GLY   7           H        GLY   7   5.136  -1.595  -5.528
   52    HA2  GLY   7           HA2      GLY   7   3.154  -3.507  -6.425
   53    HA3  GLY   7           HA1      GLY   7   4.233  -3.653  -5.037
   54    H    ASP   8           H        ASP   8   1.259  -3.987  -5.270
   55    HA   ASP   8           HA       ASP   8  -0.105  -1.796  -4.138
   56    HB2  ASP   8           HB2      ASP   8  -1.290  -3.386  -5.264
   57    HB3  ASP   8           HB1      ASP   8  -0.765  -4.734  -4.248
   58    H    CYS   9           H        CYS   9  -0.865  -1.381  -2.092
   59    HA   CYS   9           HA       CYS   9   0.150  -3.031   0.058
   60    HB2  CYS   9           HB2      CYS   9   1.421  -1.234   1.066
   61    HB3  CYS   9           HB1      CYS   9   1.892  -1.578  -0.616
   62    H    GLU  10           H        GLU  10  -1.008  -2.814   1.954
   63    HA   GLU  10           HA       GLU  10  -3.290  -0.958   1.948
   64    HB2  GLU  10           HB2      GLU  10  -2.586  -3.149   3.908
   65    HB3  GLU  10           HB1      GLU  10  -4.083  -2.247   3.841
   66    HG2  GLU  10           HG2      GLU  10  -4.617  -3.319   1.717
   67    HG3  GLU  10           HG1      GLU  10  -3.103  -4.227   1.812
   68    H    LYS  11           H        LYS  11  -0.486  -2.119   3.698
   69    HA   LYS  11           HA       LYS  11  -0.336   0.332   5.239
   70    HB2  LYS  11           HB2      LYS  11   0.175  -0.958   7.202
   71    HB3  LYS  11           HB1      LYS  11  -1.385  -1.456   6.595
   72    HG2  LYS  11           HG2      LYS  11   0.111  -3.291   5.368
   73    HG3  LYS  11           HG1      LYS  11   1.191  -2.935   6.709
   74    HD2  LYS  11           HD2      LYS  11  -0.082  -4.720   7.456
   75    HD3  LYS  11           HD1      LYS  11  -0.850  -3.316   8.203
   76    HE2  LYS  11           HE2      LYS  11  -2.570  -4.757   7.306
   77    HE3  LYS  11           HE1      LYS  11  -2.492  -3.288   6.337
   78    HZ1  LYS  11           HZ1      LYS  11  -2.663  -5.242   4.905
   79    HZ2  LYS  11           HZ2      LYS  11  -1.318  -5.917   5.626
   80    HZ3  LYS  11           HZ3      LYS  11  -1.142  -4.543   4.675
   81    H    ASP  12           H        ASP  12   1.880   0.069   6.372
   82    HA   ASP  12           HA       ASP  12   3.772   0.083   4.189
   83    HB2  ASP  12           HB2      ASP  12   4.336   0.432   7.133
   84    HB3  ASP  12           HB1      ASP  12   5.434   0.814   5.809
   85    H    GLU  13           H        GLU  13   2.777  -2.149   6.453
   86    HA   GLU  13           HA       GLU  13   5.099  -3.771   6.797
   87    HB2  GLU  13           HB2      GLU  13   2.820  -3.710   8.093
   88    HB3  GLU  13           HB1      GLU  13   2.347  -4.785   6.767
   89    HG2  GLU  13           HG2      GLU  13   3.010  -6.019   8.808
   90    HG3  GLU  13           HG1      GLU  13   3.980  -6.410   7.388
   91    H    ASP  14           H        ASP  14   2.708  -3.411   4.337
   92    HA   ASP  14           HA       ASP  14   3.019  -6.000   3.172
   93    HB2  ASP  14           HB2      ASP  14   1.800  -3.482   1.969
   94    HB3  ASP  14           HB1      ASP  14   1.749  -5.128   1.338
   95    H    CYS  15           H        CYS  15   4.445  -2.898   2.888
   96    HA   CYS  15           HA       CYS  15   5.959  -3.532   0.524
   97    HB2  CYS  15           HB2      CYS  15   6.261  -1.163   2.380
   98    HB3  CYS  15           HB1      CYS  15   6.803  -1.328   0.725
   99    H    CYS  16           H        CYS  16   8.307  -3.436   0.613
  100    HA   CYS  16           HA       CYS  16   9.449  -4.796   2.770
  101    HB2  CYS  16           HB2      CYS  16  10.821  -3.150   0.694
  102    HB3  CYS  16           HB1      CYS  16  11.530  -4.443   1.544
  103    H    LYS  17           H        LYS  17  11.465  -3.778   3.741
  104    HA   LYS  17           HA       LYS  17  10.413  -1.560   5.285
  105    HB2  LYS  17           HB2      LYS  17  12.789  -3.310   5.871
  106    HB3  LYS  17           HB1      LYS  17  11.974  -2.206   6.990
  107    HG2  LYS  17           HG2      LYS  17   9.889  -3.451   6.340
  108    HG3  LYS  17           HG1      LYS  17  10.968  -4.670   5.726
  109    HD2  LYS  17           HD2      LYS  17  11.959  -5.041   7.914
  110    HD3  LYS  17           HD1      LYS  17  11.022  -3.708   8.599
  111    HE2  LYS  17           HE2      LYS  17   9.871  -6.259   7.453
  112    HE3  LYS  17           HE1      LYS  17  10.011  -5.879   9.167
  113    HZ1  LYS  17           HZ1      LYS  17   7.743  -5.406   8.318
  114    HZ2  LYS  17           HZ2      LYS  17   8.381  -4.328   7.205
  115    HZ3  LYS  17           HZ3      LYS  17   8.503  -4.013   8.847
  116    H    HIS  18           H        HIS  18  12.185  -1.940   2.872
  117    HA   HIS  18           HA       HIS  18  13.902   0.419   3.246
  118    HB2  HIS  18           HB2      HIS  18  13.586  -1.324   0.781
  119    HB3  HIS  18           HB1      HIS  18  14.704   0.024   0.919
  120    HD1  HIS  18           HD1      HIS  18  16.851  -0.382   2.336
  121    HD2  HIS  18           HD2      HIS  18  14.315  -3.650   2.037
  122    HE1  HIS  18           HE1      HIS  18  18.178  -2.365   3.112
  123    H    LEU  19           H        LEU  19  10.772  -0.073   2.727
  124    HA   LEU  19           HA       LEU  19  10.432   2.251   1.011
  125    HB2  LEU  19           HB2      LEU  19   9.121  -0.430   0.674
  126    HB3  LEU  19           HB1      LEU  19   8.484   1.019  -0.054
  127    HG   LEU  19           HG       LEU  19  11.037   1.046  -0.984
  128   HD11  LEU  19          HD11      LEU  19  11.628  -1.149  -1.745
  129   HD12  LEU  19          HD12      LEU  19  10.273  -1.843  -0.861
  130   HD13  LEU  19          HD13      LEU  19  11.606  -1.080   0.023
  131   HD21  LEU  19          HD21      LEU  19   8.684  -0.352  -2.196
  132   HD22  LEU  19          HD22      LEU  19  10.122   0.191  -3.060
  133   HD23  LEU  19          HD23      LEU  19   9.053   1.368  -2.295
  134    H    GLY  20           H        GLY  20   7.917   2.579   0.910
  135    HA2  GLY  20           HA2      GLY  20   6.598   2.070   3.437
  136    HA3  GLY  20           HA1      GLY  20   6.899   3.754   2.972
  137    H    CYS  21           H        CYS  21   4.293   2.713   3.215
  138    HA   CYS  21           HA       CYS  21   3.474   2.113   0.481
  139    HB2  CYS  21           HB2      CYS  21   2.555   0.706   2.215
  140    HB3  CYS  21           HB1      CYS  21   1.994   2.105   3.114
  141    H    LYS  22           H        LYS  22   2.689   3.698  -0.881
  142    HA   LYS  22           HA       LYS  22   1.690   6.071   0.427
  143    HB2  LYS  22           HB2      LYS  22   2.382   5.566  -2.452
  144    HB3  LYS  22           HB1      LYS  22   1.420   6.945  -1.949
  145    HG2  LYS  22           HG2      LYS  22   4.152   6.232  -1.158
  146    HG3  LYS  22           HG1      LYS  22   3.737   7.616  -2.196
  147    HD2  LYS  22           HD2      LYS  22   2.351   8.342  -0.072
  148    HD3  LYS  22           HD1      LYS  22   3.372   7.214   0.778
  149    HE2  LYS  22           HE2      LYS  22   4.261   9.666  -0.753
  150    HE3  LYS  22           HE1      LYS  22   4.351   9.405   0.987
  151    HZ1  LYS  22           HZ1      LYS  22   5.929   8.061  -1.127
  152    HZ2  LYS  22           HZ2      LYS  22   5.971   7.553   0.463
  153    HZ3  LYS  22           HZ3      LYS  22   6.543   9.063   0.065
  154    H    ARG  23           H        ARG  23  -0.184   6.158   0.902
  155    HA   ARG  23           HA       ARG  23  -2.067   4.189   0.089
  156    HB2  ARG  23           HB2      ARG  23  -2.325   6.619   1.825
  157    HB3  ARG  23           HB1      ARG  23  -3.665   5.559   1.471
  158    HG2  ARG  23           HG2      ARG  23  -2.862   4.962   3.609
  159    HG3  ARG  23           HG1      ARG  23  -2.330   3.706   2.484
  160    HD2  ARG  23           HD2      ARG  23  -0.098   4.562   2.517
  161    HD3  ARG  23           HD1      ARG  23  -0.604   5.963   3.469
  162    HE   ARG  23           HE       ARG  23  -1.418   3.927   4.968
  163   HH11  ARG  23          HH11      ARG  23   1.770   4.703   3.617
  164   HH12  ARG  23          HH12      ARG  23   2.608   3.834   4.824
  165   HH21  ARG  23          HH21      ARG  23  -0.199   2.799   6.626
  166   HH22  ARG  23          HH22      ARG  23   1.520   2.852   6.526
  167    H    LYS  24           H        LYS  24  -1.053   6.953  -1.320
  168    HA   LYS  24           HA       LYS  24  -3.687   7.780  -2.316
  169    HB2  LYS  24           HB2      LYS  24  -2.072   9.546  -1.721
  170    HB3  LYS  24           HB1      LYS  24  -0.922   8.882  -2.864
  171    HG2  LYS  24           HG2      LYS  24  -1.935  10.852  -3.792
  172    HG3  LYS  24           HG1      LYS  24  -2.452   9.444  -4.709
  173    HD2  LYS  24           HD2      LYS  24  -4.351  10.894  -4.390
  174    HD3  LYS  24           HD1      LYS  24  -4.585   9.451  -3.411
  175    HE2  LYS  24           HE2      LYS  24  -5.231  11.461  -2.184
  176    HE3  LYS  24           HE1      LYS  24  -3.849  10.689  -1.418
  177    HZ1  LYS  24           HZ1      LYS  24  -2.408  12.319  -2.412
  178    HZ2  LYS  24           HZ2      LYS  24  -3.614  13.120  -1.568
  179    HZ3  LYS  24           HZ3      LYS  24  -3.660  13.040  -3.249
  180    H    MET  25           H        MET  25  -0.921   6.021  -3.139
  181    HA   MET  25           HA       MET  25  -1.820   5.790  -5.901
  182    HB2  MET  25           HB2      MET  25   0.965   5.413  -4.746
  183    HB3  MET  25           HB1      MET  25   0.478   5.085  -6.371
  184    HG2  MET  25           HG2      MET  25  -0.005   7.813  -5.294
  185    HG3  MET  25           HG1      MET  25   1.624   7.350  -5.758
  186    HE1  MET  25           HE1      MET  25  -2.099   7.883  -6.998
  187    HE2  MET  25           HE2      MET  25  -1.844   6.291  -7.754
  188    HE3  MET  25           HE3      MET  25  -1.935   7.734  -8.741
  189    H    LYS  26           H        LYS  26  -1.755   4.197  -2.977
  190    HA   LYS  26           HA       LYS  26  -2.055   2.153  -2.225
  191    HB2  LYS  26           HB2      LYS  26  -3.140   1.664  -4.999
  192    HB3  LYS  26           HB1      LYS  26  -3.192   0.486  -3.723
  193    HG2  LYS  26           HG2      LYS  26  -5.345   1.599  -3.819
  194    HG3  LYS  26           HG1      LYS  26  -4.479   1.993  -2.328
  195    HD2  LYS  26           HD2      LYS  26  -3.793   4.086  -3.257
  196    HD3  LYS  26           HD1      LYS  26  -4.647   3.737  -4.751
  197    HE2  LYS  26           HE2      LYS  26  -6.003   5.193  -3.270
  198    HE3  LYS  26           HE1      LYS  26  -6.788   3.646  -3.582
  199    HZ1  LYS  26           HZ1      LYS  26  -6.938   4.285  -1.271
  200    HZ2  LYS  26           HZ2      LYS  26  -5.264   4.344  -1.117
  201    HZ3  LYS  26           HZ3      LYS  26  -6.047   2.869  -1.427
  202    H    TYR  27           H        TYR  27   0.349   2.874  -3.368
  203    HA   TYR  27           HA       TYR  27   1.383   0.211  -3.553
  204    HB2  TYR  27           HB2      TYR  27   2.856   0.530  -5.466
  205    HB3  TYR  27           HB1      TYR  27   1.174   0.610  -5.905
  206    HD1  TYR  27           HD1      TYR  27   3.920   2.986  -4.929
  207    HD2  TYR  27           HD2      TYR  27   0.679   2.158  -7.544
  208    HE1  TYR  27           HE1      TYR  27   4.449   4.994  -6.183
  209    HE2  TYR  27           HE2      TYR  27   1.183   4.189  -8.824
  210    HH   TYR  27           HH       TYR  27   2.273   6.307  -8.473
  211    H    CYS  28           H        CYS  28   3.521  -0.057  -3.331
  212    HA   CYS  28           HA       CYS  28   4.542   1.493  -1.216
  213    HB2  CYS  28           HB2      CYS  28   5.870  -0.651  -2.858
  214    HB3  CYS  28           HB1      CYS  28   6.383  -0.069  -1.274
  215    H    ALA  29           H        ALA  29   5.942   3.029  -1.228
  216    HA   ALA  29           HA       ALA  29   7.376   3.739  -3.673
  217    HB1  ALA  29           HB1      ALA  29   5.647   5.401  -3.126
  218    HB2  ALA  29           HB2      ALA  29   7.260   6.057  -2.888
  219    HB3  ALA  29           HB3      ALA  29   6.304   5.548  -1.493
  220    H    TRP  30           H        TRP  30   9.439   5.150  -2.745
  221    HA   TRP  30           HA       TRP  30  10.762   3.211  -1.127
  222    HB2  TRP  30           HB2      TRP  30  11.721   5.804  -2.306
  223    HB3  TRP  30           HB1      TRP  30  12.736   4.810  -1.275
  224    HD1  TRP  30           HD       TRP  30  11.679   5.182  -4.794
  225    HE1  TRP  30           HE1      TRP  30  12.602   3.192  -6.191
  226    HE3  TRP  30           HE3      TRP  30  13.077   2.317  -1.055
  227    HZ2  TRP  30           HZ2      TRP  30  13.792   0.675  -5.685
  228    HZ3  TRP  30           HZ3      TRP  30  14.144   0.054  -1.477
  229    HH2  TRP  30           HH       TRP  30  14.474  -0.718  -3.773
  230    H    ASP  31           H        ASP  31   8.691   5.448  -0.150
  231    HA   ASP  31           HA       ASP  31   9.510   5.437   2.514
  232    HB2  ASP  31           HB2      ASP  31   9.518   7.918   2.712
  233    HB3  ASP  31           HB1      ASP  31  10.872   7.269   1.785
  234    H    PHE  32           H        PHE  32   7.827   6.289   3.689
  235    HA   PHE  32           HA       PHE  32   5.247   6.396   2.250
  236    HB2  PHE  32           HB2      PHE  32   4.137   5.811   4.416
  237    HB3  PHE  32           HB1      PHE  32   5.175   4.552   3.786
  238    HD1  PHE  32           HD1      PHE  32   7.138   3.856   5.005
  239    HD2  PHE  32           HD2      PHE  32   4.752   7.078   6.429
  240    HE1  PHE  32           HE1      PHE  32   8.254   3.718   7.181
  241    HE2  PHE  32           HE2      PHE  32   5.870   6.938   8.610
  242    HZ   PHE  32           HZ       PHE  32   7.625   5.259   8.985
  243    H    THR  33           H        THR  33   7.291   8.045   4.466
  244    HA   THR  33           HA       THR  33   5.470   9.919   5.467
  245    HB   THR  33           HB       THR  33   8.478  10.134   5.198
  246    HG1  THR  33           HG1      THR  33   6.933   9.053   7.327
  247   HG21  THR  33          HG21      THR  33   6.525  11.310   7.180
  248   HG22  THR  33          HG22      THR  33   7.358  12.209   5.909
  249   HG23  THR  33          HG23      THR  33   8.278  11.503   7.244
  250    H    PHE  34           H        PHE  34   4.918  11.888   4.713
  251    HA   PHE  34           HA       PHE  34   5.508  12.537   1.988
  252    HB2  PHE  34           HB2      PHE  34   3.922  14.017   4.100
  253    HB3  PHE  34           HB1      PHE  34   4.029  14.499   2.411
  254    HD1  PHE  34           HD1      PHE  34   2.889  13.283   0.703
  255    HD2  PHE  34           HD2      PHE  34   2.656  12.059   4.757
  256    HE1  PHE  34           HE1      PHE  34   1.008  11.821   0.150
  257    HE2  PHE  34           HE2      PHE  34   0.768  10.585   4.211
  258    HZ   PHE  34           HZ       PHE  34  -0.057  10.467   1.898
  259    H    THR  35           H        THR  35   7.339  13.458   1.463
  260    HA   THR  35           HA       THR  35   8.384  15.654   3.014
  261    HB   THR  35           HB       THR  35   9.401  13.728   4.122
  262    HG1  THR  35           HG1      THR  35  11.357  14.943   2.440
  263   HG21  THR  35          HG21      THR  35  10.419  12.928   1.388
  264   HG22  THR  35          HG22      THR  35   9.220  12.067   2.349
  265   HG23  THR  35          HG23      THR  35  10.888  12.170   2.910
  Start of MODEL    2
    1    H1   ASP   1           HT1      ASP   1   6.675 -11.774   3.177
    2    H2   ASP   1           HT2      ASP   1   6.496 -13.202   2.269
    3    H3   ASP   1           HT3      ASP   1   5.279 -12.026   2.281
    4    HA   ASP   1           HA       ASP   1   7.994 -11.598   1.241
    5    HB2  ASP   1           HB2      ASP   1   7.011 -11.621  -0.987
    6    HB3  ASP   1           HB1      ASP   1   6.595 -13.133  -0.190
    7    H    CYS   2           H        CYS   2   8.338  -9.428   0.571
    8    HA   CYS   2           HA       CYS   2   6.157  -7.645   1.260
    9    HB2  CYS   2           HB2      CYS   2   7.860  -5.963   1.284
   10    HB3  CYS   2           HB1      CYS   2   8.073  -7.132   2.563
   11    H    ARG   3           H        ARG   3   5.922  -5.900   0.041
   12    HA   ARG   3           HA       ARG   3   6.273  -6.392  -2.805
   13    HB2  ARG   3           HB2      ARG   3   4.395  -4.745  -1.184
   14    HB3  ARG   3           HB1      ARG   3   4.774  -4.172  -2.797
   15    HG2  ARG   3           HG2      ARG   3   2.748  -5.470  -2.858
   16    HG3  ARG   3           HG1      ARG   3   4.028  -6.319  -3.714
   17    HD2  ARG   3           HD2      ARG   3   2.875  -7.941  -2.487
   18    HD3  ARG   3           HD1      ARG   3   4.375  -7.660  -1.601
   19    HE   ARG   3           HE       ARG   3   2.232  -6.065  -0.646
   20   HH11  ARG   3          HH11      ARG   3   3.623  -9.380  -0.417
   21   HH12  ARG   3          HH12      ARG   3   2.806  -9.738   1.015
   22   HH21  ARG   3          HH21      ARG   3   1.072  -6.715   1.428
   23   HH22  ARG   3          HH22      ARG   3   1.380  -8.252   2.029
   24    H    TYR   4           H        TYR   4   7.621  -5.200  -4.090
   25    HA   TYR   4           HA       TYR   4   9.269  -3.304  -2.798
   26    HB2  TYR   4           HB2      TYR   4   9.208  -4.557  -5.521
   27    HB3  TYR   4           HB1      TYR   4  10.289  -3.274  -5.128
   28    HD1  TYR   4           HD1      TYR   4  10.142  -6.703  -5.385
   29    HD2  TYR   4           HD2      TYR   4  11.598  -3.686  -2.746
   30    HE1  TYR   4           HE1      TYR   4  11.783  -8.286  -4.454
   31    HE2  TYR   4           HE2      TYR   4  13.224  -5.252  -1.839
   32    HH   TYR   4           HH       TYR   4  13.995  -8.127  -3.294
   33    H    MET   5           H        MET   5   9.728  -1.619  -5.005
   34    HA   MET   5           HA       MET   5   7.682   0.286  -4.520
   35    HB2  MET   5           HB2      MET   5  10.172   0.678  -5.271
   36    HB3  MET   5           HB1      MET   5   9.530   0.406  -6.880
   37    HG2  MET   5           HG2      MET   5   7.917   2.212  -6.521
   38    HG3  MET   5           HG1      MET   5   8.653   2.514  -4.950
   39    HE1  MET   5           HE1      MET   5   9.378   4.865  -5.191
   40    HE2  MET   5           HE2      MET   5   8.335   4.909  -6.624
   41    HE3  MET   5           HE3      MET   5   9.965   5.614  -6.672
   42    H    PHE   6           H        PHE   6   5.954   0.763  -5.549
   43    HA   PHE   6           HA       PHE   6   4.238   0.803  -6.954
   44    HB2  PHE   6           HB2      PHE   6   5.895  -0.749  -8.962
   45    HB3  PHE   6           HB1      PHE   6   4.361   0.045  -9.290
   46    HD1  PHE   6           HD1      PHE   6   4.249   2.570  -9.030
   47    HD2  PHE   6           HD2      PHE   6   7.900   0.405  -9.124
   48    HE1  PHE   6           HE1      PHE   6   5.466   4.639  -9.577
   49    HE2  PHE   6           HE2      PHE   6   9.118   2.440  -9.652
   50    HZ   PHE   6           HZ       PHE   6   7.911   4.569  -9.894
   51    H    GLY   7           H        GLY   7   5.382  -1.804  -5.438
   52    HA2  GLY   7           HA2      GLY   7   3.476  -3.751  -6.303
   53    HA3  GLY   7           HA1      GLY   7   4.439  -3.806  -4.826
   54    H    ASP   8           H        ASP   8   1.676  -4.440  -4.977
   55    HA   ASP   8           HA       ASP   8   0.108  -2.156  -4.240
   56    HB2  ASP   8           HB2      ASP   8  -0.847  -3.851  -5.440
   57    HB3  ASP   8           HB1      ASP   8  -0.492  -5.104  -4.240
   58    H    CYS   9           H        CYS   9  -0.754  -1.626  -2.299
   59    HA   CYS   9           HA       CYS   9   0.069  -3.182  -0.025
   60    HB2  CYS   9           HB2      CYS   9   1.321  -1.391   1.003
   61    HB3  CYS   9           HB1      CYS   9   1.892  -1.760  -0.642
   62    H    GLU  10           H        GLU  10  -1.056  -2.627   1.868
   63    HA   GLU  10           HA       GLU  10  -3.240  -0.692   1.565
   64    HB2  GLU  10           HB2      GLU  10  -2.940  -3.089   3.383
   65    HB3  GLU  10           HB1      GLU  10  -4.251  -1.930   3.493
   66    HG2  GLU  10           HG2      GLU  10  -3.666  -3.692   1.125
   67    HG3  GLU  10           HG1      GLU  10  -4.923  -3.973   2.333
   68    H    LYS  11           H        LYS  11  -0.573  -1.930   3.468
   69    HA   LYS  11           HA       LYS  11  -0.319   0.595   4.796
   70    HB2  LYS  11           HB2      LYS  11   0.085  -0.559   6.957
   71    HB3  LYS  11           HB1      LYS  11  -1.569  -0.640   6.391
   72    HG2  LYS  11           HG2      LYS  11  -1.110  -2.933   5.551
   73    HG3  LYS  11           HG1      LYS  11   0.491  -2.834   6.284
   74    HD2  LYS  11           HD2      LYS  11  -1.002  -4.017   7.760
   75    HD3  LYS  11           HD1      LYS  11  -0.573  -2.470   8.484
   76    HE2  LYS  11           HE2      LYS  11  -2.729  -1.525   7.695
   77    HE3  LYS  11           HE1      LYS  11  -3.143  -3.092   7.008
   78    HZ1  LYS  11           HZ1      LYS  11  -2.658  -2.558   9.888
   79    HZ2  LYS  11           HZ2      LYS  11  -3.171  -4.025   9.210
   80    HZ3  LYS  11           HZ3      LYS  11  -4.161  -2.673   9.149
   81    H    ASP  12           H        ASP  12   1.873   0.221   6.225
   82    HA   ASP  12           HA       ASP  12   3.802   0.025   4.111
   83    HB2  ASP  12           HB2      ASP  12   4.326   0.390   7.068
   84    HB3  ASP  12           HB1      ASP  12   5.483   0.631   5.769
   85    H    GLU  13           H        GLU  13   2.541  -2.124   6.353
   86    HA   GLU  13           HA       GLU  13   4.686  -3.926   6.791
   87    HB2  GLU  13           HB2      GLU  13   1.794  -4.607   6.520
   88    HB3  GLU  13           HB1      GLU  13   3.007  -5.579   7.323
   89    HG2  GLU  13           HG2      GLU  13   1.848  -2.959   8.233
   90    HG3  GLU  13           HG1      GLU  13   1.786  -4.516   9.041
   91    H    ASP  14           H        ASP  14   2.564  -3.367   4.185
   92    HA   ASP  14           HA       ASP  14   2.860  -5.879   2.899
   93    HB2  ASP  14           HB2      ASP  14   1.928  -3.213   1.814
   94    HB3  ASP  14           HB1      ASP  14   1.856  -4.770   0.992
   95    H    CYS  15           H        CYS  15   4.581  -2.923   2.983
   96    HA   CYS  15           HA       CYS  15   6.073  -3.476   0.558
   97    HB2  CYS  15           HB2      CYS  15   6.344  -1.197   2.497
   98    HB3  CYS  15           HB1      CYS  15   6.953  -1.285   0.853
   99    H    CYS  16           H        CYS  16   8.411  -3.409   0.643
  100    HA   CYS  16           HA       CYS  16   9.568  -4.900   2.711
  101    HB2  CYS  16           HB2      CYS  16  10.921  -3.290   0.558
  102    HB3  CYS  16           HB1      CYS  16  11.621  -4.571   1.463
  103    H    LYS  17           H        LYS  17  11.846  -3.982   3.432
  104    HA   LYS  17           HA       LYS  17  11.330  -2.328   5.654
  105    HB2  LYS  17           HB2      LYS  17  13.947  -3.034   4.361
  106    HB3  LYS  17           HB1      LYS  17  13.786  -2.254   5.924
  107    HG2  LYS  17           HG2      LYS  17  12.695  -4.935   5.207
  108    HG3  LYS  17           HG1      LYS  17  14.257  -4.640   5.984
  109    HD2  LYS  17           HD2      LYS  17  13.065  -3.527   7.858
  110    HD3  LYS  17           HD1      LYS  17  11.532  -3.891   7.073
  111    HE2  LYS  17           HE2      LYS  17  11.946  -5.507   8.824
  112    HE3  LYS  17           HE1      LYS  17  12.041  -6.291   7.250
  113    HZ1  LYS  17           HZ1      LYS  17  14.371  -5.398   8.853
  114    HZ2  LYS  17           HZ2      LYS  17  14.439  -6.238   7.383
  115    HZ3  LYS  17           HZ3      LYS  17  13.818  -6.987   8.748
  116    H    HIS  18           H        HIS  18  13.251  -1.688   2.881
  117    HA   HIS  18           HA       HIS  18  13.647   1.092   3.541
  118    HB2  HIS  18           HB2      HIS  18  14.431  -0.478   1.075
  119    HB3  HIS  18           HB1      HIS  18  14.798   1.223   1.290
  120    HD1  HIS  18           HD1      HIS  18  17.095   1.627   2.211
  121    HD2  HIS  18           HD2      HIS  18  15.575  -2.057   3.368
  122    HE1  HIS  18           HE1      HIS  18  18.929   0.488   3.516
  123    H    LEU  19           H        LEU  19  10.830   0.125   2.882
  124    HA   LEU  19           HA       LEU  19  10.213   2.184   0.865
  125    HB2  LEU  19           HB2      LEU  19   9.062  -0.608   1.016
  126    HB3  LEU  19           HB1      LEU  19   8.509   0.656  -0.058
  127    HG   LEU  19           HG       LEU  19  11.317  -0.462  -0.192
  128   HD11  LEU  19          HD11      LEU  19   9.672  -2.247  -0.578
  129   HD12  LEU  19          HD12      LEU  19  10.573  -1.775  -2.031
  130   HD13  LEU  19          HD13      LEU  19   8.913  -1.225  -1.809
  131   HD21  LEU  19          HD21      LEU  19  11.196   0.403  -2.470
  132   HD22  LEU  19          HD22      LEU  19  11.056   1.661  -1.251
  133   HD23  LEU  19          HD23      LEU  19   9.614   1.099  -2.114
  134    H    GLY  20           H        GLY  20   7.916   2.703   0.872
  135    HA2  GLY  20           HA2      GLY  20   6.498   2.241   3.374
  136    HA3  GLY  20           HA1      GLY  20   6.844   3.910   2.905
  137    H    CYS  21           H        CYS  21   4.267   2.591   3.112
  138    HA   CYS  21           HA       CYS  21   3.441   2.094   0.373
  139    HB2  CYS  21           HB2      CYS  21   2.561   0.652   2.108
  140    HB3  CYS  21           HB1      CYS  21   1.947   2.032   2.999
  141    H    LYS  22           H        LYS  22   2.584   3.599  -0.952
  142    HA   LYS  22           HA       LYS  22   1.797   6.126   0.206
  143    HB2  LYS  22           HB2      LYS  22   2.130   5.230  -2.632
  144    HB3  LYS  22           HB1      LYS  22   1.216   6.678  -2.244
  145    HG2  LYS  22           HG2      LYS  22   4.037   6.095  -1.582
  146    HG3  LYS  22           HG1      LYS  22   3.490   7.250  -2.820
  147    HD2  LYS  22           HD2      LYS  22   2.245   8.353  -0.830
  148    HD3  LYS  22           HD1      LYS  22   3.287   7.403   0.189
  149    HE2  LYS  22           HE2      LYS  22   4.157   9.466  -1.839
  150    HE3  LYS  22           HE1      LYS  22   4.282   9.586  -0.085
  151    HZ1  LYS  22           HZ1      LYS  22   5.878   7.594  -0.279
  152    HZ2  LYS  22           HZ2      LYS  22   6.406   9.057  -0.827
  153    HZ3  LYS  22           HZ3      LYS  22   5.894   7.926  -1.943
  154    H    ARG  23           H        ARG  23   0.000   6.377   0.943
  155    HA   ARG  23           HA       ARG  23  -2.156   4.580   0.469
  156    HB2  ARG  23           HB2      ARG  23  -1.886   7.080   2.104
  157    HB3  ARG  23           HB1      ARG  23  -3.427   6.273   1.905
  158    HG2  ARG  23           HG2      ARG  23  -2.497   5.628   3.981
  159    HG3  ARG  23           HG1      ARG  23  -2.409   4.242   2.873
  160    HD2  ARG  23           HD2      ARG  23  -0.031   4.695   2.566
  161    HD3  ARG  23           HD1      ARG  23  -0.169   6.085   3.636
  162    HE   ARG  23           HE       ARG  23  -1.187   3.975   5.064
  163   HH11  ARG  23          HH11      ARG  23   1.967   4.668   3.622
  164   HH12  ARG  23          HH12      ARG  23   2.839   3.820   4.815
  165   HH21  ARG  23          HH21      ARG  23   0.050   2.869   6.749
  166   HH22  ARG  23          HH22      ARG  23   1.764   2.875   6.624
  167    H    LYS  24           H        LYS  24  -1.030   7.180  -1.179
  168    HA   LYS  24           HA       LYS  24  -3.662   8.162  -1.973
  169    HB2  LYS  24           HB2      LYS  24  -1.754   9.744  -1.621
  170    HB3  LYS  24           HB1      LYS  24  -0.913   8.980  -2.958
  171    HG2  LYS  24           HG2      LYS  24  -1.886  11.018  -3.742
  172    HG3  LYS  24           HG1      LYS  24  -2.788   9.675  -4.445
  173    HD2  LYS  24           HD2      LYS  24  -4.514   9.951  -2.698
  174    HD3  LYS  24           HD1      LYS  24  -3.610  11.317  -2.051
  175    HE2  LYS  24           HE2      LYS  24  -5.398  12.164  -3.417
  176    HE3  LYS  24           HE1      LYS  24  -3.873  12.464  -4.235
  177    HZ1  LYS  24           HZ1      LYS  24  -5.748  10.249  -4.851
  178    HZ2  LYS  24           HZ2      LYS  24  -4.313  10.581  -5.705
  179    HZ3  LYS  24           HZ3      LYS  24  -5.590  11.663  -5.729
  180    H    MET  25           H        MET  25  -1.143   6.088  -2.937
  181    HA   MET  25           HA       MET  25  -2.231   5.903  -5.655
  182    HB2  MET  25           HB2      MET  25   0.571   5.326  -4.710
  183    HB3  MET  25           HB1      MET  25  -0.030   5.219  -6.340
  184    HG2  MET  25           HG2      MET  25   0.118   7.733  -4.705
  185    HG3  MET  25           HG1      MET  25   1.227   7.269  -5.994
  186    HE1  MET  25           HE1      MET  25   0.627   7.265  -8.539
  187    HE2  MET  25           HE2      MET  25  -0.998   7.545  -9.164
  188    HE3  MET  25           HE3      MET  25  -0.654   6.087  -8.233
  189    H    LYS  26           H        LYS  26  -1.557   4.211  -2.771
  190    HA   LYS  26           HA       LYS  26  -1.871   2.188  -1.993
  191    HB2  LYS  26           HB2      LYS  26  -3.379   1.608  -4.552
  192    HB3  LYS  26           HB1      LYS  26  -3.358   0.583  -3.130
  193    HG2  LYS  26           HG2      LYS  26  -4.524   3.356  -3.333
  194    HG3  LYS  26           HG1      LYS  26  -5.402   1.844  -3.110
  195    HD2  LYS  26           HD2      LYS  26  -3.399   2.994  -1.192
  196    HD3  LYS  26           HD1      LYS  26  -5.149   3.167  -0.996
  197    HE2  LYS  26           HE2      LYS  26  -3.551   0.584  -0.968
  198    HE3  LYS  26           HE1      LYS  26  -4.258   1.375   0.430
  199    HZ1  LYS  26           HZ1      LYS  26  -5.836   0.277  -1.843
  200    HZ2  LYS  26           HZ2      LYS  26  -6.450   0.854  -0.363
  201    HZ3  LYS  26           HZ3      LYS  26  -5.503  -0.533  -0.418
  202    H    TYR  27           H        TYR  27   0.372   2.815  -3.077
  203    HA   TYR  27           HA       TYR  27   1.376   0.162  -3.588
  204    HB2  TYR  27           HB2      TYR  27   2.792   0.580  -5.497
  205    HB3  TYR  27           HB1      TYR  27   1.126   0.845  -5.922
  206    HD1  TYR  27           HD1      TYR  27   4.129   2.789  -4.766
  207    HD2  TYR  27           HD2      TYR  27   0.709   2.709  -7.285
  208    HE1  TYR  27           HE1      TYR  27   4.830   4.914  -5.750
  209    HE2  TYR  27           HE2      TYR  27   1.395   4.853  -8.267
  210    HH   TYR  27           HH       TYR  27   4.507   6.240  -7.697
  211    H    CYS  28           H        CYS  28   3.634  -0.060  -3.519
  212    HA   CYS  28           HA       CYS  28   4.599   1.432  -1.272
  213    HB2  CYS  28           HB2      CYS  28   5.898  -0.783  -2.850
  214    HB3  CYS  28           HB1      CYS  28   6.471  -0.140  -1.313
  215    H    ALA  29           H        ALA  29   5.955   3.009  -1.269
  216    HA   ALA  29           HA       ALA  29   7.486   3.661  -3.677
  217    HB1  ALA  29           HB1      ALA  29   7.267   6.018  -2.962
  218    HB2  ALA  29           HB2      ALA  29   6.240   5.504  -1.628
  219    HB3  ALA  29           HB3      ALA  29   5.694   5.295  -3.293
  220    H    TRP  30           H        TRP  30   9.269   5.436  -2.541
  221    HA   TRP  30           HA       TRP  30  10.754   3.589  -0.969
  222    HB2  TRP  30           HB2      TRP  30  11.473   6.328  -1.970
  223    HB3  TRP  30           HB1      TRP  30  12.549   5.355  -0.981
  224    HD1  TRP  30           HD       TRP  30  11.515   5.849  -4.510
  225    HE1  TRP  30           HE1      TRP  30  12.622   4.050  -5.989
  226    HE3  TRP  30           HE3      TRP  30  13.159   2.912  -0.911
  227    HZ2  TRP  30           HZ2      TRP  30  14.046   1.611  -5.610
  228    HZ3  TRP  30           HZ3      TRP  30  14.442   0.797  -1.445
  229    HH2  TRP  30           HH       TRP  30  14.854   0.188  -3.769
  230    H    ASP  31           H        ASP  31   8.456   5.713  -0.066
  231    HA   ASP  31           HA       ASP  31   8.969   5.400   2.641
  232    HB2  ASP  31           HB2      ASP  31  10.572   7.191   1.966
  233    HB3  ASP  31           HB1      ASP  31   9.208   8.206   1.496
  234    H    PHE  32           H        PHE  32   7.201   6.529   3.665
  235    HA   PHE  32           HA       PHE  32   4.771   6.327   2.072
  236    HB2  PHE  32           HB2      PHE  32   3.553   6.552   4.219
  237    HB3  PHE  32           HB1      PHE  32   4.743   5.263   4.278
  238    HD1  PHE  32           HD1      PHE  32   6.792   5.535   5.614
  239    HD2  PHE  32           HD2      PHE  32   3.729   8.499   5.631
  240    HE1  PHE  32           HE1      PHE  32   7.739   6.507   7.656
  241    HE2  PHE  32           HE2      PHE  32   4.672   9.462   7.674
  242    HZ   PHE  32           HZ       PHE  32   6.681   8.472   8.693
  243    H    THR  33           H        THR  33   6.892   8.685   3.220
  244    HA   THR  33           HA       THR  33   5.007  10.880   3.093
  245    HB   THR  33           HB       THR  33   8.004  11.113   3.384
  246    HG1  THR  33           HG1      THR  33   7.451   9.543   4.826
  247   HG21  THR  33          HG21      THR  33   7.372  12.998   4.833
  248   HG22  THR  33          HG22      THR  33   5.671  12.585   4.605
  249   HG23  THR  33          HG23      THR  33   6.627  13.160   3.236
  250    H    PHE  34           H        PHE  34   5.373  12.613   1.554
  251    HA   PHE  34           HA       PHE  34   7.063  11.934  -0.737
  252    HB2  PHE  34           HB2      PHE  34   4.638  11.669  -1.264
  253    HB3  PHE  34           HB1      PHE  34   4.381  13.351  -0.816
  254    HD1  PHE  34           HD1      PHE  34   5.938  11.100  -3.262
  255    HD2  PHE  34           HD2      PHE  34   4.930  15.124  -2.328
  256    HE1  PHE  34           HE1      PHE  34   6.445  11.762  -5.568
  257    HE2  PHE  34           HE2      PHE  34   5.442  15.792  -4.636
  258    HZ   PHE  34           HZ       PHE  34   6.201  14.110  -6.260
  259    H    THR  35           H        THR  35   8.749  13.244  -0.292
  260    HA   THR  35           HA       THR  35   8.259  16.090  -0.339
  261    HB   THR  35           HB       THR  35   9.763  14.836   1.987
  262    HG1  THR  35           HG1      THR  35   7.185  15.435   1.589
  263   HG21  THR  35          HG21      THR  35   9.130  17.737   1.383
  264   HG22  THR  35          HG22      THR  35  10.727  16.995   1.275
  265   HG23  THR  35          HG23      THR  35   9.925  17.139   2.840
  Start of MODEL    3
    1    H1   ASP   1           HT1      ASP   1   6.607 -13.313   1.566
    2    H2   ASP   1           HT2      ASP   1   5.187 -12.404   1.430
    3    H3   ASP   1           HT3      ASP   1   6.395 -11.882   2.436
    4    HA   ASP   1           HA       ASP   1   7.833 -11.479   0.585
    5    HB2  ASP   1           HB2      ASP   1   6.956 -11.615  -1.703
    6    HB3  ASP   1           HB1      ASP   1   6.843 -13.196  -0.945
    7    H    CYS   2           H        CYS   2   7.940  -9.334   0.215
    8    HA   CYS   2           HA       CYS   2   5.689  -7.724   1.132
    9    HB2  CYS   2           HB2      CYS   2   7.305  -6.024   1.308
   10    HB3  CYS   2           HB1      CYS   2   7.961  -7.451   2.093
   11    H    ARG   3           H        ARG   3   5.934  -5.567  -0.008
   12    HA   ARG   3           HA       ARG   3   6.076  -6.009  -2.869
   13    HB2  ARG   3           HB2      ARG   3   4.349  -4.178  -1.256
   14    HB3  ARG   3           HB1      ARG   3   4.701  -3.796  -2.930
   15    HG2  ARG   3           HG2      ARG   3   2.625  -4.909  -2.958
   16    HG3  ARG   3           HG1      ARG   3   3.797  -6.121  -3.473
   17    HD2  ARG   3           HD2      ARG   3   3.886  -6.909  -1.119
   18    HD3  ARG   3           HD1      ARG   3   2.578  -5.763  -0.787
   19    HE   ARG   3           HE       ARG   3   1.126  -7.024  -2.081
   20   HH11  ARG   3          HH11      ARG   3   4.333  -8.520  -1.957
   21   HH12  ARG   3          HH12      ARG   3   3.789 -10.110  -2.156
   22   HH21  ARG   3          HH21      ARG   3   0.339  -9.258  -2.372
   23   HH22  ARG   3          HH22      ARG   3   1.459 -10.530  -2.421
   24    H    TYR   4           H        TYR   4   7.408  -4.831  -3.996
   25    HA   TYR   4           HA       TYR   4   9.094  -3.014  -2.589
   26    HB2  TYR   4           HB2      TYR   4   9.210  -4.498  -5.193
   27    HB3  TYR   4           HB1      TYR   4  10.368  -3.258  -4.751
   28    HD1  TYR   4           HD1      TYR   4  11.511  -3.572  -2.413
   29    HD2  TYR   4           HD2      TYR   4   9.657  -6.721  -4.588
   30    HE1  TYR   4           HE1      TYR   4  12.806  -5.208  -1.124
   31    HE2  TYR   4           HE2      TYR   4  10.953  -8.373  -3.299
   32    HH   TYR   4           HH       TYR   4  13.119  -8.399  -2.030
   33    H    MET   5           H        MET   5   9.727  -1.569  -5.076
   34    HA   MET   5           HA       MET   5   7.681   0.362  -4.709
   35    HB2  MET   5           HB2      MET   5  10.170   0.758  -5.392
   36    HB3  MET   5           HB1      MET   5   9.604   0.431  -7.016
   37    HG2  MET   5           HG2      MET   5   7.968   2.235  -6.802
   38    HG3  MET   5           HG1      MET   5   8.565   2.565  -5.178
   39    HE1  MET   5           HE1      MET   5   8.373   4.977  -6.808
   40    HE2  MET   5           HE2      MET   5  10.002   5.675  -6.771
   41    HE3  MET   5           HE3      MET   5   9.332   4.937  -5.320
   42    H    PHE   6           H        PHE   6   5.992   0.855  -5.827
   43    HA   PHE   6           HA       PHE   6   4.290   0.798  -7.282
   44    HB2  PHE   6           HB2      PHE   6   6.072  -0.856  -9.109
   45    HB3  PHE   6           HB1      PHE   6   4.501  -0.205  -9.559
   46    HD1  PHE   6           HD1      PHE   6   8.015   0.501  -9.057
   47    HD2  PHE   6           HD2      PHE   6   4.214   2.237  -9.835
   48    HE1  PHE   6           HE1      PHE   6   9.122   2.555  -9.745
   49    HE2  PHE   6           HE2      PHE   6   5.314   4.322 -10.549
   50    HZ   PHE   6           HZ       PHE   6   7.774   4.492 -10.510
   51    H    GLY   7           H        GLY   7   5.318  -1.577  -5.464
   52    HA2  GLY   7           HA2      GLY   7   3.413  -3.590  -6.279
   53    HA3  GLY   7           HA1      GLY   7   4.460  -3.654  -4.865
   54    H    ASP   8           H        ASP   8   1.668  -4.195  -4.963
   55    HA   ASP   8           HA       ASP   8   0.093  -1.941  -4.170
   56    HB2  ASP   8           HB2      ASP   8  -0.978  -3.573  -5.300
   57    HB3  ASP   8           HB1      ASP   8  -0.339  -4.871  -4.281
   58    H    CYS   9           H        CYS   9  -0.671  -1.386  -2.235
   59    HA   CYS   9           HA       CYS   9   0.154  -2.951   0.061
   60    HB2  CYS   9           HB2      CYS   9   1.453  -1.215   1.052
   61    HB3  CYS   9           HB1      CYS   9   1.955  -1.493  -0.630
   62    H    GLU  10           H        GLU  10  -1.048  -2.520   1.915
   63    HA   GLU  10           HA       GLU  10  -3.180  -0.510   1.674
   64    HB2  GLU  10           HB2      GLU  10  -2.975  -2.865   3.540
   65    HB3  GLU  10           HB1      GLU  10  -4.345  -1.789   3.353
   66    HG2  GLU  10           HG2      GLU  10  -4.684  -2.631   1.094
   67    HG3  GLU  10           HG1      GLU  10  -3.302  -3.714   1.305
   68    H    LYS  11           H        LYS  11  -0.537  -1.896   3.507
   69    HA   LYS  11           HA       LYS  11  -0.475   0.374   5.302
   70    HB2  LYS  11           HB2      LYS  11  -0.101  -1.170   7.136
   71    HB3  LYS  11           HB1      LYS  11  -1.668  -1.453   6.415
   72    HG2  LYS  11           HG2      LYS  11  -0.238  -3.231   5.019
   73    HG3  LYS  11           HG1      LYS  11   0.771  -3.114   6.458
   74    HD2  LYS  11           HD2      LYS  11  -0.663  -4.887   6.939
   75    HD3  LYS  11           HD1      LYS  11  -1.400  -3.505   7.752
   76    HE2  LYS  11           HE2      LYS  11  -3.147  -4.734   6.632
   77    HE3  LYS  11           HE1      LYS  11  -2.903  -3.213   5.779
   78    HZ1  LYS  11           HZ1      LYS  11  -3.124  -5.011   4.196
   79    HZ2  LYS  11           HZ2      LYS  11  -1.925  -5.899   4.952
   80    HZ3  LYS  11           HZ3      LYS  11  -1.512  -4.484   4.125
   81    H    ASP  12           H        ASP  12   1.645   0.035   6.525
   82    HA   ASP  12           HA       ASP  12   3.674   0.040   4.460
   83    HB2  ASP  12           HB2      ASP  12   4.005   0.441   7.432
   84    HB3  ASP  12           HB1      ASP  12   5.297   0.643   6.252
   85    H    GLU  13           H        GLU  13   2.466  -2.241   6.518
   86    HA   GLU  13           HA       GLU  13   4.718  -3.948   6.952
   87    HB2  GLU  13           HB2      GLU  13   1.819  -4.664   6.753
   88    HB3  GLU  13           HB1      GLU  13   3.068  -5.655   7.440
   89    HG2  GLU  13           HG2      GLU  13   3.455  -4.139   9.266
   90    HG3  GLU  13           HG1      GLU  13   2.371  -2.945   8.560
   91    H    ASP  14           H        ASP  14   2.539  -3.366   4.360
   92    HA   ASP  14           HA       ASP  14   2.873  -5.882   3.068
   93    HB2  ASP  14           HB2      ASP  14   1.819  -3.273   1.910
   94    HB3  ASP  14           HB1      ASP  14   1.805  -4.868   1.163
   95    H    CYS  15           H        CYS  15   4.575  -2.902   3.133
   96    HA   CYS  15           HA       CYS  15   6.086  -3.549   0.723
   97    HB2  CYS  15           HB2      CYS  15   6.451  -1.149   2.492
   98    HB3  CYS  15           HB1      CYS  15   6.902  -1.357   0.817
   99    H    CYS  16           H        CYS  16   8.359  -3.651   0.816
  100    HA   CYS  16           HA       CYS  16   9.439  -4.735   3.175
  101    HB2  CYS  16           HB2      CYS  16  10.540  -4.189   0.497
  102    HB3  CYS  16           HB1      CYS  16  11.660  -4.329   1.769
  103    H    LYS  17           H        LYS  17  11.762  -3.982   3.470
  104    HA   LYS  17           HA       LYS  17  11.709  -2.210   5.581
  105    HB2  LYS  17           HB2      LYS  17  14.115  -2.850   3.912
  106    HB3  LYS  17           HB1      LYS  17  14.090  -2.336   5.593
  107    HG2  LYS  17           HG2      LYS  17  12.872  -4.311   6.163
  108    HG3  LYS  17           HG1      LYS  17  12.956  -4.884   4.506
  109    HD2  LYS  17           HD2      LYS  17  15.432  -4.826   4.628
  110    HD3  LYS  17           HD1      LYS  17  15.310  -4.382   6.330
  111    HE2  LYS  17           HE2      LYS  17  14.169  -6.460   6.829
  112    HE3  LYS  17           HE1      LYS  17  14.192  -6.905   5.126
  113    HZ1  LYS  17           HZ1      LYS  17  15.942  -8.002   6.374
  114    HZ2  LYS  17           HZ2      LYS  17  16.586  -6.537   6.849
  115    HZ3  LYS  17           HZ3      LYS  17  16.603  -6.985   5.212
  116    H    HIS  18           H        HIS  18  13.284  -1.649   2.593
  117    HA   HIS  18           HA       HIS  18  13.891   1.122   3.197
  118    HB2  HIS  18           HB2      HIS  18  14.266  -0.340   0.576
  119    HB3  HIS  18           HB1      HIS  18  14.931   1.235   0.973
  120    HD1  HIS  18           HD1      HIS  18  15.871  -2.215   0.889
  121    HD2  HIS  18           HD2      HIS  18  16.712   1.010   3.362
  122    HE1  HIS  18           HE1      HIS  18  17.960  -2.837   2.153
  123    H    LEU  19           H        LEU  19  10.986   0.180   2.685
  124    HA   LEU  19           HA       LEU  19  10.302   2.413   0.935
  125    HB2  LEU  19           HB2      LEU  19   9.217  -0.390   0.702
  126    HB3  LEU  19           HB1      LEU  19   8.510   0.996  -0.087
  127    HG   LEU  19           HG       LEU  19  11.034   1.140  -1.030
  128   HD11  LEU  19          HD11      LEU  19  11.774  -1.072  -1.693
  129   HD12  LEU  19          HD12      LEU  19  10.523  -1.797  -0.685
  130   HD13  LEU  19          HD13      LEU  19  11.820  -0.853   0.058
  131   HD21  LEU  19          HD21      LEU  19   8.791  -0.499  -2.151
  132   HD22  LEU  19          HD22      LEU  19  10.180   0.100  -3.055
  133   HD23  LEU  19          HD23      LEU  19   9.032   1.236  -2.348
  134    H    GLY  20           H        GLY  20   7.870   2.647   0.962
  135    HA2  GLY  20           HA2      GLY  20   6.617   1.929   3.472
  136    HA3  GLY  20           HA1      GLY  20   6.845   3.652   3.128
  137    H    CYS  21           H        CYS  21   4.281   2.520   3.358
  138    HA   CYS  21           HA       CYS  21   3.422   1.976   0.645
  139    HB2  CYS  21           HB2      CYS  21   2.479   0.616   2.395
  140    HB3  CYS  21           HB1      CYS  21   1.916   2.044   3.254
  141    H    LYS  22           H        LYS  22   2.575   3.429  -0.714
  142    HA   LYS  22           HA       LYS  22   1.636   5.917   0.426
  143    HB2  LYS  22           HB2      LYS  22   2.236   5.187  -2.424
  144    HB3  LYS  22           HB1      LYS  22   1.501   6.704  -1.924
  145    HG2  LYS  22           HG2      LYS  22   4.073   5.635  -1.024
  146    HG3  LYS  22           HG1      LYS  22   3.933   6.874  -2.297
  147    HD2  LYS  22           HD2      LYS  22   2.803   8.316  -0.568
  148    HD3  LYS  22           HD1      LYS  22   3.146   7.075   0.625
  149    HE2  LYS  22           HE2      LYS  22   5.539   7.284   0.241
  150    HE3  LYS  22           HE1      LYS  22   5.255   8.455  -1.039
  151    HZ1  LYS  22           HZ1      LYS  22   4.505  10.039   0.560
  152    HZ2  LYS  22           HZ2      LYS  22   5.968   9.373   1.117
  153    HZ3  LYS  22           HZ3      LYS  22   4.516   8.896   1.804
  154    H    ARG  23           H        ARG  23  -0.222   5.829   1.039
  155    HA   ARG  23           HA       ARG  23  -2.130   3.973   0.064
  156    HB2  ARG  23           HB2      ARG  23  -2.447   6.283   1.974
  157    HB3  ARG  23           HB1      ARG  23  -3.704   5.122   1.606
  158    HG2  ARG  23           HG2      ARG  23  -2.862   4.291   3.614
  159    HG3  ARG  23           HG1      ARG  23  -1.956   3.402   2.375
  160    HD2  ARG  23           HD2      ARG  23  -0.017   4.645   2.734
  161    HD3  ARG  23           HD1      ARG  23  -0.869   5.846   3.716
  162    HE   ARG  23           HE       ARG  23  -1.368   3.679   5.106
  163   HH11  ARG  23          HH11      ARG  23   1.788   4.649   3.758
  164   HH12  ARG  23          HH12      ARG  23   2.640   3.810   4.971
  165   HH21  ARG  23          HH21      ARG  23  -0.143   2.648   6.730
  166   HH22  ARG  23          HH22      ARG  23   1.572   2.770   6.706
  167    H    LYS  24           H        LYS  24  -1.029   6.711  -1.260
  168    HA   LYS  24           HA       LYS  24  -3.634   7.770  -2.078
  169    HB2  LYS  24           HB2      LYS  24  -0.854   8.755  -2.777
  170    HB3  LYS  24           HB1      LYS  24  -2.363   9.584  -3.127
  171    HG2  LYS  24           HG2      LYS  24  -1.191   9.060  -0.398
  172    HG3  LYS  24           HG1      LYS  24  -1.279  10.614  -1.229
  173    HD2  LYS  24           HD2      LYS  24  -3.715  10.528  -1.156
  174    HD3  LYS  24           HD1      LYS  24  -3.642   8.942  -0.387
  175    HE2  LYS  24           HE2      LYS  24  -2.450   9.962   1.513
  176    HE3  LYS  24           HE1      LYS  24  -2.642  11.541   0.759
  177    HZ1  LYS  24           HZ1      LYS  24  -5.033  11.264   0.875
  178    HZ2  LYS  24           HZ2      LYS  24  -4.351  11.124   2.414
  179    HZ3  LYS  24           HZ3      LYS  24  -4.843   9.745   1.579
  180    H    MET  25           H        MET  25  -0.945   5.956  -3.148
  181    HA   MET  25           HA       MET  25  -2.066   5.851  -5.841
  182    HB2  MET  25           HB2      MET  25   0.784   5.460  -4.942
  183    HB3  MET  25           HB1      MET  25   0.178   5.197  -6.542
  184    HG2  MET  25           HG2      MET  25   0.133   7.835  -5.104
  185    HG3  MET  25           HG1      MET  25   1.280   7.359  -6.354
  186    HE1  MET  25           HE1      MET  25   0.600   6.938  -8.909
  187    HE2  MET  25           HE2      MET  25  -1.041   7.113  -9.527
  188    HE3  MET  25           HE3      MET  25  -0.652   5.788  -8.433
  189    H    LYS  26           H        LYS  26  -1.692   4.126  -3.043
  190    HA   LYS  26           HA       LYS  26  -1.991   2.024  -2.374
  191    HB2  LYS  26           HB2      LYS  26  -3.036   1.485  -5.163
  192    HB3  LYS  26           HB1      LYS  26  -3.212   0.419  -3.782
  193    HG2  LYS  26           HG2      LYS  26  -4.456   3.118  -4.184
  194    HG3  LYS  26           HG1      LYS  26  -5.269   1.558  -3.994
  195    HD2  LYS  26           HD2      LYS  26  -4.305   1.405  -1.716
  196    HD3  LYS  26           HD1      LYS  26  -3.636   3.017  -1.949
  197    HE2  LYS  26           HE2      LYS  26  -5.934   3.884  -2.282
  198    HE3  LYS  26           HE1      LYS  26  -6.561   2.274  -1.932
  199    HZ1  LYS  26           HZ1      LYS  26  -5.521   2.435   0.285
  200    HZ2  LYS  26           HZ2      LYS  26  -6.642   3.665   0.024
  201    HZ3  LYS  26           HZ3      LYS  26  -5.009   3.995  -0.098
  202    H    TYR  27           H        TYR  27   0.425   2.826  -3.353
  203    HA   TYR  27           HA       TYR  27   1.521   0.204  -3.622
  204    HB2  TYR  27           HB2      TYR  27   3.024   0.562  -5.484
  205    HB3  TYR  27           HB1      TYR  27   1.364   0.704  -5.992
  206    HD1  TYR  27           HD1      TYR  27   0.777   2.537  -7.340
  207    HD2  TYR  27           HD2      TYR  27   4.339   2.775  -5.028
  208    HE1  TYR  27           HE1      TYR  27   1.395   4.615  -8.491
  209    HE2  TYR  27           HE2      TYR  27   4.951   4.852  -6.165
  210    HH   TYR  27           HH       TYR  27   4.481   5.914  -8.333
  211    H    CYS  28           H        CYS  28   3.747   0.048  -3.423
  212    HA   CYS  28           HA       CYS  28   4.591   1.676  -1.224
  213    HB2  CYS  28           HB2      CYS  28   6.044  -0.562  -2.624
  214    HB3  CYS  28           HB1      CYS  28   6.419   0.111  -1.041
  215    H    ALA  29           H        ALA  29   5.957   3.259  -1.266
  216    HA   ALA  29           HA       ALA  29   7.577   3.767  -3.661
  217    HB1  ALA  29           HB1      ALA  29   6.399   5.734  -1.676
  218    HB2  ALA  29           HB2      ALA  29   5.886   5.514  -3.351
  219    HB3  ALA  29           HB3      ALA  29   7.494   6.154  -2.995
  220    H    TRP  30           H        TRP  30   9.467   5.467  -2.552
  221    HA   TRP  30           HA       TRP  30  10.846   3.513  -1.024
  222    HB2  TRP  30           HB2      TRP  30  11.710   6.235  -1.934
  223    HB3  TRP  30           HB1      TRP  30  12.747   5.130  -1.047
  224    HD1  TRP  30           HD       TRP  30  11.759   6.033  -4.425
  225    HE1  TRP  30           HE1      TRP  30  12.661   4.266  -6.117
  226    HE3  TRP  30           HE3      TRP  30  12.959   2.545  -1.177
  227    HZ2  TRP  30           HZ2      TRP  30  13.738   1.659  -5.990
  228    HZ3  TRP  30           HZ3      TRP  30  13.943   0.349  -1.938
  229    HH2  TRP  30           HH       TRP  30  14.310  -0.054  -4.319
  230    H    ASP  31           H        ASP  31   8.577   5.538   0.018
  231    HA   ASP  31           HA       ASP  31   9.474   5.515   2.661
  232    HB2  ASP  31           HB2      ASP  31   9.440   7.861   3.061
  233    HB3  ASP  31           HB1      ASP  31  10.515   7.558   1.694
  234    H    PHE  32           H        PHE  32   7.755   5.994   3.910
  235    HA   PHE  32           HA       PHE  32   5.160   5.995   2.562
  236    HB2  PHE  32           HB2      PHE  32   4.183   5.633   4.901
  237    HB3  PHE  32           HB1      PHE  32   5.090   4.311   4.207
  238    HD1  PHE  32           HD1      PHE  32   7.158   3.572   5.218
  239    HD2  PHE  32           HD2      PHE  32   5.021   6.882   6.799
  240    HE1  PHE  32           HE1      PHE  32   8.471   3.419   7.281
  241    HE2  PHE  32           HE2      PHE  32   6.343   6.747   8.873
  242    HZ   PHE  32           HZ       PHE  32   8.069   5.008   9.114
  243    H    THR  33           H        THR  33   7.197   7.940   4.546
  244    HA   THR  33           HA       THR  33   6.051  10.303   3.681
  245    HB   THR  33           HB       THR  33   4.335   9.648   5.499
  246    HG1  THR  33           HG1      THR  33   4.093  11.667   5.957
  247   HG21  THR  33          HG21      THR  33   5.937   8.617   7.084
  248   HG22  THR  33          HG22      THR  33   4.991   9.902   7.836
  249   HG23  THR  33          HG23      THR  33   6.658  10.204   7.351
  250    H    PHE  34           H        PHE  34   7.306  12.100   4.768
  251    HA   PHE  34           HA       PHE  34  10.059  11.378   4.999
  252    HB2  PHE  34           HB2      PHE  34   9.309  13.501   3.971
  253    HB3  PHE  34           HB1      PHE  34   8.669  14.024   5.520
  254    HD1  PHE  34           HD1      PHE  34  10.144  14.847   7.247
  255    HD2  PHE  34           HD2      PHE  34  11.697  13.446   3.545
  256    HE1  PHE  34           HE1      PHE  34  12.304  15.901   7.764
  257    HE2  PHE  34           HE2      PHE  34  13.864  14.496   4.059
  258    HZ   PHE  34           HZ       PHE  34  14.168  15.722   6.168
  259    H    THR  35           H        THR  35  10.697  10.347   6.786
  260    HA   THR  35           HA       THR  35   9.591  11.153   9.355
  261    HB   THR  35           HB       THR  35  10.682   8.968  10.107
  262    HG1  THR  35           HG1      THR  35  11.584   7.762   8.640
  263   HG21  THR  35          HG21      THR  35   8.838   7.606   9.211
  264   HG22  THR  35          HG22      THR  35   8.500   8.856   8.015
  265   HG23  THR  35          HG23      THR  35   8.259   9.189   9.729
  Start of MODEL    4
    1    H1   ASP   1           HT1      ASP   1   8.069 -13.745   1.399
    2    H2   ASP   1           HT2      ASP   1   6.661 -12.871   1.082
    3    H3   ASP   1           HT3      ASP   1   7.554 -12.518   2.455
    4    HA   ASP   1           HA       ASP   1   9.377 -11.729   1.078
    5    HB2  ASP   1           HB2      ASP   1   9.042 -11.435  -1.312
    6    HB3  ASP   1           HB1      ASP   1   8.741 -13.125  -0.935
    7    H    CYS   2           H        CYS   2   9.336  -9.388   0.522
    8    HA   CYS   2           HA       CYS   2   6.834  -8.234   1.410
    9    HB2  CYS   2           HB2      CYS   2   8.192  -6.196   1.580
   10    HB3  CYS   2           HB1      CYS   2   8.593  -7.439   2.748
   11    H    ARG   3           H        ARG   3   6.212  -6.344   0.398
   12    HA   ARG   3           HA       ARG   3   6.276  -6.771  -2.461
   13    HB2  ARG   3           HB2      ARG   3   4.181  -6.301  -1.039
   14    HB3  ARG   3           HB1      ARG   3   4.716  -4.631  -1.019
   15    HG2  ARG   3           HG2      ARG   3   3.034  -4.988  -2.735
   16    HG3  ARG   3           HG1      ARG   3   4.599  -4.561  -3.443
   17    HD2  ARG   3           HD2      ARG   3   3.448  -6.411  -4.647
   18    HD3  ARG   3           HD1      ARG   3   5.029  -6.861  -4.037
   19    HE   ARG   3           HE       ARG   3   2.478  -7.619  -2.747
   20   HH11  ARG   3          HH11      ARG   3   5.828  -8.431  -3.592
   21   HH12  ARG   3          HH12      ARG   3   5.765 -10.001  -2.926
   22   HH21  ARG   3          HH21      ARG   3   2.373  -9.779  -1.901
   23   HH22  ARG   3          HH22      ARG   3   3.723 -10.806  -2.005
   24    H    TYR   4           H        TYR   4   7.421  -5.489  -3.901
   25    HA   TYR   4           HA       TYR   4   9.108  -3.518  -2.744
   26    HB2  TYR   4           HB2      TYR   4   8.964  -4.892  -5.393
   27    HB3  TYR   4           HB1      TYR   4  10.111  -3.641  -5.038
   28    HD1  TYR   4           HD1      TYR   4  11.394  -4.117  -2.576
   29    HD2  TYR   4           HD2      TYR   4   9.810  -7.045  -5.258
   30    HE1  TYR   4           HE1      TYR   4  12.924  -5.753  -1.688
   31    HE2  TYR   4           HE2      TYR   4  11.354  -8.706  -4.319
   32    HH   TYR   4           HH       TYR   4  13.527  -8.751  -3.116
   33    H    MET   5           H        MET   5   9.544  -1.962  -5.018
   34    HA   MET   5           HA       MET   5   7.603   0.067  -4.569
   35    HB2  MET   5           HB2      MET   5  10.109   0.294  -5.284
   36    HB3  MET   5           HB1      MET   5   9.475   0.067  -6.904
   37    HG2  MET   5           HG2      MET   5   8.046   1.987  -6.661
   38    HG3  MET   5           HG1      MET   5   8.574   2.174  -4.989
   39    HE1  MET   5           HE1      MET   5  10.240   5.262  -6.599
   40    HE2  MET   5           HE2      MET   5   9.339   4.648  -5.221
   41    HE3  MET   5           HE3      MET   5   8.610   4.610  -6.835
   42    H    PHE   6           H        PHE   6   5.985   0.799  -5.701
   43    HA   PHE   6           HA       PHE   6   4.279   0.934  -7.139
   44    HB2  PHE   6           HB2      PHE   6   5.969  -0.714  -9.035
   45    HB3  PHE   6           HB1      PHE   6   4.449   0.063  -9.462
   46    HD1  PHE   6           HD1      PHE   6   4.308   2.529  -9.498
   47    HD2  PHE   6           HD2      PHE   6   7.982   0.483  -8.931
   48    HE1  PHE   6           HE1      PHE   6   5.541   4.585 -10.073
   49    HE2  PHE   6           HE2      PHE   6   9.222   2.497  -9.476
   50    HZ   PHE   6           HZ       PHE   6   8.006   4.575 -10.069
   51    H    GLY   7           H        GLY   7   5.021  -1.588  -5.457
   52    HA2  GLY   7           HA2      GLY   7   2.996  -3.350  -6.509
   53    HA3  GLY   7           HA1      GLY   7   4.004  -3.634  -5.089
   54    H    ASP   8           H        ASP   8   1.055  -3.593  -5.661
   55    HA   ASP   8           HA       ASP   8  -0.297  -1.495  -4.399
   56    HB2  ASP   8           HB2      ASP   8  -1.435  -2.962  -5.720
   57    HB3  ASP   8           HB1      ASP   8  -0.994  -4.390  -4.779
   58    H    CYS   9           H        CYS   9  -1.068  -1.189  -2.367
   59    HA   CYS   9           HA       CYS   9  -0.145  -3.032  -0.332
   60    HB2  CYS   9           HB2      CYS   9   1.218  -1.420   0.813
   61    HB3  CYS   9           HB1      CYS   9   1.660  -1.566  -0.903
   62    H    GLU  10           H        GLU  10  -1.109  -2.754   1.665
   63    HA   GLU  10           HA       GLU  10  -3.340  -0.851   1.776
   64    HB2  GLU  10           HB2      GLU  10  -3.026  -3.635   2.860
   65    HB3  GLU  10           HB1      GLU  10  -4.243  -2.531   3.483
   66    HG2  GLU  10           HG2      GLU  10  -4.038  -3.230   0.576
   67    HG3  GLU  10           HG1      GLU  10  -4.998  -4.176   1.711
   68    H    LYS  11           H        LYS  11  -0.610  -2.367   3.394
   69    HA   LYS  11           HA       LYS  11  -0.472  -0.093   5.153
   70    HB2  LYS  11           HB2      LYS  11   0.278  -1.699   6.966
   71    HB3  LYS  11           HB1      LYS  11  -1.444  -1.631   6.644
   72    HG2  LYS  11           HG2      LYS  11  -1.313  -3.713   5.399
   73    HG3  LYS  11           HG1      LYS  11   0.437  -3.758   5.625
   74    HD2  LYS  11           HD2      LYS  11   0.189  -4.004   7.993
   75    HD3  LYS  11           HD1      LYS  11  -1.544  -3.705   7.885
   76    HE2  LYS  11           HE2      LYS  11  -1.864  -5.785   6.688
   77    HE3  LYS  11           HE1      LYS  11  -0.122  -6.055   6.644
   78    HZ1  LYS  11           HZ1      LYS  11  -0.058  -6.412   8.950
   79    HZ2  LYS  11           HZ2      LYS  11  -1.408  -7.283   8.423
   80    HZ3  LYS  11           HZ3      LYS  11  -1.617  -5.806   9.187
   81    H    ASP  12           H        ASP  12   1.661  -0.010   6.119
   82    HA   ASP  12           HA       ASP  12   3.572  -0.151   3.999
   83    HB2  ASP  12           HB2      ASP  12   3.972   0.512   6.921
   84    HB3  ASP  12           HB1      ASP  12   5.157   0.777   5.645
   85    H    GLU  13           H        GLU  13   2.528  -2.223   6.329
   86    HA   GLU  13           HA       GLU  13   4.833  -3.708   7.040
   87    HB2  GLU  13           HB2      GLU  13   2.478  -3.621   8.105
   88    HB3  GLU  13           HB1      GLU  13   2.087  -4.734   6.793
   89    HG2  GLU  13           HG2      GLU  13   3.452  -6.427   7.637
   90    HG3  GLU  13           HG1      GLU  13   4.281  -5.328   8.744
   91    H    ASP  14           H        ASP  14   2.626  -3.680   4.382
   92    HA   ASP  14           HA       ASP  14   3.054  -6.310   3.433
   93    HB2  ASP  14           HB2      ASP  14   2.125  -3.888   1.854
   94    HB3  ASP  14           HB1      ASP  14   1.996  -5.584   1.421
   95    H    CYS  15           H        CYS  15   4.615  -3.216   2.976
   96    HA   CYS  15           HA       CYS  15   6.260  -4.396   0.901
   97    HB2  CYS  15           HB2      CYS  15   5.953  -1.502   1.688
   98    HB3  CYS  15           HB1      CYS  15   6.923  -2.133   0.366
   99    H    CYS  16           H        CYS  16   8.523  -3.730   0.850
  100    HA   CYS  16           HA       CYS  16   9.861  -4.696   3.084
  101    HB2  CYS  16           HB2      CYS  16  11.072  -3.082   0.871
  102    HB3  CYS  16           HB1      CYS  16  11.811  -4.371   1.748
  103    H    LYS  17           H        LYS  17  11.872  -3.398   3.850
  104    HA   LYS  17           HA       LYS  17  10.770  -1.334   5.553
  105    HB2  LYS  17           HB2      LYS  17  13.548  -2.476   5.465
  106    HB3  LYS  17           HB1      LYS  17  12.842  -1.519   6.766
  107    HG2  LYS  17           HG2      LYS  17  11.067  -3.183   6.865
  108    HG3  LYS  17           HG1      LYS  17  12.012  -4.200   5.814
  109    HD2  LYS  17           HD2      LYS  17  13.869  -4.290   7.357
  110    HD3  LYS  17           HD1      LYS  17  13.056  -3.173   8.454
  111    HE2  LYS  17           HE2      LYS  17  12.900  -5.507   9.194
  112    HE3  LYS  17           HE1      LYS  17  11.323  -4.794   8.900
  113    HZ1  LYS  17           HZ1      LYS  17  11.273  -5.954   6.740
  114    HZ2  LYS  17           HZ2      LYS  17  11.432  -7.022   7.999
  115    HZ3  LYS  17           HZ3      LYS  17  12.770  -6.647   7.070
  116    H    HIS  18           H        HIS  18  12.854  -1.612   3.017
  117    HA   HIS  18           HA       HIS  18  13.909   1.095   3.114
  118    HB2  HIS  18           HB2      HIS  18  13.989  -0.822   0.744
  119    HB3  HIS  18           HB1      HIS  18  14.831   0.704   0.850
  120    HD1  HIS  18           HD1      HIS  18  15.772  -2.573   0.895
  121    HD2  HIS  18           HD2      HIS  18  16.355   0.500   3.623
  122    HE1  HIS  18           HE1      HIS  18  17.792  -3.219   2.252
  123    H    LEU  19           H        LEU  19  10.886   0.169   2.622
  124    HA   LEU  19           HA       LEU  19  10.328   2.338   0.756
  125    HB2  LEU  19           HB2      LEU  19   9.145  -0.428   0.677
  126    HB3  LEU  19           HB1      LEU  19   8.460   0.910  -0.179
  127    HG   LEU  19           HG       LEU  19  10.947   0.998  -1.183
  128   HD11  LEU  19          HD11      LEU  19  11.738  -0.907   0.119
  129   HD12  LEU  19          HD12      LEU  19  11.790  -1.204  -1.621
  130   HD13  LEU  19          HD13      LEU  19  10.499  -1.912  -0.650
  131   HD21  LEU  19          HD21      LEU  19  10.081  -0.249  -3.079
  132   HD22  LEU  19          HD22      LEU  19   8.925   0.924  -2.452
  133   HD23  LEU  19          HD23      LEU  19   8.726  -0.794  -2.092
  134    H    GLY  20           H        GLY  20   7.907   2.665   0.708
  135    HA2  GLY  20           HA2      GLY  20   6.587   2.176   3.236
  136    HA3  GLY  20           HA1      GLY  20   6.897   3.855   2.770
  137    H    CYS  21           H        CYS  21   4.336   2.596   3.064
  138    HA   CYS  21           HA       CYS  21   3.384   2.080   0.375
  139    HB2  CYS  21           HB2      CYS  21   2.673   0.517   2.078
  140    HB3  CYS  21           HB1      CYS  21   2.138   1.811   3.129
  141    H    LYS  22           H        LYS  22   2.613   3.702  -0.854
  142    HA   LYS  22           HA       LYS  22   1.809   6.204   0.379
  143    HB2  LYS  22           HB2      LYS  22   1.961   5.370  -2.492
  144    HB3  LYS  22           HB1      LYS  22   1.486   6.972  -1.953
  145    HG2  LYS  22           HG2      LYS  22   4.016   5.658  -1.327
  146    HG3  LYS  22           HG1      LYS  22   3.852   6.772  -2.715
  147    HD2  LYS  22           HD2      LYS  22   3.228   8.552  -1.085
  148    HD3  LYS  22           HD1      LYS  22   3.468   7.410   0.236
  149    HE2  LYS  22           HE2      LYS  22   5.819   7.179  -0.390
  150    HE3  LYS  22           HE1      LYS  22   5.583   8.326  -1.706
  151    HZ1  LYS  22           HZ1      LYS  22   5.074   8.981   1.135
  152    HZ2  LYS  22           HZ2      LYS  22   5.165  10.062  -0.136
  153    HZ3  LYS  22           HZ3      LYS  22   6.558   9.252   0.398
  154    H    ARG  23           H        ARG  23  -0.066   6.479   0.951
  155    HA   ARG  23           HA       ARG  23  -2.147   4.612   0.435
  156    HB2  ARG  23           HB2      ARG  23  -2.360   7.287   1.803
  157    HB3  ARG  23           HB1      ARG  23  -3.430   5.905   1.989
  158    HG2  ARG  23           HG2      ARG  23  -0.569   6.103   2.912
  159    HG3  ARG  23           HG1      ARG  23  -2.013   6.101   3.927
  160    HD2  ARG  23           HD2      ARG  23  -2.542   3.855   3.162
  161    HD3  ARG  23           HD1      ARG  23  -1.116   3.898   2.119
  162    HE   ARG  23           HE       ARG  23   0.265   3.994   4.096
  163   HH11  ARG  23          HH11      ARG  23  -3.079   3.034   4.702
  164   HH12  ARG  23          HH12      ARG  23  -2.706   2.096   6.063
  165   HH21  ARG  23          HH21      ARG  23   0.780   2.671   5.986
  166   HH22  ARG  23          HH22      ARG  23  -0.501   1.910   6.809
  167    H    LYS  24           H        LYS  24  -0.982   7.274  -1.151
  168    HA   LYS  24           HA       LYS  24  -3.659   7.994  -2.099
  169    HB2  LYS  24           HB2      LYS  24  -2.689   9.962  -3.187
  170    HB3  LYS  24           HB1      LYS  24  -2.268   9.912  -1.488
  171    HG2  LYS  24           HG2      LYS  24  -0.017   9.101  -2.095
  172    HG3  LYS  24           HG1      LYS  24  -0.500   9.182  -3.793
  173    HD2  LYS  24           HD2      LYS  24  -0.877  11.571  -3.612
  174    HD3  LYS  24           HD1      LYS  24  -0.451  11.518  -1.900
  175    HE2  LYS  24           HE2      LYS  24   1.800  10.809  -2.463
  176    HE3  LYS  24           HE1      LYS  24   1.380  10.777  -4.174
  177    HZ1  LYS  24           HZ1      LYS  24   2.572  12.788  -3.596
  178    HZ2  LYS  24           HZ2      LYS  24   1.421  13.197  -2.444
  179    HZ3  LYS  24           HZ3      LYS  24   1.008  13.165  -4.080
  180    H    MET  25           H        MET  25  -0.912   6.273  -2.975
  181    HA   MET  25           HA       MET  25  -1.722   6.280  -5.790
  182    HB2  MET  25           HB2      MET  25   0.971   5.440  -4.668
  183    HB3  MET  25           HB1      MET  25   0.478   5.572  -6.317
  184    HG2  MET  25           HG2      MET  25   0.789   7.867  -4.413
  185    HG3  MET  25           HG1      MET  25   1.858   7.429  -5.731
  186    HE1  MET  25           HE1      MET  25  -0.255   8.231  -8.913
  187    HE2  MET  25           HE2      MET  25  -0.112   6.673  -8.107
  188    HE3  MET  25           HE3      MET  25   1.309   7.702  -8.292
  189    H    LYS  26           H        LYS  26  -1.526   4.439  -2.951
  190    HA   LYS  26           HA       LYS  26  -2.067   2.360  -2.361
  191    HB2  LYS  26           HB2      LYS  26  -3.136   2.055  -5.165
  192    HB3  LYS  26           HB1      LYS  26  -3.430   0.951  -3.842
  193    HG2  LYS  26           HG2      LYS  26  -4.327   3.822  -3.974
  194    HG3  LYS  26           HG1      LYS  26  -5.345   2.386  -4.108
  195    HD2  LYS  26           HD2      LYS  26  -3.661   3.096  -1.741
  196    HD3  LYS  26           HD1      LYS  26  -5.394   3.444  -1.846
  197    HE2  LYS  26           HE2      LYS  26  -5.829   1.005  -2.080
  198    HE3  LYS  26           HE1      LYS  26  -4.102   0.694  -1.925
  199    HZ1  LYS  26           HZ1      LYS  26  -5.880   1.850   0.149
  200    HZ2  LYS  26           HZ2      LYS  26  -4.224   1.709   0.312
  201    HZ3  LYS  26           HZ3      LYS  26  -5.179   0.318   0.160
  202    H    TYR  27           H        TYR  27   0.332   2.978  -3.177
  203    HA   TYR  27           HA       TYR  27   1.364   0.333  -3.511
  204    HB2  TYR  27           HB2      TYR  27   2.829   0.619  -5.417
  205    HB3  TYR  27           HB1      TYR  27   1.181   0.853  -5.923
  206    HD1  TYR  27           HD1      TYR  27   4.244   2.779  -4.910
  207    HD2  TYR  27           HD2      TYR  27   0.706   2.706  -7.271
  208    HE1  TYR  27           HE1      TYR  27   4.964   4.797  -6.006
  209    HE2  TYR  27           HE2      TYR  27   1.426   4.783  -8.373
  210    HH   TYR  27           HH       TYR  27   4.604   6.026  -7.943
  211    H    CYS  28           H        CYS  28   3.679   0.269  -3.442
  212    HA   CYS  28           HA       CYS  28   4.489   2.234  -1.470
  213    HB2  CYS  28           HB2      CYS  28   5.680  -0.453  -2.103
  214    HB3  CYS  28           HB1      CYS  28   6.270   0.655  -0.865
  215    H    ALA  29           H        ALA  29   6.197   3.424  -1.482
  216    HA   ALA  29           HA       ALA  29   7.824   3.612  -3.917
  217    HB1  ALA  29           HB1      ALA  29   6.275   5.506  -3.759
  218    HB2  ALA  29           HB2      ALA  29   7.928   6.057  -3.475
  219    HB3  ALA  29           HB3      ALA  29   6.818   5.842  -2.115
  220    H    TRP  30           H        TRP  30   9.843   5.307  -2.825
  221    HA   TRP  30           HA       TRP  30  11.082   3.347  -1.155
  222    HB2  TRP  30           HB2      TRP  30  12.151   5.988  -2.128
  223    HB3  TRP  30           HB1      TRP  30  13.058   4.835  -1.179
  224    HD1  TRP  30           HD       TRP  30  12.234   5.679  -4.604
  225    HE1  TRP  30           HE1      TRP  30  13.121   3.823  -6.216
  226    HE3  TRP  30           HE3      TRP  30  13.143   2.251  -1.203
  227    HZ2  TRP  30           HZ2      TRP  30  14.087   1.144  -5.951
  228    HZ3  TRP  30           HZ3      TRP  30  14.049  -0.004  -1.838
  229    HH2  TRP  30           HH       TRP  30  14.501  -0.528  -4.157
  230    H    ASP  31           H        ASP  31   8.854   5.378  -0.228
  231    HA   ASP  31           HA       ASP  31   9.630   5.479   2.443
  232    HB2  ASP  31           HB2      ASP  31   9.610   7.840   2.711
  233    HB3  ASP  31           HB1      ASP  31  10.804   7.449   1.464
  234    H    PHE  32           H        PHE  32   7.830   6.496   3.510
  235    HA   PHE  32           HA       PHE  32   5.376   6.160   1.964
  236    HB2  PHE  32           HB2      PHE  32   4.174   5.818   4.141
  237    HB3  PHE  32           HB1      PHE  32   5.223   4.509   3.642
  238    HD1  PHE  32           HD1      PHE  32   7.225   4.005   4.923
  239    HD2  PHE  32           HD2      PHE  32   4.629   7.172   6.053
  240    HE1  PHE  32           HE1      PHE  32   8.272   4.072   7.130
  241    HE2  PHE  32           HE2      PHE  32   5.681   7.249   8.259
  242    HZ   PHE  32           HZ       PHE  32   7.508   5.693   8.808
  243    H    THR  33           H        THR  33   7.005   8.384   4.123
  244    HA   THR  33           HA       THR  33   4.940  10.241   3.308
  245    HB   THR  33           HB       THR  33   4.409   9.573   5.640
  246    HG1  THR  33           HG1      THR  33   3.691  11.514   5.519
  247   HG21  THR  33          HG21      THR  33   6.669   9.106   6.464
  248   HG22  THR  33          HG22      THR  33   5.879  10.308   7.486
  249   HG23  THR  33          HG23      THR  33   7.089  10.810   6.303
  250    H    PHE  34           H        PHE  34   5.558  12.356   3.129
  251    HA   PHE  34           HA       PHE  34   8.239  12.707   2.227
  252    HB2  PHE  34           HB2      PHE  34   7.479  14.982   1.607
  253    HB3  PHE  34           HB1      PHE  34   6.399  13.738   1.002
  254    HD1  PHE  34           HD1      PHE  34   4.159  13.456   1.994
  255    HD2  PHE  34           HD2      PHE  34   6.751  16.601   3.223
  256    HE1  PHE  34           HE1      PHE  34   2.254  14.613   3.032
  257    HE2  PHE  34           HE2      PHE  34   4.850  17.763   4.265
  258    HZ   PHE  34           HZ       PHE  34   2.599  16.770   4.173
  259    H    THR  35           H        THR  35   9.689  14.311   2.959
  260    HA   THR  35           HA       THR  35   9.662  14.737   5.835
  261    HB   THR  35           HB       THR  35  11.740  15.600   3.802
  262    HG1  THR  35           HG1      THR  35  11.096  13.121   4.840
  263   HG21  THR  35          HG21      THR  35  11.911  15.034   6.772
  264   HG22  THR  35          HG22      THR  35  11.927  16.633   6.029
  265   HG23  THR  35          HG23      THR  35  13.257  15.512   5.737
  Start of MODEL    5
    1    H1   ASP   1           HT1      ASP   1   8.079 -13.229   1.763
    2    H2   ASP   1           HT2      ASP   1   6.500 -12.597   1.755
    3    H3   ASP   1           HT3      ASP   1   7.715 -11.811   2.602
    4    HA   ASP   1           HA       ASP   1   8.881 -11.289   0.613
    5    HB2  ASP   1           HB2      ASP   1   8.262 -13.145  -0.773
    6    HB3  ASP   1           HB1      ASP   1   6.555 -12.683  -0.709
    7    H    CYS   2           H        CYS   2   8.719  -9.257   0.495
    8    HA   CYS   2           HA       CYS   2   6.153  -7.973   1.043
    9    HB2  CYS   2           HB2      CYS   2   7.647  -6.024   1.412
   10    HB3  CYS   2           HB1      CYS   2   7.747  -7.303   2.610
   11    H    ARG   3           H        ARG   3   5.786  -6.015   0.038
   12    HA   ARG   3           HA       ARG   3   6.086  -6.169  -2.815
   13    HB2  ARG   3           HB2      ARG   3   4.844  -4.049  -1.069
   14    HB3  ARG   3           HB1      ARG   3   4.760  -4.098  -2.814
   15    HG2  ARG   3           HG2      ARG   3   3.632  -6.189  -0.984
   16    HG3  ARG   3           HG1      ARG   3   2.722  -4.850  -1.674
   17    HD2  ARG   3           HD2      ARG   3   3.301  -5.674  -3.928
   18    HD3  ARG   3           HD1      ARG   3   4.078  -7.076  -3.190
   19    HE   ARG   3           HE       ARG   3   1.397  -6.620  -2.329
   20   HH11  ARG   3          HH11      ARG   3   3.320  -8.194  -4.868
   21   HH12  ARG   3          HH12      ARG   3   2.172  -9.400  -5.185
   22   HH21  ARG   3          HH21      ARG   3  -0.225  -8.213  -2.843
   23   HH22  ARG   3          HH22      ARG   3   0.067  -9.376  -4.040
   24    H    TYR   4           H        TYR   4   7.576  -5.124  -3.981
   25    HA   TYR   4           HA       TYR   4   9.304  -3.262  -2.691
   26    HB2  TYR   4           HB2      TYR   4   9.235  -4.671  -5.342
   27    HB3  TYR   4           HB1      TYR   4  10.388  -3.410  -4.967
   28    HD1  TYR   4           HD1      TYR   4   9.890  -6.857  -5.041
   29    HD2  TYR   4           HD2      TYR   4  11.754  -3.855  -2.647
   30    HE1  TYR   4           HE1      TYR   4  11.424  -8.536  -4.099
   31    HE2  TYR   4           HE2      TYR   4  13.272  -5.519  -1.736
   32    HH   TYR   4           HH       TYR   4  13.374  -7.924  -1.397
   33    H    MET   5           H        MET   5   9.709  -1.782  -5.261
   34    HA   MET   5           HA       MET   5   7.681   0.157  -4.668
   35    HB2  MET   5           HB2      MET   5  10.177   0.573  -5.378
   36    HB3  MET   5           HB1      MET   5   9.565   0.354  -7.003
   37    HG2  MET   5           HG2      MET   5   7.947   2.157  -6.627
   38    HG3  MET   5           HG1      MET   5   8.596   2.356  -5.002
   39    HE1  MET   5           HE1      MET   5   8.367   4.904  -6.391
   40    HE2  MET   5           HE2      MET   5  10.000   5.590  -6.373
   41    HE3  MET   5           HE3      MET   5   9.397   4.737  -4.958
   42    H    PHE   6           H        PHE   6   6.010   0.735  -5.739
   43    HA   PHE   6           HA       PHE   6   4.291   0.780  -7.158
   44    HB2  PHE   6           HB2      PHE   6   5.964  -0.882  -9.068
   45    HB3  PHE   6           HB1      PHE   6   4.411  -0.159  -9.463
   46    HD1  PHE   6           HD1      PHE   6   4.207   2.292  -9.624
   47    HD2  PHE   6           HD2      PHE   6   7.955   0.390  -9.041
   48    HE1  PHE   6           HE1      PHE   6   5.361   4.357 -10.308
   49    HE2  PHE   6           HE2      PHE   6   9.121   2.422  -9.696
   50    HZ   PHE   6           HZ       PHE   6   7.826   4.432 -10.349
   51    H    GLY   7           H        GLY   7   5.337  -1.733  -5.508
   52    HA2  GLY   7           HA2      GLY   7   3.392  -3.677  -6.287
   53    HA3  GLY   7           HA1      GLY   7   4.372  -3.699  -4.820
   54    H    ASP   8           H        ASP   8   1.461  -4.078  -5.273
   55    HA   ASP   8           HA       ASP   8   0.017  -1.806  -4.330
   56    HB2  ASP   8           HB2      ASP   8  -0.976  -3.383  -5.646
   57    HB3  ASP   8           HB1      ASP   8  -0.711  -4.730  -4.527
   58    H    CYS   9           H        CYS   9  -0.844  -1.412  -2.316
   59    HA   CYS   9           HA       CYS   9  -0.060  -3.180  -0.175
   60    HB2  CYS   9           HB2      CYS   9   1.299  -1.535   0.966
   61    HB3  CYS   9           HB1      CYS   9   1.838  -1.843  -0.701
   62    H    GLU  10           H        GLU  10  -1.081  -2.723   1.798
   63    HA   GLU  10           HA       GLU  10  -3.171  -0.659   1.730
   64    HB2  GLU  10           HB2      GLU  10  -2.941  -3.229   3.284
   65    HB3  GLU  10           HB1      GLU  10  -4.122  -1.992   3.644
   66    HG2  GLU  10           HG2      GLU  10  -3.935  -3.420   1.011
   67    HG3  GLU  10           HG1      GLU  10  -5.010  -3.890   2.326
   68    H    LYS  11           H        LYS  11  -0.491  -2.159   3.478
   69    HA   LYS  11           HA       LYS  11  -0.318   0.188   5.169
   70    HB2  LYS  11           HB2      LYS  11   0.298  -1.361   7.031
   71    HB3  LYS  11           HB1      LYS  11  -1.389  -1.413   6.564
   72    HG2  LYS  11           HG2      LYS  11  -0.809  -3.465   5.193
   73    HG3  LYS  11           HG1      LYS  11   0.778  -3.425   5.952
   74    HD2  LYS  11           HD2      LYS  11  -0.340  -3.583   8.167
   75    HD3  LYS  11           HD1      LYS  11  -1.889  -3.739   7.338
   76    HE2  LYS  11           HE2      LYS  11   0.454  -5.652   7.185
   77    HE3  LYS  11           HE1      LYS  11  -1.070  -5.921   8.015
   78    HZ1  LYS  11           HZ1      LYS  11  -2.172  -5.815   5.792
   79    HZ2  LYS  11           HZ2      LYS  11  -1.116  -7.077   5.998
   80    HZ3  LYS  11           HZ3      LYS  11  -0.631  -5.777   5.064
   81    H    ASP  12           H        ASP  12   1.835   0.157   6.232
   82    HA   ASP  12           HA       ASP  12   3.851   0.002   4.198
   83    HB2  ASP  12           HB2      ASP  12   4.067   0.592   7.137
   84    HB3  ASP  12           HB1      ASP  12   5.488   0.489   6.103
   85    H    GLU  13           H        GLU  13   2.677  -2.182   6.392
   86    HA   GLU  13           HA       GLU  13   5.017  -3.763   6.833
   87    HB2  GLU  13           HB2      GLU  13   2.135  -4.483   6.997
   88    HB3  GLU  13           HB1      GLU  13   3.439  -5.459   7.634
   89    HG2  GLU  13           HG2      GLU  13   4.081  -3.613   9.160
   90    HG3  GLU  13           HG1      GLU  13   2.714  -2.676   8.568
   91    H    ASP  14           H        ASP  14   2.703  -3.460   4.349
   92    HA   ASP  14           HA       ASP  14   3.110  -6.084   3.280
   93    HB2  ASP  14           HB2      ASP  14   1.884  -3.701   1.848
   94    HB3  ASP  14           HB1      ASP  14   1.812  -5.423   1.468
   95    H    CYS  15           H        CYS  15   4.511  -2.964   3.010
   96    HA   CYS  15           HA       CYS  15   5.998  -3.641   0.610
   97    HB2  CYS  15           HB2      CYS  15   6.349  -1.164   2.310
   98    HB3  CYS  15           HB1      CYS  15   6.780  -1.425   0.644
   99    H    CYS  16           H        CYS  16   8.286  -3.629   0.658
  100    HA   CYS  16           HA       CYS  16   9.474  -4.825   2.851
  101    HB2  CYS  16           HB2      CYS  16  10.817  -3.290   0.657
  102    HB3  CYS  16           HB1      CYS  16  11.535  -4.505   1.631
  103    H    LYS  17           H        LYS  17  11.563  -3.793   3.683
  104    HA   LYS  17           HA       LYS  17  10.621  -1.934   5.640
  105    HB2  LYS  17           HB2      LYS  17  13.451  -2.813   5.164
  106    HB3  LYS  17           HB1      LYS  17  12.787  -2.106   6.620
  107    HG2  LYS  17           HG2      LYS  17  12.055  -4.763   5.460
  108    HG3  LYS  17           HG1      LYS  17  13.107  -4.440   6.844
  109    HD2  LYS  17           HD2      LYS  17  11.187  -3.380   8.003
  110    HD3  LYS  17           HD1      LYS  17  10.170  -3.743   6.614
  111    HE2  LYS  17           HE2      LYS  17  10.624  -6.161   6.985
  112    HE3  LYS  17           HE1      LYS  17  11.493  -5.720   8.452
  113    HZ1  LYS  17           HZ1      LYS  17   8.642  -5.168   7.890
  114    HZ2  LYS  17           HZ2      LYS  17   9.459  -4.678   9.271
  115    HZ3  LYS  17           HZ3      LYS  17   9.227  -6.319   8.972
  116    H    HIS  18           H        HIS  18  13.041  -1.800   3.245
  117    HA   HIS  18           HA       HIS  18  13.783   0.917   3.584
  118    HB2  HIS  18           HB2      HIS  18  14.083  -0.827   1.139
  119    HB3  HIS  18           HB1      HIS  18  14.794   0.772   1.296
  120    HD1  HIS  18           HD1      HIS  18  15.586  -2.723   1.849
  121    HD2  HIS  18           HD2      HIS  18  16.619   0.893   3.618
  122    HE1  HIS  18           HE1      HIS  18  17.680  -3.160   3.174
  123    H    LEU  19           H        LEU  19  10.827  -0.105   2.541
  124    HA   LEU  19           HA       LEU  19  10.412   2.325   0.922
  125    HB2  LEU  19           HB2      LEU  19   9.223  -0.416   0.599
  126    HB3  LEU  19           HB1      LEU  19   8.553   0.991  -0.176
  127    HG   LEU  19           HG       LEU  19  11.068   1.143  -1.099
  128   HD11  LEU  19          HD11      LEU  19  10.629  -1.795  -0.731
  129   HD12  LEU  19          HD12      LEU  19  11.870  -0.819   0.069
  130   HD13  LEU  19          HD13      LEU  19  11.901  -1.041  -1.688
  131   HD21  LEU  19          HD21      LEU  19  10.279   0.028  -3.109
  132   HD22  LEU  19          HD22      LEU  19   9.085   1.142  -2.442
  133   HD23  LEU  19          HD23      LEU  19   8.898  -0.599  -2.211
  134    H    GLY  20           H        GLY  20   7.924   2.598   0.711
  135    HA2  GLY  20           HA2      GLY  20   6.583   2.170   3.227
  136    HA3  GLY  20           HA1      GLY  20   6.868   3.843   2.730
  137    H    CYS  21           H        CYS  21   4.390   2.558   3.051
  138    HA   CYS  21           HA       CYS  21   3.406   1.974   0.369
  139    HB2  CYS  21           HB2      CYS  21   2.619   0.616   2.249
  140    HB3  CYS  21           HB1      CYS  21   1.991   2.050   3.044
  141    H    LYS  22           H        LYS  22   2.481   3.464  -0.960
  142    HA   LYS  22           HA       LYS  22   1.878   6.047   0.182
  143    HB2  LYS  22           HB2      LYS  22   2.086   5.150  -2.672
  144    HB3  LYS  22           HB1      LYS  22   1.470   6.729  -2.203
  145    HG2  LYS  22           HG2      LYS  22   4.050   5.604  -1.434
  146    HG3  LYS  22           HG1      LYS  22   3.876   6.711  -2.825
  147    HD2  LYS  22           HD2      LYS  22   2.969   8.382  -1.184
  148    HD3  LYS  22           HD1      LYS  22   3.334   7.274   0.118
  149    HE2  LYS  22           HE2      LYS  22   5.714   7.323  -0.486
  150    HE3  LYS  22           HE1      LYS  22   5.354   8.425  -1.813
  151    HZ1  LYS  22           HZ1      LYS  22   4.789  10.115  -0.311
  152    HZ2  LYS  22           HZ2      LYS  22   6.210   9.452   0.338
  153    HZ3  LYS  22           HZ3      LYS  22   4.715   9.073   0.993
  154    H    ARG  23           H        ARG  23   0.138   6.471   0.834
  155    HA   ARG  23           HA       ARG  23  -2.126   4.789   0.595
  156    HB2  ARG  23           HB2      ARG  23  -1.508   7.349   1.993
  157    HB3  ARG  23           HB1      ARG  23  -3.158   6.773   1.899
  158    HG2  ARG  23           HG2      ARG  23  -1.978   6.251   3.978
  159    HG3  ARG  23           HG1      ARG  23  -2.612   4.806   3.152
  160    HD2  ARG  23           HD2      ARG  23  -0.267   4.448   2.351
  161    HD3  ARG  23           HD1      ARG  23   0.225   5.814   3.355
  162    HE   ARG  23           HE       ARG  23  -1.262   3.828   4.780
  163   HH11  ARG  23          HH11      ARG  23   2.021   4.577   3.647
  164   HH12  ARG  23          HH12      ARG  23   2.736   3.747   4.982
  165   HH21  ARG  23          HH21      ARG  23  -0.189   2.702   6.499
  166   HH22  ARG  23          HH22      ARG  23   1.533   2.703   6.542
  167    H    LYS  24           H        LYS  24  -0.955   7.187  -1.314
  168    HA   LYS  24           HA       LYS  24  -3.632   8.151  -2.032
  169    HB2  LYS  24           HB2      LYS  24  -0.933   9.041  -3.037
  170    HB3  LYS  24           HB1      LYS  24  -2.469   9.750  -3.506
  171    HG2  LYS  24           HG2      LYS  24  -1.409   9.701  -0.688
  172    HG3  LYS  24           HG1      LYS  24  -1.222  11.052  -1.796
  173    HD2  LYS  24           HD2      LYS  24  -3.922   9.951  -1.020
  174    HD3  LYS  24           HD1      LYS  24  -3.095  11.171  -0.071
  175    HE2  LYS  24           HE2      LYS  24  -4.675  12.267  -1.513
  176    HE3  LYS  24           HE1      LYS  24  -3.058  12.654  -2.068
  177    HZ1  LYS  24           HZ1      LYS  24  -4.804  10.583  -3.309
  178    HZ2  LYS  24           HZ2      LYS  24  -3.336  11.196  -3.936
  179    HZ3  LYS  24           HZ3      LYS  24  -4.680  12.167  -3.823
  180    H    MET  25           H        MET  25  -1.105   6.131  -3.097
  181    HA   MET  25           HA       MET  25  -2.485   5.773  -5.641
  182    HB2  MET  25           HB2      MET  25   0.399   5.729  -4.968
  183    HB3  MET  25           HB1      MET  25  -0.217   4.893  -6.373
  184    HG2  MET  25           HG2      MET  25  -0.488   7.824  -5.772
  185    HG3  MET  25           HG1      MET  25   0.564   7.079  -6.982
  186    HE1  MET  25           HE1      MET  25  -1.284   9.408  -7.796
  187    HE2  MET  25           HE2      MET  25  -1.993   8.782  -9.295
  188    HE3  MET  25           HE3      MET  25  -0.294   8.474  -8.920
  189    H    LYS  26           H        LYS  26  -1.643   4.260  -2.785
  190    HA   LYS  26           HA       LYS  26  -1.865   2.226  -1.955
  191    HB2  LYS  26           HB2      LYS  26  -3.390   1.592  -4.490
  192    HB3  LYS  26           HB1      LYS  26  -3.384   0.610  -3.030
  193    HG2  LYS  26           HG2      LYS  26  -4.481   3.394  -3.342
  194    HG3  LYS  26           HG1      LYS  26  -5.400   1.910  -3.086
  195    HD2  LYS  26           HD2      LYS  26  -3.371   3.021  -1.175
  196    HD3  LYS  26           HD1      LYS  26  -5.101   3.326  -1.020
  197    HE2  LYS  26           HE2      LYS  26  -3.711   0.633  -0.886
  198    HE3  LYS  26           HE1      LYS  26  -4.433   1.502   0.461
  199    HZ1  LYS  26           HZ1      LYS  26  -5.934   0.483  -1.880
  200    HZ2  LYS  26           HZ2      LYS  26  -6.589   1.205  -0.485
  201    HZ3  LYS  26           HZ3      LYS  26  -5.797  -0.285  -0.385
  202    H    TYR  27           H        TYR  27   0.347   2.912  -3.157
  203    HA   TYR  27           HA       TYR  27   1.365   0.254  -3.609
  204    HB2  TYR  27           HB2      TYR  27   2.681   0.554  -5.578
  205    HB3  TYR  27           HB1      TYR  27   1.034   0.914  -5.976
  206    HD1  TYR  27           HD1      TYR  27   4.345   2.477  -5.207
  207    HD2  TYR  27           HD2      TYR  27   0.574   3.010  -7.164
  208    HE1  TYR  27           HE1      TYR  27   5.204   4.454  -6.345
  209    HE2  TYR  27           HE2      TYR  27   1.447   4.984  -8.267
  210    HH   TYR  27           HH       TYR  27   3.165   6.607  -7.948
  211    H    CYS  28           H        CYS  28   3.636   0.052  -3.626
  212    HA   CYS  28           HA       CYS  28   4.591   1.608  -1.393
  213    HB2  CYS  28           HB2      CYS  28   5.950  -0.686  -2.804
  214    HB3  CYS  28           HB1      CYS  28   6.351  -0.026  -1.224
  215    H    ALA  29           H        ALA  29   5.977   3.151  -1.464
  216    HA   ALA  29           HA       ALA  29   7.638   3.571  -3.841
  217    HB1  ALA  29           HB1      ALA  29   7.505   5.992  -3.330
  218    HB2  ALA  29           HB2      ALA  29   6.402   5.636  -1.999
  219    HB3  ALA  29           HB3      ALA  29   5.913   5.303  -3.663
  220    H    TRP  30           H        TRP  30   9.469   5.375  -2.684
  221    HA   TRP  30           HA       TRP  30  10.774   3.496  -0.938
  222    HB2  TRP  30           HB2      TRP  30  11.745   6.117  -2.071
  223    HB3  TRP  30           HB1      TRP  30  12.689   5.112  -0.991
  224    HD1  TRP  30           HD       TRP  30  11.807   5.508  -4.555
  225    HE1  TRP  30           HE1      TRP  30  12.886   3.546  -5.929
  226    HE3  TRP  30           HE3      TRP  30  13.150   2.657  -0.767
  227    HZ2  TRP  30           HZ2      TRP  30  14.156   1.089  -5.373
  228    HZ3  TRP  30           HZ3      TRP  30  14.322   0.450  -1.156
  229    HH2  TRP  30           HH       TRP  30  14.796  -0.290  -3.437
  230    H    ASP  31           H        ASP  31   8.436   5.474  -0.138
  231    HA   ASP  31           HA       ASP  31   9.141   5.632   2.544
  232    HB2  ASP  31           HB2      ASP  31   9.334   7.983   2.794
  233    HB3  ASP  31           HB1      ASP  31  10.346   7.514   1.430
  234    H    PHE  32           H        PHE  32   7.326   6.765   3.534
  235    HA   PHE  32           HA       PHE  32   4.860   6.283   1.982
  236    HB2  PHE  32           HB2      PHE  32   3.649   5.726   4.014
  237    HB3  PHE  32           HB1      PHE  32   5.084   4.728   3.899
  238    HD1  PHE  32           HD1      PHE  32   3.315   7.258   5.798
  239    HD2  PHE  32           HD2      PHE  32   6.975   5.123   5.447
  240    HE1  PHE  32           HE1      PHE  32   3.915   7.928   8.086
  241    HE2  PHE  32           HE2      PHE  32   7.585   5.792   7.735
  242    HZ   PHE  32           HZ       PHE  32   6.054   7.195   9.057
  243    H    THR  33           H        THR  33   6.512   8.523   4.051
  244    HA   THR  33           HA       THR  33   4.618  10.235   4.949
  245    HB   THR  33           HB       THR  33   6.499  11.966   4.677
  246    HG1  THR  33           HG1      THR  33   7.429  10.274   2.999
  247   HG21  THR  33          HG21      THR  33   7.770  10.881   6.519
  248   HG22  THR  33          HG22      THR  33   6.894   9.379   6.207
  249   HG23  THR  33          HG23      THR  33   6.029  10.803   6.768
  250    H    PHE  34           H        PHE  34   3.090  11.384   3.982
  251    HA   PHE  34           HA       PHE  34   3.682  12.433   1.325
  252    HB2  PHE  34           HB2      PHE  34   1.254  12.443   0.879
  253    HB3  PHE  34           HB1      PHE  34   1.883  10.830   1.183
  254    HD1  PHE  34           HD1      PHE  34   1.276   9.672   3.290
  255    HD2  PHE  34           HD2      PHE  34  -0.404  13.438   2.243
  256    HE1  PHE  34           HE1      PHE  34  -0.529   9.318   4.912
  257    HE2  PHE  34           HE2      PHE  34  -2.204  13.092   3.875
  258    HZ   PHE  34           HZ       PHE  34  -2.267  11.029   5.213
  259    H    THR  35           H        THR  35   3.797  14.513   1.085
  260    HA   THR  35           HA       THR  35   2.171  16.352   2.439
  261    HB   THR  35           HB       THR  35   3.640  15.981   4.332
  262    HG1  THR  35           HG1      THR  35   4.904  18.261   3.701
  263   HG21  THR  35          HG21      THR  35   5.551  15.007   3.162
  264   HG22  THR  35          HG22      THR  35   6.058  16.328   4.215
  265   HG23  THR  35          HG23      THR  35   5.936  16.585   2.472
  Start of MODEL    6
    1    H1   ASP   1           HT1      ASP   1   6.787 -13.705   1.090
    2    H2   ASP   1           HT2      ASP   1   5.684 -12.812   0.176
    3    H3   ASP   1           HT3      ASP   1   5.830 -12.505   1.821
    4    HA   ASP   1           HA       ASP   1   8.071 -11.728   1.485
    5    HB2  ASP   1           HB2      ASP   1   8.802 -11.284  -0.864
    6    HB3  ASP   1           HB1      ASP   1   8.652 -13.002  -0.514
    7    H    CYS   2           H        CYS   2   8.446  -9.458   0.826
    8    HA   CYS   2           HA       CYS   2   5.982  -7.966   1.132
    9    HB2  CYS   2           HB2      CYS   2   7.547  -6.101   1.406
   10    HB3  CYS   2           HB1      CYS   2   7.734  -7.370   2.601
   11    H    ARG   3           H        ARG   3   5.833  -5.949   0.054
   12    HA   ARG   3           HA       ARG   3   6.247  -6.298  -2.798
   13    HB2  ARG   3           HB2      ARG   3   4.331  -4.753  -1.154
   14    HB3  ARG   3           HB1      ARG   3   4.827  -4.014  -2.664
   15    HG2  ARG   3           HG2      ARG   3   2.762  -5.265  -2.926
   16    HG3  ARG   3           HG1      ARG   3   4.052  -5.963  -3.894
   17    HD2  ARG   3           HD2      ARG   3   2.800  -7.721  -2.886
   18    HD3  ARG   3           HD1      ARG   3   4.384  -7.657  -2.127
   19    HE   ARG   3           HE       ARG   3   3.164  -6.336  -0.337
   20   HH11  ARG   3          HH11      ARG   3   1.567  -8.865  -2.284
   21   HH12  ARG   3          HH12      ARG   3   0.588  -9.421  -1.019
   22   HH21  ARG   3          HH21      ARG   3   1.739  -7.150   1.445
   23   HH22  ARG   3          HH22      ARG   3   0.686  -8.432   1.105
   24    H    TYR   4           H        TYR   4   7.628  -5.152  -3.930
   25    HA   TYR   4           HA       TYR   4   9.229  -3.206  -2.597
   26    HB2  TYR   4           HB2      TYR   4   9.346  -4.669  -5.216
   27    HB3  TYR   4           HB1      TYR   4  10.451  -3.389  -4.789
   28    HD1  TYR   4           HD1      TYR   4   9.834  -6.861  -4.686
   29    HD2  TYR   4           HD2      TYR   4  11.822  -3.753  -2.555
   30    HE1  TYR   4           HE1      TYR   4  11.276  -8.517  -3.606
   31    HE2  TYR   4           HE2      TYR   4  13.267  -5.408  -1.481
   32    HH   TYR   4           HH       TYR   4  13.542  -8.539  -2.590
   33    H    MET   5           H        MET   5   9.799  -1.728  -4.990
   34    HA   MET   5           HA       MET   5   7.770   0.221  -4.740
   35    HB2  MET   5           HB2      MET   5  10.251   0.488  -5.462
   36    HB3  MET   5           HB1      MET   5   9.664   0.086  -7.062
   37    HG2  MET   5           HG2      MET   5   8.102   1.971  -6.925
   38    HG3  MET   5           HG1      MET   5   8.772   2.374  -5.345
   39    HE1  MET   5           HE1      MET   5   9.714   4.646  -5.638
   40    HE2  MET   5           HE2      MET   5   8.690   4.679  -7.082
   41    HE3  MET   5           HE3      MET   5  10.362   5.268  -7.153
   42    H    PHE   6           H        PHE   6   6.084   0.733  -5.883
   43    HA   PHE   6           HA       PHE   6   4.385   0.706  -7.354
   44    HB2  PHE   6           HB2      PHE   6   6.073  -1.126  -9.087
   45    HB3  PHE   6           HB1      PHE   6   4.532  -0.430  -9.569
   46    HD1  PHE   6           HD1      PHE   6   8.068   0.137  -9.098
   47    HD2  PHE   6           HD2      PHE   6   4.350   1.987  -9.972
   48    HE1  PHE   6           HE1      PHE   6   9.264   2.088  -9.900
   49    HE2  PHE   6           HE2      PHE   6   5.538   3.977 -10.811
   50    HZ   PHE   6           HZ       PHE   6   8.004   4.040 -10.779
   51    H    GLY   7           H        GLY   7   5.439  -1.875  -5.638
   52    HA2  GLY   7           HA2      GLY   7   3.453  -3.792  -6.345
   53    HA3  GLY   7           HA1      GLY   7   4.433  -3.773  -4.878
   54    H    ASP   8           H        ASP   8   1.532  -4.218  -5.239
   55    HA   ASP   8           HA       ASP   8   0.179  -1.858  -4.363
   56    HB2  ASP   8           HB2      ASP   8  -0.871  -3.481  -5.656
   57    HB3  ASP   8           HB1      ASP   8  -0.738  -4.735  -4.418
   58    H    CYS   9           H        CYS   9  -0.653  -1.402  -2.410
   59    HA   CYS   9           HA       CYS   9  -0.025  -3.131  -0.204
   60    HB2  CYS   9           HB2      CYS   9   1.364  -1.486   0.918
   61    HB3  CYS   9           HB1      CYS   9   1.948  -1.899  -0.713
   62    H    GLU  10           H        GLU  10  -1.190  -2.553   1.659
   63    HA   GLU  10           HA       GLU  10  -3.115  -0.380   1.323
   64    HB2  GLU  10           HB2      GLU  10  -3.294  -3.032   2.708
   65    HB3  GLU  10           HB1      GLU  10  -4.339  -1.700   3.187
   66    HG2  GLU  10           HG2      GLU  10  -4.160  -2.818   0.403
   67    HG3  GLU  10           HG1      GLU  10  -5.391  -3.258   1.590
   68    H    LYS  11           H        LYS  11  -0.734  -1.944   3.319
   69    HA   LYS  11           HA       LYS  11  -0.563   0.472   4.897
   70    HB2  LYS  11           HB2      LYS  11   0.111  -1.031   6.801
   71    HB3  LYS  11           HB1      LYS  11  -1.592  -1.070   6.393
   72    HG2  LYS  11           HG2      LYS  11  -1.075  -3.153   5.050
   73    HG3  LYS  11           HG1      LYS  11   0.528  -3.116   5.775
   74    HD2  LYS  11           HD2      LYS  11  -0.483  -3.278   8.000
   75    HD3  LYS  11           HD1      LYS  11  -2.089  -3.298   7.268
   76    HE2  LYS  11           HE2      LYS  11   0.084  -5.365   6.901
   77    HE3  LYS  11           HE1      LYS  11  -1.393  -5.556   7.836
   78    HZ1  LYS  11           HZ1      LYS  11  -1.634  -6.624   5.753
   79    HZ2  LYS  11           HZ2      LYS  11  -1.192  -5.285   4.865
   80    HZ3  LYS  11           HZ3      LYS  11  -2.656  -5.301   5.736
   81    H    ASP  12           H        ASP  12   1.598   0.516   5.911
   82    HA   ASP  12           HA       ASP  12   3.564   0.343   3.806
   83    HB2  ASP  12           HB2      ASP  12   4.147   0.859   6.720
   84    HB3  ASP  12           HB1      ASP  12   5.171   1.255   5.351
   85    H    GLU  13           H        GLU  13   2.494  -1.744   6.097
   86    HA   GLU  13           HA       GLU  13   4.852  -3.233   6.681
   87    HB2  GLU  13           HB2      GLU  13   2.028  -4.131   6.796
   88    HB3  GLU  13           HB1      GLU  13   3.372  -4.789   7.709
   89    HG2  GLU  13           HG2      GLU  13   2.083  -2.078   8.074
   90    HG3  GLU  13           HG1      GLU  13   2.100  -3.416   9.218
   91    H    ASP  14           H        ASP  14   2.510  -3.148   4.151
   92    HA   ASP  14           HA       ASP  14   2.944  -5.836   3.259
   93    HB2  ASP  14           HB2      ASP  14   1.696  -3.580   1.646
   94    HB3  ASP  14           HB1      ASP  14   1.604  -5.320   1.401
   95    H    CYS  15           H        CYS  15   4.529  -2.894   3.018
   96    HA   CYS  15           HA       CYS  15   5.999  -3.618   0.608
   97    HB2  CYS  15           HB2      CYS  15   6.280  -1.121   2.272
   98    HB3  CYS  15           HB1      CYS  15   6.851  -1.413   0.649
   99    H    CYS  16           H        CYS  16   8.233  -3.663   0.709
  100    HA   CYS  16           HA       CYS  16   9.425  -4.896   2.891
  101    HB2  CYS  16           HB2      CYS  16  10.797  -3.400   0.686
  102    HB3  CYS  16           HB1      CYS  16  11.438  -4.704   1.630
  103    H    LYS  17           H        LYS  17  11.624  -3.952   3.619
  104    HA   LYS  17           HA       LYS  17  11.007  -2.142   5.711
  105    HB2  LYS  17           HB2      LYS  17  13.675  -3.063   4.697
  106    HB3  LYS  17           HB1      LYS  17  13.382  -2.281   6.248
  107    HG2  LYS  17           HG2      LYS  17  11.964  -3.957   6.887
  108    HG3  LYS  17           HG1      LYS  17  12.091  -4.823   5.369
  109    HD2  LYS  17           HD2      LYS  17  14.542  -5.081   5.776
  110    HD3  LYS  17           HD1      LYS  17  14.314  -4.366   7.378
  111    HE2  LYS  17           HE2      LYS  17  14.382  -6.814   7.452
  112    HE3  LYS  17           HE1      LYS  17  12.834  -6.178   7.997
  113    HZ1  LYS  17           HZ1      LYS  17  11.909  -6.682   5.802
  114    HZ2  LYS  17           HZ2      LYS  17  12.504  -8.049   6.535
  115    HZ3  LYS  17           HZ3      LYS  17  13.394  -7.300   5.296
  116    H    HIS  18           H        HIS  18  13.079  -1.832   3.054
  117    HA   HIS  18           HA       HIS  18  13.791   0.911   3.515
  118    HB2  HIS  18           HB2      HIS  18  14.201  -0.722   1.002
  119    HB3  HIS  18           HB1      HIS  18  14.786   0.908   1.236
  120    HD1  HIS  18           HD1      HIS  18  15.904  -2.475   1.540
  121    HD2  HIS  18           HD2      HIS  18  16.567   1.056   3.618
  122    HE1  HIS  18           HE1      HIS  18  18.080  -2.790   2.768
  123    H    LEU  19           H        LEU  19  10.867  -0.102   2.622
  124    HA   LEU  19           HA       LEU  19  10.476   2.238   0.930
  125    HB2  LEU  19           HB2      LEU  19   9.207  -0.461   0.623
  126    HB3  LEU  19           HB1      LEU  19   8.577   0.971  -0.153
  127    HG   LEU  19           HG       LEU  19  11.103   1.083  -1.030
  128   HD11  LEU  19          HD11      LEU  19  10.614  -1.853  -0.718
  129   HD12  LEU  19          HD12      LEU  19  11.869  -0.902   0.089
  130   HD13  LEU  19          HD13      LEU  19  11.897  -1.108  -1.667
  131   HD21  LEU  19          HD21      LEU  19   9.148   1.169  -2.403
  132   HD22  LEU  19          HD22      LEU  19   8.905  -0.570  -2.221
  133   HD23  LEU  19          HD23      LEU  19  10.318   0.040  -3.085
  134    H    GLY  20           H        GLY  20   8.112   2.773   0.761
  135    HA2  GLY  20           HA2      GLY  20   6.695   2.442   3.294
  136    HA3  GLY  20           HA1      GLY  20   7.002   4.065   2.654
  137    H    CYS  21           H        CYS  21   4.369   2.978   2.976
  138    HA   CYS  21           HA       CYS  21   3.652   2.234   0.246
  139    HB2  CYS  21           HB2      CYS  21   2.888   0.678   1.888
  140    HB3  CYS  21           HB1      CYS  21   2.223   1.963   2.889
  141    H    LYS  22           H        LYS  22   2.872   3.797  -1.020
  142    HA   LYS  22           HA       LYS  22   1.847   6.224   0.125
  143    HB2  LYS  22           HB2      LYS  22   1.783   5.148  -2.686
  144    HB3  LYS  22           HB1      LYS  22   1.024   6.663  -2.223
  145    HG2  LYS  22           HG2      LYS  22   3.849   6.001  -1.822
  146    HG3  LYS  22           HG1      LYS  22   3.252   6.865  -3.274
  147    HD2  LYS  22           HD2      LYS  22   2.368   8.604  -1.672
  148    HD3  LYS  22           HD1      LYS  22   3.196   7.750  -0.374
  149    HE2  LYS  22           HE2      LYS  22   5.348   8.105  -1.454
  150    HE3  LYS  22           HE1      LYS  22   4.560   8.872  -2.827
  151    HZ1  LYS  22           HZ1      LYS  22   3.869  10.686  -1.373
  152    HZ2  LYS  22           HZ2      LYS  22   5.535  10.468  -1.315
  153    HZ3  LYS  22           HZ3      LYS  22   4.590   9.931  -0.043
  154    H    ARG  23           H        ARG  23   0.093   6.205   1.091
  155    HA   ARG  23           HA       ARG  23  -1.759   4.078   0.757
  156    HB2  ARG  23           HB2      ARG  23  -2.065   6.535   2.484
  157    HB3  ARG  23           HB1      ARG  23  -3.007   5.057   2.598
  158    HG2  ARG  23           HG2      ARG  23  -1.545   4.654   4.313
  159    HG3  ARG  23           HG1      ARG  23  -0.577   4.035   2.972
  160    HD2  ARG  23           HD2      ARG  23   0.633   6.123   2.811
  161    HD3  ARG  23           HD1      ARG  23  -0.368   6.831   4.080
  162    HE   ARG  23           HE       ARG  23   1.433   4.537   4.515
  163   HH11  ARG  23          HH11      ARG  23   0.267   7.750   5.500
  164   HH12  ARG  23          HH12      ARG  23   1.070   7.716   6.995
  165   HH21  ARG  23          HH21      ARG  23   2.511   4.513   6.561
  166   HH22  ARG  23          HH22      ARG  23   2.367   5.837   7.633
  167    H    LYS  24           H        LYS  24  -1.191   6.919  -0.725
  168    HA   LYS  24           HA       LYS  24  -3.993   7.489  -1.330
  169    HB2  LYS  24           HB2      LYS  24  -2.535   9.412  -0.922
  170    HB3  LYS  24           HB1      LYS  24  -1.425   8.871  -2.167
  171    HG2  LYS  24           HG2      LYS  24  -2.778  10.748  -2.937
  172    HG3  LYS  24           HG1      LYS  24  -3.115   9.295  -3.877
  173    HD2  LYS  24           HD2      LYS  24  -5.131   8.911  -2.520
  174    HD3  LYS  24           HD1      LYS  24  -4.798  10.396  -1.622
  175    HE2  LYS  24           HE2      LYS  24  -4.997  11.686  -3.690
  176    HE3  LYS  24           HE1      LYS  24  -5.301  10.211  -4.595
  177    HZ1  LYS  24           HZ1      LYS  24  -7.316   9.877  -3.288
  178    HZ2  LYS  24           HZ2      LYS  24  -7.359  11.363  -4.081
  179    HZ3  LYS  24           HZ3      LYS  24  -7.031  11.304  -2.439
  180    H    MET  25           H        MET  25  -1.240   5.906  -2.526
  181    HA   MET  25           HA       MET  25  -2.439   5.750  -5.179
  182    HB2  MET  25           HB2      MET  25   0.423   5.799  -4.360
  183    HB3  MET  25           HB1      MET  25  -0.103   5.326  -5.959
  184    HG2  MET  25           HG2      MET  25  -0.523   7.990  -4.628
  185    HG3  MET  25           HG1      MET  25   0.558   7.634  -5.976
  186    HE1  MET  25           HE1      MET  25  -1.988   6.818  -8.857
  187    HE2  MET  25           HE2      MET  25  -1.337   5.638  -7.725
  188    HE3  MET  25           HE3      MET  25  -0.291   6.897  -8.382
  189    H    LYS  26           H        LYS  26  -1.862   3.842  -2.473
  190    HA   LYS  26           HA       LYS  26  -1.760   1.737  -2.042
  191    HB2  LYS  26           HB2      LYS  26  -3.340   1.737  -4.561
  192    HB3  LYS  26           HB1      LYS  26  -2.857   0.197  -3.857
  193    HG2  LYS  26           HG2      LYS  26  -5.076   0.830  -3.050
  194    HG3  LYS  26           HG1      LYS  26  -3.838   0.839  -1.774
  195    HD2  LYS  26           HD2      LYS  26  -3.619   3.194  -1.943
  196    HD3  LYS  26           HD1      LYS  26  -4.861   3.255  -3.188
  197    HE2  LYS  26           HE2      LYS  26  -5.780   3.812  -0.970
  198    HE3  LYS  26           HE1      LYS  26  -6.530   2.366  -1.649
  199    HZ1  LYS  26           HZ1      LYS  26  -4.347   2.355   0.392
  200    HZ2  LYS  26           HZ2      LYS  26  -5.167   0.996  -0.198
  201    HZ3  LYS  26           HZ3      LYS  26  -5.980   2.136   0.704
  202    H    TYR  27           H        TYR  27   0.488   2.795  -3.090
  203    HA   TYR  27           HA       TYR  27   1.677   0.256  -3.738
  204    HB2  TYR  27           HB2      TYR  27   3.021   0.803  -5.639
  205    HB3  TYR  27           HB1      TYR  27   1.346   1.028  -6.044
  206    HD1  TYR  27           HD1      TYR  27   0.627   3.181  -6.869
  207    HD2  TYR  27           HD2      TYR  27   4.523   2.747  -5.240
  208    HE1  TYR  27           HE1      TYR  27   1.253   5.387  -7.761
  209    HE2  TYR  27           HE2      TYR  27   5.154   4.941  -6.112
  210    HH   TYR  27           HH       TYR  27   2.851   7.149  -7.378
  211    H    CYS  28           H        CYS  28   3.787   0.030  -3.592
  212    HA   CYS  28           HA       CYS  28   4.846   1.518  -1.387
  213    HB2  CYS  28           HB2      CYS  28   6.123  -0.704  -2.972
  214    HB3  CYS  28           HB1      CYS  28   6.587  -0.144  -1.368
  215    H    ALA  29           H        ALA  29   6.305   3.030  -1.445
  216    HA   ALA  29           HA       ALA  29   7.787   3.593  -3.912
  217    HB1  ALA  29           HB1      ALA  29   6.005   5.264  -3.585
  218    HB2  ALA  29           HB2      ALA  29   7.584   5.995  -3.333
  219    HB3  ALA  29           HB3      ALA  29   6.580   5.566  -1.947
  220    H    TRP  30           H        TRP  30   9.750   5.186  -3.078
  221    HA   TRP  30           HA       TRP  30  11.165   3.451  -1.358
  222    HB2  TRP  30           HB2      TRP  30  11.997   6.037  -2.625
  223    HB3  TRP  30           HB1      TRP  30  13.050   5.100  -1.578
  224    HD1  TRP  30           HD       TRP  30  12.091   5.424  -5.074
  225    HE1  TRP  30           HE1      TRP  30  13.006   3.419  -6.440
  226    HE3  TRP  30           HE3      TRP  30  13.253   2.527  -1.277
  227    HZ2  TRP  30           HZ2      TRP  30  14.111   0.842  -5.872
  228    HZ3  TRP  30           HZ3      TRP  30  14.252   0.234  -1.642
  229    HH2  TRP  30           HH       TRP  30  14.657  -0.568  -3.901
  230    H    ASP  31           H        ASP  31   9.066   5.789  -0.609
  231    HA   ASP  31           HA       ASP  31   9.347   5.561   2.074
  232    HB2  ASP  31           HB2      ASP  31  10.041   7.764   2.775
  233    HB3  ASP  31           HB1      ASP  31  11.257   7.248   1.620
  234    H    PHE  32           H        PHE  32   7.576   6.832   2.945
  235    HA   PHE  32           HA       PHE  32   5.571   7.122   0.828
  236    HB2  PHE  32           HB2      PHE  32   3.807   6.851   2.533
  237    HB3  PHE  32           HB1      PHE  32   4.905   5.487   2.476
  238    HD1  PHE  32           HD1      PHE  32   6.147   4.847   4.403
  239    HD2  PHE  32           HD2      PHE  32   3.914   8.467   4.419
  240    HE1  PHE  32           HE1      PHE  32   6.432   5.007   6.836
  241    HE2  PHE  32           HE2      PHE  32   4.200   8.636   6.855
  242    HZ   PHE  32           HZ       PHE  32   5.458   6.904   8.066
  243    H    THR  33           H        THR  33   7.443   9.107   2.604
  244    HA   THR  33           HA       THR  33   5.427  11.095   3.132
  245    HB   THR  33           HB       THR  33   7.425  12.438   3.980
  246    HG1  THR  33           HG1      THR  33   8.772  10.385   2.817
  247   HG21  THR  33          HG21      THR  33   7.580  11.110   6.054
  248   HG22  THR  33          HG22      THR  33   6.852   9.736   5.224
  249   HG23  THR  33          HG23      THR  33   5.915  11.206   5.482
  250    H    PHE  34           H        PHE  34   8.575  12.055   1.976
  251    HA   PHE  34           HA       PHE  34   7.450  13.026  -0.521
  252    HB2  PHE  34           HB2      PHE  34   8.982  14.755   1.450
  253    HB3  PHE  34           HB1      PHE  34   8.594  15.223  -0.198
  254    HD1  PHE  34           HD1      PHE  34   6.205  15.575  -0.835
  255    HD2  PHE  34           HD2      PHE  34   7.415  14.986   3.203
  256    HE1  PHE  34           HE1      PHE  34   4.069  16.518  -0.061
  257    HE2  PHE  34           HE2      PHE  34   5.281  15.925   3.983
  258    HZ   PHE  34           HZ       PHE  34   3.604  16.692   2.351
  259    H    THR  35           H        THR  35   8.640  11.929  -1.876
  260    HA   THR  35           HA       THR  35  11.368  11.198  -1.379
  261    HB   THR  35           HB       THR  35   9.658  10.951  -3.860
  262    HG1  THR  35           HG1      THR  35  10.037   9.363  -1.555
  263   HG21  THR  35          HG21      THR  35  11.233   9.176  -4.507
  264   HG22  THR  35          HG22      THR  35  12.190   9.502  -3.062
  265   HG23  THR  35          HG23      THR  35  12.060  10.723  -4.330
  Start of MODEL    7
    1    H1   ASP   1           HT1      ASP   1   8.915 -13.144   2.096
    2    H2   ASP   1           HT2      ASP   1   7.333 -12.565   2.280
    3    H3   ASP   1           HT3      ASP   1   8.619 -11.706   2.922
    4    HA   ASP   1           HA       ASP   1   9.461 -11.172   0.814
    5    HB2  ASP   1           HB2      ASP   1   8.761 -13.156  -0.425
    6    HB3  ASP   1           HB1      ASP   1   7.069 -12.715  -0.211
    7    H    CYS   2           H        CYS   2   8.977  -9.119   0.228
    8    HA   CYS   2           HA       CYS   2   6.412  -8.030   1.150
    9    HB2  CYS   2           HB2      CYS   2   7.769  -5.976   1.313
   10    HB3  CYS   2           HB1      CYS   2   8.085  -7.199   2.537
   11    H    ARG   3           H        ARG   3   5.849  -6.101   0.084
   12    HA   ARG   3           HA       ARG   3   6.043  -6.370  -2.781
   13    HB2  ARG   3           HB2      ARG   3   4.596  -4.402  -1.008
   14    HB3  ARG   3           HB1      ARG   3   4.547  -4.353  -2.760
   15    HG2  ARG   3           HG2      ARG   3   3.599  -6.658  -1.077
   16    HG3  ARG   3           HG1      ARG   3   2.562  -5.395  -1.746
   17    HD2  ARG   3           HD2      ARG   3   3.358  -6.018  -4.010
   18    HD3  ARG   3           HD1      ARG   3   4.250  -7.357  -3.291
   19    HE   ARG   3           HE       ARG   3   1.716  -7.668  -2.392
   20   HH11  ARG   3          HH11      ARG   3   3.182  -7.430  -5.607
   21   HH12  ARG   3          HH12      ARG   3   1.991  -8.382  -6.363
   22   HH21  ARG   3          HH21      ARG   3   0.079  -8.988  -3.459
   23   HH22  ARG   3          HH22      ARG   3   0.214  -9.270  -5.137
   24    H    TYR   4           H        TYR   4   7.482  -5.332  -3.984
   25    HA   TYR   4           HA       TYR   4   9.144  -3.441  -2.712
   26    HB2  TYR   4           HB2      TYR   4   9.204  -4.883  -5.342
   27    HB3  TYR   4           HB1      TYR   4  10.342  -3.637  -4.886
   28    HD1  TYR   4           HD1      TYR   4  11.748  -3.989  -2.724
   29    HD2  TYR   4           HD2      TYR   4   9.582  -7.118  -4.670
   30    HE1  TYR   4           HE1      TYR   4  13.128  -5.607  -1.622
   31    HE2  TYR   4           HE2      TYR   4  10.988  -8.772  -3.511
   32    HH   TYR   4           HH       TYR   4  13.060  -7.883  -0.934
   33    H    MET   5           H        MET   5   9.746  -1.969  -5.108
   34    HA   MET   5           HA       MET   5   7.823   0.058  -4.673
   35    HB2  MET   5           HB2      MET   5  10.338   0.280  -5.396
   36    HB3  MET   5           HB1      MET   5   9.706   0.003  -7.004
   37    HG2  MET   5           HG2      MET   5   8.290   1.942  -6.827
   38    HG3  MET   5           HG1      MET   5   8.846   2.200  -5.172
   39    HE1  MET   5           HE1      MET   5   8.928   4.551  -7.098
   40    HE2  MET   5           HE2      MET   5  10.579   5.163  -6.900
   41    HE3  MET   5           HE3      MET   5   9.676   4.612  -5.493
   42    H    PHE   6           H        PHE   6   6.150   0.633  -5.688
   43    HA   PHE   6           HA       PHE   6   4.444   0.814  -7.098
   44    HB2  PHE   6           HB2      PHE   6   5.989  -0.897  -9.074
   45    HB3  PHE   6           HB1      PHE   6   4.498  -0.030  -9.425
   46    HD1  PHE   6           HD1      PHE   6   4.517   2.490  -9.272
   47    HD2  PHE   6           HD2      PHE   6   8.062   0.158  -9.217
   48    HE1  PHE   6           HE1      PHE   6   5.835   4.486  -9.862
   49    HE2  PHE   6           HE2      PHE   6   9.392   2.117  -9.784
   50    HZ   PHE   6           HZ       PHE   6   8.282   4.307 -10.123
   51    H    GLY   7           H        GLY   7   5.391  -1.885  -5.576
   52    HA2  GLY   7           HA2      GLY   7   3.345  -3.688  -6.417
   53    HA3  GLY   7           HA1      GLY   7   4.329  -3.809  -4.957
   54    H    ASP   8           H        ASP   8   1.423  -4.119  -5.401
   55    HA   ASP   8           HA       ASP   8   0.009  -1.880  -4.369
   56    HB2  ASP   8           HB2      ASP   8  -1.054  -3.415  -5.670
   57    HB3  ASP   8           HB1      ASP   8  -0.700  -4.793  -4.615
   58    H    CYS   9           H        CYS   9  -0.820  -1.489  -2.360
   59    HA   CYS   9           HA       CYS   9  -0.036  -3.255  -0.211
   60    HB2  CYS   9           HB2      CYS   9   1.230  -1.539   0.935
   61    HB3  CYS   9           HB1      CYS   9   1.795  -1.820  -0.732
   62    H    GLU  10           H        GLU  10  -1.038  -2.684   1.796
   63    HA   GLU  10           HA       GLU  10  -3.288  -0.807   1.615
   64    HB2  GLU  10           HB2      GLU  10  -2.965  -3.438   3.003
   65    HB3  GLU  10           HB1      GLU  10  -4.104  -2.249   3.623
   66    HG2  GLU  10           HG2      GLU  10  -4.127  -3.287   0.819
   67    HG3  GLU  10           HG1      GLU  10  -5.059  -4.007   2.127
   68    H    LYS  11           H        LYS  11  -0.532  -2.032   3.388
   69    HA   LYS  11           HA       LYS  11  -0.402   0.431   4.841
   70    HB2  LYS  11           HB2      LYS  11   0.063  -0.876   6.961
   71    HB3  LYS  11           HB1      LYS  11  -1.609  -0.857   6.440
   72    HG2  LYS  11           HG2      LYS  11  -1.360  -3.074   5.498
   73    HG3  LYS  11           HG1      LYS  11   0.333  -3.108   5.992
   74    HD2  LYS  11           HD2      LYS  11  -0.289  -2.997   8.302
   75    HD3  LYS  11           HD1      LYS  11  -1.992  -2.774   7.884
   76    HE2  LYS  11           HE2      LYS  11  -2.070  -5.001   6.929
   77    HE3  LYS  11           HE1      LYS  11  -0.342  -5.212   7.223
   78    HZ1  LYS  11           HZ1      LYS  11  -0.750  -5.058   9.557
   79    HZ2  LYS  11           HZ2      LYS  11  -1.722  -6.297   8.925
   80    HZ3  LYS  11           HZ3      LYS  11  -2.389  -4.795   9.321
   81    H    ASP  12           H        ASP  12   1.764   0.128   6.239
   82    HA   ASP  12           HA       ASP  12   3.715  -0.131   4.180
   83    HB2  ASP  12           HB2      ASP  12   3.955   0.608   7.072
   84    HB3  ASP  12           HB1      ASP  12   5.373   0.419   6.044
   85    H    GLU  13           H        GLU  13   2.479  -2.273   6.421
   86    HA   GLU  13           HA       GLU  13   4.689  -4.017   6.815
   87    HB2  GLU  13           HB2      GLU  13   1.760  -4.540   6.703
   88    HB3  GLU  13           HB1      GLU  13   2.918  -5.808   6.994
   89    HG2  GLU  13           HG2      GLU  13   3.725  -4.628   8.995
   90    HG3  GLU  13           HG1      GLU  13   2.507  -3.380   8.734
   91    H    ASP  14           H        ASP  14   2.459  -3.536   4.250
   92    HA   ASP  14           HA       ASP  14   2.918  -5.983   2.919
   93    HB2  ASP  14           HB2      ASP  14   1.916  -3.359   1.784
   94    HB3  ASP  14           HB1      ASP  14   1.872  -4.943   1.016
   95    H    CYS  15           H        CYS  15   4.482  -2.900   2.978
   96    HA   CYS  15           HA       CYS  15   6.111  -3.547   0.647
   97    HB2  CYS  15           HB2      CYS  15   6.276  -1.077   2.328
   98    HB3  CYS  15           HB1      CYS  15   6.819  -1.321   0.691
   99    H    CYS  16           H        CYS  16   8.329  -3.553   0.777
  100    HA   CYS  16           HA       CYS  16   9.598  -4.721   2.931
  101    HB2  CYS  16           HB2      CYS  16  10.905  -3.025   0.833
  102    HB3  CYS  16           HB1      CYS  16  11.605  -4.376   1.633
  103    H    LYS  17           H        LYS  17  11.732  -3.600   3.781
  104    HA   LYS  17           HA       LYS  17  10.757  -1.766   5.750
  105    HB2  LYS  17           HB2      LYS  17  13.632  -2.538   5.260
  106    HB3  LYS  17           HB1      LYS  17  12.949  -1.837   6.719
  107    HG2  LYS  17           HG2      LYS  17  11.420  -3.869   6.643
  108    HG3  LYS  17           HG1      LYS  17  12.648  -4.555   5.611
  109    HD2  LYS  17           HD2      LYS  17  13.358  -3.437   8.336
  110    HD3  LYS  17           HD1      LYS  17  12.888  -5.111   8.118
  111    HE2  LYS  17           HE2      LYS  17  15.288  -4.942   8.225
  112    HE3  LYS  17           HE1      LYS  17  14.832  -5.423   6.605
  113    HZ1  LYS  17           HZ1      LYS  17  16.602  -3.805   6.648
  114    HZ2  LYS  17           HZ2      LYS  17  15.661  -2.703   7.471
  115    HZ3  LYS  17           HZ3      LYS  17  15.268  -3.148   5.864
  116    H    HIS  18           H        HIS  18  12.812  -1.539   3.084
  117    HA   HIS  18           HA       HIS  18  13.485   1.253   3.608
  118    HB2  HIS  18           HB2      HIS  18  14.303  -0.407   1.202
  119    HB3  HIS  18           HB1      HIS  18  14.981   1.140   1.681
  120    HD1  HIS  18           HD1      HIS  18  16.428  -1.797   1.459
  121    HD2  HIS  18           HD2      HIS  18  15.473   0.342   4.886
  122    HE1  HIS  18           HE1      HIS  18  17.936  -2.686   3.278
  123    H    LEU  19           H        LEU  19  10.784   0.068   2.611
  124    HA   LEU  19           HA       LEU  19  10.257   2.101   0.553
  125    HB2  LEU  19           HB2      LEU  19   9.173  -0.720   0.730
  126    HB3  LEU  19           HB1      LEU  19   8.643   0.478  -0.417
  127    HG   LEU  19           HG       LEU  19  11.502  -0.529  -0.347
  128   HD11  LEU  19          HD11      LEU  19   9.968  -2.392  -0.803
  129   HD12  LEU  19          HD12      LEU  19  10.926  -1.891  -2.211
  130   HD13  LEU  19          HD13      LEU  19   9.236  -1.410  -2.085
  131   HD21  LEU  19          HD21      LEU  19  11.536   0.263  -2.615
  132   HD22  LEU  19          HD22      LEU  19  11.187   1.576  -1.487
  133   HD23  LEU  19          HD23      LEU  19   9.886   0.858  -2.457
  134    H    GLY  20           H        GLY  20   7.960   2.672   0.510
  135    HA2  GLY  20           HA2      GLY  20   6.570   2.182   3.043
  136    HA3  GLY  20           HA1      GLY  20   6.859   3.844   2.533
  137    H    CYS  21           H        CYS  21   4.370   2.514   2.931
  138    HA   CYS  21           HA       CYS  21   3.322   1.995   0.261
  139    HB2  CYS  21           HB2      CYS  21   2.615   0.541   2.057
  140    HB3  CYS  21           HB1      CYS  21   2.027   1.909   2.989
  141    H    LYS  22           H        LYS  22   2.971   3.765  -0.953
  142    HA   LYS  22           HA       LYS  22   2.192   6.359  -0.041
  143    HB2  LYS  22           HB2      LYS  22   1.763   4.989  -2.641
  144    HB3  LYS  22           HB1      LYS  22   1.378   6.677  -2.379
  145    HG2  LYS  22           HG2      LYS  22   4.030   5.560  -1.912
  146    HG3  LYS  22           HG1      LYS  22   3.552   6.115  -3.545
  147    HD2  LYS  22           HD2      LYS  22   3.112   8.364  -2.509
  148    HD3  LYS  22           HD1      LYS  22   3.770   7.750  -0.988
  149    HE2  LYS  22           HE2      LYS  22   5.915   7.386  -1.988
  150    HE3  LYS  22           HE1      LYS  22   5.292   7.769  -3.590
  151    HZ1  LYS  22           HZ1      LYS  22   4.939  10.035  -2.829
  152    HZ2  LYS  22           HZ2      LYS  22   6.543   9.576  -2.684
  153    HZ3  LYS  22           HZ3      LYS  22   5.578   9.661  -1.313
  154    H    ARG  23           H        ARG  23   0.403   6.740   0.891
  155    HA   ARG  23           HA       ARG  23  -1.800   5.009   1.047
  156    HB2  ARG  23           HB2      ARG  23  -2.017   7.950   1.540
  157    HB3  ARG  23           HB1      ARG  23  -2.860   6.646   2.340
  158    HG2  ARG  23           HG2      ARG  23   0.008   7.468   2.710
  159    HG3  ARG  23           HG1      ARG  23  -1.314   7.653   3.856
  160    HD2  ARG  23           HD2      ARG  23  -1.503   5.152   3.802
  161    HD3  ARG  23           HD1      ARG  23   0.041   5.165   2.926
  162    HE   ARG  23           HE       ARG  23  -0.161   6.570   5.480
  163   HH11  ARG  23          HH11      ARG  23   1.358   3.973   3.628
  164   HH12  ARG  23          HH12      ARG  23   2.339   3.479   4.964
  165   HH21  ARG  23          HH21      ARG  23   1.224   5.844   7.234
  166   HH22  ARG  23          HH22      ARG  23   2.273   4.530   6.960
  167    H    LYS  24           H        LYS  24  -0.884   7.261  -1.242
  168    HA   LYS  24           HA       LYS  24  -3.680   7.990  -1.836
  169    HB2  LYS  24           HB2      LYS  24  -1.172   9.185  -3.007
  170    HB3  LYS  24           HB1      LYS  24  -2.805   9.737  -3.316
  171    HG2  LYS  24           HG2      LYS  24  -1.370   9.802  -0.671
  172    HG3  LYS  24           HG1      LYS  24  -1.647  11.173  -1.729
  173    HD2  LYS  24           HD2      LYS  24  -3.840   9.566  -0.386
  174    HD3  LYS  24           HD1      LYS  24  -3.163  11.047   0.263
  175    HE2  LYS  24           HE2      LYS  24  -5.168  11.715  -0.778
  176    HE3  LYS  24           HE1      LYS  24  -3.913  12.155  -1.923
  177    HZ1  LYS  24           HZ1      LYS  24  -4.494  10.212  -3.265
  178    HZ2  LYS  24           HZ2      LYS  24  -5.852  11.127  -2.964
  179    HZ3  LYS  24           HZ3      LYS  24  -5.618   9.716  -2.104
  180    H    MET  25           H        MET  25  -1.181   6.063  -2.906
  181    HA   MET  25           HA       MET  25  -2.510   5.741  -5.496
  182    HB2  MET  25           HB2      MET  25   0.318   5.115  -4.694
  183    HB3  MET  25           HB1      MET  25  -0.393   4.776  -6.243
  184    HG2  MET  25           HG2      MET  25   0.903   6.689  -6.559
  185    HG3  MET  25           HG1      MET  25  -0.747   7.282  -6.461
  186    HE1  MET  25           HE1      MET  25   1.593  10.061  -4.936
  187    HE2  MET  25           HE2      MET  25   0.439   9.672  -6.218
  188    HE3  MET  25           HE3      MET  25   2.019   8.887  -6.184
  189    H    LYS  26           H        LYS  26  -1.400   4.280  -2.601
  190    HA   LYS  26           HA       LYS  26  -1.411   2.365  -1.686
  191    HB2  LYS  26           HB2      LYS  26  -3.518   1.666  -3.724
  192    HB3  LYS  26           HB1      LYS  26  -2.939   0.495  -2.550
  193    HG2  LYS  26           HG2      LYS  26  -4.251   3.132  -1.919
  194    HG3  LYS  26           HG1      LYS  26  -4.990   1.531  -1.784
  195    HD2  LYS  26           HD2      LYS  26  -3.233   0.910  -0.138
  196    HD3  LYS  26           HD1      LYS  26  -2.619   2.558  -0.217
  197    HE2  LYS  26           HE2      LYS  26  -4.041   2.247   1.722
  198    HE3  LYS  26           HE1      LYS  26  -4.744   3.406   0.596
  199    HZ1  LYS  26           HZ1      LYS  26  -6.377   1.840   1.473
  200    HZ2  LYS  26           HZ2      LYS  26  -5.542   0.538   0.801
  201    HZ3  LYS  26           HZ3      LYS  26  -6.236   1.709  -0.190
  202    H    TYR  27           H        TYR  27   0.645   2.892  -2.860
  203    HA   TYR  27           HA       TYR  27   1.519   0.235  -3.515
  204    HB2  TYR  27           HB2      TYR  27   2.813   0.602  -5.496
  205    HB3  TYR  27           HB1      TYR  27   1.172   1.063  -5.833
  206    HD1  TYR  27           HD1      TYR  27   0.856   3.122  -6.981
  207    HD2  TYR  27           HD2      TYR  27   4.490   2.524  -4.870
  208    HE1  TYR  27           HE1      TYR  27   1.753   5.191  -7.924
  209    HE2  TYR  27           HE2      TYR  27   5.386   4.599  -5.802
  210    HH   TYR  27           HH       TYR  27   5.069   6.067  -7.583
  211    H    CYS  28           H        CYS  28   3.773  -0.045  -3.595
  212    HA   CYS  28           HA       CYS  28   4.862   1.380  -1.341
  213    HB2  CYS  28           HB2      CYS  28   6.005  -0.922  -2.912
  214    HB3  CYS  28           HB1      CYS  28   6.542  -0.354  -1.333
  215    H    ALA  29           H        ALA  29   6.146   3.003  -1.531
  216    HA   ALA  29           HA       ALA  29   7.791   3.321  -3.941
  217    HB1  ALA  29           HB1      ALA  29   6.029   5.029  -3.835
  218    HB2  ALA  29           HB2      ALA  29   7.619   5.747  -3.574
  219    HB3  ALA  29           HB3      ALA  29   6.546   5.445  -2.202
  220    H    TRP  30           H        TRP  30   9.407   5.415  -2.762
  221    HA   TRP  30           HA       TRP  30  10.912   3.629  -1.149
  222    HB2  TRP  30           HB2      TRP  30  11.610   6.378  -2.139
  223    HB3  TRP  30           HB1      TRP  30  12.646   5.454  -1.064
  224    HD1  TRP  30           HD       TRP  30  11.909   5.901  -4.648
  225    HE1  TRP  30           HE1      TRP  30  13.160   4.099  -6.027
  226    HE3  TRP  30           HE3      TRP  30  13.211   2.950  -0.904
  227    HZ2  TRP  30           HZ2      TRP  30  14.537   1.649  -5.502
  228    HZ3  TRP  30           HZ3      TRP  30  14.526   0.841  -1.322
  229    HH2  TRP  30           HH       TRP  30  15.156   0.232  -3.593
  230    H    ASP  31           H        ASP  31   8.506   5.689  -0.358
  231    HA   ASP  31           HA       ASP  31   8.735   5.077   2.284
  232    HB2  ASP  31           HB2      ASP  31   9.126   7.164   3.310
  233    HB3  ASP  31           HB1      ASP  31  10.356   7.051   2.058
  234    H    PHE  32           H        PHE  32   6.957   6.614   3.255
  235    HA   PHE  32           HA       PHE  32   4.662   6.018   1.508
  236    HB2  PHE  32           HB2      PHE  32   3.312   5.906   3.583
  237    HB3  PHE  32           HB1      PHE  32   4.611   4.727   3.500
  238    HD1  PHE  32           HD1      PHE  32   6.327   4.685   5.127
  239    HD2  PHE  32           HD2      PHE  32   3.541   7.913   5.092
  240    HE1  PHE  32           HE1      PHE  32   7.124   5.402   7.339
  241    HE2  PHE  32           HE2      PHE  32   4.323   8.617   7.289
  242    HZ   PHE  32           HZ       PHE  32   6.122   7.370   8.425
  243    H    THR  33           H        THR  33   6.289   8.757   2.413
  244    HA   THR  33           HA       THR  33   4.037  10.324   3.176
  245    HB   THR  33           HB       THR  33   6.781  11.312   2.369
  246    HG1  THR  33           HG1      THR  33   7.240   9.910   3.861
  247   HG21  THR  33          HG21      THR  33   4.712  12.317   4.321
  248   HG22  THR  33          HG22      THR  33   5.027  13.028   2.735
  249   HG23  THR  33          HG23      THR  33   6.264  13.094   4.000
  250    H    PHE  34           H        PHE  34   3.163  12.035   1.991
  251    HA   PHE  34           HA       PHE  34   3.616  12.082  -0.891
  252    HB2  PHE  34           HB2      PHE  34   1.649  10.661  -0.476
  253    HB3  PHE  34           HB1      PHE  34   0.967  11.890   0.572
  254    HD1  PHE  34           HD1      PHE  34  -0.324  13.666  -0.311
  255    HD2  PHE  34           HD2      PHE  34   1.799  11.074  -2.924
  256    HE1  PHE  34           HE1      PHE  34  -1.554  14.599  -2.226
  257    HE2  PHE  34           HE2      PHE  34   0.576  12.007  -4.845
  258    HZ   PHE  34           HZ       PHE  34  -1.102  13.769  -4.497
  259    H    THR  35           H        THR  35   3.261  14.178  -1.732
  260    HA   THR  35           HA       THR  35   2.369  16.255   0.078
  261    HB   THR  35           HB       THR  35   5.045  16.396  -1.358
  262    HG1  THR  35           HG1      THR  35   4.282  15.528   1.129
  263   HG21  THR  35          HG21      THR  35   3.904  18.579  -1.144
  264   HG22  THR  35          HG22      THR  35   5.337  18.497  -0.121
  265   HG23  THR  35          HG23      THR  35   3.734  18.310   0.592
  Start of MODEL    8
    1    H1   ASP   1           HT1      ASP   1   5.752 -12.500   2.008
    2    H2   ASP   1           HT2      ASP   1   6.672 -11.769   3.197
    3    H3   ASP   1           HT3      ASP   1   7.224 -13.197   2.483
    4    HA   ASP   1           HA       ASP   1   8.416 -11.318   1.621
    5    HB2  ASP   1           HB2      ASP   1   7.990 -11.615  -0.772
    6    HB3  ASP   1           HB1      ASP   1   7.869 -13.169   0.037
    7    H    CYS   2           H        CYS   2   8.390  -9.265   0.638
    8    HA   CYS   2           HA       CYS   2   5.950  -7.751   1.200
    9    HB2  CYS   2           HB2      CYS   2   7.556  -5.902   1.337
   10    HB3  CYS   2           HB1      CYS   2   7.700  -7.096   2.623
   11    H    ARG   3           H        ARG   3   5.866  -5.786  -0.000
   12    HA   ARG   3           HA       ARG   3   6.270  -6.250  -2.839
   13    HB2  ARG   3           HB2      ARG   3   4.331  -4.756  -1.189
   14    HB3  ARG   3           HB1      ARG   3   4.819  -3.965  -2.674
   15    HG2  ARG   3           HG2      ARG   3   2.776  -5.248  -2.982
   16    HG3  ARG   3           HG1      ARG   3   4.089  -5.878  -3.967
   17    HD2  ARG   3           HD2      ARG   3   2.855  -7.692  -3.052
   18    HD3  ARG   3           HD1      ARG   3   4.441  -7.645  -2.288
   19    HE   ARG   3           HE       ARG   3   3.332  -6.612  -0.351
   20   HH11  ARG   3          HH11      ARG   3   1.324  -8.437  -2.642
   21   HH12  ARG   3          HH12      ARG   3   0.179  -8.924  -1.489
   22   HH21  ARG   3          HH21      ARG   3   1.765  -7.330   1.263
   23   HH22  ARG   3          HH22      ARG   3   0.419  -8.242   0.791
   24    H    TYR   4           H        TYR   4   7.615  -5.006  -4.001
   25    HA   TYR   4           HA       TYR   4   9.191  -3.073  -2.629
   26    HB2  TYR   4           HB2      TYR   4   9.303  -4.430  -5.312
   27    HB3  TYR   4           HB1      TYR   4  10.414  -3.174  -4.814
   28    HD1  TYR   4           HD1      TYR   4   9.636  -6.665  -4.657
   29    HD2  TYR   4           HD2      TYR   4  11.876  -3.596  -2.754
   30    HE1  TYR   4           HE1      TYR   4  11.017  -8.364  -3.540
   31    HE2  TYR   4           HE2      TYR   4  13.262  -5.281  -1.650
   32    HH   TYR   4           HH       TYR   4  12.972  -7.683  -0.950
   33    H    MET   5           H        MET   5   9.706  -1.498  -4.967
   34    HA   MET   5           HA       MET   5   7.578   0.347  -4.635
   35    HB2  MET   5           HB2      MET   5  10.086   0.769  -5.332
   36    HB3  MET   5           HB1      MET   5   9.477   0.484  -6.949
   37    HG2  MET   5           HG2      MET   5   7.909   2.301  -6.703
   38    HG3  MET   5           HG1      MET   5   8.435   2.530  -5.037
   39    HE1  MET   5           HE1      MET   5   8.358   5.055  -6.581
   40    HE2  MET   5           HE2      MET   5   9.995   5.713  -6.410
   41    HE3  MET   5           HE3      MET   5   9.219   4.931  -5.038
   42    H    PHE   6           H        PHE   6   5.891   0.781  -5.733
   43    HA   PHE   6           HA       PHE   6   4.198   0.700  -7.174
   44    HB2  PHE   6           HB2      PHE   6   6.053  -0.795  -9.045
   45    HB3  PHE   6           HB1      PHE   6   4.451  -0.210  -9.479
   46    HD1  PHE   6           HD1      PHE   6   4.020   2.216  -9.566
   47    HD2  PHE   6           HD2      PHE   6   7.914   0.644  -8.972
   48    HE1  PHE   6           HE1      PHE   6   4.990   4.390 -10.180
   49    HE2  PHE   6           HE2      PHE   6   8.902   2.784  -9.559
   50    HZ   PHE   6           HZ       PHE   6   7.442   4.690 -10.181
   51    H    GLY   7           H        GLY   7   5.196  -1.677  -5.392
   52    HA2  GLY   7           HA2      GLY   7   3.319  -3.671  -6.349
   53    HA3  GLY   7           HA1      GLY   7   4.343  -3.787  -4.913
   54    H    ASP   8           H        ASP   8   1.414  -4.160  -5.270
   55    HA   ASP   8           HA       ASP   8  -0.045  -1.960  -4.256
   56    HB2  ASP   8           HB2      ASP   8  -1.145  -3.622  -5.400
   57    HB3  ASP   8           HB1      ASP   8  -0.645  -4.911  -4.296
   58    H    CYS   9           H        CYS   9  -0.819  -1.480  -2.252
   59    HA   CYS   9           HA       CYS   9   0.052  -3.112  -0.019
   60    HB2  CYS   9           HB2      CYS   9   1.395  -1.407   0.980
   61    HB3  CYS   9           HB1      CYS   9   1.867  -1.660  -0.719
   62    H    GLU  10           H        GLU  10  -1.044  -2.582   1.929
   63    HA   GLU  10           HA       GLU  10  -3.041  -0.478   1.685
   64    HB2  GLU  10           HB2      GLU  10  -3.200  -3.053   3.228
   65    HB3  GLU  10           HB1      GLU  10  -4.383  -1.759   3.290
   66    HG2  GLU  10           HG2      GLU  10  -4.690  -2.079   0.814
   67    HG3  GLU  10           HG1      GLU  10  -3.708  -3.534   0.972
   68    H    LYS  11           H        LYS  11  -0.624  -2.144   3.618
   69    HA   LYS  11           HA       LYS  11  -0.507   0.221   5.257
   70    HB2  LYS  11           HB2      LYS  11   0.114  -1.267   7.185
   71    HB3  LYS  11           HB1      LYS  11  -1.564  -1.381   6.692
   72    HG2  LYS  11           HG2      LYS  11  -1.082  -3.442   5.505
   73    HG3  LYS  11           HG1      LYS  11   0.616  -3.321   5.960
   74    HD2  LYS  11           HD2      LYS  11   0.030  -3.519   8.305
   75    HD3  LYS  11           HD1      LYS  11  -1.689  -3.541   7.895
   76    HE2  LYS  11           HE2      LYS  11  -1.438  -5.622   6.734
   77    HE3  LYS  11           HE1      LYS  11   0.311  -5.569   6.927
   78    HZ1  LYS  11           HZ1      LYS  11  -1.670  -5.842   9.126
   79    HZ2  LYS  11           HZ2      LYS  11   0.021  -5.760   9.300
   80    HZ3  LYS  11           HZ3      LYS  11  -0.684  -7.062   8.483
   81    H    ASP  12           H        ASP  12   1.709  -0.031   6.501
   82    HA   ASP  12           HA       ASP  12   3.581   0.061   4.330
   83    HB2  ASP  12           HB2      ASP  12   4.091   0.463   7.275
   84    HB3  ASP  12           HB1      ASP  12   5.260   0.746   5.990
   85    H    GLU  13           H        GLU  13   2.609  -2.315   6.426
   86    HA   GLU  13           HA       GLU  13   5.028  -3.836   6.623
   87    HB2  GLU  13           HB2      GLU  13   2.201  -4.696   6.759
   88    HB3  GLU  13           HB1      GLU  13   3.554  -5.731   7.136
   89    HG2  GLU  13           HG2      GLU  13   4.223  -4.014   8.907
   90    HG3  GLU  13           HG1      GLU  13   2.627  -3.303   8.659
   91    H    ASP  14           H        ASP  14   2.575  -3.425   4.253
   92    HA   ASP  14           HA       ASP  14   2.969  -5.884   2.929
   93    HB2  ASP  14           HB2      ASP  14   1.865  -3.307   1.770
   94    HB3  ASP  14           HB1      ASP  14   1.863  -4.928   1.078
   95    H    CYS  15           H        CYS  15   4.588  -2.888   3.010
   96    HA   CYS  15           HA       CYS  15   6.057  -3.431   0.558
   97    HB2  CYS  15           HB2      CYS  15   6.351  -1.063   2.381
   98    HB3  CYS  15           HB1      CYS  15   6.848  -1.232   0.718
   99    H    CYS  16           H        CYS  16   8.281  -3.495   0.602
  100    HA   CYS  16           HA       CYS  16   9.508  -4.816   2.714
  101    HB2  CYS  16           HB2      CYS  16  10.784  -3.334   0.441
  102    HB3  CYS  16           HB1      CYS  16  11.517  -4.574   1.417
  103    H    LYS  17           H        LYS  17  11.838  -3.879   3.285
  104    HA   LYS  17           HA       LYS  17  11.345  -2.280   5.539
  105    HB2  LYS  17           HB2      LYS  17  13.981  -2.824   4.216
  106    HB3  LYS  17           HB1      LYS  17  13.731  -2.269   5.863
  107    HG2  LYS  17           HG2      LYS  17  12.789  -4.881   4.756
  108    HG3  LYS  17           HG1      LYS  17  14.279  -4.620   5.664
  109    HD2  LYS  17           HD2      LYS  17  12.910  -3.828   7.578
  110    HD3  LYS  17           HD1      LYS  17  11.449  -4.162   6.646
  111    HE2  LYS  17           HE2      LYS  17  11.841  -5.992   8.164
  112    HE3  LYS  17           HE1      LYS  17  12.132  -6.535   6.513
  113    HZ1  LYS  17           HZ1      LYS  17  13.851  -7.337   8.010
  114    HZ2  LYS  17           HZ2      LYS  17  14.238  -5.775   8.476
  115    HZ3  LYS  17           HZ3      LYS  17  14.520  -6.285   6.895
  116    H    HIS  18           H        HIS  18  13.187  -1.522   2.719
  117    HA   HIS  18           HA       HIS  18  13.648   1.199   3.491
  118    HB2  HIS  18           HB2      HIS  18  14.146  -0.179   0.859
  119    HB3  HIS  18           HB1      HIS  18  14.579   1.494   1.174
  120    HD1  HIS  18           HD1      HIS  18  16.100  -1.730   1.140
  121    HD2  HIS  18           HD2      HIS  18  16.322   1.573   3.645
  122    HE1  HIS  18           HE1      HIS  18  18.270  -1.927   2.370
  123    H    LEU  19           H        LEU  19  10.809  -0.010   2.542
  124    HA   LEU  19           HA       LEU  19  10.109   2.436   1.059
  125    HB2  LEU  19           HB2      LEU  19   9.113  -0.354   0.545
  126    HB3  LEU  19           HB1      LEU  19   8.444   1.082  -0.188
  127    HG   LEU  19           HG       LEU  19  10.998   1.347  -0.953
  128   HD11  LEU  19          HD11      LEU  19  11.911  -0.784  -1.632
  129   HD12  LEU  19          HD12      LEU  19  10.604  -1.620  -0.797
  130   HD13  LEU  19          HD13      LEU  19  11.776  -0.669   0.127
  131   HD21  LEU  19          HD21      LEU  19   8.930  -0.355  -2.299
  132   HD22  LEU  19          HD22      LEU  19  10.345   0.356  -3.073
  133   HD23  LEU  19          HD23      LEU  19   9.089   1.401  -2.402
  134    H    GLY  20           H        GLY  20   7.827   2.826   1.004
  135    HA2  GLY  20           HA2      GLY  20   6.445   2.008   3.437
  136    HA3  GLY  20           HA1      GLY  20   6.619   3.721   3.032
  137    H    CYS  21           H        CYS  21   4.135   2.545   3.235
  138    HA   CYS  21           HA       CYS  21   3.305   1.821   0.550
  139    HB2  CYS  21           HB2      CYS  21   2.410   0.538   2.385
  140    HB3  CYS  21           HB1      CYS  21   1.822   1.998   3.170
  141    H    LYS  22           H        LYS  22   2.612   3.344  -0.872
  142    HA   LYS  22           HA       LYS  22   1.919   5.917   0.202
  143    HB2  LYS  22           HB2      LYS  22   2.172   4.919  -2.606
  144    HB3  LYS  22           HB1      LYS  22   1.461   6.486  -2.233
  145    HG2  LYS  22           HG2      LYS  22   4.095   5.595  -1.303
  146    HG3  LYS  22           HG1      LYS  22   3.896   6.516  -2.818
  147    HD2  LYS  22           HD2      LYS  22   2.805   8.285  -1.406
  148    HD3  LYS  22           HD1      LYS  22   3.250   7.370   0.023
  149    HE2  LYS  22           HE2      LYS  22   5.595   7.592  -0.485
  150    HE3  LYS  22           HE1      LYS  22   5.232   8.338  -2.037
  151    HZ1  LYS  22           HZ1      LYS  22   5.883   9.962  -0.389
  152    HZ2  LYS  22           HZ2      LYS  22   4.609   9.576   0.622
  153    HZ3  LYS  22           HZ3      LYS  22   4.324  10.230  -0.897
  154    H    ARG  23           H        ARG  23   0.168   6.353   0.869
  155    HA   ARG  23           HA       ARG  23  -2.115   4.706   0.672
  156    HB2  ARG  23           HB2      ARG  23  -1.747   7.506   1.724
  157    HB3  ARG  23           HB1      ARG  23  -3.267   6.651   1.807
  158    HG2  ARG  23           HG2      ARG  23  -2.254   6.540   3.947
  159    HG3  ARG  23           HG1      ARG  23  -2.123   4.936   3.217
  160    HD2  ARG  23           HD2      ARG  23   0.202   5.246   2.824
  161    HD3  ARG  23           HD1      ARG  23   0.107   6.957   3.246
  162    HE   ARG  23           HE       ARG  23  -0.619   6.093   5.508
  163   HH11  ARG  23          HH11      ARG  23   1.695   4.358   3.509
  164   HH12  ARG  23          HH12      ARG  23   2.564   3.686   4.812
  165   HH21  ARG  23          HH21      ARG  23   0.646   5.159   7.346
  166   HH22  ARG  23          HH22      ARG  23   1.966   4.137   6.948
  167    H    LYS  24           H        LYS  24  -0.860   7.185  -1.162
  168    HA   LYS  24           HA       LYS  24  -3.452   8.064  -2.231
  169    HB2  LYS  24           HB2      LYS  24  -1.801   9.812  -1.844
  170    HB3  LYS  24           HB1      LYS  24  -0.632   8.971  -2.852
  171    HG2  LYS  24           HG2      LYS  24  -2.149   9.275  -4.786
  172    HG3  LYS  24           HG1      LYS  24  -3.208  10.234  -3.763
  173    HD2  LYS  24           HD2      LYS  24  -1.466  11.872  -3.442
  174    HD3  LYS  24           HD1      LYS  24  -0.322  10.875  -4.348
  175    HE2  LYS  24           HE2      LYS  24  -2.865  12.079  -5.447
  176    HE3  LYS  24           HE1      LYS  24  -1.238  12.689  -5.737
  177    HZ1  LYS  24           HZ1      LYS  24  -2.026  11.334  -7.581
  178    HZ2  LYS  24           HZ2      LYS  24  -2.246  10.009  -6.576
  179    HZ3  LYS  24           HZ3      LYS  24  -0.693  10.616  -6.848
  180    H    MET  25           H        MET  25  -0.880   5.977  -2.924
  181    HA   MET  25           HA       MET  25  -1.649   5.905  -5.749
  182    HB2  MET  25           HB2      MET  25   1.011   5.022  -4.608
  183    HB3  MET  25           HB1      MET  25   0.543   5.275  -6.258
  184    HG2  MET  25           HG2      MET  25   0.824   7.443  -4.196
  185    HG3  MET  25           HG1      MET  25   1.960   7.078  -5.489
  186    HE1  MET  25           HE1      MET  25  -0.082   8.147  -8.659
  187    HE2  MET  25           HE2      MET  25  -0.043   6.530  -7.958
  188    HE3  MET  25           HE3      MET  25   1.439   7.485  -8.058
  189    H    LYS  26           H        LYS  26  -1.582   4.192  -2.844
  190    HA   LYS  26           HA       LYS  26  -2.023   2.139  -2.145
  191    HB2  LYS  26           HB2      LYS  26  -3.217   1.702  -4.884
  192    HB3  LYS  26           HB1      LYS  26  -3.429   0.660  -3.504
  193    HG2  LYS  26           HG2      LYS  26  -4.392   3.498  -3.713
  194    HG3  LYS  26           HG1      LYS  26  -5.399   2.042  -3.701
  195    HD2  LYS  26           HD2      LYS  26  -4.449   1.535  -1.437
  196    HD3  LYS  26           HD1      LYS  26  -3.654   3.103  -1.508
  197    HE2  LYS  26           HE2      LYS  26  -6.655   2.666  -1.638
  198    HE3  LYS  26           HE1      LYS  26  -5.777   3.157  -0.197
  199    HZ1  LYS  26           HZ1      LYS  26  -6.805   5.031  -1.284
  200    HZ2  LYS  26           HZ2      LYS  26  -6.020   4.727  -2.718
  201    HZ3  LYS  26           HZ3      LYS  26  -5.132   5.207  -1.355
  202    H    TYR  27           H        TYR  27   0.349   2.720  -3.105
  203    HA   TYR  27           HA       TYR  27   1.351   0.079  -3.476
  204    HB2  TYR  27           HB2      TYR  27   2.755   0.385  -5.449
  205    HB3  TYR  27           HB1      TYR  27   1.070   0.516  -5.857
  206    HD1  TYR  27           HD1      TYR  27   3.940   2.746  -4.936
  207    HD2  TYR  27           HD2      TYR  27   0.539   2.155  -7.413
  208    HE1  TYR  27           HE1      TYR  27   4.505   4.768  -6.165
  209    HE2  TYR  27           HE2      TYR  27   1.089   4.199  -8.655
  210    HH   TYR  27           HH       TYR  27   4.108   5.810  -8.235
  211    H    CYS  28           H        CYS  28   3.616  -0.090  -3.450
  212    HA   CYS  28           HA       CYS  28   4.568   1.510  -1.295
  213    HB2  CYS  28           HB2      CYS  28   5.929  -0.688  -2.826
  214    HB3  CYS  28           HB1      CYS  28   6.412  -0.043  -1.259
  215    H    ALA  29           H        ALA  29   6.023   3.028  -1.298
  216    HA   ALA  29           HA       ALA  29   7.626   3.588  -3.675
  217    HB1  ALA  29           HB1      ALA  29   6.219   5.622  -1.931
  218    HB2  ALA  29           HB2      ALA  29   5.783   5.221  -3.592
  219    HB3  ALA  29           HB3      ALA  29   7.328   5.997  -3.249
  220    H    TRP  30           H        TRP  30   9.357   5.431  -2.642
  221    HA   TRP  30           HA       TRP  30  10.741   3.731  -0.857
  222    HB2  TRP  30           HB2      TRP  30  11.485   6.438  -1.909
  223    HB3  TRP  30           HB1      TRP  30  12.522   5.488  -0.861
  224    HD1  TRP  30           HD       TRP  30  11.736   6.008  -4.385
  225    HE1  TRP  30           HE1      TRP  30  12.897   4.170  -5.835
  226    HE3  TRP  30           HE3      TRP  30  12.940   2.925  -0.748
  227    HZ2  TRP  30           HZ2      TRP  30  14.171   1.684  -5.396
  228    HZ3  TRP  30           HZ3      TRP  30  14.156   0.754  -1.233
  229    HH2  TRP  30           HH       TRP  30  14.741   0.179  -3.536
  230    H    ASP  31           H        ASP  31   8.306   5.704  -0.081
  231    HA   ASP  31           HA       ASP  31   8.803   5.672   2.624
  232    HB2  ASP  31           HB2      ASP  31  10.209   7.559   1.986
  233    HB3  ASP  31           HB1      ASP  31   8.854   8.374   1.208
  234    H    PHE  32           H        PHE  32   6.871   7.337   3.312
  235    HA   PHE  32           HA       PHE  32   4.536   6.406   1.777
  236    HB2  PHE  32           HB2      PHE  32   3.439   5.648   3.836
  237    HB3  PHE  32           HB1      PHE  32   4.885   4.735   3.463
  238    HD1  PHE  32           HD1      PHE  32   3.215   6.868   5.859
  239    HD2  PHE  32           HD2      PHE  32   6.947   5.106   4.835
  240    HE1  PHE  32           HE1      PHE  32   4.037   7.281   8.142
  241    HE2  PHE  32           HE2      PHE  32   7.768   5.520   7.118
  242    HZ   PHE  32           HZ       PHE  32   6.311   6.605   8.770
  243    H    THR  33           H        THR  33   5.947   8.859   3.751
  244    HA   THR  33           HA       THR  33   3.567   9.986   4.776
  245    HB   THR  33           HB       THR  33   5.018  11.964   5.302
  246    HG1  THR  33           HG1      THR  33   7.105  10.348   4.185
  247   HG21  THR  33          HG21      THR  33   4.804  10.115   6.890
  248   HG22  THR  33          HG22      THR  33   6.447  10.759   6.918
  249   HG23  THR  33          HG23      THR  33   6.104   9.252   6.074
  250    H    PHE  34           H        PHE  34   2.729  12.129   4.282
  251    HA   PHE  34           HA       PHE  34   2.516  12.459   1.409
  252    HB2  PHE  34           HB2      PHE  34   1.011  13.865   3.628
  253    HB3  PHE  34           HB1      PHE  34   0.634  13.908   1.912
  254    HD1  PHE  34           HD1      PHE  34  -0.112  11.781   0.790
  255    HD2  PHE  34           HD2      PHE  34   0.190  12.173   5.011
  256    HE1  PHE  34           HE1      PHE  34  -1.585   9.834   1.077
  257    HE2  PHE  34           HE2      PHE  34  -1.271  10.233   5.303
  258    HZ   PHE  34           HZ       PHE  34  -2.163   9.056   3.337
  259    H    THR  35           H        THR  35   4.317  13.532   0.758
  260    HA   THR  35           HA       THR  35   4.571  16.282   1.646
  261    HB   THR  35           HB       THR  35   6.924  14.364   1.677
  262    HG1  THR  35           HG1      THR  35   5.136  15.249   3.569
  263   HG21  THR  35          HG21      THR  35   7.543  16.649   0.964
  264   HG22  THR  35          HG22      THR  35   8.189  16.276   2.562
  265   HG23  THR  35          HG23      THR  35   6.765  17.302   2.406
  Start of MODEL    9
    1    H1   ASP   1           HT1      ASP   1   8.723 -12.212   2.870
    2    H2   ASP   1           HT2      ASP   1   9.143 -13.427   1.795
    3    H3   ASP   1           HT3      ASP   1   7.551 -12.835   1.838
    4    HA   ASP   1           HA       ASP   1   9.955 -11.283   1.079
    5    HB2  ASP   1           HB2      ASP   1   9.083 -11.263  -1.178
    6    HB3  ASP   1           HB1      ASP   1   9.186 -12.939  -0.658
    7    H    CYS   2           H        CYS   2   9.103  -9.230  -0.152
    8    HA   CYS   2           HA       CYS   2   6.767  -8.139   1.180
    9    HB2  CYS   2           HB2      CYS   2   8.071  -6.096   1.254
   10    HB3  CYS   2           HB1      CYS   2   8.573  -7.302   2.438
   11    H    ARG   3           H        ARG   3   6.203  -6.160   0.113
   12    HA   ARG   3           HA       ARG   3   6.465  -6.513  -2.759
   13    HB2  ARG   3           HB2      ARG   3   4.593  -4.757  -1.176
   14    HB3  ARG   3           HB1      ARG   3   4.579  -4.938  -2.925
   15    HG2  ARG   3           HG2      ARG   3   4.010  -7.289  -2.705
   16    HG3  ARG   3           HG1      ARG   3   4.078  -7.155  -0.943
   17    HD2  ARG   3           HD2      ARG   3   2.308  -5.458  -1.068
   18    HD3  ARG   3           HD1      ARG   3   2.225  -5.718  -2.803
   19    HE   ARG   3           HE       ARG   3   1.825  -8.175  -1.857
   20   HH11  ARG   3          HH11      ARG   3   0.337  -5.081  -1.060
   21   HH12  ARG   3          HH12      ARG   3  -1.170  -5.724  -0.604
   22   HH21  ARG   3          HH21      ARG   3  -0.275  -9.090  -1.218
   23   HH22  ARG   3          HH22      ARG   3  -1.509  -8.072  -0.665
   24    H    TYR   4           H        TYR   4   7.509  -5.113  -4.043
   25    HA   TYR   4           HA       TYR   4   9.118  -3.147  -2.746
   26    HB2  TYR   4           HB2      TYR   4   9.073  -4.416  -5.459
   27    HB3  TYR   4           HB1      TYR   4  10.215  -3.190  -4.977
   28    HD1  TYR   4           HD1      TYR   4  11.652  -3.788  -2.761
   29    HD2  TYR   4           HD2      TYR   4   9.602  -6.627  -5.202
   30    HE1  TYR   4           HE1      TYR   4  13.103  -5.540  -1.932
   31    HE2  TYR   4           HE2      TYR   4  11.061  -8.403  -4.335
   32    HH   TYR   4           HH       TYR   4  13.308  -8.582  -3.372
   33    H    MET   5           H        MET   5   9.523  -1.515  -4.950
   34    HA   MET   5           HA       MET   5   7.427   0.352  -4.630
   35    HB2  MET   5           HB2      MET   5   9.929   0.701  -5.407
   36    HB3  MET   5           HB1      MET   5   9.261   0.419  -7.000
   37    HG2  MET   5           HG2      MET   5   7.699   2.258  -6.673
   38    HG3  MET   5           HG1      MET   5   8.374   2.522  -5.067
   39    HE1  MET   5           HE1      MET   5   9.188   4.878  -5.169
   40    HE2  MET   5           HE2      MET   5   8.179   4.993  -6.618
   41    HE3  MET   5           HE3      MET   5   9.822   5.655  -6.616
   42    H    PHE   6           H        PHE   6   5.701   0.791  -5.727
   43    HA   PHE   6           HA       PHE   6   4.007   0.714  -7.182
   44    HB2  PHE   6           HB2      PHE   6   5.784  -0.948  -8.994
   45    HB3  PHE   6           HB1      PHE   6   4.185  -0.361  -9.436
   46    HD1  PHE   6           HD1      PHE   6   7.674   0.514  -8.901
   47    HD2  PHE   6           HD2      PHE   6   3.820   2.008  -9.883
   48    HE1  PHE   6           HE1      PHE   6   8.701   2.575  -9.675
   49    HE2  PHE   6           HE2      PHE   6   4.837   4.104 -10.684
   50    HZ   PHE   6           HZ       PHE   6   7.281   4.397 -10.589
   51    H    GLY   7           H        GLY   7   5.222  -1.855  -5.546
   52    HA2  GLY   7           HA2      GLY   7   3.241  -3.804  -6.206
   53    HA3  GLY   7           HA1      GLY   7   4.277  -3.800  -4.778
   54    H    ASP   8           H        ASP   8   1.444  -4.311  -4.961
   55    HA   ASP   8           HA       ASP   8  -0.161  -2.073  -4.264
   56    HB2  ASP   8           HB2      ASP   8  -1.153  -3.940  -5.162
   57    HB3  ASP   8           HB1      ASP   8  -0.552  -5.022  -3.890
   58    H    CYS   9           H        CYS   9  -0.866  -1.318  -2.338
   59    HA   CYS   9           HA       CYS   9  -0.052  -2.758   0.023
   60    HB2  CYS   9           HB2      CYS   9   1.381  -1.153   0.932
   61    HB3  CYS   9           HB1      CYS   9   1.798  -1.321  -0.783
   62    H    GLU  10           H        GLU  10  -1.201  -2.297   1.761
   63    HA   GLU  10           HA       GLU  10  -3.045  -0.040   1.660
   64    HB2  GLU  10           HB2      GLU  10  -3.486  -2.801   2.799
   65    HB3  GLU  10           HB1      GLU  10  -4.569  -1.437   3.050
   66    HG2  GLU  10           HG2      GLU  10  -4.956  -1.294   0.646
   67    HG3  GLU  10           HG1      GLU  10  -3.852  -2.638   0.386
   68    H    LYS  11           H        LYS  11  -0.609  -1.881   3.347
   69    HA   LYS  11           HA       LYS  11  -0.492   0.169   5.346
   70    HB2  LYS  11           HB2      LYS  11   0.127  -1.753   6.954
   71    HB3  LYS  11           HB1      LYS  11  -1.573  -1.468   6.628
   72    HG2  LYS  11           HG2      LYS  11  -1.549  -3.321   5.003
   73    HG3  LYS  11           HG1      LYS  11   0.151  -3.603   5.365
   74    HD2  LYS  11           HD2      LYS  11  -0.372  -4.224   7.622
   75    HD3  LYS  11           HD1      LYS  11  -2.050  -3.719   7.422
   76    HE2  LYS  11           HE2      LYS  11  -1.834  -6.156   7.310
   77    HE3  LYS  11           HE1      LYS  11  -2.409  -5.489   5.788
   78    HZ1  LYS  11           HZ1      LYS  11   0.393  -6.343   6.341
   79    HZ2  LYS  11           HZ2      LYS  11  -0.193  -5.786   4.839
   80    HZ3  LYS  11           HZ3      LYS  11  -0.758  -7.204   5.493
   81    H    ASP  12           H        ASP  12   1.676  -0.028   6.409
   82    HA   ASP  12           HA       ASP  12   3.626  -0.069   4.289
   83    HB2  ASP  12           HB2      ASP  12   4.140   0.243   7.255
   84    HB3  ASP  12           HB1      ASP  12   5.306   0.541   5.973
   85    H    GLU  13           H        GLU  13   2.428  -2.319   6.340
   86    HA   GLU  13           HA       GLU  13   4.610  -4.060   6.825
   87    HB2  GLU  13           HB2      GLU  13   1.684  -4.600   6.561
   88    HB3  GLU  13           HB1      GLU  13   2.857  -5.754   7.156
   89    HG2  GLU  13           HG2      GLU  13   2.243  -3.096   8.421
   90    HG3  GLU  13           HG1      GLU  13   1.679  -4.664   9.001
   91    H    ASP  14           H        ASP  14   2.530  -3.494   4.132
   92    HA   ASP  14           HA       ASP  14   2.908  -6.023   2.896
   93    HB2  ASP  14           HB2      ASP  14   2.001  -3.453   1.553
   94    HB3  ASP  14           HB1      ASP  14   1.745  -5.109   1.026
   95    H    CYS  15           H        CYS  15   4.511  -2.997   2.963
   96    HA   CYS  15           HA       CYS  15   6.124  -3.569   0.603
   97    HB2  CYS  15           HB2      CYS  15   6.286  -1.145   2.349
   98    HB3  CYS  15           HB1      CYS  15   6.788  -1.337   0.688
   99    H    CYS  16           H        CYS  16   8.357  -3.557   0.714
  100    HA   CYS  16           HA       CYS  16   9.684  -4.717   2.850
  101    HB2  CYS  16           HB2      CYS  16  10.945  -2.943   0.796
  102    HB3  CYS  16           HB1      CYS  16  11.662  -4.309   1.554
  103    H    LYS  17           H        LYS  17  11.718  -3.582   3.757
  104    HA   LYS  17           HA       LYS  17  10.724  -1.595   5.592
  105    HB2  LYS  17           HB2      LYS  17  13.537  -2.590   5.261
  106    HB3  LYS  17           HB1      LYS  17  12.863  -1.752   6.648
  107    HG2  LYS  17           HG2      LYS  17  12.037  -4.449   5.664
  108    HG3  LYS  17           HG1      LYS  17  13.137  -4.086   6.995
  109    HD2  LYS  17           HD2      LYS  17  11.303  -2.984   8.202
  110    HD3  LYS  17           HD1      LYS  17  10.230  -3.217   6.822
  111    HE2  LYS  17           HE2      LYS  17  10.492  -5.675   7.119
  112    HE3  LYS  17           HE1      LYS  17  11.421  -5.349   8.583
  113    HZ1  LYS  17           HZ1      LYS  17   9.450  -4.202   9.485
  114    HZ2  LYS  17           HZ2      LYS  17   9.124  -5.811   9.137
  115    HZ3  LYS  17           HZ3      LYS  17   8.587  -4.606   8.105
  116    H    HIS  18           H        HIS  18  13.140  -1.697   3.183
  117    HA   HIS  18           HA       HIS  18  13.964   1.029   3.221
  118    HB2  HIS  18           HB2      HIS  18  14.056  -0.952   0.944
  119    HB3  HIS  18           HB1      HIS  18  14.658   0.686   0.798
  120    HD1  HIS  18           HD1      HIS  18  15.768  -2.634   1.639
  121    HD2  HIS  18           HD2      HIS  18  16.750   1.227   2.790
  122    HE1  HIS  18           HE1      HIS  18  18.094  -2.758   2.567
  123    H    LEU  19           H        LEU  19  10.927   0.063   2.603
  124    HA   LEU  19           HA       LEU  19  10.443   2.342   0.874
  125    HB2  LEU  19           HB2      LEU  19   9.243  -0.401   0.650
  126    HB3  LEU  19           HB1      LEU  19   8.510   1.007  -0.079
  127    HG   LEU  19           HG       LEU  19  10.941   1.212  -1.151
  128   HD11  LEU  19          HD11      LEU  19  11.843  -0.752  -0.036
  129   HD12  LEU  19          HD12      LEU  19  11.815  -0.919  -1.794
  130   HD13  LEU  19          HD13      LEU  19  10.603  -1.745  -0.820
  131   HD21  LEU  19          HD21      LEU  19  10.041   0.116  -3.108
  132   HD22  LEU  19          HD22      LEU  19   8.859   1.171  -2.330
  133   HD23  LEU  19          HD23      LEU  19   8.755  -0.582  -2.124
  134    H    GLY  20           H        GLY  20   7.892   2.547   0.847
  135    HA2  GLY  20           HA2      GLY  20   6.705   1.991   3.417
  136    HA3  GLY  20           HA1      GLY  20   6.904   3.691   2.965
  137    H    CYS  21           H        CYS  21   4.368   2.526   3.311
  138    HA   CYS  21           HA       CYS  21   3.439   1.905   0.639
  139    HB2  CYS  21           HB2      CYS  21   2.508   0.593   2.420
  140    HB3  CYS  21           HB1      CYS  21   2.040   2.037   3.307
  141    H    LYS  22           H        LYS  22   2.513   3.331  -0.710
  142    HA   LYS  22           HA       LYS  22   1.751   5.882   0.425
  143    HB2  LYS  22           HB2      LYS  22   2.450   5.107  -2.379
  144    HB3  LYS  22           HB1      LYS  22   1.586   6.593  -2.011
  145    HG2  LYS  22           HG2      LYS  22   4.188   5.784  -0.871
  146    HG3  LYS  22           HG1      LYS  22   4.027   6.909  -2.241
  147    HD2  LYS  22           HD2      LYS  22   2.630   8.343  -0.693
  148    HD3  LYS  22           HD1      LYS  22   3.064   7.256   0.611
  149    HE2  LYS  22           HE2      LYS  22   4.524   9.234   0.572
  150    HE3  LYS  22           HE1      LYS  22   5.425   7.744   0.301
  151    HZ1  LYS  22           HZ1      LYS  22   6.101   9.510  -1.200
  152    HZ2  LYS  22           HZ2      LYS  22   4.552   9.605  -1.857
  153    HZ3  LYS  22           HZ3      LYS  22   5.480   8.221  -2.051
  154    H    ARG  23           H        ARG  23  -0.103   5.987   1.004
  155    HA   ARG  23           HA       ARG  23  -2.179   4.253   0.087
  156    HB2  ARG  23           HB2      ARG  23  -2.246   6.620   1.956
  157    HB3  ARG  23           HB1      ARG  23  -3.616   5.583   1.626
  158    HG2  ARG  23           HG2      ARG  23  -2.777   4.852   3.697
  159    HG3  ARG  23           HG1      ARG  23  -2.185   3.694   2.497
  160    HD2  ARG  23           HD2      ARG  23   0.002   4.563   2.615
  161    HD3  ARG  23           HD1      ARG  23  -0.529   5.974   3.535
  162    HE   ARG  23           HE       ARG  23  -1.313   3.946   5.087
  163   HH11  ARG  23          HH11      ARG  23   1.882   4.651   3.687
  164   HH12  ARG  23          HH12      ARG  23   2.707   3.839   4.935
  165   HH21  ARG  23          HH21      ARG  23  -0.108   2.930   6.806
  166   HH22  ARG  23          HH22      ARG  23   1.606   2.937   6.725
  167    H    LYS  24           H        LYS  24  -0.849   6.932  -1.188
  168    HA   LYS  24           HA       LYS  24  -3.325   8.173  -2.079
  169    HB2  LYS  24           HB2      LYS  24  -1.477   9.642  -1.390
  170    HB3  LYS  24           HB1      LYS  24  -0.421   8.886  -2.563
  171    HG2  LYS  24           HG2      LYS  24  -1.167  11.079  -3.318
  172    HG3  LYS  24           HG1      LYS  24  -1.739   9.805  -4.387
  173    HD2  LYS  24           HD2      LYS  24  -3.496  11.458  -4.007
  174    HD3  LYS  24           HD1      LYS  24  -3.952   9.910  -3.306
  175    HE2  LYS  24           HE2      LYS  24  -3.321  10.709  -1.090
  176    HE3  LYS  24           HE1      LYS  24  -2.779  12.237  -1.778
  177    HZ1  LYS  24           HZ1      LYS  24  -5.559  11.218  -1.916
  178    HZ2  LYS  24           HZ2      LYS  24  -5.020  12.757  -2.402
  179    HZ3  LYS  24           HZ3      LYS  24  -5.011  12.332  -0.785
  180    H    MET  25           H        MET  25  -0.796   6.096  -3.062
  181    HA   MET  25           HA       MET  25  -1.849   6.040  -5.787
  182    HB2  MET  25           HB2      MET  25   0.949   5.477  -4.808
  183    HB3  MET  25           HB1      MET  25   0.357   5.118  -6.396
  184    HG2  MET  25           HG2      MET  25   0.464   7.855  -5.164
  185    HG3  MET  25           HG1      MET  25   1.566   7.216  -6.383
  186    HE1  MET  25           HE1      MET  25   0.834   6.669  -8.908
  187    HE2  MET  25           HE2      MET  25  -0.802   6.895  -9.522
  188    HE3  MET  25           HE3      MET  25  -0.473   5.623  -8.347
  189    H    LYS  26           H        LYS  26  -1.651   4.321  -2.963
  190    HA   LYS  26           HA       LYS  26  -2.148   2.270  -2.270
  191    HB2  LYS  26           HB2      LYS  26  -3.242   1.784  -5.045
  192    HB3  LYS  26           HB1      LYS  26  -3.538   0.793  -3.635
  193    HG2  LYS  26           HG2      LYS  26  -4.472   3.614  -4.080
  194    HG3  LYS  26           HG1      LYS  26  -5.458   2.159  -3.901
  195    HD2  LYS  26           HD2      LYS  26  -4.555   1.910  -1.596
  196    HD3  LYS  26           HD1      LYS  26  -3.698   3.429  -1.833
  197    HE2  LYS  26           HE2      LYS  26  -5.765   3.851  -0.596
  198    HE3  LYS  26           HE1      LYS  26  -5.848   4.578  -2.195
  199    HZ1  LYS  26           HZ1      LYS  26  -7.897   3.418  -1.570
  200    HZ2  LYS  26           HZ2      LYS  26  -7.048   1.961  -1.490
  201    HZ3  LYS  26           HZ3      LYS  26  -7.200   2.770  -2.955
  202    H    TYR  27           H        TYR  27   0.303   2.854  -3.309
  203    HA   TYR  27           HA       TYR  27   1.227   0.155  -3.551
  204    HB2  TYR  27           HB2      TYR  27   2.714   0.436  -5.460
  205    HB3  TYR  27           HB1      TYR  27   1.046   0.605  -5.924
  206    HD1  TYR  27           HD1      TYR  27   3.792   2.913  -4.765
  207    HD2  TYR  27           HD2      TYR  27   0.765   2.136  -7.635
  208    HE1  TYR  27           HE1      TYR  27   4.454   4.920  -5.973
  209    HE2  TYR  27           HE2      TYR  27   1.410   4.170  -8.862
  210    HH   TYR  27           HH       TYR  27   4.300   5.792  -8.290
  211    H    CYS  28           H        CYS  28   3.488  -0.085  -3.420
  212    HA   CYS  28           HA       CYS  28   4.478   1.499  -1.261
  213    HB2  CYS  28           HB2      CYS  28   5.882  -0.660  -2.834
  214    HB3  CYS  28           HB1      CYS  28   6.322  -0.054  -1.243
  215    H    ALA  29           H        ALA  29   5.954   3.042  -1.291
  216    HA   ALA  29           HA       ALA  29   7.414   3.630  -3.762
  217    HB1  ALA  29           HB1      ALA  29   7.248   6.022  -3.193
  218    HB2  ALA  29           HB2      ALA  29   6.254   5.618  -1.794
  219    HB3  ALA  29           HB3      ALA  29   5.646   5.319  -3.423
  220    H    TRP  30           H        TRP  30   9.310   5.367  -2.804
  221    HA   TRP  30           HA       TRP  30  10.782   3.531  -1.222
  222    HB2  TRP  30           HB2      TRP  30  11.551   6.228  -2.278
  223    HB3  TRP  30           HB1      TRP  30  12.608   5.273  -1.255
  224    HD1  TRP  30           HD       TRP  30  11.674   5.741  -4.765
  225    HE1  TRP  30           HE1      TRP  30  12.754   3.862  -6.213
  226    HE3  TRP  30           HE3      TRP  30  13.040   2.759  -1.087
  227    HZ2  TRP  30           HZ2      TRP  30  14.043   1.363  -5.742
  228    HZ3  TRP  30           HZ3      TRP  30  14.220   0.578  -1.552
  229    HH2  TRP  30           HH       TRP  30  14.695  -0.080  -3.848
  230    H    ASP  31           H        ASP  31   8.568   5.648  -0.174
  231    HA   ASP  31           HA       ASP  31   9.349   5.299   2.459
  232    HB2  ASP  31           HB2      ASP  31   9.612   7.590   3.145
  233    HB3  ASP  31           HB1      ASP  31  10.752   7.318   1.835
  234    H    PHE  32           H        PHE  32   7.731   6.204   3.738
  235    HA   PHE  32           HA       PHE  32   5.110   6.048   2.391
  236    HB2  PHE  32           HB2      PHE  32   4.194   5.567   4.693
  237    HB3  PHE  32           HB1      PHE  32   5.223   4.333   3.999
  238    HD1  PHE  32           HD1      PHE  32   6.941   3.450   5.285
  239    HD2  PHE  32           HD2      PHE  32   5.354   7.259   6.333
  240    HE1  PHE  32           HE1      PHE  32   8.295   3.451   7.338
  241    HE2  PHE  32           HE2      PHE  32   6.709   7.259   8.386
  242    HZ   PHE  32           HZ       PHE  32   8.179   5.353   8.888
  243    H    THR  33           H        THR  33   7.043   8.449   3.400
  244    HA   THR  33           HA       THR  33   5.137   9.876   4.985
  245    HB   THR  33           HB       THR  33   7.856  10.700   3.982
  246    HG1  THR  33           HG1      THR  33   6.929   9.394   6.325
  247   HG21  THR  33          HG21      THR  33   6.175  11.797   6.253
  248   HG22  THR  33          HG22      THR  33   6.428  12.599   4.702
  249   HG23  THR  33          HG23      THR  33   7.787  12.357   5.804
  250    H    PHE  34           H        PHE  34   3.519  10.179   3.590
  251    HA   PHE  34           HA       PHE  34   3.882  11.570   1.090
  252    HB2  PHE  34           HB2      PHE  34   2.111   9.894   1.282
  253    HB3  PHE  34           HB1      PHE  34   1.360  10.806   2.585
  254    HD1  PHE  34           HD1      PHE  34  -0.272  12.384   2.100
  255    HD2  PHE  34           HD2      PHE  34   2.328  11.052  -0.980
  256    HE1  PHE  34           HE1      PHE  34  -1.593  13.632   0.460
  257    HE2  PHE  34           HE2      PHE  34   1.009  12.302  -2.641
  258    HZ   PHE  34           HZ       PHE  34  -0.957  13.596  -1.917
  259    H    THR  35           H        THR  35   4.288  13.650   1.102
  260    HA   THR  35           HA       THR  35   3.518  15.295   3.345
  261    HB   THR  35           HB       THR  35   4.818  17.037   2.068
  262    HG1  THR  35           HG1      THR  35   5.102  16.548   0.042
  263   HG21  THR  35          HG21      THR  35   6.211  14.415   2.651
  264   HG22  THR  35          HG22      THR  35   5.880  15.690   3.825
  265   HG23  THR  35          HG23      THR  35   7.010  15.978   2.501
  Start of MODEL   10
    1    H1   ASP   1           HT1      ASP   1   5.748 -12.255   2.644
    2    H2   ASP   1           HT2      ASP   1   7.115 -11.751   3.471
    3    H3   ASP   1           HT3      ASP   1   7.146 -13.213   2.635
    4    HA   ASP   1           HA       ASP   1   8.324 -11.439   1.453
    5    HB2  ASP   1           HB2      ASP   1   5.721 -12.253   0.143
    6    HB3  ASP   1           HB1      ASP   1   7.119 -11.592  -0.697
    7    H    CYS   2           H        CYS   2   8.193  -9.393   0.365
    8    HA   CYS   2           HA       CYS   2   5.935  -7.762   1.214
    9    HB2  CYS   2           HB2      CYS   2   7.607  -5.991   1.297
   10    HB3  CYS   2           HB1      CYS   2   7.727  -7.153   2.614
   11    H    ARG   3           H        ARG   3   5.880  -5.818  -0.028
   12    HA   ARG   3           HA       ARG   3   6.348  -6.390  -2.850
   13    HB2  ARG   3           HB2      ARG   3   4.522  -4.506  -1.420
   14    HB3  ARG   3           HB1      ARG   3   4.913  -4.232  -3.103
   15    HG2  ARG   3           HG2      ARG   3   2.847  -5.384  -3.084
   16    HG3  ARG   3           HG1      ARG   3   4.048  -6.599  -3.518
   17    HD2  ARG   3           HD2      ARG   3   4.119  -7.287  -1.157
   18    HD3  ARG   3           HD1      ARG   3   2.830  -6.115  -0.841
   19    HE   ARG   3           HE       ARG   3   2.103  -7.895  -2.911
   20   HH11  ARG   3          HH11      ARG   3   2.355  -7.718   0.635
   21   HH12  ARG   3          HH12      ARG   3   1.218  -8.945   0.893
   22   HH21  ARG   3          HH21      ARG   3   0.515  -9.601  -2.496
   23   HH22  ARG   3          HH22      ARG   3   0.151 -10.023  -0.891
   24    H    TYR   4           H        TYR   4   7.718  -5.215  -4.069
   25    HA   TYR   4           HA       TYR   4   9.286  -3.282  -2.741
   26    HB2  TYR   4           HB2      TYR   4   9.366  -4.573  -5.447
   27    HB3  TYR   4           HB1      TYR   4  10.448  -3.304  -4.957
   28    HD1  TYR   4           HD1      TYR   4  11.897  -3.677  -2.839
   29    HD2  TYR   4           HD2      TYR   4   9.880  -6.822  -4.894
   30    HE1  TYR   4           HE1      TYR   4  13.410  -5.278  -1.837
   31    HE2  TYR   4           HE2      TYR   4  11.404  -8.455  -3.864
   32    HH   TYR   4           HH       TYR   4  13.586  -8.526  -2.907
   33    H    MET   5           H        MET   5   9.817  -1.628  -4.967
   34    HA   MET   5           HA       MET   5   7.796   0.325  -4.535
   35    HB2  MET   5           HB2      MET   5  10.301   0.646  -5.319
   36    HB3  MET   5           HB1      MET   5   9.627   0.381  -6.913
   37    HG2  MET   5           HG2      MET   5   8.109   2.261  -6.572
   38    HG3  MET   5           HG1      MET   5   8.844   2.543  -4.994
   39    HE1  MET   5           HE1      MET   5   9.666   4.922  -5.318
   40    HE2  MET   5           HE2      MET   5   8.670   4.935  -6.781
   41    HE3  MET   5           HE3      MET   5  10.328   5.560  -6.821
   42    H    PHE   6           H        PHE   6   6.058   0.839  -5.558
   43    HA   PHE   6           HA       PHE   6   4.304   0.845  -6.925
   44    HB2  PHE   6           HB2      PHE   6   6.053  -0.570  -8.959
   45    HB3  PHE   6           HB1      PHE   6   4.451   0.079  -9.289
   46    HD1  PHE   6           HD1      PHE   6   7.950   0.806  -8.907
   47    HD2  PHE   6           HD2      PHE   6   4.085   2.544  -9.175
   48    HE1  PHE   6           HE1      PHE   6   8.975   2.959  -9.361
   49    HE2  PHE   6           HE2      PHE   6   5.100   4.734  -9.654
   50    HZ   PHE   6           HZ       PHE   6   7.551   4.952  -9.754
   51    H    GLY   7           H        GLY   7   5.407  -1.726  -5.387
   52    HA2  GLY   7           HA2      GLY   7   3.530  -3.683  -6.351
   53    HA3  GLY   7           HA1      GLY   7   4.475  -3.794  -4.874
   54    H    ASP   8           H        ASP   8   1.819  -4.480  -4.893
   55    HA   ASP   8           HA       ASP   8   0.104  -2.281  -4.251
   56    HB2  ASP   8           HB2      ASP   8  -0.766  -4.122  -5.278
   57    HB3  ASP   8           HB1      ASP   8  -0.227  -5.247  -4.014
   58    H    CYS   9           H        CYS   9  -0.648  -1.613  -2.332
   59    HA   CYS   9           HA       CYS   9   0.171  -3.051   0.042
   60    HB2  CYS   9           HB2      CYS   9   1.435  -1.269   0.985
   61    HB3  CYS   9           HB1      CYS   9   1.962  -1.606  -0.681
   62    H    GLU  10           H        GLU  10  -0.895  -2.449   1.879
   63    HA   GLU  10           HA       GLU  10  -3.108  -0.533   1.663
   64    HB2  GLU  10           HB2      GLU  10  -2.815  -3.183   3.037
   65    HB3  GLU  10           HB1      GLU  10  -3.930  -1.983   3.670
   66    HG2  GLU  10           HG2      GLU  10  -4.002  -2.929   0.834
   67    HG3  GLU  10           HG1      GLU  10  -4.909  -3.715   2.128
   68    H    LYS  11           H        LYS  11  -0.532  -1.954   3.550
   69    HA   LYS  11           HA       LYS  11  -0.343   0.428   5.201
   70    HB2  LYS  11           HB2      LYS  11   0.314  -1.152   7.045
   71    HB3  LYS  11           HB1      LYS  11  -1.382  -1.220   6.609
   72    HG2  LYS  11           HG2      LYS  11  -0.767  -3.205   5.145
   73    HG3  LYS  11           HG1      LYS  11   0.804  -3.174   5.938
   74    HD2  LYS  11           HD2      LYS  11  -0.249  -3.544   8.087
   75    HD3  LYS  11           HD1      LYS  11  -1.847  -3.470   7.340
   76    HE2  LYS  11           HE2      LYS  11   0.288  -5.544   6.833
   77    HE3  LYS  11           HE1      LYS  11  -1.227  -5.782   7.695
   78    HZ1  LYS  11           HZ1      LYS  11  -0.879  -5.281   4.770
   79    HZ2  LYS  11           HZ2      LYS  11  -2.359  -5.168   5.557
   80    HZ3  LYS  11           HZ3      LYS  11  -1.548  -6.627   5.540
   81    H    ASP  12           H        ASP  12   1.916   0.143   6.336
   82    HA   ASP  12           HA       ASP  12   3.784   0.122   4.125
   83    HB2  ASP  12           HB2      ASP  12   4.387   0.442   7.071
   84    HB3  ASP  12           HB1      ASP  12   5.510   0.744   5.753
   85    H    GLU  13           H        GLU  13   2.681  -2.078   6.335
   86    HA   GLU  13           HA       GLU  13   4.934  -3.766   6.702
   87    HB2  GLU  13           HB2      GLU  13   2.524  -3.624   7.834
   88    HB3  GLU  13           HB1      GLU  13   2.237  -4.869   6.618
   89    HG2  GLU  13           HG2      GLU  13   2.860  -5.878   8.749
   90    HG3  GLU  13           HG1      GLU  13   4.062  -6.205   7.496
   91    H    ASP  14           H        ASP  14   2.636  -3.318   4.164
   92    HA   ASP  14           HA       ASP  14   2.943  -5.940   3.071
   93    HB2  ASP  14           HB2      ASP  14   1.823  -3.497   1.662
   94    HB3  ASP  14           HB1      ASP  14   1.630  -5.199   1.246
   95    H    CYS  15           H        CYS  15   4.497  -2.932   2.875
   96    HA   CYS  15           HA       CYS  15   5.996  -3.564   0.479
   97    HB2  CYS  15           HB2      CYS  15   6.259  -1.220   2.337
   98    HB3  CYS  15           HB1      CYS  15   6.882  -1.368   0.706
   99    H    CYS  16           H        CYS  16   8.284  -3.557   0.551
  100    HA   CYS  16           HA       CYS  16   9.455  -4.971   2.643
  101    HB2  CYS  16           HB2      CYS  16  10.763  -3.433   0.419
  102    HB3  CYS  16           HB1      CYS  16  11.526  -4.640   1.369
  103    H    LYS  17           H        LYS  17  11.780  -4.044   3.288
  104    HA   LYS  17           HA       LYS  17  11.262  -2.525   5.578
  105    HB2  LYS  17           HB2      LYS  17  13.891  -2.987   4.192
  106    HB3  LYS  17           HB1      LYS  17  13.704  -2.331   5.806
  107    HG2  LYS  17           HG2      LYS  17  12.563  -4.323   6.446
  108    HG3  LYS  17           HG1      LYS  17  12.882  -5.046   4.873
  109    HD2  LYS  17           HD2      LYS  17  15.303  -4.804   5.217
  110    HD3  LYS  17           HD1      LYS  17  15.013  -4.061   6.787
  111    HE2  LYS  17           HE2      LYS  17  14.197  -6.869   6.046
  112    HE3  LYS  17           HE1      LYS  17  15.679  -6.451   6.899
  113    HZ1  LYS  17           HZ1      LYS  17  13.943  -7.152   8.406
  114    HZ2  LYS  17           HZ2      LYS  17  12.918  -5.926   7.891
  115    HZ3  LYS  17           HZ3      LYS  17  14.342  -5.550   8.708
  116    H    HIS  18           H        HIS  18  13.144  -1.662   2.891
  117    HA   HIS  18           HA       HIS  18  13.425   1.113   3.662
  118    HB2  HIS  18           HB2      HIS  18  14.325  -0.290   1.142
  119    HB3  HIS  18           HB1      HIS  18  14.798   1.332   1.625
  120    HD1  HIS  18           HD1      HIS  18  15.695  -2.215   2.083
  121    HD2  HIS  18           HD2      HIS  18  16.460   1.405   3.968
  122    HE1  HIS  18           HE1      HIS  18  17.641  -2.627   3.627
  123    H    LEU  19           H        LEU  19  10.697   0.055   2.845
  124    HA   LEU  19           HA       LEU  19  10.104   2.117   0.844
  125    HB2  LEU  19           HB2      LEU  19   8.988  -0.683   0.963
  126    HB3  LEU  19           HB1      LEU  19   8.452   0.579  -0.122
  127    HG   LEU  19           HG       LEU  19  11.277  -0.480  -0.171
  128   HD11  LEU  19          HD11      LEU  19  10.623  -1.835  -1.995
  129   HD12  LEU  19          HD12      LEU  19   8.970  -1.236  -1.904
  130   HD13  LEU  19          HD13      LEU  19   9.600  -2.266  -0.613
  131   HD21  LEU  19          HD21      LEU  19   9.603   1.034  -2.153
  132   HD22  LEU  19          HD22      LEU  19  11.238   0.422  -2.411
  133   HD23  LEU  19          HD23      LEU  19  10.953   1.672  -1.204
  134    H    GLY  20           H        GLY  20   7.948   2.830   0.928
  135    HA2  GLY  20           HA2      GLY  20   6.474   2.237   3.388
  136    HA3  GLY  20           HA1      GLY  20   6.807   3.912   2.935
  137    H    CYS  21           H        CYS  21   4.227   2.693   3.152
  138    HA   CYS  21           HA       CYS  21   3.402   2.156   0.416
  139    HB2  CYS  21           HB2      CYS  21   2.522   0.717   2.153
  140    HB3  CYS  21           HB1      CYS  21   1.901   2.102   3.036
  141    H    LYS  22           H        LYS  22   2.686   3.731  -0.909
  142    HA   LYS  22           HA       LYS  22   1.796   6.194   0.279
  143    HB2  LYS  22           HB2      LYS  22   2.334   5.390  -2.544
  144    HB3  LYS  22           HB1      LYS  22   1.336   6.794  -2.194
  145    HG2  LYS  22           HG2      LYS  22   4.092   6.287  -1.300
  146    HG3  LYS  22           HG1      LYS  22   3.653   7.439  -2.579
  147    HD2  LYS  22           HD2      LYS  22   2.151   8.455  -0.680
  148    HD3  LYS  22           HD1      LYS  22   3.200   7.581   0.402
  149    HE2  LYS  22           HE2      LYS  22   4.041   9.686  -1.588
  150    HE3  LYS  22           HE1      LYS  22   3.996   9.853   0.166
  151    HZ1  LYS  22           HZ1      LYS  22   5.790   8.113   0.251
  152    HZ2  LYS  22           HZ2      LYS  22   6.232   9.508  -0.538
  153    HZ3  LYS  22           HZ3      LYS  22   5.850   8.163  -1.435
  154    H    ARG  23           H        ARG  23  -0.016   6.329   0.992
  155    HA   ARG  23           HA       ARG  23  -2.127   4.526   0.440
  156    HB2  ARG  23           HB2      ARG  23  -1.938   7.040   2.054
  157    HB3  ARG  23           HB1      ARG  23  -3.464   6.222   1.812
  158    HG2  ARG  23           HG2      ARG  23  -2.571   5.632   3.930
  159    HG3  ARG  23           HG1      ARG  23  -2.507   4.216   2.865
  160    HD2  ARG  23           HD2      ARG  23  -0.113   4.587   2.582
  161    HD3  ARG  23           HD1      ARG  23  -0.208   6.020   3.612
  162    HE   ARG  23           HE       ARG  23  -1.316   3.950   5.047
  163   HH11  ARG  23          HH11      ARG  23   1.875   4.617   3.694
  164   HH12  ARG  23          HH12      ARG  23   2.719   3.763   4.906
  165   HH21  ARG  23          HH21      ARG  23  -0.133   2.824   6.736
  166   HH22  ARG  23          HH22      ARG  23   1.586   2.812   6.667
  167    H    LYS  24           H        LYS  24  -1.036   6.995  -1.376
  168    HA   LYS  24           HA       LYS  24  -3.654   8.126  -2.020
  169    HB2  LYS  24           HB2      LYS  24  -0.945   8.717  -3.233
  170    HB3  LYS  24           HB1      LYS  24  -2.419   9.637  -3.481
  171    HG2  LYS  24           HG2      LYS  24  -0.968   9.349  -0.860
  172    HG3  LYS  24           HG1      LYS  24  -0.859  10.738  -1.939
  173    HD2  LYS  24           HD2      LYS  24  -3.235  11.181  -1.629
  174    HD3  LYS  24           HD1      LYS  24  -3.381   9.752  -0.604
  175    HE2  LYS  24           HE2      LYS  24  -3.220  11.791   0.739
  176    HE3  LYS  24           HE1      LYS  24  -1.843  10.727   1.005
  177    HZ1  LYS  24           HZ1      LYS  24  -0.522  12.144  -0.456
  178    HZ2  LYS  24           HZ2      LYS  24  -1.178  13.041   0.796
  179    HZ3  LYS  24           HZ3      LYS  24  -1.853  13.138  -0.731
  180    H    MET  25           H        MET  25  -1.094   6.131  -3.259
  181    HA   MET  25           HA       MET  25  -2.702   5.630  -5.639
  182    HB2  MET  25           HB2      MET  25   0.226   5.684  -5.168
  183    HB3  MET  25           HB1      MET  25  -0.470   4.943  -6.587
  184    HG2  MET  25           HG2      MET  25  -0.798   7.831  -5.759
  185    HG3  MET  25           HG1      MET  25   0.300   7.248  -7.006
  186    HE1  MET  25           HE1      MET  25  -2.167   6.000  -9.775
  187    HE2  MET  25           HE2      MET  25  -1.450   5.029  -8.493
  188    HE3  MET  25           HE3      MET  25  -0.479   6.243  -9.327
  189    H    LYS  26           H        LYS  26  -1.828   4.337  -2.793
  190    HA   LYS  26           HA       LYS  26  -1.614   2.381  -1.850
  191    HB2  LYS  26           HB2      LYS  26  -3.627   1.669  -3.961
  192    HB3  LYS  26           HB1      LYS  26  -3.097   0.515  -2.748
  193    HG2  LYS  26           HG2      LYS  26  -4.432   3.167  -2.194
  194    HG3  LYS  26           HG1      LYS  26  -5.177   1.572  -2.050
  195    HD2  LYS  26           HD2      LYS  26  -3.465   0.978  -0.342
  196    HD3  LYS  26           HD1      LYS  26  -2.837   2.616  -0.446
  197    HE2  LYS  26           HE2      LYS  26  -4.280   2.413   1.485
  198    HE3  LYS  26           HE1      LYS  26  -5.008   3.490   0.297
  199    HZ1  LYS  26           HZ1      LYS  26  -6.510   1.725  -0.362
  200    HZ2  LYS  26           HZ2      LYS  26  -6.589   1.903   1.301
  201    HZ3  LYS  26           HZ3      LYS  26  -5.729   0.621   0.638
  202    H    TYR  27           H        TYR  27   0.490   2.885  -3.073
  203    HA   TYR  27           HA       TYR  27   1.415   0.210  -3.587
  204    HB2  TYR  27           HB2      TYR  27   2.794   0.635  -5.530
  205    HB3  TYR  27           HB1      TYR  27   1.125   0.941  -5.917
  206    HD1  TYR  27           HD1      TYR  27   0.707   2.848  -7.209
  207    HD2  TYR  27           HD2      TYR  27   4.187   2.786  -4.785
  208    HE1  TYR  27           HE1      TYR  27   1.408   5.022  -8.142
  209    HE2  TYR  27           HE2      TYR  27   4.889   4.940  -5.691
  210    HH   TYR  27           HH       TYR  27   4.526   6.309  -7.599
  211    H    CYS  28           H        CYS  28   3.727   0.027  -3.624
  212    HA   CYS  28           HA       CYS  28   4.686   1.422  -1.310
  213    HB2  CYS  28           HB2      CYS  28   6.003  -0.704  -2.984
  214    HB3  CYS  28           HB1      CYS  28   6.534  -0.153  -1.396
  215    H    ALA  29           H        ALA  29   5.972   3.051  -1.269
  216    HA   ALA  29           HA       ALA  29   7.535   3.804  -3.636
  217    HB1  ALA  29           HB1      ALA  29   5.717   5.404  -3.206
  218    HB2  ALA  29           HB2      ALA  29   7.282   6.130  -2.843
  219    HB3  ALA  29           HB3      ALA  29   6.250   5.563  -1.532
  220    H    TRP  30           H        TRP  30   9.314   5.536  -2.471
  221    HA   TRP  30           HA       TRP  30  10.767   3.660  -0.943
  222    HB2  TRP  30           HB2      TRP  30  11.545   6.407  -1.874
  223    HB3  TRP  30           HB1      TRP  30  12.586   5.412  -0.869
  224    HD1  TRP  30           HD       TRP  30  11.704   5.976  -4.416
  225    HE1  TRP  30           HE1      TRP  30  12.802   4.156  -5.886
  226    HE3  TRP  30           HE3      TRP  30  13.074   2.918  -0.804
  227    HZ2  TRP  30           HZ2      TRP  30  14.099   1.662  -5.483
  228    HZ3  TRP  30           HZ3      TRP  30  14.273   0.768  -1.324
  229    HH2  TRP  30           HH       TRP  30  14.760   0.182  -3.633
  230    H    ASP  31           H        ASP  31   8.543   5.858   0.028
  231    HA   ASP  31           HA       ASP  31   8.910   5.183   2.660
  232    HB2  ASP  31           HB2      ASP  31   9.484   7.284   3.696
  233    HB3  ASP  31           HB1      ASP  31  10.711   6.929   2.487
  234    H    PHE  32           H        PHE  32   7.165   5.847   3.790
  235    HA   PHE  32           HA       PHE  32   4.933   6.598   2.149
  236    HB2  PHE  32           HB2      PHE  32   3.486   6.467   4.186
  237    HB3  PHE  32           HB1      PHE  32   4.405   5.008   3.906
  238    HD1  PHE  32           HD1      PHE  32   6.231   4.409   5.424
  239    HD2  PHE  32           HD2      PHE  32   3.774   7.790   6.158
  240    HE1  PHE  32           HE1      PHE  32   6.988   4.442   7.758
  241    HE2  PHE  32           HE2      PHE  32   4.534   7.838   8.499
  242    HZ   PHE  32           HZ       PHE  32   6.140   6.162   9.299
  243    H    THR  33           H        THR  33   6.381   8.119   4.981
  244    HA   THR  33           HA       THR  33   6.378  10.670   3.746
  245    HB   THR  33           HB       THR  33   4.628  10.330   6.206
  246    HG1  THR  33           HG1      THR  33   4.054  10.079   3.569
  247   HG21  THR  33          HG21      THR  33   5.715  12.527   6.028
  248   HG22  THR  33          HG22      THR  33   3.973  12.667   5.799
  249   HG23  THR  33          HG23      THR  33   5.047  12.730   4.406
  250    H    PHE  34           H        PHE  34   8.550  10.144   4.237
  251    HA   PHE  34           HA       PHE  34   9.309  10.170   7.064
  252    HB2  PHE  34           HB2      PHE  34  10.382   8.513   5.558
  253    HB3  PHE  34           HB1      PHE  34  11.051   9.832   4.615
  254    HD1  PHE  34           HD1      PHE  34  11.111   8.248   7.964
  255    HD2  PHE  34           HD2      PHE  34  13.076  10.853   5.238
  256    HE1  PHE  34           HE1      PHE  34  13.095   8.257   9.411
  257    HE2  PHE  34           HE2      PHE  34  15.066  10.873   6.683
  258    HZ   PHE  34           HZ       PHE  34  15.077   9.571   8.773
  259    H    THR  35           H        THR  35   9.556  12.039   7.990
  260    HA   THR  35           HA       THR  35  10.383  14.342   6.389
  261    HB   THR  35           HB       THR  35   9.275  14.296   9.200
  262    HG1  THR  35           HG1      THR  35   8.094  14.172   6.673
  263   HG21  THR  35          HG21      THR  35  10.479  16.358   8.555
  264   HG22  THR  35          HG22      THR  35   8.749  16.651   8.738
  265   HG23  THR  35          HG23      THR  35   9.452  16.502   7.128
  Start of MODEL   11
    1    H1   ASP   1           HT1      ASP   1   4.049 -11.714   0.957
    2    H2   ASP   1           HT2      ASP   1   4.876 -11.511   2.395
    3    H3   ASP   1           HT3      ASP   1   4.987 -12.981   1.596
    4    HA   ASP   1           HA       ASP   1   6.988 -11.668   1.287
    5    HB2  ASP   1           HB2      ASP   1   5.239 -11.774  -1.181
    6    HB3  ASP   1           HB1      ASP   1   6.954 -11.402  -1.212
    7    H    CYS   2           H        CYS   2   7.780  -9.578   1.432
    8    HA   CYS   2           HA       CYS   2   5.876  -7.532   1.335
    9    HB2  CYS   2           HB2      CYS   2   7.744  -6.020   1.516
   10    HB3  CYS   2           HB1      CYS   2   7.673  -7.135   2.841
   11    H    ARG   3           H        ARG   3   5.873  -5.830   0.093
   12    HA   ARG   3           HA       ARG   3   6.268  -6.470  -2.731
   13    HB2  ARG   3           HB2      ARG   3   4.763  -4.148  -1.529
   14    HB3  ARG   3           HB1      ARG   3   4.663  -4.736  -3.184
   15    HG2  ARG   3           HG2      ARG   3   3.653  -6.099  -0.693
   16    HG3  ARG   3           HG1      ARG   3   2.686  -5.365  -1.968
   17    HD2  ARG   3           HD2      ARG   3   3.508  -7.039  -3.547
   18    HD3  ARG   3           HD1      ARG   3   4.486  -7.768  -2.269
   19    HE   ARG   3           HE       ARG   3   1.669  -7.536  -1.707
   20   HH11  ARG   3          HH11      ARG   3   4.201  -9.653  -3.004
   21   HH12  ARG   3          HH12      ARG   3   3.296 -11.080  -2.788
   22   HH21  ARG   3          HH21      ARG   3   0.435  -9.528  -1.423
   23   HH22  ARG   3          HH22      ARG   3   1.147 -11.007  -1.861
   24    H    TYR   4           H        TYR   4   7.519  -5.170  -4.068
   25    HA   TYR   4           HA       TYR   4   9.236  -3.350  -2.731
   26    HB2  TYR   4           HB2      TYR   4   9.199  -4.618  -5.451
   27    HB3  TYR   4           HB1      TYR   4  10.357  -3.413  -4.948
   28    HD1  TYR   4           HD1      TYR   4  11.616  -3.966  -2.639
   29    HD2  TYR   4           HD2      TYR   4   9.799  -6.871  -5.179
   30    HE1  TYR   4           HE1      TYR   4  13.042  -5.669  -1.684
   31    HE2  TYR   4           HE2      TYR   4  11.237  -8.607  -4.198
   32    HH   TYR   4           HH       TYR   4  13.272  -8.804  -3.068
   33    H    MET   5           H        MET   5   9.739  -1.710  -4.998
   34    HA   MET   5           HA       MET   5   7.705   0.236  -4.527
   35    HB2  MET   5           HB2      MET   5  10.230   0.550  -5.271
   36    HB3  MET   5           HB1      MET   5   9.557   0.353  -6.876
   37    HG2  MET   5           HG2      MET   5   8.051   2.229  -6.458
   38    HG3  MET   5           HG1      MET   5   8.791   2.433  -4.870
   39    HE1  MET   5           HE1      MET   5   9.670   4.787  -5.039
   40    HE2  MET   5           HE2      MET   5   8.633   4.903  -6.470
   41    HE3  MET   5           HE3      MET   5  10.297   5.515  -6.515
   42    H    PHE   6           H        PHE   6   6.030   0.834  -5.651
   43    HA   PHE   6           HA       PHE   6   4.328   0.869  -7.088
   44    HB2  PHE   6           HB2      PHE   6   6.152  -0.619  -8.995
   45    HB3  PHE   6           HB1      PHE   6   4.567   0.009  -9.433
   46    HD1  PHE   6           HD1      PHE   6   8.033   0.781  -8.836
   47    HD2  PHE   6           HD2      PHE   6   4.187   2.463  -9.468
   48    HE1  PHE   6           HE1      PHE   6   9.070   2.924  -9.309
   49    HE2  PHE   6           HE2      PHE   6   5.214   4.635  -9.962
   50    HZ   PHE   6           HZ       PHE   6   7.657   4.880  -9.887
   51    H    GLY   7           H        GLY   7   5.275  -1.648  -5.441
   52    HA2  GLY   7           HA2      GLY   7   3.365  -3.568  -6.441
   53    HA3  GLY   7           HA1      GLY   7   4.358  -3.720  -4.990
   54    H    ASP   8           H        ASP   8   1.505  -4.132  -5.362
   55    HA   ASP   8           HA       ASP   8  -0.042  -1.974  -4.325
   56    HB2  ASP   8           HB2      ASP   8  -1.057  -3.550  -5.606
   57    HB3  ASP   8           HB1      ASP   8  -0.542  -4.901  -4.582
   58    H    CYS   9           H        CYS   9  -0.776  -1.533  -2.354
   59    HA   CYS   9           HA       CYS   9  -0.139  -3.249  -0.134
   60    HB2  CYS   9           HB2      CYS   9   1.369  -1.698   0.953
   61    HB3  CYS   9           HB1      CYS   9   1.890  -2.111  -0.701
   62    H    GLU  10           H        GLU  10  -1.158  -2.549   1.825
   63    HA   GLU  10           HA       GLU  10  -2.947  -0.220   1.626
   64    HB2  GLU  10           HB2      GLU  10  -3.128  -2.773   3.199
   65    HB3  GLU  10           HB1      GLU  10  -3.881  -1.314   3.793
   66    HG2  GLU  10           HG2      GLU  10  -5.466  -2.740   2.678
   67    HG3  GLU  10           HG1      GLU  10  -5.278  -1.203   1.836
   68    H    LYS  11           H        LYS  11  -0.469  -1.950   3.442
   69    HA   LYS  11           HA       LYS  11  -0.164   0.357   5.177
   70    HB2  LYS  11           HB2      LYS  11   0.457  -1.260   6.955
   71    HB3  LYS  11           HB1      LYS  11  -1.224  -1.353   6.489
   72    HG2  LYS  11           HG2      LYS  11  -0.662  -3.342   5.102
   73    HG3  LYS  11           HG1      LYS  11   0.994  -3.238   5.690
   74    HD2  LYS  11           HD2      LYS  11   0.174  -3.543   7.989
   75    HD3  LYS  11           HD1      LYS  11  -1.472  -3.667   7.380
   76    HE2  LYS  11           HE2      LYS  11   0.816  -5.562   6.791
   77    HE3  LYS  11           HE1      LYS  11  -0.560  -5.879   7.830
   78    HZ1  LYS  11           HZ1      LYS  11  -0.904  -6.942   5.776
   79    HZ2  LYS  11           HZ2      LYS  11  -0.534  -5.610   4.869
   80    HZ3  LYS  11           HZ3      LYS  11  -1.980  -5.632   5.767
   81    H    ASP  12           H        ASP  12   2.043   0.121   6.237
   82    HA   ASP  12           HA       ASP  12   3.941   0.152   4.064
   83    HB2  ASP  12           HB2      ASP  12   4.456   0.478   7.031
   84    HB3  ASP  12           HB1      ASP  12   5.626   0.781   5.752
   85    H    GLU  13           H        GLU  13   2.830  -2.067   6.238
   86    HA   GLU  13           HA       GLU  13   5.174  -3.691   6.569
   87    HB2  GLU  13           HB2      GLU  13   2.300  -4.293   6.864
   88    HB3  GLU  13           HB1      GLU  13   3.572  -5.413   7.288
   89    HG2  GLU  13           HG2      GLU  13   4.445  -3.722   8.909
   90    HG3  GLU  13           HG1      GLU  13   3.026  -2.736   8.561
   91    H    ASP  14           H        ASP  14   2.682  -3.372   4.219
   92    HA   ASP  14           HA       ASP  14   2.959  -5.983   3.157
   93    HB2  ASP  14           HB2      ASP  14   1.906  -3.549   1.669
   94    HB3  ASP  14           HB1      ASP  14   1.736  -5.261   1.292
   95    H    CYS  15           H        CYS  15   4.520  -2.956   2.829
   96    HA   CYS  15           HA       CYS  15   6.038  -3.660   0.464
   97    HB2  CYS  15           HB2      CYS  15   6.343  -1.297   2.300
   98    HB3  CYS  15           HB1      CYS  15   6.923  -1.460   0.651
   99    H    CYS  16           H        CYS  16   8.405  -3.617   0.588
  100    HA   CYS  16           HA       CYS  16   9.420  -4.963   2.809
  101    HB2  CYS  16           HB2      CYS  16  10.840  -3.669   0.496
  102    HB3  CYS  16           HB1      CYS  16  11.572  -4.756   1.601
  103    H    LYS  17           H        LYS  17  11.759  -4.011   3.442
  104    HA   LYS  17           HA       LYS  17  11.136  -2.432   5.670
  105    HB2  LYS  17           HB2      LYS  17  13.834  -2.894   4.444
  106    HB3  LYS  17           HB1      LYS  17  13.526  -2.320   6.074
  107    HG2  LYS  17           HG2      LYS  17  12.652  -4.960   4.983
  108    HG3  LYS  17           HG1      LYS  17  14.130  -4.675   5.907
  109    HD2  LYS  17           HD2      LYS  17  12.743  -3.901   7.804
  110    HD3  LYS  17           HD1      LYS  17  11.290  -4.216   6.854
  111    HE2  LYS  17           HE2      LYS  17  11.718  -6.047   8.400
  112    HE3  LYS  17           HE1      LYS  17  11.886  -6.579   6.725
  113    HZ1  LYS  17           HZ1      LYS  17  14.282  -6.448   6.956
  114    HZ2  LYS  17           HZ2      LYS  17  13.658  -7.422   8.172
  115    HZ3  LYS  17           HZ3      LYS  17  14.130  -5.852   8.518
  116    H    HIS  18           H        HIS  18  13.106  -1.538   2.997
  117    HA   HIS  18           HA       HIS  18  13.357   1.216   3.892
  118    HB2  HIS  18           HB2      HIS  18  14.405  -0.047   1.350
  119    HB3  HIS  18           HB1      HIS  18  14.889   1.506   2.012
  120    HD1  HIS  18           HD1      HIS  18  16.414  -1.506   1.623
  121    HD2  HIS  18           HD2      HIS  18  15.598   0.719   5.027
  122    HE1  HIS  18           HE1      HIS  18  18.024  -2.303   3.375
  123    H    LEU  19           H        LEU  19  10.722   0.141   2.879
  124    HA   LEU  19           HA       LEU  19  10.244   2.207   0.842
  125    HB2  LEU  19           HB2      LEU  19   8.998  -0.544   1.058
  126    HB3  LEU  19           HB1      LEU  19   8.573   0.678  -0.120
  127    HG   LEU  19           HG       LEU  19  11.338  -0.538   0.011
  128   HD11  LEU  19          HD11      LEU  19  10.691  -1.913  -1.818
  129   HD12  LEU  19          HD12      LEU  19   9.033  -1.314  -1.730
  130   HD13  LEU  19          HD13      LEU  19   9.694  -2.296  -0.408
  131   HD21  LEU  19          HD21      LEU  19  11.431   0.203  -2.296
  132   HD22  LEU  19          HD22      LEU  19  11.232   1.539  -1.169
  133   HD23  LEU  19          HD23      LEU  19   9.850   0.965  -2.121
  134    H    GLY  20           H        GLY  20   7.945   2.748   0.785
  135    HA2  GLY  20           HA2      GLY  20   6.574   2.456   3.343
  136    HA3  GLY  20           HA1      GLY  20   6.887   4.079   2.713
  137    H    CYS  21           H        CYS  21   4.349   2.666   3.105
  138    HA   CYS  21           HA       CYS  21   3.525   2.086   0.380
  139    HB2  CYS  21           HB2      CYS  21   2.771   0.571   2.125
  140    HB3  CYS  21           HB1      CYS  21   2.023   1.904   2.992
  141    H    LYS  22           H        LYS  22   2.561   3.512  -0.868
  142    HA   LYS  22           HA       LYS  22   1.672   5.928   0.400
  143    HB2  LYS  22           HB2      LYS  22   2.453   5.281  -2.387
  144    HB3  LYS  22           HB1      LYS  22   1.288   6.575  -2.133
  145    HG2  LYS  22           HG2      LYS  22   3.978   6.410  -0.824
  146    HG3  LYS  22           HG1      LYS  22   3.620   7.386  -2.261
  147    HD2  LYS  22           HD2      LYS  22   1.871   8.567  -0.935
  148    HD3  LYS  22           HD1      LYS  22   2.358   7.665   0.482
  149    HE2  LYS  22           HE2      LYS  22   4.584   8.625   0.357
  150    HE3  LYS  22           HE1      LYS  22   4.118   9.516  -1.093
  151    HZ1  LYS  22           HZ1      LYS  22   2.478  10.738   0.222
  152    HZ2  LYS  22           HZ2      LYS  22   3.997  10.873   0.910
  153    HZ3  LYS  22           HZ3      LYS  22   2.881   9.841   1.596
  154    H    ARG  23           H        ARG  23  -0.172   5.999   1.106
  155    HA   ARG  23           HA       ARG  23  -2.263   4.233   0.295
  156    HB2  ARG  23           HB2      ARG  23  -2.230   6.569   2.205
  157    HB3  ARG  23           HB1      ARG  23  -3.673   5.638   1.873
  158    HG2  ARG  23           HG2      ARG  23  -2.790   4.856   3.920
  159    HG3  ARG  23           HG1      ARG  23  -2.442   3.625   2.699
  160    HD2  ARG  23           HD2      ARG  23  -0.133   4.354   2.602
  161    HD3  ARG  23           HD1      ARG  23  -0.488   5.676   3.715
  162    HE   ARG  23           HE       ARG  23  -1.289   3.419   5.016
  163   HH11  ARG  23          HH11      ARG  23   1.805   4.462   3.664
  164   HH12  ARG  23          HH12      ARG  23   2.747   3.680   4.847
  165   HH21  ARG  23          HH21      ARG  23   0.044   2.370   6.693
  166   HH22  ARG  23          HH22      ARG  23   1.749   2.575   6.587
  167    H    LYS  24           H        LYS  24  -1.096   6.926  -1.081
  168    HA   LYS  24           HA       LYS  24  -3.600   8.157  -1.854
  169    HB2  LYS  24           HB2      LYS  24  -1.604   9.535  -1.402
  170    HB3  LYS  24           HB1      LYS  24  -0.727   8.682  -2.657
  171    HG2  LYS  24           HG2      LYS  24  -2.350   9.555  -4.319
  172    HG3  LYS  24           HG1      LYS  24  -3.098  10.503  -3.035
  173    HD2  LYS  24           HD2      LYS  24  -0.209  10.722  -3.909
  174    HD3  LYS  24           HD1      LYS  24  -1.496  11.807  -4.412
  175    HE2  LYS  24           HE2      LYS  24  -0.577  11.392  -1.557
  176    HE3  LYS  24           HE1      LYS  24  -0.116  12.736  -2.593
  177    HZ1  LYS  24           HZ1      LYS  24  -2.880  12.119  -1.692
  178    HZ2  LYS  24           HZ2      LYS  24  -2.444  13.396  -2.700
  179    HZ3  LYS  24           HZ3      LYS  24  -1.898  13.354  -1.118
  180    H    MET  25           H        MET  25  -1.063   6.108  -3.003
  181    HA   MET  25           HA       MET  25  -2.377   5.915  -5.606
  182    HB2  MET  25           HB2      MET  25   0.501   5.686  -4.846
  183    HB3  MET  25           HB1      MET  25  -0.131   5.196  -6.384
  184    HG2  MET  25           HG2      MET  25  -0.283   7.983  -5.245
  185    HG3  MET  25           HG1      MET  25   0.832   7.447  -6.502
  186    HE1  MET  25           HE1      MET  25   0.050   6.748  -8.962
  187    HE2  MET  25           HE2      MET  25  -1.631   6.735  -9.489
  188    HE3  MET  25           HE3      MET  25  -1.077   5.563  -8.296
  189    H    LYS  26           H        LYS  26  -1.710   4.208  -2.818
  190    HA   LYS  26           HA       LYS  26  -1.958   2.122  -2.117
  191    HB2  LYS  26           HB2      LYS  26  -3.314   1.623  -4.772
  192    HB3  LYS  26           HB1      LYS  26  -3.310   0.505  -3.417
  193    HG2  LYS  26           HG2      LYS  26  -4.602   3.219  -3.550
  194    HG3  LYS  26           HG1      LYS  26  -5.393   1.651  -3.382
  195    HD2  LYS  26           HD2      LYS  26  -3.520   2.901  -1.403
  196    HD3  LYS  26           HD1      LYS  26  -5.284   2.914  -1.226
  197    HE2  LYS  26           HE2      LYS  26  -3.422   0.519  -1.193
  198    HE3  LYS  26           HE1      LYS  26  -4.299   1.175   0.176
  199    HZ1  LYS  26           HZ1      LYS  26  -6.357   0.457  -0.820
  200    HZ2  LYS  26           HZ2      LYS  26  -5.266  -0.848  -0.786
  201    HZ3  LYS  26           HZ3      LYS  26  -5.558  -0.040  -2.213
  202    H    TYR  27           H        TYR  27   0.349   2.848  -3.141
  203    HA   TYR  27           HA       TYR  27   1.415   0.215  -3.568
  204    HB2  TYR  27           HB2      TYR  27   2.802   0.571  -5.505
  205    HB3  TYR  27           HB1      TYR  27   1.124   0.796  -5.913
  206    HD1  TYR  27           HD1      TYR  27   4.266   2.689  -5.120
  207    HD2  TYR  27           HD2      TYR  27   0.503   2.721  -7.102
  208    HE1  TYR  27           HE1      TYR  27   4.905   4.741  -6.267
  209    HE2  TYR  27           HE2      TYR  27   1.129   4.788  -8.242
  210    HH   TYR  27           HH       TYR  27   4.337   6.042  -8.195
  211    H    CYS  28           H        CYS  28   3.662   0.010  -3.540
  212    HA   CYS  28           HA       CYS  28   4.678   1.500  -1.321
  213    HB2  CYS  28           HB2      CYS  28   6.006  -0.645  -2.961
  214    HB3  CYS  28           HB1      CYS  28   6.505  -0.075  -1.372
  215    H    ALA  29           H        ALA  29   6.021   3.096  -1.354
  216    HA   ALA  29           HA       ALA  29   7.609   3.686  -3.748
  217    HB1  ALA  29           HB1      ALA  29   5.865   5.379  -3.396
  218    HB2  ALA  29           HB2      ALA  29   7.454   6.068  -3.063
  219    HB3  ALA  29           HB3      ALA  29   6.395   5.603  -1.727
  220    H    TRP  30           H        TRP  30   9.505   5.377  -2.610
  221    HA   TRP  30           HA       TRP  30  10.862   3.494  -0.914
  222    HB2  TRP  30           HB2      TRP  30  11.756   6.146  -2.036
  223    HB3  TRP  30           HB1      TRP  30  12.730   5.185  -0.944
  224    HD1  TRP  30           HD       TRP  30  11.844   5.509  -4.546
  225    HE1  TRP  30           HE1      TRP  30  13.025   3.627  -5.876
  226    HE3  TRP  30           HE3      TRP  30  13.354   2.787  -0.709
  227    HZ2  TRP  30           HZ2      TRP  30  14.465   1.250  -5.291
  228    HZ3  TRP  30           HZ3      TRP  30  14.683   0.674  -1.075
  229    HH2  TRP  30           HH       TRP  30  15.203  -0.049  -3.348
  230    H    ASP  31           H        ASP  31   8.566   5.596  -0.130
  231    HA   ASP  31           HA       ASP  31   9.048   5.650   2.555
  232    HB2  ASP  31           HB2      ASP  31  10.738   7.214   2.201
  233    HB3  ASP  31           HB1      ASP  31   9.810   8.138   1.022
  234    H    PHE  32           H        PHE  32   7.331   6.589   3.540
  235    HA   PHE  32           HA       PHE  32   4.939   6.767   1.833
  236    HB2  PHE  32           HB2      PHE  32   3.668   6.277   3.903
  237    HB3  PHE  32           HB1      PHE  32   4.809   5.019   3.460
  238    HD1  PHE  32           HD1      PHE  32   4.305   7.902   5.795
  239    HD2  PHE  32           HD2      PHE  32   6.449   4.304   4.982
  240    HE1  PHE  32           HE1      PHE  32   5.220   7.922   8.066
  241    HE2  PHE  32           HE2      PHE  32   7.379   4.351   7.252
  242    HZ   PHE  32           HZ       PHE  32   6.765   6.152   8.796
  243    H    THR  33           H        THR  33   6.995   8.896   3.270
  244    HA   THR  33           HA       THR  33   6.923  11.038   3.850
  245    HB   THR  33           HB       THR  33   3.944  10.873   3.384
  246    HG1  THR  33           HG1      THR  33   6.100  11.414   1.760
  247   HG21  THR  33          HG21      THR  33   3.938  13.342   3.488
  248   HG22  THR  33          HG22      THR  33   5.651  13.289   3.963
  249   HG23  THR  33          HG23      THR  33   4.416  12.542   4.991
  250    H    PHE  34           H        PHE  34   7.591  10.828   5.830
  251    HA   PHE  34           HA       PHE  34   5.879   9.849   7.926
  252    HB2  PHE  34           HB2      PHE  34   8.297   9.277   7.866
  253    HB3  PHE  34           HB1      PHE  34   8.687  10.976   8.085
  254    HD1  PHE  34           HD1      PHE  34   8.743  11.929  10.242
  255    HD2  PHE  34           HD2      PHE  34   7.117   8.045   9.689
  256    HE1  PHE  34           HE1      PHE  34   8.698  11.609  12.681
  257    HE2  PHE  34           HE2      PHE  34   7.066   7.711  12.126
  258    HZ   PHE  34           HZ       PHE  34   7.857   9.496  13.627
  259    H    THR  35           H        THR  35   4.294  11.209   8.359
  260    HA   THR  35           HA       THR  35   4.721  14.054   8.565
  261    HB   THR  35           HB       THR  35   2.258  12.390   9.139
  262    HG1  THR  35           HG1      THR  35   3.205  13.707   6.809
  263   HG21  THR  35          HG21      THR  35   1.053  14.517   8.812
  264   HG22  THR  35          HG22      THR  35   2.595  15.351   8.609
  265   HG23  THR  35          HG23      THR  35   2.186  14.623  10.160
  Start of MODEL   12
    1    H1   ASP   1           HT1      ASP   1   5.291 -12.249   0.205
    2    H2   ASP   1           HT2      ASP   1   5.578 -12.082   1.850
    3    H3   ASP   1           HT3      ASP   1   6.327 -13.347   0.990
    4    HA   ASP   1           HA       ASP   1   7.848 -11.571   1.466
    5    HB2  ASP   1           HB2      ASP   1   7.011 -11.815  -1.432
    6    HB3  ASP   1           HB1      ASP   1   8.467 -10.972  -0.914
    7    H    CYS   2           H        CYS   2   8.440  -9.291   0.972
    8    HA   CYS   2           HA       CYS   2   6.119  -7.656   1.280
    9    HB2  CYS   2           HB2      CYS   2   7.765  -5.851   1.410
   10    HB3  CYS   2           HB1      CYS   2   7.964  -7.085   2.635
   11    H    ARG   3           H        ARG   3   5.921  -5.761   0.113
   12    HA   ARG   3           HA       ARG   3   5.978  -6.251  -2.772
   13    HB2  ARG   3           HB2      ARG   3   4.946  -3.819  -1.324
   14    HB3  ARG   3           HB1      ARG   3   4.569  -4.329  -2.950
   15    HG2  ARG   3           HG2      ARG   3   3.697  -5.703  -0.426
   16    HG3  ARG   3           HG1      ARG   3   2.716  -4.613  -1.396
   17    HD2  ARG   3           HD2      ARG   3   2.997  -6.202  -3.298
   18    HD3  ARG   3           HD1      ARG   3   3.781  -7.312  -2.168
   19    HE   ARG   3           HE       ARG   3   1.100  -6.265  -1.678
   20   HH11  ARG   3          HH11      ARG   3   3.267  -9.057  -2.066
   21   HH12  ARG   3          HH12      ARG   3   2.071 -10.202  -1.694
   22   HH21  ARG   3          HH21      ARG   3  -0.534  -7.896  -1.146
   23   HH22  ARG   3          HH22      ARG   3  -0.082  -9.553  -1.156
   24    H    TYR   4           H        TYR   4   7.565  -5.265  -4.049
   25    HA   TYR   4           HA       TYR   4   9.223  -3.340  -2.823
   26    HB2  TYR   4           HB2      TYR   4   9.143  -4.648  -5.524
   27    HB3  TYR   4           HB1      TYR   4  10.256  -3.376  -5.115
   28    HD1  TYR   4           HD1      TYR   4   9.989  -6.801  -5.390
   29    HD2  TYR   4           HD2      TYR   4  11.539  -3.862  -2.722
   30    HE1  TYR   4           HE1      TYR   4  11.568  -8.446  -4.466
   31    HE2  TYR   4           HE2      TYR   4  13.103  -5.495  -1.819
   32    HH   TYR   4           HH       TYR   4  13.610  -8.514  -3.338
   33    H    MET   5           H        MET   5   9.621  -1.705  -5.138
   34    HA   MET   5           HA       MET   5   7.525   0.188  -4.598
   35    HB2  MET   5           HB2      MET   5  10.031   0.596  -5.385
   36    HB3  MET   5           HB1      MET   5   9.311   0.436  -6.980
   37    HG2  MET   5           HG2      MET   5   7.682   2.188  -6.366
   38    HG3  MET   5           HG1      MET   5   8.562   2.382  -4.851
   39    HE1  MET   5           HE1      MET   5   9.260   4.750  -4.955
   40    HE2  MET   5           HE2      MET   5   8.055   4.875  -6.249
   41    HE3  MET   5           HE3      MET   5   9.652   5.630  -6.430
   42    H    PHE   6           H        PHE   6   5.831   0.723  -5.656
   43    HA   PHE   6           HA       PHE   6   4.126   0.742  -7.081
   44    HB2  PHE   6           HB2      PHE   6   5.880  -0.805  -9.016
   45    HB3  PHE   6           HB1      PHE   6   4.285  -0.167  -9.401
   46    HD1  PHE   6           HD1      PHE   6   7.792   0.604  -8.915
   47    HD2  PHE   6           HD2      PHE   6   3.935   2.254  -9.568
   48    HE1  PHE   6           HE1      PHE   6   8.829   2.719  -9.525
   49    HE2  PHE   6           HE2      PHE   6   4.963   4.403 -10.203
   50    HZ   PHE   6           HZ       PHE   6   7.415   4.644 -10.184
   51    H    GLY   7           H        GLY   7   5.237  -1.815  -5.488
   52    HA2  GLY   7           HA2      GLY   7   3.271  -3.714  -6.343
   53    HA3  GLY   7           HA1      GLY   7   4.290  -3.832  -4.904
   54    H    ASP   8           H        ASP   8   1.291  -3.990  -5.465
   55    HA   ASP   8           HA       ASP   8  -0.051  -1.791  -4.348
   56    HB2  ASP   8           HB2      ASP   8  -1.183  -3.279  -5.628
   57    HB3  ASP   8           HB1      ASP   8  -0.824  -4.672  -4.589
   58    H    CYS   9           H        CYS   9  -0.794  -1.305  -2.384
   59    HA   CYS   9           HA       CYS   9   0.061  -3.053  -0.225
   60    HB2  CYS   9           HB2      CYS   9   1.324  -1.366   0.883
   61    HB3  CYS   9           HB1      CYS   9   1.774  -1.460  -0.835
   62    H    GLU  10           H        GLU  10  -0.962  -2.669   1.740
   63    HA   GLU  10           HA       GLU  10  -3.333  -0.940   1.629
   64    HB2  GLU  10           HB2      GLU  10  -2.812  -3.453   3.211
   65    HB3  GLU  10           HB1      GLU  10  -4.284  -2.497   3.259
   66    HG2  GLU  10           HG2      GLU  10  -4.749  -3.050   0.954
   67    HG3  GLU  10           HG1      GLU  10  -3.227  -3.938   0.843
   68    H    LYS  11           H        LYS  11  -0.619  -2.248   3.444
   69    HA   LYS  11           HA       LYS  11  -0.683  -0.002   5.276
   70    HB2  LYS  11           HB2      LYS  11  -0.010  -1.674   7.034
   71    HB3  LYS  11           HB1      LYS  11  -1.684  -1.784   6.522
   72    HG2  LYS  11           HG2      LYS  11  -0.936  -3.632   4.961
   73    HG3  LYS  11           HG1      LYS  11   0.621  -3.574   5.777
   74    HD2  LYS  11           HD2      LYS  11  -0.484  -4.104   7.894
   75    HD3  LYS  11           HD1      LYS  11  -2.041  -4.153   7.063
   76    HE2  LYS  11           HE2      LYS  11   0.319  -5.965   6.549
   77    HE3  LYS  11           HE1      LYS  11  -1.168  -6.404   7.381
   78    HZ1  LYS  11           HZ1      LYS  11  -2.369  -5.937   5.282
   79    HZ2  LYS  11           HZ2      LYS  11  -1.263  -7.197   5.172
   80    HZ3  LYS  11           HZ3      LYS  11  -0.877  -5.727   4.476
   81    H    ASP  12           H        ASP  12   1.510  -0.153   6.475
   82    HA   ASP  12           HA       ASP  12   3.474  -0.019   4.362
   83    HB2  ASP  12           HB2      ASP  12   3.839   0.431   7.326
   84    HB3  ASP  12           HB1      ASP  12   5.073   0.724   6.104
   85    H    GLU  13           H        GLU  13   2.436  -2.344   6.445
   86    HA   GLU  13           HA       GLU  13   4.838  -3.829   6.887
   87    HB2  GLU  13           HB2      GLU  13   2.024  -4.761   6.791
   88    HB3  GLU  13           HB1      GLU  13   3.361  -5.684   7.425
   89    HG2  GLU  13           HG2      GLU  13   3.717  -3.820   9.104
   90    HG3  GLU  13           HG1      GLU  13   2.156  -3.180   8.580
   91    H    ASP  14           H        ASP  14   2.602  -3.501   4.305
   92    HA   ASP  14           HA       ASP  14   3.126  -6.033   3.120
   93    HB2  ASP  14           HB2      ASP  14   2.048  -3.565   1.698
   94    HB3  ASP  14           HB1      ASP  14   2.009  -5.254   1.204
   95    H    CYS  15           H        CYS  15   4.543  -2.881   3.067
   96    HA   CYS  15           HA       CYS  15   6.115  -3.425   0.687
   97    HB2  CYS  15           HB2      CYS  15   6.320  -1.064   2.508
   98    HB3  CYS  15           HB1      CYS  15   6.797  -1.193   0.832
   99    H    CYS  16           H        CYS  16   8.371  -3.394   0.717
  100    HA   CYS  16           HA       CYS  16   9.631  -4.676   2.853
  101    HB2  CYS  16           HB2      CYS  16  10.930  -3.167   0.596
  102    HB3  CYS  16           HB1      CYS  16  11.617  -4.443   1.535
  103    H    LYS  17           H        LYS  17  11.945  -3.617   3.462
  104    HA   LYS  17           HA       LYS  17  11.283  -1.849   5.575
  105    HB2  LYS  17           HB2      LYS  17  13.993  -2.550   4.505
  106    HB3  LYS  17           HB1      LYS  17  13.647  -1.833   6.070
  107    HG2  LYS  17           HG2      LYS  17  12.806  -4.549   5.128
  108    HG3  LYS  17           HG1      LYS  17  14.156  -4.154   6.200
  109    HD2  LYS  17           HD2      LYS  17  12.493  -3.174   7.798
  110    HD3  LYS  17           HD1      LYS  17  11.206  -3.722   6.727
  111    HE2  LYS  17           HE2      LYS  17  11.484  -5.303   8.531
  112    HE3  LYS  17           HE1      LYS  17  11.983  -6.035   7.006
  113    HZ1  LYS  17           HZ1      LYS  17  13.525  -6.528   8.806
  114    HZ2  LYS  17           HZ2      LYS  17  13.832  -4.875   9.018
  115    HZ3  LYS  17           HZ3      LYS  17  14.275  -5.641   7.589
  116    H    HIS  18           H        HIS  18  13.335  -1.369   2.854
  117    HA   HIS  18           HA       HIS  18  13.751   1.453   3.326
  118    HB2  HIS  18           HB2      HIS  18  14.420  -0.235   0.898
  119    HB3  HIS  18           HB1      HIS  18  14.861   1.454   1.060
  120    HD1  HIS  18           HD1      HIS  18  17.298   1.641   1.656
  121    HD2  HIS  18           HD2      HIS  18  15.514  -1.691   3.386
  122    HE1  HIS  18           HE1      HIS  18  19.109   0.469   2.937
  123    H    LEU  19           H        LEU  19  10.978   0.233   2.615
  124    HA   LEU  19           HA       LEU  19  10.152   2.274   0.636
  125    HB2  LEU  19           HB2      LEU  19   9.154  -0.572   0.919
  126    HB3  LEU  19           HB1      LEU  19   8.586   0.616  -0.226
  127    HG   LEU  19           HG       LEU  19  11.383  -0.538  -0.278
  128   HD11  LEU  19          HD11      LEU  19   8.987  -1.251  -1.925
  129   HD12  LEU  19          HD12      LEU  19   9.682  -2.260  -0.656
  130   HD13  LEU  19          HD13      LEU  19  10.624  -1.871  -2.109
  131   HD21  LEU  19          HD21      LEU  19   9.789   1.092  -2.236
  132   HD22  LEU  19          HD22      LEU  19  11.292   0.257  -2.602
  133   HD23  LEU  19          HD23      LEU  19  11.288   1.548  -1.406
  134    H    GLY  20           H        GLY  20   7.684   2.241   0.754
  135    HA2  GLY  20           HA2      GLY  20   6.561   1.674   3.317
  136    HA3  GLY  20           HA1      GLY  20   6.785   3.396   2.986
  137    H    CYS  21           H        CYS  21   4.237   2.446   3.288
  138    HA   CYS  21           HA       CYS  21   3.294   1.875   0.607
  139    HB2  CYS  21           HB2      CYS  21   2.429   0.460   2.368
  140    HB3  CYS  21           HB1      CYS  21   1.919   1.860   3.296
  141    H    LYS  22           H        LYS  22   2.578   3.421  -0.634
  142    HA   LYS  22           HA       LYS  22   1.745   5.887   0.624
  143    HB2  LYS  22           HB2      LYS  22   2.632   5.280  -2.165
  144    HB3  LYS  22           HB1      LYS  22   1.707   6.733  -1.803
  145    HG2  LYS  22           HG2      LYS  22   4.169   5.935  -0.400
  146    HG3  LYS  22           HG1      LYS  22   4.210   7.031  -1.800
  147    HD2  LYS  22           HD2      LYS  22   2.639   8.517  -0.484
  148    HD3  LYS  22           HD1      LYS  22   2.836   7.444   0.881
  149    HE2  LYS  22           HE2      LYS  22   4.325   9.381   1.084
  150    HE3  LYS  22           HE1      LYS  22   5.245   7.889   0.933
  151    HZ1  LYS  22           HZ1      LYS  22   6.190   9.657  -0.408
  152    HZ2  LYS  22           HZ2      LYS  22   4.745   9.837  -1.270
  153    HZ3  LYS  22           HZ3      LYS  22   5.631   8.435  -1.423
  154    H    ARG  23           H        ARG  23  -0.149   6.141   1.042
  155    HA   ARG  23           HA       ARG  23  -2.218   4.430   0.094
  156    HB2  ARG  23           HB2      ARG  23  -2.227   6.830   1.908
  157    HB3  ARG  23           HB1      ARG  23  -3.693   5.991   1.455
  158    HG2  ARG  23           HG2      ARG  23  -3.021   5.297   3.623
  159    HG3  ARG  23           HG1      ARG  23  -2.771   3.948   2.495
  160    HD2  ARG  23           HD2      ARG  23  -0.400   4.385   2.519
  161    HD3  ARG  23           HD1      ARG  23  -0.646   5.798   3.549
  162    HE   ARG  23           HE       ARG  23  -1.810   3.677   4.862
  163   HH11  ARG  23          HH11      ARG  23   1.457   4.406   3.744
  164   HH12  ARG  23          HH12      ARG  23   2.217   3.575   5.017
  165   HH21  ARG  23          HH21      ARG  23  -0.733   2.572   6.651
  166   HH22  ARG  23          HH22      ARG  23   0.991   2.599   6.690
  167    H    LYS  24           H        LYS  24  -0.816   7.125  -1.142
  168    HA   LYS  24           HA       LYS  24  -3.284   8.245  -2.213
  169    HB2  LYS  24           HB2      LYS  24  -0.401   9.045  -2.688
  170    HB3  LYS  24           HB1      LYS  24  -1.791   9.875  -3.368
  171    HG2  LYS  24           HG2      LYS  24  -2.550  10.415  -1.088
  172    HG3  LYS  24           HG1      LYS  24  -1.104   9.637  -0.447
  173    HD2  LYS  24           HD2      LYS  24   0.300  11.239  -1.645
  174    HD3  LYS  24           HD1      LYS  24  -1.139  12.008  -2.317
  175    HE2  LYS  24           HE2      LYS  24  -1.882  12.526  -0.017
  176    HE3  LYS  24           HE1      LYS  24  -0.381  11.839   0.596
  177    HZ1  LYS  24           HZ1      LYS  24   0.829  13.546  -0.694
  178    HZ2  LYS  24           HZ2      LYS  24  -0.183  14.193   0.466
  179    HZ3  LYS  24           HZ3      LYS  24  -0.649  14.238  -1.143
  180    H    MET  25           H        MET  25  -0.695   6.188  -2.989
  181    HA   MET  25           HA       MET  25  -1.528   6.113  -5.790
  182    HB2  MET  25           HB2      MET  25   1.146   5.282  -4.641
  183    HB3  MET  25           HB1      MET  25   0.689   5.442  -6.314
  184    HG2  MET  25           HG2      MET  25   0.988   7.683  -4.329
  185    HG3  MET  25           HG1      MET  25   2.047   7.321  -5.685
  186    HE1  MET  25           HE1      MET  25  -0.213   8.282  -8.752
  187    HE2  MET  25           HE2      MET  25  -0.004   6.685  -8.031
  188    HE3  MET  25           HE3      MET  25   1.386   7.751  -8.232
  189    H    LYS  26           H        LYS  26  -1.532   4.426  -2.889
  190    HA   LYS  26           HA       LYS  26  -2.102   2.420  -2.152
  191    HB2  LYS  26           HB2      LYS  26  -3.218   1.917  -4.926
  192    HB3  LYS  26           HB1      LYS  26  -3.484   0.898  -3.540
  193    HG2  LYS  26           HG2      LYS  26  -5.450   2.228  -3.770
  194    HG3  LYS  26           HG1      LYS  26  -4.560   2.836  -2.373
  195    HD2  LYS  26           HD2      LYS  26  -3.572   4.545  -3.810
  196    HD3  LYS  26           HD1      LYS  26  -4.591   4.014  -5.138
  197    HE2  LYS  26           HE2      LYS  26  -6.597   4.465  -3.726
  198    HE3  LYS  26           HE1      LYS  26  -5.528   5.140  -2.498
  199    HZ1  LYS  26           HZ1      LYS  26  -4.792   6.784  -4.181
  200    HZ2  LYS  26           HZ2      LYS  26  -6.428   6.890  -3.827
  201    HZ3  LYS  26           HZ3      LYS  26  -5.931   6.148  -5.248
  202    H    TYR  27           H        TYR  27   0.349   2.892  -3.309
  203    HA   TYR  27           HA       TYR  27   1.175   0.131  -3.442
  204    HB2  TYR  27           HB2      TYR  27   2.686   0.336  -5.365
  205    HB3  TYR  27           HB1      TYR  27   1.022   0.539  -5.833
  206    HD1  TYR  27           HD1      TYR  27   3.852   2.766  -4.734
  207    HD2  TYR  27           HD2      TYR  27   0.734   2.068  -7.536
  208    HE1  TYR  27           HE1      TYR  27   4.554   4.741  -5.978
  209    HE2  TYR  27           HE2      TYR  27   1.414   4.063  -8.791
  210    HH   TYR  27           HH       TYR  27   2.649   6.012  -8.607
  211    H    CYS  28           H        CYS  28   3.522  -0.151  -3.411
  212    HA   CYS  28           HA       CYS  28   4.475   1.424  -1.237
  213    HB2  CYS  28           HB2      CYS  28   5.752  -0.867  -2.717
  214    HB3  CYS  28           HB1      CYS  28   6.298  -0.185  -1.187
  215    H    ALA  29           H        ALA  29   5.875   2.930  -1.309
  216    HA   ALA  29           HA       ALA  29   7.355   3.483  -3.781
  217    HB1  ALA  29           HB1      ALA  29   7.272   5.860  -3.073
  218    HB2  ALA  29           HB2      ALA  29   6.276   5.399  -1.695
  219    HB3  ALA  29           HB3      ALA  29   5.657   5.204  -3.335
  220    H    TRP  30           H        TRP  30   9.322   5.108  -2.776
  221    HA   TRP  30           HA       TRP  30  10.743   3.333  -0.977
  222    HB2  TRP  30           HB2      TRP  30  11.559   5.985  -2.203
  223    HB3  TRP  30           HB1      TRP  30  12.586   5.005  -1.181
  224    HD1  TRP  30           HD       TRP  30  11.380   5.335  -4.686
  225    HE1  TRP  30           HE1      TRP  30  12.561   3.561  -6.164
  226    HE3  TRP  30           HE3      TRP  30  13.422   2.712  -1.070
  227    HZ2  TRP  30           HZ2      TRP  30  14.208   1.274  -5.753
  228    HZ3  TRP  30           HZ3      TRP  30  14.857   0.686  -1.579
  229    HH2  TRP  30           HH       TRP  30  15.216   0.009  -3.900
  230    H    ASP  31           H        ASP  31   8.334   4.875  -0.076
  231    HA   ASP  31           HA       ASP  31   9.378   6.076   2.272
  232    HB2  ASP  31           HB2      ASP  31   9.772   7.689   0.611
  233    HB3  ASP  31           HB1      ASP  31   8.097   7.623   0.080
  234    H    PHE  32           H        PHE  32   7.912   5.899   3.749
  235    HA   PHE  32           HA       PHE  32   5.263   4.831   3.202
  236    HB2  PHE  32           HB2      PHE  32   5.003   4.646   5.625
  237    HB3  PHE  32           HB1      PHE  32   6.569   4.014   5.163
  238    HD1  PHE  32           HD1      PHE  32   8.589   5.048   5.933
  239    HD2  PHE  32           HD2      PHE  32   4.812   6.796   6.858
  240    HE1  PHE  32           HE1      PHE  32   9.658   6.476   7.633
  241    HE2  PHE  32           HE2      PHE  32   5.878   8.208   8.557
  242    HZ   PHE  32           HZ       PHE  32   8.301   8.054   8.945
  243    H    THR  33           H        THR  33   3.602   5.976   5.019
  244    HA   THR  33           HA       THR  33   3.311   8.565   3.759
  245    HB   THR  33           HB       THR  33   1.354   6.866   5.269
  246    HG1  THR  33           HG1      THR  33   2.194   6.388   3.007
  247   HG21  THR  33          HG21      THR  33  -0.329   8.491   4.509
  248   HG22  THR  33          HG22      THR  33   0.970   9.461   3.777
  249   HG23  THR  33          HG23      THR  33   0.921   9.222   5.528
  250    H    PHE  34           H        PHE  34   4.278  10.097   4.841
  251    HA   PHE  34           HA       PHE  34   3.799  10.340   7.732
  252    HB2  PHE  34           HB2      PHE  34   6.182  10.060   7.188
  253    HB3  PHE  34           HB1      PHE  34   6.093  11.395   6.053
  254    HD1  PHE  34           HD1      PHE  34   6.393  13.624   6.785
  255    HD2  PHE  34           HD2      PHE  34   5.936  10.504   9.640
  256    HE1  PHE  34           HE1      PHE  34   7.093  15.161   8.564
  257    HE2  PHE  34           HE2      PHE  34   6.632  12.053  11.429
  258    HZ   PHE  34           HZ       PHE  34   7.209  14.374  10.890
  259    H    THR  35           H        THR  35   1.959  11.550   7.724
  260    HA   THR  35           HA       THR  35   2.179  14.290   6.883
  261    HB   THR  35           HB       THR  35  -0.093  12.575   5.803
  262    HG1  THR  35           HG1      THR  35   2.370  13.093   4.869
  263   HG21  THR  35          HG21      THR  35  -0.730  14.905   6.325
  264   HG22  THR  35          HG22      THR  35  -0.733  14.608   4.587
  265   HG23  THR  35          HG23      THR  35   0.605  15.485   5.328
  Start of MODEL   13
    1    H1   ASP   1           HT1      ASP   1   6.532 -13.473   1.469
    2    H2   ASP   1           HT2      ASP   1   5.301 -12.411   0.948
    3    H3   ASP   1           HT3      ASP   1   6.093 -12.119   2.372
    4    HA   ASP   1           HA       ASP   1   8.135 -11.655   1.277
    5    HB2  ASP   1           HB2      ASP   1   6.527 -12.165  -1.245
    6    HB3  ASP   1           HB1      ASP   1   8.133 -11.451  -1.210
    7    H    CYS   2           H        CYS   2   8.516  -9.439   0.903
    8    HA   CYS   2           HA       CYS   2   6.146  -7.817   1.152
    9    HB2  CYS   2           HB2      CYS   2   7.771  -6.016   1.375
   10    HB3  CYS   2           HB1      CYS   2   7.873  -7.232   2.627
   11    H    ARG   3           H        ARG   3   5.866  -6.020   0.006
   12    HA   ARG   3           HA       ARG   3   6.230  -6.413  -2.840
   13    HB2  ARG   3           HB2      ARG   3   4.645  -4.422  -1.239
   14    HB3  ARG   3           HB1      ARG   3   4.777  -4.354  -2.987
   15    HG2  ARG   3           HG2      ARG   3   3.672  -6.686  -1.440
   16    HG3  ARG   3           HG1      ARG   3   2.708  -5.410  -2.193
   17    HD2  ARG   3           HD2      ARG   3   3.630  -5.996  -4.373
   18    HD3  ARG   3           HD1      ARG   3   4.601  -7.264  -3.636
   19    HE   ARG   3           HE       ARG   3   1.907  -7.648  -2.998
   20   HH11  ARG   3          HH11      ARG   3   4.134  -7.854  -5.755
   21   HH12  ARG   3          HH12      ARG   3   3.265  -9.058  -6.584
   22   HH21  ARG   3          HH21      ARG   3   0.693  -9.364  -4.134
   23   HH22  ARG   3          HH22      ARG   3   1.272  -9.952  -5.619
   24    H    TYR   4           H        TYR   4   7.634  -5.318  -4.097
   25    HA   TYR   4           HA       TYR   4   9.308  -3.402  -2.892
   26    HB2  TYR   4           HB2      TYR   4   9.129  -4.676  -5.605
   27    HB3  TYR   4           HB1      TYR   4  10.268  -3.424  -5.227
   28    HD1  TYR   4           HD1      TYR   4  11.294  -4.068  -2.585
   29    HD2  TYR   4           HD2      TYR   4  10.295  -6.697  -5.798
   30    HE1  TYR   4           HE1      TYR   4  12.861  -5.654  -1.753
   31    HE2  TYR   4           HE2      TYR   4  11.904  -8.345  -4.920
   32    HH   TYR   4           HH       TYR   4  13.210  -8.066  -1.821
   33    H    MET   5           H        MET   5   9.685  -1.748  -5.116
   34    HA   MET   5           HA       MET   5   7.601   0.121  -4.580
   35    HB2  MET   5           HB2      MET   5  10.094   0.572  -5.310
   36    HB3  MET   5           HB1      MET   5   9.443   0.383  -6.934
   37    HG2  MET   5           HG2      MET   5   7.782   2.128  -6.435
   38    HG3  MET   5           HG1      MET   5   8.542   2.317  -4.857
   39    HE1  MET   5           HE1      MET   5   8.078   4.833  -6.382
   40    HE2  MET   5           HE2      MET   5   9.670   5.608  -6.381
   41    HE3  MET   5           HE3      MET   5   9.106   4.769  -4.942
   42    H    PHE   6           H        PHE   6   5.938   0.715  -5.661
   43    HA   PHE   6           HA       PHE   6   4.236   0.787  -7.086
   44    HB2  PHE   6           HB2      PHE   6   5.968  -0.773  -9.021
   45    HB3  PHE   6           HB1      PHE   6   4.386  -0.110  -9.416
   46    HD1  PHE   6           HD1      PHE   6   4.074   2.321  -9.574
   47    HD2  PHE   6           HD2      PHE   6   7.896   0.612  -8.875
   48    HE1  PHE   6           HE1      PHE   6   5.136   4.455 -10.169
   49    HE2  PHE   6           HE2      PHE   6   8.966   2.721  -9.451
   50    HZ   PHE   6           HZ       PHE   6   7.590   4.665 -10.115
   51    H    GLY   7           H        GLY   7   5.220  -1.777  -5.477
   52    HA2  GLY   7           HA2      GLY   7   3.246  -3.651  -6.407
   53    HA3  GLY   7           HA1      GLY   7   4.257  -3.806  -4.968
   54    H    ASP   8           H        ASP   8   1.367  -4.148  -5.325
   55    HA   ASP   8           HA       ASP   8  -0.077  -1.973  -4.232
   56    HB2  ASP   8           HB2      ASP   8  -1.266  -3.507  -5.400
   57    HB3  ASP   8           HB1      ASP   8  -0.665  -4.896  -4.476
   58    H    CYS   9           H        CYS   9  -0.841  -1.567  -2.234
   59    HA   CYS   9           HA       CYS   9   0.068  -3.233  -0.056
   60    HB2  CYS   9           HB2      CYS   9   1.359  -1.472   0.984
   61    HB3  CYS   9           HB1      CYS   9   1.875  -1.820  -0.684
   62    H    GLU  10           H        GLU  10  -1.084  -2.882   1.838
   63    HA   GLU  10           HA       GLU  10  -3.200  -0.858   1.730
   64    HB2  GLU  10           HB2      GLU  10  -3.029  -3.430   3.300
   65    HB3  GLU  10           HB1      GLU  10  -4.328  -2.258   3.425
   66    HG2  GLU  10           HG2      GLU  10  -4.897  -2.677   1.073
   67    HG3  GLU  10           HG1      GLU  10  -3.617  -3.890   1.001
   68    H    LYS  11           H        LYS  11  -0.394  -2.115   3.305
   69    HA   LYS  11           HA       LYS  11  -0.361   0.120   5.125
   70    HB2  LYS  11           HB2      LYS  11   0.365  -1.455   6.928
   71    HB3  LYS  11           HB1      LYS  11  -1.328  -1.586   6.480
   72    HG2  LYS  11           HG2      LYS  11  -0.708  -3.523   5.032
   73    HG3  LYS  11           HG1      LYS  11   0.916  -3.432   5.703
   74    HD2  LYS  11           HD2      LYS  11   0.005  -3.807   7.934
   75    HD3  LYS  11           HD1      LYS  11  -1.622  -3.866   7.257
   76    HE2  LYS  11           HE2      LYS  11   0.632  -5.791   6.650
   77    HE3  LYS  11           HE1      LYS  11  -0.764  -6.101   7.670
   78    HZ1  LYS  11           HZ1      LYS  11  -1.136  -7.071   5.599
   79    HZ2  LYS  11           HZ2      LYS  11  -0.735  -5.716   4.723
   80    HZ3  LYS  11           HZ3      LYS  11  -2.165  -5.747   5.658
   81    H    ASP  12           H        ASP  12   1.847   0.019   6.194
   82    HA   ASP  12           HA       ASP  12   3.805   0.024   4.077
   83    HB2  ASP  12           HB2      ASP  12   4.232   0.445   7.046
   84    HB3  ASP  12           HB1      ASP  12   5.416   0.757   5.786
   85    H    GLU  13           H        GLU  13   2.688  -2.185   6.264
   86    HA   GLU  13           HA       GLU  13   5.036  -3.754   6.738
   87    HB2  GLU  13           HB2      GLU  13   2.173  -4.536   6.835
   88    HB3  GLU  13           HB1      GLU  13   3.488  -5.434   7.556
   89    HG2  GLU  13           HG2      GLU  13   3.966  -3.440   9.025
   90    HG3  GLU  13           HG1      GLU  13   2.495  -2.705   8.395
   91    H    ASP  14           H        ASP  14   2.718  -3.480   4.211
   92    HA   ASP  14           HA       ASP  14   3.154  -6.119   3.165
   93    HB2  ASP  14           HB2      ASP  14   1.965  -3.768   1.640
   94    HB3  ASP  14           HB1      ASP  14   1.882  -5.499   1.316
   95    H    CYS  15           H        CYS  15   4.573  -3.033   2.983
   96    HA   CYS  15           HA       CYS  15   6.103  -3.613   0.595
   97    HB2  CYS  15           HB2      CYS  15   6.344  -1.290   2.490
   98    HB3  CYS  15           HB1      CYS  15   6.906  -1.394   0.833
   99    H    CYS  16           H        CYS  16   8.436  -3.551   0.716
  100    HA   CYS  16           HA       CYS  16   9.570  -4.880   2.904
  101    HB2  CYS  16           HB2      CYS  16  10.972  -3.358   0.712
  102    HB3  CYS  16           HB1      CYS  16  11.639  -4.619   1.680
  103    H    LYS  17           H        LYS  17  11.847  -3.761   3.648
  104    HA   LYS  17           HA       LYS  17  10.992  -2.038   5.723
  105    HB2  LYS  17           HB2      LYS  17  13.813  -2.553   4.822
  106    HB3  LYS  17           HB1      LYS  17  13.311  -1.891   6.371
  107    HG2  LYS  17           HG2      LYS  17  11.988  -3.961   6.641
  108    HG3  LYS  17           HG1      LYS  17  12.889  -4.617   5.289
  109    HD2  LYS  17           HD2      LYS  17  15.013  -4.207   6.427
  110    HD3  LYS  17           HD1      LYS  17  14.142  -3.564   7.820
  111    HE2  LYS  17           HE2      LYS  17  13.043  -5.746   8.114
  112    HE3  LYS  17           HE1      LYS  17  13.966  -6.377   6.753
  113    HZ1  LYS  17           HZ1      LYS  17  15.001  -6.986   8.816
  114    HZ2  LYS  17           HZ2      LYS  17  15.068  -5.378   9.312
  115    HZ3  LYS  17           HZ3      LYS  17  16.004  -5.890   8.003
  116    H    HIS  18           H        HIS  18  12.999  -1.484   3.042
  117    HA   HIS  18           HA       HIS  18  13.396   1.339   3.551
  118    HB2  HIS  18           HB2      HIS  18  14.122  -0.345   1.153
  119    HB3  HIS  18           HB1      HIS  18  14.514   1.359   1.288
  120    HD1  HIS  18           HD1      HIS  18  16.773   1.824   2.243
  121    HD2  HIS  18           HD2      HIS  18  15.359  -1.923   3.335
  122    HE1  HIS  18           HE1      HIS  18  18.652   0.704   3.507
  123    H    LEU  19           H        LEU  19  10.616   0.164   2.838
  124    HA   LEU  19           HA       LEU  19   9.955   2.136   0.762
  125    HB2  LEU  19           HB2      LEU  19   8.908  -0.681   1.037
  126    HB3  LEU  19           HB1      LEU  19   8.346   0.501  -0.125
  127    HG   LEU  19           HG       LEU  19  11.194  -0.510  -0.110
  128   HD11  LEU  19          HD11      LEU  19   8.869  -1.493  -1.727
  129   HD12  LEU  19          HD12      LEU  19   9.616  -2.370  -0.391
  130   HD13  LEU  19          HD13      LEU  19  10.552  -2.009  -1.852
  131   HD21  LEU  19          HD21      LEU  19  11.137   0.207  -2.416
  132   HD22  LEU  19          HD22      LEU  19  10.818   1.545  -1.315
  133   HD23  LEU  19          HD23      LEU  19   9.486   0.796  -2.210
  134    H    GLY  20           H        GLY  20   7.905   2.919   0.876
  135    HA2  GLY  20           HA2      GLY  20   6.394   2.395   3.336
  136    HA3  GLY  20           HA1      GLY  20   6.724   4.049   2.803
  137    H    CYS  21           H        CYS  21   4.185   2.615   3.063
  138    HA   CYS  21           HA       CYS  21   3.363   2.089   0.331
  139    HB2  CYS  21           HB2      CYS  21   2.577   0.591   2.052
  140    HB3  CYS  21           HB1      CYS  21   1.935   1.930   2.987
  141    H    LYS  22           H        LYS  22   2.843   3.791  -0.941
  142    HA   LYS  22           HA       LYS  22   1.998   6.313   0.154
  143    HB2  LYS  22           HB2      LYS  22   1.959   5.215  -2.611
  144    HB3  LYS  22           HB1      LYS  22   1.416   6.841  -2.238
  145    HG2  LYS  22           HG2      LYS  22   4.099   5.810  -1.596
  146    HG3  LYS  22           HG1      LYS  22   3.777   6.622  -3.142
  147    HD2  LYS  22           HD2      LYS  22   2.999   8.607  -1.696
  148    HD3  LYS  22           HD1      LYS  22   3.685   7.741  -0.324
  149    HE2  LYS  22           HE2      LYS  22   5.878   7.767  -1.325
  150    HE3  LYS  22           HE1      LYS  22   5.231   8.471  -2.802
  151    HZ1  LYS  22           HZ1      LYS  22   4.686  10.461  -1.570
  152    HZ2  LYS  22           HZ2      LYS  22   6.315  10.125  -1.467
  153    HZ3  LYS  22           HZ3      LYS  22   5.324   9.822  -0.144
  154    H    ARG  23           H        ARG  23   0.156   6.527   1.001
  155    HA   ARG  23           HA       ARG  23  -2.062   4.793   0.649
  156    HB2  ARG  23           HB2      ARG  23  -2.471   7.570   1.674
  157    HB3  ARG  23           HB1      ARG  23  -3.199   6.077   2.212
  158    HG2  ARG  23           HG2      ARG  23  -0.434   7.094   2.858
  159    HG3  ARG  23           HG1      ARG  23  -1.810   6.999   3.943
  160    HD2  ARG  23           HD2      ARG  23  -1.722   4.492   3.538
  161    HD3  ARG  23           HD1      ARG  23  -0.146   4.804   2.793
  162    HE   ARG  23           HE       ARG  23  -0.673   5.780   5.514
  163   HH11  ARG  23          HH11      ARG  23   1.299   3.822   3.422
  164   HH12  ARG  23          HH12      ARG  23   2.388   3.331   4.652
  165   HH21  ARG  23          HH21      ARG  23   0.837   5.078   7.229
  166   HH22  ARG  23          HH22      ARG  23   2.089   3.989   6.774
  167    H    LYS  24           H        LYS  24  -0.878   7.239  -1.214
  168    HA   LYS  24           HA       LYS  24  -3.457   8.292  -2.160
  169    HB2  LYS  24           HB2      LYS  24  -1.655   9.912  -1.799
  170    HB3  LYS  24           HB1      LYS  24  -0.611   9.010  -2.883
  171    HG2  LYS  24           HG2      LYS  24  -2.128   9.532  -4.747
  172    HG3  LYS  24           HG1      LYS  24  -3.116  10.497  -3.649
  173    HD2  LYS  24           HD2      LYS  24  -1.227  11.993  -3.243
  174    HD3  LYS  24           HD1      LYS  24  -0.199  10.988  -4.259
  175    HE2  LYS  24           HE2      LYS  24  -1.580  11.468  -6.187
  176    HE3  LYS  24           HE1      LYS  24  -2.676  12.421  -5.194
  177    HZ1  LYS  24           HZ1      LYS  24   0.190  13.057  -5.630
  178    HZ2  LYS  24           HZ2      LYS  24  -0.934  14.023  -4.820
  179    HZ3  LYS  24           HZ3      LYS  24  -1.074  13.760  -6.471
  180    H    MET  25           H        MET  25  -0.919   6.178  -2.998
  181    HA   MET  25           HA       MET  25  -1.955   5.937  -5.723
  182    HB2  MET  25           HB2      MET  25   0.812   5.457  -4.642
  183    HB3  MET  25           HB1      MET  25   0.264   5.029  -6.229
  184    HG2  MET  25           HG2      MET  25   0.270   7.815  -5.140
  185    HG3  MET  25           HG1      MET  25   1.512   7.125  -6.189
  186    HE1  MET  25           HE1      MET  25   1.337   8.881  -7.983
  187    HE2  MET  25           HE2      MET  25   0.202   9.787  -6.972
  188    HE3  MET  25           HE3      MET  25  -0.160   9.503  -8.684
  189    H    LYS  26           H        LYS  26  -1.524   4.331  -2.764
  190    HA   LYS  26           HA       LYS  26  -1.936   2.289  -1.983
  191    HB2  LYS  26           HB2      LYS  26  -3.219   1.713  -4.667
  192    HB3  LYS  26           HB1      LYS  26  -3.427   0.773  -3.199
  193    HG2  LYS  26           HG2      LYS  26  -4.362   3.593  -3.688
  194    HG3  LYS  26           HG1      LYS  26  -5.366   2.158  -3.481
  195    HD2  LYS  26           HD2      LYS  26  -3.493   3.273  -1.435
  196    HD3  LYS  26           HD1      LYS  26  -5.232   3.613  -1.440
  197    HE2  LYS  26           HE2      LYS  26  -3.859   0.939  -1.054
  198    HE3  LYS  26           HE1      LYS  26  -4.739   1.848   0.162
  199    HZ1  LYS  26           HZ1      LYS  26  -6.786   1.515  -1.189
  200    HZ2  LYS  26           HZ2      LYS  26  -6.121   0.099  -0.629
  201    HZ3  LYS  26           HZ3      LYS  26  -5.905   0.521  -2.241
  202    H    TYR  27           H        TYR  27   0.400   2.922  -3.049
  203    HA   TYR  27           HA       TYR  27   1.360   0.240  -3.524
  204    HB2  TYR  27           HB2      TYR  27   2.702   0.501  -5.462
  205    HB3  TYR  27           HB1      TYR  27   1.085   0.988  -5.866
  206    HD1  TYR  27           HD1      TYR  27   0.830   3.099  -7.076
  207    HD2  TYR  27           HD2      TYR  27   4.445   2.346  -4.947
  208    HE1  TYR  27           HE1      TYR  27   1.844   5.063  -8.081
  209    HE2  TYR  27           HE2      TYR  27   5.456   4.332  -5.956
  210    HH   TYR  27           HH       TYR  27   3.640   6.627  -7.733
  211    H    CYS  28           H        CYS  28   3.559  -0.088  -3.458
  212    HA   CYS  28           HA       CYS  28   4.640   1.341  -1.219
  213    HB2  CYS  28           HB2      CYS  28   5.801  -0.927  -2.840
  214    HB3  CYS  28           HB1      CYS  28   6.436  -0.325  -1.312
  215    H    ALA  29           H        ALA  29   5.916   2.973  -1.329
  216    HA   ALA  29           HA       ALA  29   7.504   3.430  -3.741
  217    HB1  ALA  29           HB1      ALA  29   7.280   5.803  -3.314
  218    HB2  ALA  29           HB2      ALA  29   6.328   5.478  -1.866
  219    HB3  ALA  29           HB3      ALA  29   5.680   5.074  -3.459
  220    H    TRP  30           H        TRP  30   9.249   5.360  -2.667
  221    HA   TRP  30           HA       TRP  30  10.724   3.578  -0.990
  222    HB2  TRP  30           HB2      TRP  30  11.522   6.238  -2.164
  223    HB3  TRP  30           HB1      TRP  30  12.561   5.295  -1.109
  224    HD1  TRP  30           HD       TRP  30  11.614   5.626  -4.665
  225    HE1  TRP  30           HE1      TRP  30  12.659   3.693  -6.041
  226    HE3  TRP  30           HE3      TRP  30  13.038   2.792  -0.879
  227    HZ2  TRP  30           HZ2      TRP  30  13.951   1.219  -5.497
  228    HZ3  TRP  30           HZ3      TRP  30  14.210   0.595  -1.285
  229    HH2  TRP  30           HH       TRP  30  14.639  -0.152  -3.574
  230    H    ASP  31           H        ASP  31   8.358   5.620  -0.232
  231    HA   ASP  31           HA       ASP  31   8.663   5.458   2.452
  232    HB2  ASP  31           HB2      ASP  31  10.397   7.055   2.300
  233    HB3  ASP  31           HB1      ASP  31   9.442   8.121   1.268
  234    H    PHE  32           H        PHE  32   6.886   6.282   3.413
  235    HA   PHE  32           HA       PHE  32   4.570   6.302   1.672
  236    HB2  PHE  32           HB2      PHE  32   3.270   6.180   3.829
  237    HB3  PHE  32           HB1      PHE  32   4.386   4.855   3.542
  238    HD1  PHE  32           HD1      PHE  32   3.751   7.872   5.562
  239    HD2  PHE  32           HD2      PHE  32   6.276   4.497   4.978
  240    HE1  PHE  32           HE1      PHE  32   4.790   8.269   7.751
  241    HE2  PHE  32           HE2      PHE  32   7.314   4.889   7.169
  242    HZ   PHE  32           HZ       PHE  32   6.572   6.779   8.558
  243    H    THR  33           H        THR  33   6.294   8.627   3.574
  244    HA   THR  33           HA       THR  33   4.348  10.443   4.275
  245    HB   THR  33           HB       THR  33   7.121  11.239   3.467
  246    HG1  THR  33           HG1      THR  33   7.682   9.626   4.622
  247   HG21  THR  33          HG21      THR  33   6.928  12.661   5.459
  248   HG22  THR  33          HG22      THR  33   5.333  11.990   5.788
  249   HG23  THR  33          HG23      THR  33   5.595  12.970   4.345
  250    H    PHE  34           H        PHE  34   3.358  12.087   3.283
  251    HA   PHE  34           HA       PHE  34   3.723  12.409   0.403
  252    HB2  PHE  34           HB2      PHE  34   1.525  13.356   2.232
  253    HB3  PHE  34           HB1      PHE  34   1.551  13.558   0.486
  254    HD1  PHE  34           HD1      PHE  34   0.564  11.498   3.168
  255    HD2  PHE  34           HD2      PHE  34   1.739  11.415  -0.907
  256    HE1  PHE  34           HE1      PHE  34  -0.475   9.295   2.917
  257    HE2  PHE  34           HE2      PHE  34   0.698   9.215  -1.164
  258    HZ   PHE  34           HZ       PHE  34  -0.412   8.158   0.742
  259    H    THR  35           H        THR  35   3.102  14.790  -0.263
  260    HA   THR  35           HA       THR  35   4.255  16.774   1.474
  261    HB   THR  35           HB       THR  35   6.239  15.880   0.309
  262    HG1  THR  35           HG1      THR  35   6.990  17.829   0.045
  263   HG21  THR  35          HG21      THR  35   4.802  16.662  -2.239
  264   HG22  THR  35          HG22      THR  35   5.158  15.016  -1.716
  265   HG23  THR  35          HG23      THR  35   6.475  16.111  -2.134
  Start of MODEL   14
    1    H1   ASP   1           HT1      ASP   1   7.816 -12.630   1.856
    2    H2   ASP   1           HT2      ASP   1   8.654 -13.521   0.715
    3    H3   ASP   1           HT3      ASP   1   7.114 -12.873   0.340
    4    HA   ASP   1           HA       ASP   1   9.574 -11.351   0.940
    5    HB2  ASP   1           HB2      ASP   1   8.030 -11.719  -1.631
    6    HB3  ASP   1           HB1      ASP   1   9.252 -10.484  -1.400
    7    H    CYS   2           H        CYS   2   9.314  -9.092   0.622
    8    HA   CYS   2           HA       CYS   2   6.689  -8.093   1.423
    9    HB2  CYS   2           HB2      CYS   2   7.989  -6.000   1.568
   10    HB3  CYS   2           HB1      CYS   2   8.471  -7.244   2.705
   11    H    ARG   3           H        ARG   3   6.107  -6.088   0.373
   12    HA   ARG   3           HA       ARG   3   6.228  -6.584  -2.479
   13    HB2  ARG   3           HB2      ARG   3   4.018  -6.286  -1.346
   14    HB3  ARG   3           HB1      ARG   3   4.484  -4.641  -0.944
   15    HG2  ARG   3           HG2      ARG   3   2.990  -4.713  -2.852
   16    HG3  ARG   3           HG1      ARG   3   4.574  -4.073  -3.287
   17    HD2  ARG   3           HD2      ARG   3   3.775  -5.615  -5.014
   18    HD3  ARG   3           HD1      ARG   3   5.198  -6.259  -4.209
   19    HE   ARG   3           HE       ARG   3   3.098  -7.371  -2.888
   20   HH11  ARG   3          HH11      ARG   3   4.121  -7.243  -6.292
   21   HH12  ARG   3          HH12      ARG   3   3.458  -8.744  -6.705
   22   HH21  ARG   3          HH21      ARG   3   2.128  -9.445  -3.474
   23   HH22  ARG   3          HH22      ARG   3   2.273 -10.016  -5.064
   24    H    TYR   4           H        TYR   4   7.483  -5.390  -3.821
   25    HA   TYR   4           HA       TYR   4   9.054  -3.337  -2.663
   26    HB2  TYR   4           HB2      TYR   4   9.087  -4.784  -5.297
   27    HB3  TYR   4           HB1      TYR   4  10.248  -3.579  -4.797
   28    HD1  TYR   4           HD1      TYR   4   9.326  -7.052  -4.652
   29    HD2  TYR   4           HD2      TYR   4  11.722  -4.090  -2.718
   30    HE1  TYR   4           HE1      TYR   4  10.676  -8.812  -3.610
   31    HE2  TYR   4           HE2      TYR   4  13.060  -5.830  -1.706
   32    HH   TYR   4           HH       TYR   4  12.923  -9.076  -2.698
   33    H    MET   5           H        MET   5   9.579  -1.871  -4.988
   34    HA   MET   5           HA       MET   5   7.546   0.071  -4.705
   35    HB2  MET   5           HB2      MET   5  10.057   0.407  -5.325
   36    HB3  MET   5           HB1      MET   5   9.506   0.119  -6.967
   37    HG2  MET   5           HG2      MET   5   7.952   1.968  -6.788
   38    HG3  MET   5           HG1      MET   5   8.466   2.238  -5.125
   39    HE1  MET   5           HE1      MET   5   8.412   4.657  -6.907
   40    HE2  MET   5           HE2      MET   5  10.033   5.344  -6.714
   41    HE3  MET   5           HE3      MET   5   9.195   4.677  -5.318
   42    H    PHE   6           H        PHE   6   5.943   0.704  -5.882
   43    HA   PHE   6           HA       PHE   6   4.315   0.821  -7.395
   44    HB2  PHE   6           HB2      PHE   6   6.076  -0.823  -9.235
   45    HB3  PHE   6           HB1      PHE   6   4.591  -0.001  -9.711
   46    HD1  PHE   6           HD1      PHE   6   4.512   2.541  -9.374
   47    HD2  PHE   6           HD2      PHE   6   8.096   0.271  -9.325
   48    HE1  PHE   6           HE1      PHE   6   5.812   4.590  -9.801
   49    HE2  PHE   6           HE2      PHE   6   9.402   2.281  -9.731
   50    HZ   PHE   6           HZ       PHE   6   8.264   4.468  -9.984
   51    H    GLY   7           H        GLY   7   5.023  -1.648  -5.669
   52    HA2  GLY   7           HA2      GLY   7   3.002  -3.446  -6.721
   53    HA3  GLY   7           HA1      GLY   7   4.062  -3.713  -5.330
   54    H    ASP   8           H        ASP   8   1.133  -3.861  -5.617
   55    HA   ASP   8           HA       ASP   8  -0.126  -1.644  -4.397
   56    HB2  ASP   8           HB2      ASP   8  -1.400  -2.998  -5.665
   57    HB3  ASP   8           HB1      ASP   8  -0.970  -4.486  -4.805
   58    H    CYS   9           H        CYS   9  -0.853  -1.273  -2.409
   59    HA   CYS   9           HA       CYS   9  -0.107  -3.093  -0.294
   60    HB2  CYS   9           HB2      CYS   9   1.339  -1.537   0.826
   61    HB3  CYS   9           HB1      CYS   9   1.811  -1.747  -0.874
   62    H    GLU  10           H        GLU  10  -1.213  -2.707   1.620
   63    HA   GLU  10           HA       GLU  10  -3.283  -0.634   1.489
   64    HB2  GLU  10           HB2      GLU  10  -3.202  -3.248   2.987
   65    HB3  GLU  10           HB1      GLU  10  -4.469  -2.043   3.154
   66    HG2  GLU  10           HG2      GLU  10  -5.121  -2.342   0.862
   67    HG3  GLU  10           HG1      GLU  10  -3.771  -3.443   0.586
   68    H    LYS  11           H        LYS  11  -0.736  -2.178   3.346
   69    HA   LYS  11           HA       LYS  11  -0.696   0.103   5.112
   70    HB2  LYS  11           HB2      LYS  11  -0.007  -1.606   6.901
   71    HB3  LYS  11           HB1      LYS  11  -1.717  -1.441   6.540
   72    HG2  LYS  11           HG2      LYS  11  -1.568  -3.465   5.119
   73    HG3  LYS  11           HG1      LYS  11   0.137  -3.613   5.538
   74    HD2  LYS  11           HD2      LYS  11  -0.390  -4.018   7.833
   75    HD3  LYS  11           HD1      LYS  11  -2.081  -3.595   7.576
   76    HE2  LYS  11           HE2      LYS  11  -1.802  -6.017   7.744
   77    HE3  LYS  11           HE1      LYS  11  -2.362  -5.553   6.144
   78    HZ1  LYS  11           HZ1      LYS  11   0.430  -6.292   6.867
   79    HZ2  LYS  11           HZ2      LYS  11  -0.094  -5.868   5.299
   80    HZ3  LYS  11           HZ3      LYS  11  -0.683  -7.235   6.054
   81    H    ASP  12           H        ASP  12   1.396   0.234   6.183
   82    HA   ASP  12           HA       ASP  12   3.476   0.158   4.268
   83    HB2  ASP  12           HB2      ASP  12   3.478   0.723   7.212
   84    HB3  ASP  12           HB1      ASP  12   4.970   0.657   6.283
   85    H    GLU  13           H        GLU  13   2.330  -2.152   6.356
   86    HA   GLU  13           HA       GLU  13   4.724  -3.621   6.917
   87    HB2  GLU  13           HB2      GLU  13   1.885  -4.491   6.861
   88    HB3  GLU  13           HB1      GLU  13   3.208  -5.404   7.557
   89    HG2  GLU  13           HG2      GLU  13   3.634  -3.526   9.126
   90    HG3  GLU  13           HG1      GLU  13   2.196  -2.739   8.489
   91    H    ASP  14           H        ASP  14   2.579  -3.384   4.292
   92    HA   ASP  14           HA       ASP  14   3.101  -5.976   3.251
   93    HB2  ASP  14           HB2      ASP  14   1.925  -3.587   1.782
   94    HB3  ASP  14           HB1      ASP  14   1.888  -5.293   1.334
   95    H    CYS  15           H        CYS  15   4.475  -2.825   3.049
   96    HA   CYS  15           HA       CYS  15   6.109  -3.526   0.762
   97    HB2  CYS  15           HB2      CYS  15   6.259  -1.004   2.388
   98    HB3  CYS  15           HB1      CYS  15   6.811  -1.284   0.759
   99    H    CYS  16           H        CYS  16   8.315  -3.496   0.857
  100    HA   CYS  16           HA       CYS  16   9.670  -4.677   2.953
  101    HB2  CYS  16           HB2      CYS  16  10.864  -2.941   0.825
  102    HB3  CYS  16           HB1      CYS  16  11.616  -4.277   1.623
  103    H    LYS  17           H        LYS  17  11.836  -3.624   3.686
  104    HA   LYS  17           HA       LYS  17  11.248  -1.748   5.765
  105    HB2  LYS  17           HB2      LYS  17  13.963  -2.498   4.692
  106    HB3  LYS  17           HB1      LYS  17  13.595  -1.847   6.277
  107    HG2  LYS  17           HG2      LYS  17  12.388  -3.825   6.798
  108    HG3  LYS  17           HG1      LYS  17  12.758  -4.513   5.226
  109    HD2  LYS  17           HD2      LYS  17  15.186  -4.322   5.711
  110    HD3  LYS  17           HD1      LYS  17  14.794  -3.746   7.330
  111    HE2  LYS  17           HE2      LYS  17  15.381  -6.127   7.316
  112    HE3  LYS  17           HE1      LYS  17  13.727  -5.868   7.854
  113    HZ1  LYS  17           HZ1      LYS  17  14.532  -6.702   5.112
  114    HZ2  LYS  17           HZ2      LYS  17  12.945  -6.535   5.660
  115    HZ3  LYS  17           HZ3      LYS  17  13.932  -7.726   6.304
  116    H    HIS  18           H        HIS  18  13.133  -1.677   2.943
  117    HA   HIS  18           HA       HIS  18  14.015   1.041   3.028
  118    HB2  HIS  18           HB2      HIS  18  13.949  -0.916   0.723
  119    HB3  HIS  18           HB1      HIS  18  14.613   0.698   0.597
  120    HD1  HIS  18           HD1      HIS  18  17.022  -0.012   0.194
  121    HD2  HIS  18           HD2      HIS  18  15.407  -1.645   3.649
  122    HE1  HIS  18           HE1      HIS  18  18.922  -1.109   1.390
  123    H    LEU  19           H        LEU  19  10.924   0.046   2.555
  124    HA   LEU  19           HA       LEU  19  10.332   2.332   0.824
  125    HB2  LEU  19           HB2      LEU  19   9.200  -0.451   0.595
  126    HB3  LEU  19           HB1      LEU  19   8.509   0.942  -0.194
  127    HG   LEU  19           HG       LEU  19  10.955   1.111  -1.223
  128   HD11  LEU  19          HD11      LEU  19  11.939  -1.020  -1.690
  129   HD12  LEU  19          HD12      LEU  19  10.667  -1.833  -0.798
  130   HD13  LEU  19          HD13      LEU  19  11.824  -0.804   0.065
  131   HD21  LEU  19          HD21      LEU  19   8.923   0.934  -2.483
  132   HD22  LEU  19          HD22      LEU  19   8.844  -0.799  -2.145
  133   HD23  LEU  19          HD23      LEU  19  10.151  -0.151  -3.134
  134    H    GLY  20           H        GLY  20   7.910   2.626   0.788
  135    HA2  GLY  20           HA2      GLY  20   6.667   2.090   3.351
  136    HA3  GLY  20           HA1      GLY  20   6.871   3.771   2.836
  137    H    CYS  21           H        CYS  21   4.350   2.645   3.187
  138    HA   CYS  21           HA       CYS  21   3.470   1.933   0.492
  139    HB2  CYS  21           HB2      CYS  21   2.649   0.505   2.260
  140    HB3  CYS  21           HB1      CYS  21   2.024   1.881   3.154
  141    H    LYS  22           H        LYS  22   2.762   3.488  -0.836
  142    HA   LYS  22           HA       LYS  22   1.887   5.993   0.304
  143    HB2  LYS  22           HB2      LYS  22   2.079   5.064  -2.556
  144    HB3  LYS  22           HB1      LYS  22   1.456   6.635  -2.073
  145    HG2  LYS  22           HG2      LYS  22   4.103   5.586  -1.390
  146    HG3  LYS  22           HG1      LYS  22   3.803   6.617  -2.822
  147    HD2  LYS  22           HD2      LYS  22   3.042   8.395  -1.307
  148    HD3  LYS  22           HD1      LYS  22   3.320   7.346   0.082
  149    HE2  LYS  22           HE2      LYS  22   5.684   7.264  -0.409
  150    HE3  LYS  22           HE1      LYS  22   5.441   8.239  -1.855
  151    HZ1  LYS  22           HZ1      LYS  22   4.836  10.090  -0.531
  152    HZ2  LYS  22           HZ2      LYS  22   6.261   9.427   0.166
  153    HZ3  LYS  22           HZ3      LYS  22   4.752   9.135   0.861
  154    H    ARG  23           H        ARG  23   0.051   6.068   1.042
  155    HA   ARG  23           HA       ARG  23  -1.910   4.088   0.355
  156    HB2  ARG  23           HB2      ARG  23  -2.316   6.427   2.233
  157    HB3  ARG  23           HB1      ARG  23  -3.259   4.954   2.157
  158    HG2  ARG  23           HG2      ARG  23  -1.993   4.551   4.045
  159    HG3  ARG  23           HG1      ARG  23  -0.957   3.836   2.806
  160    HD2  ARG  23           HD2      ARG  23   0.413   5.833   2.736
  161    HD3  ARG  23           HD1      ARG  23  -0.666   6.650   3.865
  162    HE   ARG  23           HE       ARG  23   0.972   4.306   4.491
  163   HH11  ARG  23          HH11      ARG  23  -0.441   7.408   5.418
  164   HH12  ARG  23          HH12      ARG  23   0.444   7.531   6.873
  165   HH21  ARG  23          HH21      ARG  23   2.224   4.519   6.462
  166   HH22  ARG  23          HH22      ARG  23   1.954   5.884   7.473
  167    H    LYS  24           H        LYS  24  -0.912   6.930  -0.862
  168    HA   LYS  24           HA       LYS  24  -3.553   7.927  -1.645
  169    HB2  LYS  24           HB2      LYS  24  -0.784   8.961  -2.266
  170    HB3  LYS  24           HB1      LYS  24  -2.282   9.737  -2.743
  171    HG2  LYS  24           HG2      LYS  24  -1.379   9.289   0.093
  172    HG3  LYS  24           HG1      LYS  24  -1.236  10.801  -0.805
  173    HD2  LYS  24           HD2      LYS  24  -3.689  10.861  -1.017
  174    HD3  LYS  24           HD1      LYS  24  -3.793   9.378  -0.065
  175    HE2  LYS  24           HE2      LYS  24  -4.200  11.340   1.329
  176    HE3  LYS  24           HE1      LYS  24  -2.724  10.507   1.817
  177    HZ1  LYS  24           HZ1      LYS  24  -2.871  12.980   0.170
  178    HZ2  LYS  24           HZ2      LYS  24  -1.452  12.173   0.550
  179    HZ3  LYS  24           HZ3      LYS  24  -2.360  12.880   1.762
  180    H    MET  25           H        MET  25  -0.914   6.097  -2.745
  181    HA   MET  25           HA       MET  25  -1.817   6.296  -5.536
  182    HB2  MET  25           HB2      MET  25   0.891   5.432  -4.507
  183    HB3  MET  25           HB1      MET  25   0.402   5.656  -6.154
  184    HG2  MET  25           HG2      MET  25   0.550   7.854  -4.114
  185    HG3  MET  25           HG1      MET  25   1.760   7.516  -5.346
  186    HE1  MET  25           HE1      MET  25  -0.128   6.800  -7.894
  187    HE2  MET  25           HE2      MET  25   1.335   7.779  -7.928
  188    HE3  MET  25           HE3      MET  25  -0.153   8.399  -8.642
  189    H    LYS  26           H        LYS  26  -1.400   4.273  -2.841
  190    HA   LYS  26           HA       LYS  26  -1.974   2.218  -2.307
  191    HB2  LYS  26           HB2      LYS  26  -3.090   1.936  -5.100
  192    HB3  LYS  26           HB1      LYS  26  -3.343   0.816  -3.777
  193    HG2  LYS  26           HG2      LYS  26  -4.332   3.649  -3.955
  194    HG3  LYS  26           HG1      LYS  26  -5.297   2.171  -3.904
  195    HD2  LYS  26           HD2      LYS  26  -4.324   1.706  -1.658
  196    HD3  LYS  26           HD1      LYS  26  -3.537   3.275  -1.751
  197    HE2  LYS  26           HE2      LYS  26  -5.729   4.366  -1.943
  198    HE3  LYS  26           HE1      LYS  26  -6.516   2.791  -1.813
  199    HZ1  LYS  26           HZ1      LYS  26  -6.497   3.902   0.320
  200    HZ2  LYS  26           HZ2      LYS  26  -4.842   4.108   0.232
  201    HZ3  LYS  26           HZ3      LYS  26  -5.471   2.549   0.395
  202    H    TYR  27           H        TYR  27   0.479   2.881  -3.256
  203    HA   TYR  27           HA       TYR  27   1.407   0.208  -3.678
  204    HB2  TYR  27           HB2      TYR  27   2.876   0.566  -5.585
  205    HB3  TYR  27           HB1      TYR  27   1.208   0.783  -6.036
  206    HD1  TYR  27           HD1      TYR  27   4.380   2.557  -5.287
  207    HD2  TYR  27           HD2      TYR  27   0.537   2.828  -7.075
  208    HE1  TYR  27           HE1      TYR  27   5.033   4.674  -6.338
  209    HE2  TYR  27           HE2      TYR  27   1.177   4.955  -8.117
  210    HH   TYR  27           HH       TYR  27   4.371   6.027  -8.280
  211    H    CYS  28           H        CYS  28   3.594  -0.092  -3.514
  212    HA   CYS  28           HA       CYS  28   4.650   1.448  -1.342
  213    HB2  CYS  28           HB2      CYS  28   5.965  -0.804  -2.875
  214    HB3  CYS  28           HB1      CYS  28   6.443  -0.178  -1.306
  215    H    ALA  29           H        ALA  29   6.079   2.996  -1.404
  216    HA   ALA  29           HA       ALA  29   7.621   3.518  -3.853
  217    HB1  ALA  29           HB1      ALA  29   7.467   5.916  -3.271
  218    HB2  ALA  29           HB2      ALA  29   6.418   5.509  -1.916
  219    HB3  ALA  29           HB3      ALA  29   5.875   5.222  -3.570
  220    H    TRP  30           H        TRP  30   9.509   5.259  -2.882
  221    HA   TRP  30           HA       TRP  30  10.964   3.474  -1.189
  222    HB2  TRP  30           HB2      TRP  30  11.740   6.147  -2.314
  223    HB3  TRP  30           HB1      TRP  30  12.791   5.168  -1.317
  224    HD1  TRP  30           HD       TRP  30  11.877   5.745  -4.745
  225    HE1  TRP  30           HE1      TRP  30  12.925   3.909  -6.289
  226    HE3  TRP  30           HE3      TRP  30  13.093   2.565  -1.218
  227    HZ2  TRP  30           HZ2      TRP  30  14.110   1.332  -5.924
  228    HZ3  TRP  30           HZ3      TRP  30  14.196   0.353  -1.766
  229    HH2  TRP  30           HH       TRP  30  14.679  -0.222  -4.086
  230    H    ASP  31           H        ASP  31   8.613   5.387  -0.265
  231    HA   ASP  31           HA       ASP  31   9.393   5.601   2.379
  232    HB2  ASP  31           HB2      ASP  31   9.438   7.976   2.608
  233    HB3  ASP  31           HB1      ASP  31  10.556   7.514   1.325
  234    H    PHE  32           H        PHE  32   7.603   6.898   3.345
  235    HA   PHE  32           HA       PHE  32   5.122   6.363   1.889
  236    HB2  PHE  32           HB2      PHE  32   3.960   5.817   4.011
  237    HB3  PHE  32           HB1      PHE  32   5.244   4.692   3.641
  238    HD1  PHE  32           HD1      PHE  32   7.553   5.234   4.859
  239    HD2  PHE  32           HD2      PHE  32   3.748   6.635   6.120
  240    HE1  PHE  32           HE1      PHE  32   8.423   5.555   7.141
  241    HE2  PHE  32           HE2      PHE  32   4.612   6.971   8.386
  242    HZ   PHE  32           HZ       PHE  32   6.954   6.432   8.902
  243    H    THR  33           H        THR  33   6.500   8.454   4.424
  244    HA   THR  33           HA       THR  33   4.439  10.396   3.656
  245    HB   THR  33           HB       THR  33   4.874  11.341   5.999
  246    HG1  THR  33           HG1      THR  33   6.776   9.940   6.317
  247   HG21  THR  33          HG21      THR  33   3.555   8.636   5.673
  248   HG22  THR  33          HG22      THR  33   2.790  10.197   5.388
  249   HG23  THR  33          HG23      THR  33   3.286   9.740   7.019
  250    H    PHE  34           H        PHE  34   7.577   9.885   3.072
  251    HA   PHE  34           HA       PHE  34   8.603  12.446   3.885
  252    HB2  PHE  34           HB2      PHE  34  10.087  10.455   3.805
  253    HB3  PHE  34           HB1      PHE  34   9.853  10.367   2.064
  254    HD1  PHE  34           HD1      PHE  34  11.279  11.546   0.631
  255    HD2  PHE  34           HD2      PHE  34  11.156  12.555   4.761
  256    HE1  PHE  34           HE1      PHE  34  13.201  13.046   0.317
  257    HE2  PHE  34           HE2      PHE  34  13.081  14.055   4.456
  258    HZ   PHE  34           HZ       PHE  34  14.105  14.301   2.230
  259    H    THR  35           H        THR  35   7.889  10.910   0.792
  260    HA   THR  35           HA       THR  35   7.990  13.527  -0.498
  261    HB   THR  35           HB       THR  35   7.589  12.194  -2.611
  262    HG1  THR  35           HG1      THR  35   8.280   9.876  -1.166
  263   HG21  THR  35          HG21      THR  35   9.857  11.253  -2.681
  264   HG22  THR  35          HG22      THR  35   9.959  11.386  -0.927
  265   HG23  THR  35          HG23      THR  35   9.854  12.845  -1.916
  Start of MODEL   15
    1    H1   ASP   1           HT1      ASP   1   5.898 -12.391   1.348
    2    H2   ASP   1           HT2      ASP   1   6.864 -12.141   2.685
    3    H3   ASP   1           HT3      ASP   1   7.234 -13.389   1.601
    4    HA   ASP   1           HA       ASP   1   8.696 -11.474   1.313
    5    HB2  ASP   1           HB2      ASP   1   6.697 -11.856  -0.943
    6    HB3  ASP   1           HB1      ASP   1   8.273 -11.096  -1.117
    7    H    CYS   2           H        CYS   2   8.587  -9.161   0.089
    8    HA   CYS   2           HA       CYS   2   6.240  -7.768   1.106
    9    HB2  CYS   2           HB2      CYS   2   7.760  -5.899   1.322
   10    HB3  CYS   2           HB1      CYS   2   7.993  -7.142   2.539
   11    H    ARG   3           H        ARG   3   5.840  -5.871   0.034
   12    HA   ARG   3           HA       ARG   3   6.259  -6.199  -2.816
   13    HB2  ARG   3           HB2      ARG   3   4.567  -4.254  -1.282
   14    HB3  ARG   3           HB1      ARG   3   4.848  -4.062  -2.992
   15    HG2  ARG   3           HG2      ARG   3   2.785  -5.120  -2.882
   16    HG3  ARG   3           HG1      ARG   3   3.892  -6.458  -3.176
   17    HD2  ARG   3           HD2      ARG   3   3.908  -6.932  -0.766
   18    HD3  ARG   3           HD1      ARG   3   2.783  -5.573  -0.562
   19    HE   ARG   3           HE       ARG   3   1.705  -7.277  -2.431
   20   HH11  ARG   3          HH11      ARG   3   2.424  -7.397   1.050
   21   HH12  ARG   3          HH12      ARG   3   1.119  -8.403   1.434
   22   HH21  ARG   3          HH21      ARG   3  -0.040  -8.680  -1.941
   23   HH22  ARG   3          HH22      ARG   3  -0.324  -9.207  -0.349
   24    H    TYR   4           H        TYR   4   7.633  -5.109  -4.037
   25    HA   TYR   4           HA       TYR   4   9.270  -3.176  -2.767
   26    HB2  TYR   4           HB2      TYR   4   9.330  -4.627  -5.411
   27    HB3  TYR   4           HB1      TYR   4  10.480  -3.392  -4.930
   28    HD1  TYR   4           HD1      TYR   4  11.812  -3.800  -2.717
   29    HD2  TYR   4           HD2      TYR   4   9.701  -6.871  -4.811
   30    HE1  TYR   4           HE1      TYR   4  13.133  -5.476  -1.586
   31    HE2  TYR   4           HE2      TYR   4  11.044  -8.564  -3.633
   32    HH   TYR   4           HH       TYR   4  13.010  -7.705  -0.951
   33    H    MET   5           H        MET   5   9.759  -1.724  -5.221
   34    HA   MET   5           HA       MET   5   7.704   0.179  -4.761
   35    HB2  MET   5           HB2      MET   5  10.190   0.557  -5.502
   36    HB3  MET   5           HB1      MET   5   9.551   0.293  -7.109
   37    HG2  MET   5           HG2      MET   5   7.965   2.130  -6.760
   38    HG3  MET   5           HG1      MET   5   8.666   2.380  -5.161
   39    HE1  MET   5           HE1      MET   5   9.509   4.747  -5.288
   40    HE2  MET   5           HE2      MET   5   8.463   4.850  -6.713
   41    HE3  MET   5           HE3      MET   5  10.111   5.507  -6.759
   42    H    PHE   6           H        PHE   6   5.982   0.652  -5.797
   43    HA   PHE   6           HA       PHE   6   4.236   0.614  -7.163
   44    HB2  PHE   6           HB2      PHE   6   5.990  -0.858  -9.153
   45    HB3  PHE   6           HB1      PHE   6   4.378  -0.242  -9.504
   46    HD1  PHE   6           HD1      PHE   6   3.978   2.191  -9.593
   47    HD2  PHE   6           HD2      PHE   6   7.871   0.582  -9.043
   48    HE1  PHE   6           HE1      PHE   6   4.959   4.369 -10.175
   49    HE2  PHE   6           HE2      PHE   6   8.862   2.728  -9.603
   50    HZ   PHE   6           HZ       PHE   6   7.406   4.649 -10.187
   51    H    GLY   7           H        GLY   7   5.347  -1.864  -5.522
   52    HA2  GLY   7           HA2      GLY   7   3.451  -3.879  -6.307
   53    HA3  GLY   7           HA1      GLY   7   4.390  -3.855  -4.820
   54    H    ASP   8           H        ASP   8   1.606  -4.457  -4.798
   55    HA   ASP   8           HA       ASP   8   0.258  -1.925  -4.247
   56    HB2  ASP   8           HB2      ASP   8  -0.780  -3.466  -5.619
   57    HB3  ASP   8           HB1      ASP   8  -0.854  -4.737  -4.390
   58    H    CYS   9           H        CYS   9  -0.570  -1.377  -2.355
   59    HA   CYS   9           HA       CYS   9  -0.001  -3.146  -0.146
   60    HB2  CYS   9           HB2      CYS   9   1.307  -1.466   1.002
   61    HB3  CYS   9           HB1      CYS   9   1.919  -1.854  -0.625
   62    H    GLU  10           H        GLU  10  -1.247  -2.747   1.638
   63    HA   GLU  10           HA       GLU  10  -3.353  -0.734   1.323
   64    HB2  GLU  10           HB2      GLU  10  -3.285  -3.213   3.040
   65    HB3  GLU  10           HB1      GLU  10  -4.669  -2.164   2.768
   66    HG2  GLU  10           HG2      GLU  10  -4.799  -2.818   0.460
   67    HG3  GLU  10           HG1      GLU  10  -3.304  -3.739   0.598
   68    H    LYS  11           H        LYS  11  -0.780  -2.068   3.270
   69    HA   LYS  11           HA       LYS  11  -0.763   0.297   4.908
   70    HB2  LYS  11           HB2      LYS  11  -0.122  -1.304   6.834
   71    HB3  LYS  11           HB1      LYS  11  -1.825  -1.148   6.436
   72    HG2  LYS  11           HG2      LYS  11  -1.680  -3.231   5.127
   73    HG3  LYS  11           HG1      LYS  11   0.012  -3.387   5.590
   74    HD2  LYS  11           HD2      LYS  11  -0.576  -3.642   7.892
   75    HD3  LYS  11           HD1      LYS  11  -2.259  -3.236   7.556
   76    HE2  LYS  11           HE2      LYS  11  -1.920  -5.654   7.887
   77    HE3  LYS  11           HE1      LYS  11  -2.540  -5.285   6.289
   78    HZ1  LYS  11           HZ1      LYS  11  -0.841  -6.935   6.195
   79    HZ2  LYS  11           HZ2      LYS  11   0.274  -5.963   6.977
   80    HZ3  LYS  11           HZ3      LYS  11  -0.267  -5.566   5.412
   81    H    ASP  12           H        ASP  12   1.383   0.302   6.092
   82    HA   ASP  12           HA       ASP  12   3.352   0.242   4.007
   83    HB2  ASP  12           HB2      ASP  12   3.859   0.723   6.944
   84    HB3  ASP  12           HB1      ASP  12   4.902   1.174   5.603
   85    H    GLU  13           H        GLU  13   2.318  -1.949   6.248
   86    HA   GLU  13           HA       GLU  13   4.743  -3.354   6.843
   87    HB2  GLU  13           HB2      GLU  13   1.940  -4.364   6.866
   88    HB3  GLU  13           HB1      GLU  13   3.300  -5.062   7.725
   89    HG2  GLU  13           HG2      GLU  13   3.484  -2.921   9.021
   90    HG3  GLU  13           HG1      GLU  13   1.969  -2.415   8.276
   91    H    ASP  14           H        ASP  14   2.605  -3.213   4.227
   92    HA   ASP  14           HA       ASP  14   3.035  -5.881   3.273
   93    HB2  ASP  14           HB2      ASP  14   1.840  -3.566   1.713
   94    HB3  ASP  14           HB1      ASP  14   1.696  -5.302   1.437
   95    H    CYS  15           H        CYS  15   4.485  -2.808   2.994
   96    HA   CYS  15           HA       CYS  15   5.989  -3.522   0.608
   97    HB2  CYS  15           HB2      CYS  15   6.204  -1.002   2.258
   98    HB3  CYS  15           HB1      CYS  15   6.777  -1.287   0.633
   99    H    CYS  16           H        CYS  16   8.291  -3.399   0.685
  100    HA   CYS  16           HA       CYS  16   9.476  -4.695   2.825
  101    HB2  CYS  16           HB2      CYS  16  10.824  -3.040   0.727
  102    HB3  CYS  16           HB1      CYS  16  11.528  -4.351   1.592
  103    H    LYS  17           H        LYS  17  11.646  -3.672   3.666
  104    HA   LYS  17           HA       LYS  17  10.700  -1.798   5.627
  105    HB2  LYS  17           HB2      LYS  17  13.504  -2.815   5.355
  106    HB3  LYS  17           HB1      LYS  17  12.680  -2.235   6.798
  107    HG2  LYS  17           HG2      LYS  17  11.047  -4.103   6.396
  108    HG3  LYS  17           HG1      LYS  17  12.224  -4.760   5.288
  109    HD2  LYS  17           HD2      LYS  17  12.663  -5.842   7.339
  110    HD3  LYS  17           HD1      LYS  17  13.923  -4.615   7.104
  111    HE2  LYS  17           HE2      LYS  17  12.743  -3.106   8.635
  112    HE3  LYS  17           HE1      LYS  17  11.475  -4.308   8.846
  113    HZ1  LYS  17           HZ1      LYS  17  12.986  -4.394  10.677
  114    HZ2  LYS  17           HZ2      LYS  17  14.313  -4.595   9.640
  115    HZ3  LYS  17           HZ3      LYS  17  13.147  -5.807   9.765
  116    H    HIS  18           H        HIS  18  12.865  -1.838   3.022
  117    HA   HIS  18           HA       HIS  18  13.854   0.861   3.439
  118    HB2  HIS  18           HB2      HIS  18  14.229  -0.938   1.016
  119    HB3  HIS  18           HB1      HIS  18  15.004   0.616   1.250
  120    HD1  HIS  18           HD1      HIS  18  15.978  -2.701   1.375
  121    HD2  HIS  18           HD2      HIS  18  16.310   0.422   4.095
  122    HE1  HIS  18           HE1      HIS  18  17.904  -3.290   2.897
  123    H    LEU  19           H        LEU  19  10.920  -0.026   2.636
  124    HA   LEU  19           HA       LEU  19  10.509   2.232   0.832
  125    HB2  LEU  19           HB2      LEU  19   9.368  -0.539   0.545
  126    HB3  LEU  19           HB1      LEU  19   8.648   0.847  -0.231
  127    HG   LEU  19           HG       LEU  19  11.174   1.046  -1.165
  128   HD11  LEU  19          HD11      LEU  19  11.949  -0.978  -0.040
  129   HD12  LEU  19          HD12      LEU  19  12.005  -1.097  -1.806
  130   HD13  LEU  19          HD13      LEU  19  10.715  -1.900  -0.922
  131   HD21  LEU  19          HD21      LEU  19  10.364  -0.015  -3.196
  132   HD22  LEU  19          HD22      LEU  19   9.176   1.084  -2.494
  133   HD23  LEU  19          HD23      LEU  19   8.988  -0.660  -2.302
  134    H    GLY  20           H        GLY  20   8.009   2.491   0.645
  135    HA2  GLY  20           HA2      GLY  20   6.688   2.033   3.193
  136    HA3  GLY  20           HA1      GLY  20   6.937   3.703   2.657
  137    H    CYS  21           H        CYS  21   4.348   2.690   2.991
  138    HA   CYS  21           HA       CYS  21   3.503   1.993   0.307
  139    HB2  CYS  21           HB2      CYS  21   2.662   0.597   2.097
  140    HB3  CYS  21           HB1      CYS  21   2.049   1.992   2.976
  141    H    LYS  22           H        LYS  22   2.872   3.638  -0.996
  142    HA   LYS  22           HA       LYS  22   2.092   6.124   0.238
  143    HB2  LYS  22           HB2      LYS  22   2.171   5.269  -2.655
  144    HB3  LYS  22           HB1      LYS  22   1.562   6.830  -2.134
  145    HG2  LYS  22           HG2      LYS  22   4.211   5.735  -1.584
  146    HG3  LYS  22           HG1      LYS  22   3.879   6.869  -2.933
  147    HD2  LYS  22           HD2      LYS  22   3.213   8.560  -1.240
  148    HD3  LYS  22           HD1      LYS  22   3.559   7.412   0.051
  149    HE2  LYS  22           HE2      LYS  22   5.911   7.358  -0.649
  150    HE3  LYS  22           HE1      LYS  22   5.552   8.540  -1.905
  151    HZ1  LYS  22           HZ1      LYS  22   5.107   9.040   0.986
  152    HZ2  LYS  22           HZ2      LYS  22   5.079  10.181  -0.252
  153    HZ3  LYS  22           HZ3      LYS  22   6.528   9.430   0.194
  154    H    ARG  23           H        ARG  23   0.325   6.213   1.096
  155    HA   ARG  23           HA       ARG  23  -1.679   4.260   0.562
  156    HB2  ARG  23           HB2      ARG  23  -1.921   6.644   2.410
  157    HB3  ARG  23           HB1      ARG  23  -2.938   5.221   2.402
  158    HG2  ARG  23           HG2      ARG  23  -1.587   4.777   4.227
  159    HG3  ARG  23           HG1      ARG  23  -0.671   3.983   2.950
  160    HD2  ARG  23           HD2      ARG  23   0.825   5.864   2.774
  161    HD3  ARG  23           HD1      ARG  23  -0.156   6.797   3.905
  162    HE   ARG  23           HE       ARG  23   1.356   4.368   4.618
  163   HH11  ARG  23          HH11      ARG  23   0.373   7.694   5.325
  164   HH12  ARG  23          HH12      ARG  23   1.175   7.778   6.821
  165   HH21  ARG  23          HH21      ARG  23   2.403   4.449   6.702
  166   HH22  ARG  23          HH22      ARG  23   2.361   5.882   7.637
  167    H    LYS  24           H        LYS  24  -0.867   6.984  -1.001
  168    HA   LYS  24           HA       LYS  24  -3.623   7.848  -1.482
  169    HB2  LYS  24           HB2      LYS  24  -1.900   9.577  -1.191
  170    HB3  LYS  24           HB1      LYS  24  -1.003   8.892  -2.536
  171    HG2  LYS  24           HG2      LYS  24  -2.696   9.558  -4.089
  172    HG3  LYS  24           HG1      LYS  24  -3.756  10.084  -2.781
  173    HD2  LYS  24           HD2      LYS  24  -2.636  11.995  -3.829
  174    HD3  LYS  24           HD1      LYS  24  -2.136  11.795  -2.150
  175    HE2  LYS  24           HE2      LYS  24  -0.087  10.659  -2.916
  176    HE3  LYS  24           HE1      LYS  24  -0.596  10.906  -4.585
  177    HZ1  LYS  24           HZ1      LYS  24  -0.477  13.295  -4.208
  178    HZ2  LYS  24           HZ2      LYS  24   0.995  12.561  -3.870
  179    HZ3  LYS  24           HZ3      LYS  24  -0.014  13.033  -2.611
  180    H    MET  25           H        MET  25  -1.049   6.090  -2.841
  181    HA   MET  25           HA       MET  25  -2.521   5.790  -5.354
  182    HB2  MET  25           HB2      MET  25   0.412   5.691  -4.771
  183    HB3  MET  25           HB1      MET  25  -0.274   5.117  -6.266
  184    HG2  MET  25           HG2      MET  25  -0.376   7.929  -5.185
  185    HG3  MET  25           HG1      MET  25   0.572   7.360  -6.557
  186    HE1  MET  25           HE1      MET  25  -2.324   6.458  -9.124
  187    HE2  MET  25           HE2      MET  25  -1.639   5.366  -7.924
  188    HE3  MET  25           HE3      MET  25  -0.582   6.432  -8.850
  189    H    LYS  26           H        LYS  26  -1.588   4.227  -2.576
  190    HA   LYS  26           HA       LYS  26  -1.704   2.164  -1.789
  191    HB2  LYS  26           HB2      LYS  26  -3.373   1.639  -4.253
  192    HB3  LYS  26           HB1      LYS  26  -3.226   0.541  -2.886
  193    HG2  LYS  26           HG2      LYS  26  -4.403   3.311  -2.860
  194    HG3  LYS  26           HG1      LYS  26  -5.271   1.782  -2.670
  195    HD2  LYS  26           HD2      LYS  26  -4.014   1.348  -0.599
  196    HD3  LYS  26           HD1      LYS  26  -3.152   2.863  -0.845
  197    HE2  LYS  26           HE2      LYS  26  -4.962   3.093   0.815
  198    HE3  LYS  26           HE1      LYS  26  -5.176   4.139  -0.582
  199    HZ1  LYS  26           HZ1      LYS  26  -7.230   3.094   0.081
  200    HZ2  LYS  26           HZ2      LYS  26  -6.570   1.556  -0.129
  201    HZ3  LYS  26           HZ3      LYS  26  -6.793   2.571  -1.457
  202    H    TYR  27           H        TYR  27   0.489   2.861  -3.075
  203    HA   TYR  27           HA       TYR  27   1.439   0.202  -3.571
  204    HB2  TYR  27           HB2      TYR  27   2.710   0.528  -5.585
  205    HB3  TYR  27           HB1      TYR  27   1.030   0.849  -5.905
  206    HD1  TYR  27           HD1      TYR  27   0.481   2.838  -7.042
  207    HD2  TYR  27           HD2      TYR  27   4.295   2.530  -5.217
  208    HE1  TYR  27           HE1      TYR  27   1.182   4.918  -8.153
  209    HE2  TYR  27           HE2      TYR  27   5.005   4.601  -6.303
  210    HH   TYR  27           HH       TYR  27   4.447   5.918  -8.223
  211    H    CYS  28           H        CYS  28   3.685  -0.029  -3.654
  212    HA   CYS  28           HA       CYS  28   4.727   1.475  -1.442
  213    HB2  CYS  28           HB2      CYS  28   6.033  -0.770  -2.972
  214    HB3  CYS  28           HB1      CYS  28   6.475  -0.160  -1.384
  215    H    ALA  29           H        ALA  29   6.123   2.999  -1.507
  216    HA   ALA  29           HA       ALA  29   7.679   3.520  -3.939
  217    HB1  ALA  29           HB1      ALA  29   5.941   5.241  -3.615
  218    HB2  ALA  29           HB2      ALA  29   7.549   5.910  -3.376
  219    HB3  ALA  29           HB3      ALA  29   6.537   5.534  -1.978
  220    H    TRP  30           H        TRP  30   9.556   5.275  -2.839
  221    HA   TRP  30           HA       TRP  30  10.934   3.360  -1.186
  222    HB2  TRP  30           HB2      TRP  30  11.859   5.978  -2.346
  223    HB3  TRP  30           HB1      TRP  30  12.848   4.963  -1.313
  224    HD1  TRP  30           HD       TRP  30  11.850   5.406  -4.811
  225    HE1  TRP  30           HE1      TRP  30  12.852   3.482  -6.255
  226    HE3  TRP  30           HE3      TRP  30  13.217   2.470  -1.129
  227    HZ2  TRP  30           HZ2      TRP  30  14.088   0.954  -5.777
  228    HZ3  TRP  30           HZ3      TRP  30  14.330   0.238  -1.572
  229    HH2  TRP  30           HH       TRP  30  14.739  -0.479  -3.860
  230    H    ASP  31           H        ASP  31   8.662   5.286  -0.260
  231    HA   ASP  31           HA       ASP  31   9.385   5.363   2.405
  232    HB2  ASP  31           HB2      ASP  31   9.437   7.753   2.753
  233    HB3  ASP  31           HB1      ASP  31  10.650   7.338   1.540
  234    H    PHE  32           H        PHE  32   7.607   6.335   3.473
  235    HA   PHE  32           HA       PHE  32   5.136   6.272   1.904
  236    HB2  PHE  32           HB2      PHE  32   3.918   5.707   4.066
  237    HB3  PHE  32           HB1      PHE  32   4.948   4.449   3.422
  238    HD1  PHE  32           HD1      PHE  32   4.434   6.824   6.161
  239    HD2  PHE  32           HD2      PHE  32   6.936   3.743   4.640
  240    HE1  PHE  32           HE1      PHE  32   5.496   6.586   8.368
  241    HE2  PHE  32           HE2      PHE  32   7.997   3.515   6.830
  242    HZ   PHE  32           HZ       PHE  32   7.279   4.937   8.703
  243    H    THR  33           H        THR  33   6.554   7.778   4.754
  244    HA   THR  33           HA       THR  33   5.499  10.335   3.973
  245    HB   THR  33           HB       THR  33   4.958   9.087   6.700
  246    HG1  THR  33           HG1      THR  33   2.775   9.259   6.117
  247   HG21  THR  33          HG21      THR  33   4.231  11.815   5.622
  248   HG22  THR  33          HG22      THR  33   5.450  11.477   6.851
  249   HG23  THR  33          HG23      THR  33   3.746  11.167   7.189
  250    H    PHE  34           H        PHE  34   7.434  11.295   3.875
  251    HA   PHE  34           HA       PHE  34   9.612  10.447   5.502
  252    HB2  PHE  34           HB2      PHE  34   9.971  11.242   3.193
  253    HB3  PHE  34           HB1      PHE  34   9.399  12.837   3.663
  254    HD1  PHE  34           HD1      PHE  34  10.864  14.412   4.615
  255    HD2  PHE  34           HD2      PHE  34  12.094  10.366   4.208
  256    HE1  PHE  34           HE1      PHE  34  13.161  15.058   5.211
  257    HE2  PHE  34           HE2      PHE  34  14.395  10.998   4.805
  258    HZ   PHE  34           HZ       PHE  34  14.930  13.349   5.308
  259    H    THR  35           H        THR  35   9.367  10.812   7.580
  260    HA   THR  35           HA       THR  35   8.785  13.534   8.484
  261    HB   THR  35           HB       THR  35   8.983  10.969  10.095
  262    HG1  THR  35           HG1      THR  35   6.860  12.277   8.773
  263   HG21  THR  35          HG21      THR  35   7.846  12.266  11.844
  264   HG22  THR  35          HG22      THR  35   7.838  13.682  10.795
  265   HG23  THR  35          HG23      THR  35   9.367  13.041  11.394
  Start of MODEL   16
    1    H1   ASP   1           HT1      ASP   1   6.022 -11.753   3.199
    2    H2   ASP   1           HT2      ASP   1   7.478 -11.012   3.450
    3    H3   ASP   1           HT3      ASP   1   7.447 -12.671   3.129
    4    HA   ASP   1           HA       ASP   1   8.155 -11.411   1.197
    5    HB2  ASP   1           HB2      ASP   1   5.346 -12.509   0.939
    6    HB3  ASP   1           HB1      ASP   1   6.375 -12.090  -0.425
    7    H    CYS   2           H        CYS   2   8.371  -9.303   1.046
    8    HA   CYS   2           HA       CYS   2   6.031  -7.629   1.350
    9    HB2  CYS   2           HB2      CYS   2   7.699  -5.865   1.372
   10    HB3  CYS   2           HB1      CYS   2   7.811  -7.000   2.703
   11    H    ARG   3           H        ARG   3   5.775  -5.925   0.040
   12    HA   ARG   3           HA       ARG   3   6.171  -6.522  -2.780
   13    HB2  ARG   3           HB2      ARG   3   4.545  -4.388  -1.391
   14    HB3  ARG   3           HB1      ARG   3   4.585  -4.640  -3.132
   15    HG2  ARG   3           HG2      ARG   3   3.556  -6.578  -1.063
   16    HG3  ARG   3           HG1      ARG   3   2.581  -5.592  -2.155
   17    HD2  ARG   3           HD2      ARG   3   3.532  -6.762  -4.077
   18    HD3  ARG   3           HD1      ARG   3   4.556  -7.708  -3.000
   19    HE   ARG   3           HE       ARG   3   1.805  -7.946  -2.358
   20   HH11  ARG   3          HH11      ARG   3   4.271  -9.152  -4.640
   21   HH12  ARG   3          HH12      ARG   3   3.532 -10.657  -4.853
   22   HH21  ARG   3          HH21      ARG   3   0.824 -10.056  -2.656
   23   HH22  ARG   3          HH22      ARG   3   1.528 -11.185  -3.721
   24    H    TYR   4           H        TYR   4   7.472  -5.355  -4.096
   25    HA   TYR   4           HA       TYR   4   9.238  -3.546  -2.854
   26    HB2  TYR   4           HB2      TYR   4   9.022  -4.728  -5.599
   27    HB3  TYR   4           HB1      TYR   4  10.249  -3.591  -5.113
   28    HD1  TYR   4           HD1      TYR   4  11.407  -4.310  -2.707
   29    HD2  TYR   4           HD2      TYR   4   9.718  -6.951  -5.607
   30    HE1  TYR   4           HE1      TYR   4  12.808  -6.078  -1.884
   31    HE2  TYR   4           HE2      TYR   4  11.132  -8.767  -4.757
   32    HH   TYR   4           HH       TYR   4  12.821  -8.491  -1.819
   33    H    MET   5           H        MET   5   9.744  -1.871  -5.037
   34    HA   MET   5           HA       MET   5   7.767   0.093  -4.476
   35    HB2  MET   5           HB2      MET   5  10.292   0.435  -5.165
   36    HB3  MET   5           HB1      MET   5   9.649   0.308  -6.793
   37    HG2  MET   5           HG2      MET   5   8.102   2.126  -6.319
   38    HG3  MET   5           HG1      MET   5   8.796   2.257  -4.704
   39    HE1  MET   5           HE1      MET   5   8.536   4.770  -6.239
   40    HE2  MET   5           HE2      MET   5  10.160   5.470  -6.198
   41    HE3  MET   5           HE3      MET   5   9.516   4.679  -4.765
   42    H    PHE   6           H        PHE   6   6.116   0.755  -5.572
   43    HA   PHE   6           HA       PHE   6   4.454   0.904  -7.013
   44    HB2  PHE   6           HB2      PHE   6   6.215  -0.575  -8.984
   45    HB3  PHE   6           HB1      PHE   6   4.657   0.144  -9.386
   46    HD1  PHE   6           HD1      PHE   6   4.387   2.621  -9.210
   47    HD2  PHE   6           HD2      PHE   6   8.160   0.709  -8.865
   48    HE1  PHE   6           HE1      PHE   6   5.510   4.767  -9.616
   49    HE2  PHE   6           HE2      PHE   6   9.293   2.819  -9.253
   50    HZ   PHE   6           HZ       PHE   6   7.967   4.883  -9.646
   51    H    GLY   7           H        GLY   7   5.258  -1.642  -5.390
   52    HA2  GLY   7           HA2      GLY   7   3.275  -3.477  -6.434
   53    HA3  GLY   7           HA1      GLY   7   4.261  -3.690  -4.985
   54    H    ASP   8           H        ASP   8   1.343  -3.919  -5.436
   55    HA   ASP   8           HA       ASP   8  -0.114  -1.761  -4.381
   56    HB2  ASP   8           HB2      ASP   8  -1.078  -3.455  -5.579
   57    HB3  ASP   8           HB1      ASP   8  -0.699  -4.711  -4.391
   58    H    CYS   9           H        CYS   9  -0.845  -1.256  -2.390
   59    HA   CYS   9           HA       CYS   9  -0.034  -2.939  -0.151
   60    HB2  CYS   9           HB2      CYS   9   1.426  -1.346   0.879
   61    HB3  CYS   9           HB1      CYS   9   1.862  -1.612  -0.824
   62    H    GLU  10           H        GLU  10  -1.088  -2.548   1.794
   63    HA   GLU  10           HA       GLU  10  -3.193  -0.485   1.823
   64    HB2  GLU  10           HB2      GLU  10  -2.863  -3.093   3.291
   65    HB3  GLU  10           HB1      GLU  10  -3.857  -1.826   3.969
   66    HG2  GLU  10           HG2      GLU  10  -5.193  -3.478   2.820
   67    HG3  GLU  10           HG1      GLU  10  -5.305  -1.916   2.024
   68    H    LYS  11           H        LYS  11  -0.422  -1.846   3.493
   69    HA   LYS  11           HA       LYS  11  -0.291   0.502   5.191
   70    HB2  LYS  11           HB2      LYS  11   0.117  -0.872   7.105
   71    HB3  LYS  11           HB1      LYS  11  -1.408  -1.322   6.407
   72    HG2  LYS  11           HG2      LYS  11   0.075  -3.138   5.177
   73    HG3  LYS  11           HG1      LYS  11   1.151  -2.815   6.531
   74    HD2  LYS  11           HD2      LYS  11  -0.167  -4.638   7.184
   75    HD3  LYS  11           HD1      LYS  11  -0.823  -3.238   8.036
   76    HE2  LYS  11           HE2      LYS  11  -2.633  -4.588   7.116
   77    HE3  LYS  11           HE1      LYS  11  -2.573  -3.025   6.306
   78    HZ1  LYS  11           HZ1      LYS  11  -2.870  -4.770   4.692
   79    HZ2  LYS  11           HZ2      LYS  11  -1.558  -5.609   5.268
   80    HZ3  LYS  11           HZ3      LYS  11  -1.313  -4.161   4.453
   81    H    ASP  12           H        ASP  12   1.919   0.151   6.372
   82    HA   ASP  12           HA       ASP  12   3.828   0.180   4.182
   83    HB2  ASP  12           HB2      ASP  12   4.356   0.550   7.135
   84    HB3  ASP  12           HB1      ASP  12   5.570   0.729   5.876
   85    H    GLU  13           H        GLU  13   2.759  -2.072   6.336
   86    HA   GLU  13           HA       GLU  13   5.047  -3.790   6.568
   87    HB2  GLU  13           HB2      GLU  13   2.172  -4.481   6.758
   88    HB3  GLU  13           HB1      GLU  13   3.494  -5.441   7.362
   89    HG2  GLU  13           HG2      GLU  13   2.740  -2.699   8.404
   90    HG3  GLU  13           HG1      GLU  13   2.456  -4.237   9.218
   91    H    ASP  14           H        ASP  14   2.620  -3.275   4.202
   92    HA   ASP  14           HA       ASP  14   2.832  -5.854   3.022
   93    HB2  ASP  14           HB2      ASP  14   1.768  -3.288   1.763
   94    HB3  ASP  14           HB1      ASP  14   1.676  -4.942   1.156
   95    H    CYS  15           H        CYS  15   4.505  -2.890   2.891
   96    HA   CYS  15           HA       CYS  15   6.016  -3.523   0.493
   97    HB2  CYS  15           HB2      CYS  15   6.290  -1.199   2.385
   98    HB3  CYS  15           HB1      CYS  15   6.902  -1.329   0.743
   99    H    CYS  16           H        CYS  16   8.379  -3.448   0.634
  100    HA   CYS  16           HA       CYS  16   9.460  -4.850   2.794
  101    HB2  CYS  16           HB2      CYS  16  10.875  -3.319   0.624
  102    HB3  CYS  16           HB1      CYS  16  11.565  -4.551   1.597
  103    H    LYS  17           H        LYS  17  11.714  -3.833   3.582
  104    HA   LYS  17           HA       LYS  17  10.772  -2.076   5.642
  105    HB2  LYS  17           HB2      LYS  17  13.592  -2.923   5.075
  106    HB3  LYS  17           HB1      LYS  17  12.970  -2.255   6.577
  107    HG2  LYS  17           HG2      LYS  17  12.204  -4.871   5.343
  108    HG3  LYS  17           HG1      LYS  17  13.281  -4.592   6.715
  109    HD2  LYS  17           HD2      LYS  17  11.410  -3.701   8.009
  110    HD3  LYS  17           HD1      LYS  17  10.353  -3.806   6.605
  111    HE2  LYS  17           HE2      LYS  17  10.703  -6.288   6.628
  112    HE3  LYS  17           HE1      LYS  17  11.554  -6.089   8.160
  113    HZ1  LYS  17           HZ1      LYS  17   9.196  -6.654   8.485
  114    HZ2  LYS  17           HZ2      LYS  17   8.762  -5.276   7.626
  115    HZ3  LYS  17           HZ3      LYS  17   9.546  -5.117   9.105
  116    H    HIS  18           H        HIS  18  13.163  -1.775   3.226
  117    HA   HIS  18           HA       HIS  18  13.610   1.027   3.719
  118    HB2  HIS  18           HB2      HIS  18  14.579  -0.696   1.425
  119    HB3  HIS  18           HB1      HIS  18  15.049   0.976   1.670
  120    HD1  HIS  18           HD1      HIS  18  16.011  -2.426   2.606
  121    HD2  HIS  18           HD2      HIS  18  16.482   1.394   4.168
  122    HE1  HIS  18           HE1      HIS  18  17.887  -2.582   4.266
  123    H    LEU  19           H        LEU  19  10.901  -0.040   2.742
  124    HA   LEU  19           HA       LEU  19  10.491   1.974   0.636
  125    HB2  LEU  19           HB2      LEU  19   9.075  -0.682   0.983
  126    HB3  LEU  19           HB1      LEU  19   8.677   0.527  -0.209
  127    HG   LEU  19           HG       LEU  19  11.353  -0.885  -0.135
  128   HD11  LEU  19          HD11      LEU  19   8.977  -1.379  -1.880
  129   HD12  LEU  19          HD12      LEU  19   9.555  -2.469  -0.608
  130   HD13  LEU  19          HD13      LEU  19  10.574  -2.099  -2.021
  131   HD21  LEU  19          HD21      LEU  19  11.508  -0.101  -2.410
  132   HD22  LEU  19          HD22      LEU  19  11.434   1.223  -1.251
  133   HD23  LEU  19          HD23      LEU  19  10.006   0.804  -2.216
  134    H    GLY  20           H        GLY  20   8.039   2.508   0.596
  135    HA2  GLY  20           HA2      GLY  20   6.786   2.424   3.221
  136    HA3  GLY  20           HA1      GLY  20   7.193   4.026   2.596
  137    H    CYS  21           H        CYS  21   4.544   2.751   3.121
  138    HA   CYS  21           HA       CYS  21   3.579   2.260   0.419
  139    HB2  CYS  21           HB2      CYS  21   2.865   0.680   2.059
  140    HB3  CYS  21           HB1      CYS  21   2.266   1.955   3.109
  141    H    LYS  22           H        LYS  22   2.752   3.801  -0.808
  142    HA   LYS  22           HA       LYS  22   1.501   6.072   0.457
  143    HB2  LYS  22           HB2      LYS  22   2.379   5.487  -2.306
  144    HB3  LYS  22           HB1      LYS  22   0.985   6.540  -2.118
  145    HG2  LYS  22           HG2      LYS  22   3.628   6.961  -0.794
  146    HG3  LYS  22           HG1      LYS  22   3.124   7.754  -2.301
  147    HD2  LYS  22           HD2      LYS  22   1.108   8.603  -0.991
  148    HD3  LYS  22           HD1      LYS  22   1.905   8.028   0.458
  149    HE2  LYS  22           HE2      LYS  22   3.820   9.447   0.030
  150    HE3  LYS  22           HE1      LYS  22   3.118   9.978  -1.491
  151    HZ1  LYS  22           HZ1      LYS  22   2.087  10.582   1.247
  152    HZ2  LYS  22           HZ2      LYS  22   1.288  10.971  -0.181
  153    HZ3  LYS  22           HZ3      LYS  22   2.765  11.657   0.136
  154    H    ARG  23           H        ARG  23  -0.428   5.935   1.104
  155    HA   ARG  23           HA       ARG  23  -2.142   3.811   0.243
  156    HB2  ARG  23           HB2      ARG  23  -2.610   6.089   2.161
  157    HB3  ARG  23           HB1      ARG  23  -3.799   4.858   1.800
  158    HG2  ARG  23           HG2      ARG  23  -2.859   4.224   3.841
  159    HG3  ARG  23           HG1      ARG  23  -2.090   3.196   2.631
  160    HD2  ARG  23           HD2      ARG  23  -0.069   4.507   2.734
  161    HD3  ARG  23           HD1      ARG  23  -0.859   5.695   3.760
  162    HE   ARG  23           HE       ARG  23  -1.251   3.573   5.222
  163   HH11  ARG  23          HH11      ARG  23   1.825   4.477   3.675
  164   HH12  ARG  23          HH12      ARG  23   2.772   3.776   4.907
  165   HH21  ARG  23          HH21      ARG  23   0.106   2.663   6.876
  166   HH22  ARG  23          HH22      ARG  23   1.813   2.804   6.723
  167    H    LYS  24           H        LYS  24  -1.485   6.831  -0.837
  168    HA   LYS  24           HA       LYS  24  -4.160   7.433  -1.820
  169    HB2  LYS  24           HB2      LYS  24  -2.710   9.278  -1.025
  170    HB3  LYS  24           HB1      LYS  24  -1.524   8.863  -2.252
  171    HG2  LYS  24           HG2      LYS  24  -3.182   9.377  -3.994
  172    HG3  LYS  24           HG1      LYS  24  -4.316   9.871  -2.740
  173    HD2  LYS  24           HD2      LYS  24  -2.785  11.629  -2.042
  174    HD3  LYS  24           HD1      LYS  24  -1.621  11.110  -3.267
  175    HE2  LYS  24           HE2      LYS  24  -3.286  11.574  -5.009
  176    HE3  LYS  24           HE1      LYS  24  -4.400  12.156  -3.773
  177    HZ1  LYS  24           HZ1      LYS  24  -3.234  13.964  -4.853
  178    HZ2  LYS  24           HZ2      LYS  24  -1.755  13.318  -4.424
  179    HZ3  LYS  24           HZ3      LYS  24  -2.777  13.900  -3.230
  180    H    MET  25           H        MET  25  -1.244   5.978  -2.730
  181    HA   MET  25           HA       MET  25  -1.955   6.117  -5.564
  182    HB2  MET  25           HB2      MET  25   0.747   5.528  -4.339
  183    HB3  MET  25           HB1      MET  25   0.361   5.707  -6.019
  184    HG2  MET  25           HG2      MET  25   0.112   7.893  -3.980
  185    HG3  MET  25           HG1      MET  25   1.448   7.702  -5.110
  186    HE1  MET  25           HE1      MET  25  -0.086   6.818  -7.794
  187    HE2  MET  25           HE2      MET  25   1.209   8.012  -7.736
  188    HE3  MET  25           HE3      MET  25  -0.310   8.395  -8.549
  189    H    LYS  26           H        LYS  26  -1.665   4.101  -2.870
  190    HA   LYS  26           HA       LYS  26  -1.954   1.940  -2.439
  191    HB2  LYS  26           HB2      LYS  26  -3.075   1.849  -5.232
  192    HB3  LYS  26           HB1      LYS  26  -3.157   0.518  -4.105
  193    HG2  LYS  26           HG2      LYS  26  -4.383   3.239  -3.670
  194    HG3  LYS  26           HG1      LYS  26  -5.256   1.763  -4.104
  195    HD2  LYS  26           HD2      LYS  26  -3.558   2.068  -1.649
  196    HD3  LYS  26           HD1      LYS  26  -5.305   2.329  -1.645
  197    HE2  LYS  26           HE2      LYS  26  -5.678   0.016  -2.348
  198    HE3  LYS  26           HE1      LYS  26  -3.944  -0.256  -2.472
  199    HZ1  LYS  26           HZ1      LYS  26  -3.747   0.069  -0.123
  200    HZ2  LYS  26           HZ2      LYS  26  -4.809  -1.174  -0.455
  201    HZ3  LYS  26           HZ3      LYS  26  -5.414   0.335   0.038
  202    H    TYR  27           H        TYR  27   0.397   2.779  -3.166
  203    HA   TYR  27           HA       TYR  27   1.548   0.228  -3.752
  204    HB2  TYR  27           HB2      TYR  27   2.996   0.714  -5.583
  205    HB3  TYR  27           HB1      TYR  27   1.349   1.020  -6.065
  206    HD1  TYR  27           HD1      TYR  27   0.816   3.138  -7.042
  207    HD2  TYR  27           HD2      TYR  27   4.498   2.686  -4.980
  208    HE1  TYR  27           HE1      TYR  27   1.560   5.334  -7.861
  209    HE2  TYR  27           HE2      TYR  27   5.244   4.869  -5.788
  210    HH   TYR  27           HH       TYR  27   4.823   6.411  -7.480
  211    H    CYS  28           H        CYS  28   3.716   0.033  -3.555
  212    HA   CYS  28           HA       CYS  28   4.720   1.503  -1.305
  213    HB2  CYS  28           HB2      CYS  28   5.974  -0.719  -2.907
  214    HB3  CYS  28           HB1      CYS  28   6.513  -0.134  -1.336
  215    H    ALA  29           H        ALA  29   6.128   3.057  -1.356
  216    HA   ALA  29           HA       ALA  29   7.667   3.619  -3.793
  217    HB1  ALA  29           HB1      ALA  29   6.682   5.509  -1.630
  218    HB2  ALA  29           HB2      ALA  29   6.026   5.383  -3.260
  219    HB3  ALA  29           HB3      ALA  29   7.669   5.972  -3.021
  220    H    TRP  30           H        TRP  30   9.686   5.204  -2.632
  221    HA   TRP  30           HA       TRP  30  10.998   3.215  -1.039
  222    HB2  TRP  30           HB2      TRP  30  11.942   5.914  -2.012
  223    HB3  TRP  30           HB1      TRP  30  12.893   4.902  -0.933
  224    HD1  TRP  30           HD       TRP  30  12.124   5.381  -4.546
  225    HE1  TRP  30           HE1      TRP  30  13.254   3.505  -5.910
  226    HE3  TRP  30           HE3      TRP  30  13.421   2.466  -0.761
  227    HZ2  TRP  30           HZ2      TRP  30  14.556   1.018  -5.359
  228    HZ3  TRP  30           HZ3      TRP  30  14.650   0.310  -1.163
  229    HH2  TRP  30           HH       TRP  30  15.191  -0.374  -3.434
  230    H    ASP  31           H        ASP  31   9.141   5.834  -0.487
  231    HA   ASP  31           HA       ASP  31   8.813   5.436   2.231
  232    HB2  ASP  31           HB2      ASP  31  11.077   6.672   2.239
  233    HB3  ASP  31           HB1      ASP  31  10.236   8.041   1.522
  234    H    PHE  32           H        PHE  32   6.972   6.563   2.724
  235    HA   PHE  32           HA       PHE  32   5.545   7.620   0.453
  236    HB2  PHE  32           HB2      PHE  32   3.602   7.861   1.990
  237    HB3  PHE  32           HB1      PHE  32   4.258   6.237   1.971
  238    HD1  PHE  32           HD1      PHE  32   4.080   9.364   3.933
  239    HD2  PHE  32           HD2      PHE  32   4.980   5.219   3.968
  240    HE1  PHE  32           HE1      PHE  32   4.153   9.409   6.391
  241    HE2  PHE  32           HE2      PHE  32   5.062   5.261   6.429
  242    HZ   PHE  32           HZ       PHE  32   4.649   7.354   7.635
  243    H    THR  33           H        THR  33   7.578   8.792   2.809
  244    HA   THR  33           HA       THR  33   6.483  11.439   3.017
  245    HB   THR  33           HB       THR  33   9.225  10.544   3.883
  246    HG1  THR  33           HG1      THR  33   7.967   9.007   4.733
  247   HG21  THR  33          HG21      THR  33   7.211  12.478   5.055
  248   HG22  THR  33          HG22      THR  33   8.636  12.930   4.122
  249   HG23  THR  33          HG23      THR  33   8.822  12.156   5.696
  250    H    PHE  34           H        PHE  34   6.534  12.137   0.848
  251    HA   PHE  34           HA       PHE  34   9.086  12.303  -0.528
  252    HB2  PHE  34           HB2      PHE  34   6.300  13.143  -1.341
  253    HB3  PHE  34           HB1      PHE  34   7.721  13.463  -2.319
  254    HD1  PHE  34           HD1      PHE  34   8.762  11.728  -3.585
  255    HD2  PHE  34           HD2      PHE  34   5.484  10.854  -1.025
  256    HE1  PHE  34           HE1      PHE  34   8.509   9.539  -4.668
  257    HE2  PHE  34           HE2      PHE  34   5.226   8.658  -2.102
  258    HZ   PHE  34           HZ       PHE  34   6.739   7.999  -3.928
  259    H    THR  35           H        THR  35   6.929  14.297   1.306
  260    HA   THR  35           HA       THR  35   8.913  16.426   1.173
  261    HB   THR  35           HB       THR  35   7.023  17.058  -0.361
  262    HG1  THR  35           HG1      THR  35   6.711  19.108   0.556
  263   HG21  THR  35          HG21      THR  35   5.377  17.033   2.174
  264   HG22  THR  35          HG22      THR  35   5.192  15.935   0.807
  265   HG23  THR  35          HG23      THR  35   4.844  17.653   0.611
  Start of MODEL   17
    1    H1   ASP   1           HT1      ASP   1   7.181 -13.681   0.931
    2    H2   ASP   1           HT2      ASP   1   6.006 -12.632   0.288
    3    H3   ASP   1           HT3      ASP   1   6.407 -12.538   1.905
    4    HA   ASP   1           HA       ASP   1   8.589 -11.750   1.407
    5    HB2  ASP   1           HB2      ASP   1   7.644 -11.956  -1.467
    6    HB3  ASP   1           HB1      ASP   1   9.077 -11.082  -0.956
    7    H    CYS   2           H        CYS   2   8.876  -9.478   1.271
    8    HA   CYS   2           HA       CYS   2   6.444  -7.969   1.345
    9    HB2  CYS   2           HB2      CYS   2   7.980  -6.078   1.517
   10    HB3  CYS   2           HB1      CYS   2   8.128  -7.216   2.826
   11    H    ARG   3           H        ARG   3   6.115  -6.179   0.132
   12    HA   ARG   3           HA       ARG   3   6.623  -6.707  -2.682
   13    HB2  ARG   3           HB2      ARG   3   4.733  -4.814  -1.310
   14    HB3  ARG   3           HB1      ARG   3   4.814  -5.079  -3.056
   15    HG2  ARG   3           HG2      ARG   3   4.128  -7.316  -2.840
   16    HG3  ARG   3           HG1      ARG   3   4.306  -7.281  -1.081
   17    HD2  ARG   3           HD2      ARG   3   2.523  -5.543  -1.073
   18    HD3  ARG   3           HD1      ARG   3   2.300  -5.870  -2.793
   19    HE   ARG   3           HE       ARG   3   2.213  -8.293  -1.661
   20   HH11  ARG   3          HH11      ARG   3   0.341  -5.345  -1.312
   21   HH12  ARG   3          HH12      ARG   3  -1.041  -6.078  -0.624
   22   HH21  ARG   3          HH21      ARG   3   0.320  -9.359  -0.688
   23   HH22  ARG   3          HH22      ARG   3  -1.030  -8.418  -0.259
   24    H    TYR   4           H        TYR   4   7.626  -5.291  -4.050
   25    HA   TYR   4           HA       TYR   4   9.273  -3.382  -2.746
   26    HB2  TYR   4           HB2      TYR   4   9.275  -4.702  -5.436
   27    HB3  TYR   4           HB1      TYR   4  10.369  -3.428  -4.988
   28    HD1  TYR   4           HD1      TYR   4  11.649  -3.907  -2.595
   29    HD2  TYR   4           HD2      TYR   4  10.072  -6.868  -5.239
   30    HE1  TYR   4           HE1      TYR   4  13.217  -5.519  -1.712
   31    HE2  TYR   4           HE2      TYR   4  11.654  -8.509  -4.313
   32    HH   TYR   4           HH       TYR   4  13.428  -7.938  -1.489
   33    H    MET   5           H        MET   5   9.719  -1.768  -4.992
   34    HA   MET   5           HA       MET   5   7.635   0.131  -4.634
   35    HB2  MET   5           HB2      MET   5  10.172   0.455  -5.397
   36    HB3  MET   5           HB1      MET   5   9.477   0.224  -6.990
   37    HG2  MET   5           HG2      MET   5   7.921   2.078  -6.536
   38    HG3  MET   5           HG1      MET   5   8.738   2.279  -4.983
   39    HE1  MET   5           HE1      MET   5   9.392   4.712  -5.265
   40    HE2  MET   5           HE2      MET   5   8.387   4.725  -6.722
   41    HE3  MET   5           HE3      MET   5  10.017   5.420  -6.753
   42    H    PHE   6           H        PHE   6   5.962   0.606  -5.692
   43    HA   PHE   6           HA       PHE   6   4.246   0.601  -7.061
   44    HB2  PHE   6           HB2      PHE   6   5.986  -0.893  -9.047
   45    HB3  PHE   6           HB1      PHE   6   4.380  -0.250  -9.390
   46    HD1  PHE   6           HD1      PHE   6   7.887   0.527  -8.953
   47    HD2  PHE   6           HD2      PHE   6   4.004   2.175  -9.453
   48    HE1  PHE   6           HE1      PHE   6   8.896   2.672  -9.498
   49    HE2  PHE   6           HE2      PHE   6   5.004   4.356 -10.027
   50    HZ   PHE   6           HZ       PHE   6   7.454   4.614 -10.052
   51    H    GLY   7           H        GLY   7   5.348  -1.926  -5.467
   52    HA2  GLY   7           HA2      GLY   7   3.402  -3.893  -6.206
   53    HA3  GLY   7           HA1      GLY   7   4.320  -3.849  -4.702
   54    H    ASP   8           H        ASP   8   1.492  -4.336  -5.022
   55    HA   ASP   8           HA       ASP   8   0.066  -1.898  -4.377
   56    HB2  ASP   8           HB2      ASP   8  -0.901  -3.541  -5.643
   57    HB3  ASP   8           HB1      ASP   8  -0.797  -4.798  -4.398
   58    H    CYS   9           H        CYS   9  -0.857  -1.400  -2.390
   59    HA   CYS   9           HA       CYS   9  -0.028  -3.127  -0.207
   60    HB2  CYS   9           HB2      CYS   9   1.205  -1.406   0.939
   61    HB3  CYS   9           HB1      CYS   9   1.758  -1.638  -0.735
   62    H    GLU  10           H        GLU  10  -1.124  -2.854   1.708
   63    HA   GLU  10           HA       GLU  10  -3.455  -1.078   1.646
   64    HB2  GLU  10           HB2      GLU  10  -2.853  -3.448   3.434
   65    HB3  GLU  10           HB1      GLU  10  -4.345  -2.529   3.396
   66    HG2  GLU  10           HG2      GLU  10  -4.742  -3.335   1.099
   67    HG3  GLU  10           HG1      GLU  10  -3.259  -4.279   1.224
   68    H    LYS  11           H        LYS  11  -0.709  -2.351   3.447
   69    HA   LYS  11           HA       LYS  11  -0.601   0.051   5.069
   70    HB2  LYS  11           HB2      LYS  11   0.186  -1.495   6.909
   71    HB3  LYS  11           HB1      LYS  11  -1.532  -1.498   6.568
   72    HG2  LYS  11           HG2      LYS  11  -1.245  -3.577   5.280
   73    HG3  LYS  11           HG1      LYS  11   0.474  -3.566   5.667
   74    HD2  LYS  11           HD2      LYS  11  -0.086  -3.665   8.055
   75    HD3  LYS  11           HD1      LYS  11  -1.801  -3.712   7.652
   76    HE2  LYS  11           HE2      LYS  11  -1.486  -5.821   6.499
   77    HE3  LYS  11           HE1      LYS  11   0.249  -5.761   6.814
   78    HZ1  LYS  11           HZ1      LYS  11  -0.888  -7.209   8.365
   79    HZ2  LYS  11           HZ2      LYS  11  -1.881  -5.942   8.865
   80    HZ3  LYS  11           HZ3      LYS  11  -0.222  -5.889   9.170
   81    H    ASP  12           H        ASP  12   1.615   0.109   6.115
   82    HA   ASP  12           HA       ASP  12   3.536   0.033   4.000
   83    HB2  ASP  12           HB2      ASP  12   3.841   0.654   6.935
   84    HB3  ASP  12           HB1      ASP  12   5.220   0.572   5.854
   85    H    GLU  13           H        GLU  13   2.510  -2.160   6.249
   86    HA   GLU  13           HA       GLU  13   4.819  -3.750   6.596
   87    HB2  GLU  13           HB2      GLU  13   1.937  -4.424   6.720
   88    HB3  GLU  13           HB1      GLU  13   3.188  -5.559   7.113
   89    HG2  GLU  13           HG2      GLU  13   2.405  -4.666   9.225
   90    HG3  GLU  13           HG1      GLU  13   3.997  -3.993   8.928
   91    H    ASP  14           H        ASP  14   2.515  -3.435   4.037
   92    HA   ASP  14           HA       ASP  14   2.989  -6.019   2.942
   93    HB2  ASP  14           HB2      ASP  14   1.885  -3.577   1.485
   94    HB3  ASP  14           HB1      ASP  14   1.909  -5.269   0.998
   95    H    CYS  15           H        CYS  15   4.536  -2.994   2.836
   96    HA   CYS  15           HA       CYS  15   6.134  -3.620   0.490
   97    HB2  CYS  15           HB2      CYS  15   6.329  -1.228   2.284
   98    HB3  CYS  15           HB1      CYS  15   6.878  -1.390   0.631
   99    H    CYS  16           H        CYS  16   8.435  -3.602   0.651
  100    HA   CYS  16           HA       CYS  16   9.577  -4.788   2.879
  101    HB2  CYS  16           HB2      CYS  16  10.949  -3.311   0.646
  102    HB3  CYS  16           HB1      CYS  16  11.684  -4.443   1.702
  103    H    LYS  17           H        LYS  17  11.781  -3.708   3.619
  104    HA   LYS  17           HA       LYS  17  11.001  -1.991   5.710
  105    HB2  LYS  17           HB2      LYS  17  13.768  -2.544   4.694
  106    HB3  LYS  17           HB1      LYS  17  13.365  -1.820   6.239
  107    HG2  LYS  17           HG2      LYS  17  12.627  -4.579   5.351
  108    HG3  LYS  17           HG1      LYS  17  13.979  -4.133   6.403
  109    HD2  LYS  17           HD2      LYS  17  12.313  -3.163   7.990
  110    HD3  LYS  17           HD1      LYS  17  11.026  -3.765   6.944
  111    HE2  LYS  17           HE2      LYS  17  13.100  -5.438   8.348
  112    HE3  LYS  17           HE1      LYS  17  11.420  -5.257   8.844
  113    HZ1  LYS  17           HZ1      LYS  17  12.380  -6.496   6.319
  114    HZ2  LYS  17           HZ2      LYS  17  10.764  -6.323   6.754
  115    HZ3  LYS  17           HZ3      LYS  17  11.770  -7.316   7.652
  116    H    HIS  18           H        HIS  18  13.113  -1.361   3.078
  117    HA   HIS  18           HA       HIS  18  13.379   1.443   3.734
  118    HB2  HIS  18           HB2      HIS  18  14.402   0.018   1.267
  119    HB3  HIS  18           HB1      HIS  18  14.930   1.581   1.880
  120    HD1  HIS  18           HD1      HIS  18  15.980  -1.812   1.847
  121    HD2  HIS  18           HD2      HIS  18  15.983   1.191   4.714
  122    HE1  HIS  18           HE1      HIS  18  17.638  -2.522   3.607
  123    H    LEU  19           H        LEU  19  10.785   0.190   2.678
  124    HA   LEU  19           HA       LEU  19  10.190   2.209   0.619
  125    HB2  LEU  19           HB2      LEU  19   9.096  -0.592   0.917
  126    HB3  LEU  19           HB1      LEU  19   8.563   0.585  -0.261
  127    HG   LEU  19           HG       LEU  19  11.375  -0.505  -0.203
  128   HD11  LEU  19          HD11      LEU  19   9.739  -2.306  -0.560
  129   HD12  LEU  19          HD12      LEU  19  10.703  -1.927  -1.995
  130   HD13  LEU  19          HD13      LEU  19   9.040  -1.354  -1.878
  131   HD21  LEU  19          HD21      LEU  19   9.762   0.940  -2.286
  132   HD22  LEU  19          HD22      LEU  19  11.367   0.250  -2.515
  133   HD23  LEU  19          HD23      LEU  19  11.140   1.574  -1.377
  134    H    GLY  20           H        GLY  20   7.853   2.599   0.549
  135    HA2  GLY  20           HA2      GLY  20   6.488   2.215   3.077
  136    HA3  GLY  20           HA1      GLY  20   6.761   3.875   2.532
  137    H    CYS  21           H        CYS  21   4.307   2.633   2.948
  138    HA   CYS  21           HA       CYS  21   3.255   1.989   0.309
  139    HB2  CYS  21           HB2      CYS  21   2.523   0.605   2.160
  140    HB3  CYS  21           HB1      CYS  21   1.966   2.005   3.059
  141    H    LYS  22           H        LYS  22   2.851   3.704  -0.967
  142    HA   LYS  22           HA       LYS  22   2.160   6.261   0.080
  143    HB2  LYS  22           HB2      LYS  22   1.911   5.155  -2.699
  144    HB3  LYS  22           HB1      LYS  22   1.503   6.804  -2.280
  145    HG2  LYS  22           HG2      LYS  22   4.135   5.542  -1.931
  146    HG3  LYS  22           HG1      LYS  22   3.743   6.536  -3.349
  147    HD2  LYS  22           HD2      LYS  22   3.255   8.389  -1.607
  148    HD3  LYS  22           HD1      LYS  22   4.085   7.348  -0.447
  149    HE2  LYS  22           HE2      LYS  22   6.069   7.340  -1.945
  150    HE3  LYS  22           HE1      LYS  22   5.234   8.469  -3.002
  151    HZ1  LYS  22           HZ1      LYS  22   6.620   9.754  -1.695
  152    HZ2  LYS  22           HZ2      LYS  22   6.340   8.915  -0.304
  153    HZ3  LYS  22           HZ3      LYS  22   5.126   9.943  -0.906
  154    H    ARG  23           H        ARG  23   0.395   6.652   0.913
  155    HA   ARG  23           HA       ARG  23  -1.886   4.939   0.773
  156    HB2  ARG  23           HB2      ARG  23  -1.636   7.667   2.040
  157    HB3  ARG  23           HB1      ARG  23  -2.836   6.436   2.410
  158    HG2  ARG  23           HG2      ARG  23   0.123   6.305   2.977
  159    HG3  ARG  23           HG1      ARG  23  -1.183   6.477   4.154
  160    HD2  ARG  23           HD2      ARG  23  -2.074   4.331   3.438
  161    HD3  ARG  23           HD1      ARG  23  -0.722   4.206   2.298
  162    HE   ARG  23           HE       ARG  23   0.773   4.241   4.274
  163   HH11  ARG  23          HH11      ARG  23  -2.530   3.044   4.691
  164   HH12  ARG  23          HH12      ARG  23  -2.133   2.010   6.000
  165   HH21  ARG  23          HH21      ARG  23   1.305   2.739   6.052
  166   HH22  ARG  23          HH22      ARG  23   0.048   1.857   6.792
  167    H    LYS  24           H        LYS  24  -0.721   7.281  -1.167
  168    HA   LYS  24           HA       LYS  24  -3.284   8.538  -1.797
  169    HB2  LYS  24           HB2      LYS  24  -1.209   9.889  -1.704
  170    HB3  LYS  24           HB1      LYS  24  -0.535   8.924  -3.006
  171    HG2  LYS  24           HG2      LYS  24  -2.436   9.697  -4.444
  172    HG3  LYS  24           HG1      LYS  24  -2.893  10.792  -3.143
  173    HD2  LYS  24           HD2      LYS  24  -0.261  10.783  -4.636
  174    HD3  LYS  24           HD1      LYS  24  -1.563  11.951  -4.833
  175    HE2  LYS  24           HE2      LYS  24  -1.254  12.632  -2.465
  176    HE3  LYS  24           HE1      LYS  24   0.091  11.501  -2.351
  177    HZ1  LYS  24           HZ1      LYS  24  -0.055  13.862  -4.137
  178    HZ2  LYS  24           HZ2      LYS  24   1.205  12.753  -4.121
  179    HZ3  LYS  24           HZ3      LYS  24   0.910  13.702  -2.764
  180    H    MET  25           H        MET  25  -0.958   6.267  -2.937
  181    HA   MET  25           HA       MET  25  -2.435   5.993  -5.450
  182    HB2  MET  25           HB2      MET  25   0.466   5.608  -4.853
  183    HB3  MET  25           HB1      MET  25  -0.295   5.167  -6.358
  184    HG2  MET  25           HG2      MET  25  -0.138   7.947  -5.200
  185    HG3  MET  25           HG1      MET  25   0.808   7.312  -6.546
  186    HE1  MET  25           HE1      MET  25  -0.179   6.749  -8.930
  187    HE2  MET  25           HE2      MET  25  -1.895   6.843  -9.328
  188    HE3  MET  25           HE3      MET  25  -1.323   5.630  -8.188
  189    H    LYS  26           H        LYS  26  -1.574   4.433  -2.613
  190    HA   LYS  26           HA       LYS  26  -1.836   2.429  -1.751
  191    HB2  LYS  26           HB2      LYS  26  -3.499   1.832  -4.209
  192    HB3  LYS  26           HB1      LYS  26  -3.409   0.808  -2.782
  193    HG2  LYS  26           HG2      LYS  26  -4.528   3.593  -2.960
  194    HG3  LYS  26           HG1      LYS  26  -5.412   2.097  -2.636
  195    HD2  LYS  26           HD2      LYS  26  -4.100   1.824  -0.559
  196    HD3  LYS  26           HD1      LYS  26  -3.302   3.355  -0.906
  197    HE2  LYS  26           HE2      LYS  26  -5.071   3.716   0.713
  198    HE3  LYS  26           HE1      LYS  26  -5.475   4.497  -0.812
  199    HZ1  LYS  26           HZ1      LYS  26  -6.975   2.696  -1.333
  200    HZ2  LYS  26           HZ2      LYS  26  -7.359   3.270   0.212
  201    HZ3  LYS  26           HZ3      LYS  26  -6.500   1.851   0.036
  202    H    TYR  27           H        TYR  27   0.410   2.951  -2.980
  203    HA   TYR  27           HA       TYR  27   1.258   0.242  -3.424
  204    HB2  TYR  27           HB2      TYR  27   2.561   0.492  -5.460
  205    HB3  TYR  27           HB1      TYR  27   0.876   0.775  -5.782
  206    HD1  TYR  27           HD1      TYR  27   4.078   2.587  -5.107
  207    HD2  TYR  27           HD2      TYR  27   0.314   2.640  -7.079
  208    HE1  TYR  27           HE1      TYR  27   4.753   4.607  -6.302
  209    HE2  TYR  27           HE2      TYR  27   0.973   4.676  -8.274
  210    HH   TYR  27           HH       TYR  27   4.172   5.854  -8.338
  211    H    CYS  28           H        CYS  28   3.561  -0.071  -3.589
  212    HA   CYS  28           HA       CYS  28   4.680   1.384  -1.395
  213    HB2  CYS  28           HB2      CYS  28   5.836  -0.872  -3.029
  214    HB3  CYS  28           HB1      CYS  28   6.439  -0.287  -1.482
  215    H    ALA  29           H        ALA  29   6.042   2.950  -1.539
  216    HA   ALA  29           HA       ALA  29   7.597   3.340  -3.986
  217    HB1  ALA  29           HB1      ALA  29   7.472   5.770  -3.514
  218    HB2  ALA  29           HB2      ALA  29   6.392   5.406  -2.165
  219    HB3  ALA  29           HB3      ALA  29   5.880   5.066  -3.818
  220    H    TRP  30           H        TRP  30   9.399   5.216  -2.969
  221    HA   TRP  30           HA       TRP  30  10.845   3.530  -1.200
  222    HB2  TRP  30           HB2      TRP  30  11.564   6.209  -2.378
  223    HB3  TRP  30           HB1      TRP  30  12.610   5.330  -1.287
  224    HD1  TRP  30           HD       TRP  30  11.757   5.577  -4.864
  225    HE1  TRP  30           HE1      TRP  30  12.968   3.655  -6.187
  226    HE3  TRP  30           HE3      TRP  30  13.194   2.867  -1.007
  227    HZ2  TRP  30           HZ2      TRP  30  14.351   1.276  -5.556
  228    HZ3  TRP  30           HZ3      TRP  30  14.489   0.744  -1.337
  229    HH2  TRP  30           HH       TRP  30  15.036  -0.013  -3.591
  230    H    ASP  31           H        ASP  31   8.385   5.462  -0.486
  231    HA   ASP  31           HA       ASP  31   8.750   5.302   2.185
  232    HB2  ASP  31           HB2      ASP  31   8.810   7.652   2.825
  233    HB3  ASP  31           HB1      ASP  31  10.228   7.221   1.865
  234    H    PHE  32           H        PHE  32   6.952   6.580   3.103
  235    HA   PHE  32           HA       PHE  32   4.574   5.992   1.463
  236    HB2  PHE  32           HB2      PHE  32   3.317   5.924   3.580
  237    HB3  PHE  32           HB1      PHE  32   4.641   4.776   3.527
  238    HD1  PHE  32           HD1      PHE  32   3.663   8.123   4.912
  239    HD2  PHE  32           HD2      PHE  32   6.228   4.743   5.224
  240    HE1  PHE  32           HE1      PHE  32   4.447   8.923   7.092
  241    HE2  PHE  32           HE2      PHE  32   7.032   5.557   7.402
  242    HZ   PHE  32           HZ       PHE  32   6.142   7.649   8.338
  243    H    THR  33           H        THR  33   6.241   8.718   1.880
  244    HA   THR  33           HA       THR  33   5.831  10.904   1.911
  245    HB   THR  33           HB       THR  33   2.888  10.155   1.815
  246    HG1  THR  33           HG1      THR  33   3.195  11.122  -0.352
  247   HG21  THR  33          HG21      THR  33   4.184  12.854   1.478
  248   HG22  THR  33          HG22      THR  33   3.185  12.295   2.829
  249   HG23  THR  33          HG23      THR  33   2.464  12.496   1.224
  250    H    PHE  34           H        PHE  34   6.450  11.737   3.754
  251    HA   PHE  34           HA       PHE  34   5.684  10.631   6.226
  252    HB2  PHE  34           HB2      PHE  34   7.294  13.114   5.637
  253    HB3  PHE  34           HB1      PHE  34   7.131  12.374   7.227
  254    HD1  PHE  34           HD1      PHE  34   7.926   9.997   7.533
  255    HD2  PHE  34           HD2      PHE  34   8.898  12.331   4.112
  256    HE1  PHE  34           HE1      PHE  34   9.795   8.481   7.032
  257    HE2  PHE  34           HE2      PHE  34  10.768  10.816   3.608
  258    HZ   PHE  34           HZ       PHE  34  11.217   8.893   5.064
  259    H    THR  35           H        THR  35   3.772  10.833   6.960
  260    HA   THR  35           HA       THR  35   2.711  13.367   7.773
  261    HB   THR  35           HB       THR  35   1.118  11.550   5.931
  262    HG1  THR  35           HG1      THR  35   2.844  13.520   5.368
  263   HG21  THR  35          HG21      THR  35  -0.242  12.728   7.603
  264   HG22  THR  35          HG22      THR  35  -0.556  13.349   5.983
  265   HG23  THR  35          HG23      THR  35   0.465  14.262   7.093
  Start of MODEL   18
    1    H1   ASP   1           HT1      ASP   1   5.826 -13.358   0.031
    2    H2   ASP   1           HT2      ASP   1   4.937 -12.017  -0.531
    3    H3   ASP   1           HT3      ASP   1   5.162 -12.238   1.114
    4    HA   ASP   1           HA       ASP   1   7.484 -11.807   0.930
    5    HB2  ASP   1           HB2      ASP   1   6.838 -11.363  -2.011
    6    HB3  ASP   1           HB1      ASP   1   8.384 -11.014  -1.253
    7    H    CYS   2           H        CYS   2   8.274  -9.410   0.340
    8    HA   CYS   2           HA       CYS   2   6.031  -7.733   1.027
    9    HB2  CYS   2           HB2      CYS   2   7.776  -6.037   1.289
   10    HB3  CYS   2           HB1      CYS   2   7.938  -7.360   2.416
   11    H    ARG   3           H        ARG   3   6.101  -5.579   0.071
   12    HA   ARG   3           HA       ARG   3   6.194  -5.865  -2.839
   13    HB2  ARG   3           HB2      ARG   3   4.840  -3.789  -1.135
   14    HB3  ARG   3           HB1      ARG   3   4.681  -3.954  -2.867
   15    HG2  ARG   3           HG2      ARG   3   3.782  -5.950  -0.815
   16    HG3  ARG   3           HG1      ARG   3   2.747  -4.800  -1.656
   17    HD2  ARG   3           HD2      ARG   3   3.300  -5.872  -3.780
   18    HD3  ARG   3           HD1      ARG   3   4.326  -7.036  -2.931
   19    HE   ARG   3           HE       ARG   3   1.791  -7.022  -1.778
   20   HH11  ARG   3          HH11      ARG   3   3.257  -8.029  -4.841
   21   HH12  ARG   3          HH12      ARG   3   2.189  -9.319  -5.112
   22   HH21  ARG   3          HH21      ARG   3   0.290  -8.768  -2.136
   23   HH22  ARG   3          HH22      ARG   3   0.442  -9.759  -3.492
   24    H    TYR   4           H        TYR   4   7.555  -4.635  -4.019
   25    HA   TYR   4           HA       TYR   4   9.267  -2.757  -2.692
   26    HB2  TYR   4           HB2      TYR   4   9.137  -3.955  -5.443
   27    HB3  TYR   4           HB1      TYR   4  10.361  -2.835  -4.895
   28    HD1  TYR   4           HD1      TYR   4   9.405  -6.212  -5.208
   29    HD2  TYR   4           HD2      TYR   4  11.842  -3.624  -2.856
   30    HE1  TYR   4           HE1      TYR   4  10.747  -8.124  -4.489
   31    HE2  TYR   4           HE2      TYR   4  13.179  -5.506  -2.152
   32    HH   TYR   4           HH       TYR   4  13.076  -7.874  -1.980
   33    H    MET   5           H        MET   5   9.644  -1.121  -4.991
   34    HA   MET   5           HA       MET   5   7.453   0.587  -4.752
   35    HB2  MET   5           HB2      MET   5   9.718   1.382  -5.467
   36    HB3  MET   5           HB1      MET   5   9.472   0.591  -7.015
   37    HG2  MET   5           HG2      MET   5   7.436   2.016  -7.322
   38    HG3  MET   5           HG1      MET   5   7.889   2.880  -5.862
   39    HE1  MET   5           HE1      MET   5  10.055   4.413  -5.685
   40    HE2  MET   5           HE2      MET   5  11.235   4.571  -6.997
   41    HE3  MET   5           HE3      MET   5  11.048   3.030  -6.159
   42    H    PHE   6           H        PHE   6   5.666   0.819  -5.909
   43    HA   PHE   6           HA       PHE   6   4.020   0.569  -7.425
   44    HB2  PHE   6           HB2      PHE   6   5.879  -1.215  -9.030
   45    HB3  PHE   6           HB1      PHE   6   4.270  -0.722  -9.544
   46    HD1  PHE   6           HD1      PHE   6   3.835   1.622 -10.112
   47    HD2  PHE   6           HD2      PHE   6   7.721   0.232  -9.171
   48    HE1  PHE   6           HE1      PHE   6   4.803   3.665 -11.110
   49    HE2  PHE   6           HE2      PHE   6   8.708   2.228 -10.100
   50    HZ   PHE   6           HZ       PHE   6   7.252   3.978 -11.118
   51    H    GLY   7           H        GLY   7   5.323  -1.828  -5.584
   52    HA2  GLY   7           HA2      GLY   7   3.369  -3.833  -6.157
   53    HA3  GLY   7           HA1      GLY   7   4.450  -3.797  -4.763
   54    H    ASP   8           H        ASP   8   1.489  -4.219  -5.055
   55    HA   ASP   8           HA       ASP   8   0.122  -1.883  -4.173
   56    HB2  ASP   8           HB2      ASP   8  -0.841  -3.549  -5.429
   57    HB3  ASP   8           HB1      ASP   8  -0.757  -4.765  -4.141
   58    H    CYS   9           H        CYS   9  -0.641  -1.328  -2.253
   59    HA   CYS   9           HA       CYS   9   0.158  -2.983  -0.009
   60    HB2  CYS   9           HB2      CYS   9   1.415  -1.231   1.046
   61    HB3  CYS   9           HB1      CYS   9   1.934  -1.501  -0.635
   62    H    GLU  10           H        GLU  10  -0.947  -2.525   1.921
   63    HA   GLU  10           HA       GLU  10  -3.244  -0.716   1.696
   64    HB2  GLU  10           HB2      GLU  10  -2.805  -3.172   3.403
   65    HB3  GLU  10           HB1      GLU  10  -4.222  -2.144   3.476
   66    HG2  GLU  10           HG2      GLU  10  -4.841  -2.768   1.219
   67    HG3  GLU  10           HG1      GLU  10  -3.359  -3.707   1.047
   68    H    LYS  11           H        LYS  11  -0.520  -1.894   3.566
   69    HA   LYS  11           HA       LYS  11  -0.426   0.555   5.097
   70    HB2  LYS  11           HB2      LYS  11   0.174  -0.900   7.102
   71    HB3  LYS  11           HB1      LYS  11  -1.520  -0.865   6.652
   72    HG2  LYS  11           HG2      LYS  11  -1.224  -3.010   5.474
   73    HG3  LYS  11           HG1      LYS  11   0.460  -3.036   5.991
   74    HD2  LYS  11           HD2      LYS  11  -0.228  -3.121   8.312
   75    HD3  LYS  11           HD1      LYS  11  -1.923  -2.985   7.836
   76    HE2  LYS  11           HE2      LYS  11  -1.822  -5.109   6.701
   77    HE3  LYS  11           HE1      LYS  11  -0.091  -5.228   6.999
   78    HZ1  LYS  11           HZ1      LYS  11  -1.375  -6.563   8.556
   79    HZ2  LYS  11           HZ2      LYS  11  -2.177  -5.193   9.117
   80    HZ3  LYS  11           HZ3      LYS  11  -0.490  -5.346   9.316
   81    H    ASP  12           H        ASP  12   1.835   0.278   6.423
   82    HA   ASP  12           HA       ASP  12   3.738   0.178   4.268
   83    HB2  ASP  12           HB2      ASP  12   4.291   0.622   7.215
   84    HB3  ASP  12           HB1      ASP  12   5.445   0.849   5.910
   85    H    GLU  13           H        GLU  13   2.593  -2.040   6.469
   86    HA   GLU  13           HA       GLU  13   4.856  -3.749   6.815
   87    HB2  GLU  13           HB2      GLU  13   1.987  -4.482   6.708
   88    HB3  GLU  13           HB1      GLU  13   3.255  -5.481   7.382
   89    HG2  GLU  13           HG2      GLU  13   3.679  -3.433   8.971
   90    HG3  GLU  13           HG1      GLU  13   2.040  -2.986   8.513
   91    H    ASP  14           H        ASP  14   2.599  -3.235   4.313
   92    HA   ASP  14           HA       ASP  14   2.860  -5.720   3.016
   93    HB2  ASP  14           HB2      ASP  14   2.019  -3.022   1.975
   94    HB3  ASP  14           HB1      ASP  14   2.022  -4.535   1.077
   95    H    CYS  15           H        CYS  15   4.633  -2.781   3.043
   96    HA   CYS  15           HA       CYS  15   6.116  -3.373   0.640
   97    HB2  CYS  15           HB2      CYS  15   6.619  -1.171   2.618
   98    HB3  CYS  15           HB1      CYS  15   7.059  -1.245   0.924
   99    H    CYS  16           H        CYS  16   8.391  -3.545   0.660
  100    HA   CYS  16           HA       CYS  16   9.557  -5.102   2.651
  101    HB2  CYS  16           HB2      CYS  16  10.855  -3.420   0.525
  102    HB3  CYS  16           HB1      CYS  16  11.611  -4.735   1.343
  103    H    LYS  17           H        LYS  17  11.901  -4.191   3.352
  104    HA   LYS  17           HA       LYS  17  11.256  -2.653   5.623
  105    HB2  LYS  17           HB2      LYS  17  13.948  -3.324   4.493
  106    HB3  LYS  17           HB1      LYS  17  13.658  -2.635   6.082
  107    HG2  LYS  17           HG2      LYS  17  12.184  -4.509   6.511
  108    HG3  LYS  17           HG1      LYS  17  12.763  -5.282   5.045
  109    HD2  LYS  17           HD2      LYS  17  14.079  -6.184   6.866
  110    HD3  LYS  17           HD1      LYS  17  15.090  -5.098   5.910
  111    HE2  LYS  17           HE2      LYS  17  15.485  -4.775   8.297
  112    HE3  LYS  17           HE1      LYS  17  14.782  -3.332   7.589
  113    HZ1  LYS  17           HZ1      LYS  17  12.617  -4.000   8.503
  114    HZ2  LYS  17           HZ2      LYS  17  13.762  -3.825   9.690
  115    HZ3  LYS  17           HZ3      LYS  17  13.315  -5.373   9.198
  116    H    HIS  18           H        HIS  18  13.173  -1.988   2.920
  117    HA   HIS  18           HA       HIS  18  13.775   0.725   3.674
  118    HB2  HIS  18           HB2      HIS  18  14.293  -0.690   1.060
  119    HB3  HIS  18           HB1      HIS  18  14.830   0.941   1.425
  120    HD1  HIS  18           HD1      HIS  18  17.170   1.052   2.270
  121    HD2  HIS  18           HD2      HIS  18  15.405  -2.619   3.065
  122    HE1  HIS  18           HE1      HIS  18  18.966  -0.372   3.308
  123    H    LEU  19           H        LEU  19  10.878  -0.322   2.680
  124    HA   LEU  19           HA       LEU  19  10.398   2.152   1.181
  125    HB2  LEU  19           HB2      LEU  19   9.218  -0.553   0.596
  126    HB3  LEU  19           HB1      LEU  19   8.582   0.935  -0.064
  127    HG   LEU  19           HG       LEU  19  11.171   1.110  -0.852
  128   HD11  LEU  19          HD11      LEU  19  11.794  -1.063   0.022
  129   HD12  LEU  19          HD12      LEU  19  11.851  -1.011  -1.755
  130   HD13  LEU  19          HD13      LEU  19  10.503  -1.796  -0.950
  131   HD21  LEU  19          HD21      LEU  19   9.235   1.427  -2.261
  132   HD22  LEU  19          HD22      LEU  19   8.971  -0.323  -2.293
  133   HD23  LEU  19          HD23      LEU  19  10.417   0.362  -3.026
  134    H    GLY  20           H        GLY  20   8.093   2.707   1.046
  135    HA2  GLY  20           HA2      GLY  20   6.625   2.145   3.514
  136    HA3  GLY  20           HA1      GLY  20   6.944   3.814   3.022
  137    H    CYS  21           H        CYS  21   4.356   2.817   3.253
  138    HA   CYS  21           HA       CYS  21   3.544   2.100   0.542
  139    HB2  CYS  21           HB2      CYS  21   2.663   0.695   2.247
  140    HB3  CYS  21           HB1      CYS  21   2.113   2.071   3.188
  141    H    LYS  22           H        LYS  22   2.607   3.480  -0.833
  142    HA   LYS  22           HA       LYS  22   1.672   5.994   0.243
  143    HB2  LYS  22           HB2      LYS  22   2.478   5.172  -2.502
  144    HB3  LYS  22           HB1      LYS  22   1.329   6.490  -2.309
  145    HG2  LYS  22           HG2      LYS  22   3.981   6.324  -1.004
  146    HG3  LYS  22           HG1      LYS  22   3.678   7.255  -2.494
  147    HD2  LYS  22           HD2      LYS  22   1.926   8.504  -1.144
  148    HD3  LYS  22           HD1      LYS  22   2.527   7.682   0.280
  149    HE2  LYS  22           HE2      LYS  22   4.753   8.613  -0.093
  150    HE3  LYS  22           HE1      LYS  22   4.165   9.448  -1.528
  151    HZ1  LYS  22           HZ1      LYS  22   2.576  10.624  -0.053
  152    HZ2  LYS  22           HZ2      LYS  22   4.183  10.972   0.212
  153    HZ3  LYS  22           HZ3      LYS  22   3.361   9.946   1.291
  154    H    ARG  23           H        ARG  23  -0.183   6.058   0.879
  155    HA   ARG  23           HA       ARG  23  -2.160   4.155   0.149
  156    HB2  ARG  23           HB2      ARG  23  -2.286   6.599   1.894
  157    HB3  ARG  23           HB1      ARG  23  -3.667   5.568   1.593
  158    HG2  ARG  23           HG2      ARG  23  -2.798   4.950   3.698
  159    HG3  ARG  23           HG1      ARG  23  -2.334   3.687   2.557
  160    HD2  ARG  23           HD2      ARG  23  -0.083   4.516   2.508
  161    HD3  ARG  23           HD1      ARG  23  -0.535   5.907   3.500
  162    HE   ARG  23           HE       ARG  23  -1.322   3.783   4.967
  163   HH11  ARG  23          HH11      ARG  23   1.832   4.640   3.576
  164   HH12  ARG  23          HH12      ARG  23   2.708   3.885   4.826
  165   HH21  ARG  23          HH21      ARG  23  -0.065   2.817   6.695
  166   HH22  ARG  23          HH22      ARG  23   1.638   2.929   6.608
  167    H    LYS  24           H        LYS  24  -1.157   6.919  -1.298
  168    HA   LYS  24           HA       LYS  24  -3.845   7.698  -2.159
  169    HB2  LYS  24           HB2      LYS  24  -1.179   8.943  -2.850
  170    HB3  LYS  24           HB1      LYS  24  -2.749   9.589  -3.298
  171    HG2  LYS  24           HG2      LYS  24  -1.653   9.322  -0.498
  172    HG3  LYS  24           HG1      LYS  24  -1.814  10.814  -1.421
  173    HD2  LYS  24           HD2      LYS  24  -4.281  10.480  -1.449
  174    HD3  LYS  24           HD1      LYS  24  -4.066   9.039  -0.459
  175    HE2  LYS  24           HE2      LYS  24  -3.034  10.395   1.296
  176    HE3  LYS  24           HE1      LYS  24  -3.268  11.844   0.321
  177    HZ1  LYS  24           HZ1      LYS  24  -5.673  11.475   0.479
  178    HZ2  LYS  24           HZ2      LYS  24  -4.975  11.586   2.012
  179    HZ3  LYS  24           HZ3      LYS  24  -5.408  10.096   1.403
  180    H    MET  25           H        MET  25  -1.082   5.996  -3.132
  181    HA   MET  25           HA       MET  25  -2.116   5.803  -5.859
  182    HB2  MET  25           HB2      MET  25   0.721   5.454  -4.873
  183    HB3  MET  25           HB1      MET  25   0.162   5.192  -6.492
  184    HG2  MET  25           HG2      MET  25   0.036   7.829  -5.052
  185    HG3  MET  25           HG1      MET  25   1.261   7.369  -6.231
  186    HE1  MET  25           HE1      MET  25  -0.824   7.176  -9.553
  187    HE2  MET  25           HE2      MET  25  -0.440   5.839  -8.475
  188    HE3  MET  25           HE3      MET  25   0.782   7.060  -8.834
  189    H    LYS  26           H        LYS  26  -1.771   4.183  -2.996
  190    HA   LYS  26           HA       LYS  26  -2.053   2.108  -2.247
  191    HB2  LYS  26           HB2      LYS  26  -3.211   1.574  -4.978
  192    HB3  LYS  26           HB1      LYS  26  -3.293   0.464  -3.626
  193    HG2  LYS  26           HG2      LYS  26  -4.548   3.186  -3.800
  194    HG3  LYS  26           HG1      LYS  26  -5.371   1.619  -3.726
  195    HD2  LYS  26           HD2      LYS  26  -4.279   1.274  -1.499
  196    HD3  LYS  26           HD1      LYS  26  -3.694   2.926  -1.623
  197    HE2  LYS  26           HE2      LYS  26  -6.620   2.121  -1.643
  198    HE3  LYS  26           HE1      LYS  26  -5.762   2.744  -0.243
  199    HZ1  LYS  26           HZ1      LYS  26  -5.402   4.827  -1.460
  200    HZ2  LYS  26           HZ2      LYS  26  -7.039   4.470  -1.307
  201    HZ3  LYS  26           HZ3      LYS  26  -6.282   4.224  -2.778
  202    H    TYR  27           H        TYR  27   0.346   2.799  -3.323
  203    HA   TYR  27           HA       TYR  27   1.382   0.122  -3.525
  204    HB2  TYR  27           HB2      TYR  27   2.833   0.365  -5.427
  205    HB3  TYR  27           HB1      TYR  27   1.188   0.617  -5.932
  206    HD1  TYR  27           HD1      TYR  27   0.678   2.579  -7.196
  207    HD2  TYR  27           HD2      TYR  27   4.346   2.392  -5.052
  208    HE1  TYR  27           HE1      TYR  27   1.468   4.619  -8.323
  209    HE2  TYR  27           HE2      TYR  27   5.121   4.397  -6.160
  210    HH   TYR  27           HH       TYR  27   4.729   5.576  -8.173
  211    H    CYS  28           H        CYS  28   3.620  -0.055  -3.381
  212    HA   CYS  28           HA       CYS  28   4.539   1.640  -1.250
  213    HB2  CYS  28           HB2      CYS  28   5.880  -0.716  -2.562
  214    HB3  CYS  28           HB1      CYS  28   6.402   0.073  -1.078
  215    H    ALA  29           H        ALA  29   6.170   2.982  -1.225
  216    HA   ALA  29           HA       ALA  29   7.749   3.495  -3.629
  217    HB1  ALA  29           HB1      ALA  29   7.531   5.933  -3.121
  218    HB2  ALA  29           HB2      ALA  29   6.390   5.534  -1.835
  219    HB3  ALA  29           HB3      ALA  29   5.979   5.189  -3.516
  220    H    TRP  30           H        TRP  30   9.649   5.162  -2.600
  221    HA   TRP  30           HA       TRP  30  10.855   3.384  -0.753
  222    HB2  TRP  30           HB2      TRP  30  11.864   6.029  -1.779
  223    HB3  TRP  30           HB1      TRP  30  12.738   5.036  -0.636
  224    HD1  TRP  30           HD       TRP  30  12.101   5.403  -4.294
  225    HE1  TRP  30           HE1      TRP  30  13.366   3.522  -5.547
  226    HE3  TRP  30           HE3      TRP  30  13.347   2.608  -0.372
  227    HZ2  TRP  30           HZ2      TRP  30  14.725   1.148  -4.919
  228    HZ3  TRP  30           HZ3      TRP  30  14.658   0.484  -0.710
  229    HH2  TRP  30           HH       TRP  30  15.318  -0.207  -2.949
  230    H    ASP  31           H        ASP  31   8.729   5.807  -0.174
  231    HA   ASP  31           HA       ASP  31   9.005   5.522   2.576
  232    HB2  ASP  31           HB2      ASP  31  10.878   7.070   2.200
  233    HB3  ASP  31           HB1      ASP  31   9.760   8.243   1.501
  234    H    PHE  32           H        PHE  32   7.311   6.167   3.545
  235    HA   PHE  32           HA       PHE  32   4.968   6.665   1.992
  236    HB2  PHE  32           HB2      PHE  32   3.779   6.574   4.226
  237    HB3  PHE  32           HB1      PHE  32   4.679   5.140   3.769
  238    HD1  PHE  32           HD1      PHE  32   6.600   4.429   5.036
  239    HD2  PHE  32           HD2      PHE  32   4.549   8.016   6.055
  240    HE1  PHE  32           HE1      PHE  32   7.761   4.472   7.195
  241    HE2  PHE  32           HE2      PHE  32   5.716   8.061   8.221
  242    HZ   PHE  32           HZ       PHE  32   7.320   6.289   8.793
  243    H    THR  33           H        THR  33   7.136   8.761   3.772
  244    HA   THR  33           HA       THR  33   5.150  10.885   3.875
  245    HB   THR  33           HB       THR  33   8.030  10.896   4.869
  246    HG1  THR  33           HG1      THR  33   7.354   9.854   6.580
  247   HG21  THR  33          HG21      THR  33   6.957  13.122   4.680
  248   HG22  THR  33          HG22      THR  33   7.237  12.680   6.365
  249   HG23  THR  33          HG23      THR  33   5.620  12.545   5.676
  250    H    PHE  34           H        PHE  34   7.174   9.622   1.685
  251    HA   PHE  34           HA       PHE  34   8.650  11.650   0.506
  252    HB2  PHE  34           HB2      PHE  34   8.968   9.391  -0.197
  253    HB3  PHE  34           HB1      PHE  34   7.285   9.223  -0.658
  254    HD1  PHE  34           HD1      PHE  34  10.377  11.096  -1.531
  255    HD2  PHE  34           HD2      PHE  34   6.680   9.483  -2.870
  256    HE1  PHE  34           HE1      PHE  34  10.971  11.654  -3.848
  257    HE2  PHE  34           HE2      PHE  34   7.268  10.039  -5.185
  258    HZ   PHE  34           HZ       PHE  34   9.417  11.129  -5.678
  259    H    THR  35           H        THR  35   8.211  13.297  -0.932
  260    HA   THR  35           HA       THR  35   5.776  13.483  -2.360
  261    HB   THR  35           HB       THR  35   4.998  14.234  -0.111
  262    HG1  THR  35           HG1      THR  35   4.026  16.096  -0.818
  263   HG21  THR  35          HG21      THR  35   7.069  15.207   0.732
  264   HG22  THR  35          HG22      THR  35   5.773  16.404   0.781
  265   HG23  THR  35          HG23      THR  35   6.995  16.473  -0.491
  Start of MODEL   19
    1    H1   ASP   1           HT1      ASP   1   7.481 -13.195   2.461
    2    H2   ASP   1           HT2      ASP   1   6.113 -12.193   2.510
    3    H3   ASP   1           HT3      ASP   1   7.530 -11.722   3.273
    4    HA   ASP   1           HA       ASP   1   8.660 -11.467   1.210
    5    HB2  ASP   1           HB2      ASP   1   7.427 -13.204  -0.058
    6    HB3  ASP   1           HB1      ASP   1   5.972 -12.222   0.033
    7    H    CYS   2           H        CYS   2   8.740  -9.303   0.621
    8    HA   CYS   2           HA       CYS   2   6.434  -7.778   1.469
    9    HB2  CYS   2           HB2      CYS   2   7.995  -5.936   1.522
   10    HB3  CYS   2           HB1      CYS   2   8.308  -7.160   2.738
   11    H    ARG   3           H        ARG   3   6.016  -5.966   0.337
   12    HA   ARG   3           HA       ARG   3   5.984  -6.469  -2.513
   13    HB2  ARG   3           HB2      ARG   3   4.014  -5.686  -1.068
   14    HB3  ARG   3           HB1      ARG   3   4.800  -4.118  -1.068
   15    HG2  ARG   3           HG2      ARG   3   3.169  -4.051  -2.746
   16    HG3  ARG   3           HG1      ARG   3   4.733  -4.194  -3.554
   17    HD2  ARG   3           HD2      ARG   3   3.059  -5.659  -4.583
   18    HD3  ARG   3           HD1      ARG   3   4.364  -6.597  -3.862
   19    HE   ARG   3           HE       ARG   3   2.555  -6.504  -1.883
   20   HH11  ARG   3          HH11      ARG   3   2.117  -7.334  -5.292
   21   HH12  ARG   3          HH12      ARG   3   0.934  -8.518  -4.978
   22   HH21  ARG   3          HH21      ARG   3   0.968  -8.107  -1.470
   23   HH22  ARG   3          HH22      ARG   3   0.254  -8.979  -2.759
   24    H    TYR   4           H        TYR   4   7.331  -5.427  -3.961
   25    HA   TYR   4           HA       TYR   4   9.176  -3.527  -2.957
   26    HB2  TYR   4           HB2      TYR   4   8.798  -4.898  -5.602
   27    HB3  TYR   4           HB1      TYR   4  10.073  -3.757  -5.244
   28    HD1  TYR   4           HD1      TYR   4   9.767  -6.959  -5.897
   29    HD2  TYR   4           HD2      TYR   4  11.015  -4.605  -2.542
   30    HE1  TYR   4           HE1      TYR   4  11.143  -8.817  -5.078
   31    HE2  TYR   4           HE2      TYR   4  12.359  -6.414  -1.759
   32    HH   TYR   4           HH       TYR   4  12.354  -8.941  -1.992
   33    H    MET   5           H        MET   5   9.541  -2.031  -5.307
   34    HA   MET   5           HA       MET   5   7.621  -0.030  -4.686
   35    HB2  MET   5           HB2      MET   5  10.121   0.265  -5.364
   36    HB3  MET   5           HB1      MET   5   9.525   0.126  -7.002
   37    HG2  MET   5           HG2      MET   5   8.020   2.013  -6.593
   38    HG3  MET   5           HG1      MET   5   8.666   2.108  -4.955
   39    HE1  MET   5           HE1      MET   5   9.413   4.498  -4.989
   40    HE2  MET   5           HE2      MET   5   8.593   4.690  -6.546
   41    HE3  MET   5           HE3      MET   5  10.245   5.287  -6.319
   42    H    PHE   6           H        PHE   6   6.019   0.775  -5.783
   43    HA   PHE   6           HA       PHE   6   4.322   1.038  -7.166
   44    HB2  PHE   6           HB2      PHE   6   5.957  -0.494  -9.192
   45    HB3  PHE   6           HB1      PHE   6   4.398   0.244  -9.551
   46    HD1  PHE   6           HD1      PHE   6   7.910   0.839  -8.836
   47    HD2  PHE   6           HD2      PHE   6   4.167   2.655  -9.668
   48    HE1  PHE   6           HE1      PHE   6   9.049   2.940  -9.240
   49    HE2  PHE   6           HE2      PHE   6   5.301   4.797 -10.099
   50    HZ   PHE   6           HZ       PHE   6   7.749   4.952  -9.887
   51    H    GLY   7           H        GLY   7   5.160  -1.735  -5.835
   52    HA2  GLY   7           HA2      GLY   7   3.036  -3.373  -6.848
   53    HA3  GLY   7           HA1      GLY   7   4.066  -3.718  -5.457
   54    H    ASP   8           H        ASP   8   1.200  -3.905  -5.724
   55    HA   ASP   8           HA       ASP   8  -0.189  -1.781  -4.504
   56    HB2  ASP   8           HB2      ASP   8  -1.283  -3.332  -5.754
   57    HB3  ASP   8           HB1      ASP   8  -0.809  -4.701  -4.735
   58    H    CYS   9           H        CYS   9  -0.748  -1.347  -2.516
   59    HA   CYS   9           HA       CYS   9   0.085  -3.132  -0.380
   60    HB2  CYS   9           HB2      CYS   9   1.455  -1.484   0.694
   61    HB3  CYS   9           HB1      CYS   9   1.881  -1.666  -1.024
   62    H    GLU  10           H        GLU  10  -0.930  -2.688   1.605
   63    HA   GLU  10           HA       GLU  10  -3.296  -0.946   1.422
   64    HB2  GLU  10           HB2      GLU  10  -2.693  -3.310   3.198
   65    HB3  GLU  10           HB1      GLU  10  -4.216  -2.432   3.113
   66    HG2  GLU  10           HG2      GLU  10  -4.662  -3.231   0.944
   67    HG3  GLU  10           HG1      GLU  10  -3.025  -3.857   0.763
   68    H    LYS  11           H        LYS  11  -0.503  -2.025   3.243
   69    HA   LYS  11           HA       LYS  11  -0.451   0.395   4.784
   70    HB2  LYS  11           HB2      LYS  11   0.108  -1.142   6.798
   71    HB3  LYS  11           HB1      LYS  11  -1.577  -0.903   6.371
   72    HG2  LYS  11           HG2      LYS  11  -1.539  -3.046   5.143
   73    HG3  LYS  11           HG1      LYS  11   0.126  -3.289   5.659
   74    HD2  LYS  11           HD2      LYS  11  -0.501  -3.517   7.912
   75    HD3  LYS  11           HD1      LYS  11  -2.103  -2.837   7.619
   76    HE2  LYS  11           HE2      LYS  11  -2.242  -5.243   7.920
   77    HE3  LYS  11           HE1      LYS  11  -2.694  -4.795   6.283
   78    HZ1  LYS  11           HZ1      LYS  11  -1.330  -6.723   6.261
   79    HZ2  LYS  11           HZ2      LYS  11  -0.131  -6.017   7.161
   80    HZ3  LYS  11           HZ3      LYS  11  -0.426  -5.488   5.560
   81    H    ASP  12           H        ASP  12   1.683   0.399   5.980
   82    HA   ASP  12           HA       ASP  12   3.750   0.081   4.044
   83    HB2  ASP  12           HB2      ASP  12   3.929   0.781   6.976
   84    HB3  ASP  12           HB1      ASP  12   5.290   0.823   5.862
   85    H    GLU  13           H        GLU  13   2.480  -1.912   6.345
   86    HA   GLU  13           HA       GLU  13   4.654  -3.545   7.144
   87    HB2  GLU  13           HB2      GLU  13   2.386  -3.404   8.204
   88    HB3  GLU  13           HB1      GLU  13   1.783  -4.258   6.784
   89    HG2  GLU  13           HG2      GLU  13   3.134  -6.175   7.337
   90    HG3  GLU  13           HG1      GLU  13   3.767  -5.336   8.758
   91    H    ASP  14           H        ASP  14   2.662  -3.350   4.364
   92    HA   ASP  14           HA       ASP  14   3.104  -6.034   3.467
   93    HB2  ASP  14           HB2      ASP  14   1.993  -3.722   1.866
   94    HB3  ASP  14           HB1      ASP  14   1.828  -5.443   1.559
   95    H    CYS  15           H        CYS  15   4.544  -2.934   3.114
   96    HA   CYS  15           HA       CYS  15   6.067  -3.649   0.749
   97    HB2  CYS  15           HB2      CYS  15   6.278  -1.172   2.465
   98    HB3  CYS  15           HB1      CYS  15   6.878  -1.395   0.832
   99    H    CYS  16           H        CYS  16   8.433  -3.441   0.824
  100    HA   CYS  16           HA       CYS  16   9.627  -4.745   2.995
  101    HB2  CYS  16           HB2      CYS  16  10.999  -3.103   0.893
  102    HB3  CYS  16           HB1      CYS  16  11.657  -4.441   1.744
  103    H    LYS  17           H        LYS  17  11.712  -3.671   3.880
  104    HA   LYS  17           HA       LYS  17  10.800  -1.758   5.802
  105    HB2  LYS  17           HB2      LYS  17  13.590  -2.654   5.190
  106    HB3  LYS  17           HB1      LYS  17  13.074  -1.758   6.604
  107    HG2  LYS  17           HG2      LYS  17  12.149  -4.496   5.854
  108    HG3  LYS  17           HG1      LYS  17  13.442  -4.098   6.992
  109    HD2  LYS  17           HD2      LYS  17  10.511  -3.326   7.247
  110    HD3  LYS  17           HD1      LYS  17  11.306  -4.613   8.142
  111    HE2  LYS  17           HE2      LYS  17  11.936  -1.654   8.335
  112    HE3  LYS  17           HE1      LYS  17  11.055  -2.611   9.514
  113    HZ1  LYS  17           HZ1      LYS  17  13.313  -2.325  10.219
  114    HZ2  LYS  17           HZ2      LYS  17  13.921  -2.909   8.789
  115    HZ3  LYS  17           HZ3      LYS  17  13.091  -3.950   9.834
  116    H    HIS  18           H        HIS  18  13.121  -1.632   3.298
  117    HA   HIS  18           HA       HIS  18  13.684   1.155   3.597
  118    HB2  HIS  18           HB2      HIS  18  14.380  -0.750   1.370
  119    HB3  HIS  18           HB1      HIS  18  14.840   0.948   1.344
  120    HD1  HIS  18           HD1      HIS  18  15.971  -2.310   2.584
  121    HD2  HIS  18           HD2      HIS  18  16.563   1.685   3.538
  122    HE1  HIS  18           HE1      HIS  18  18.028  -2.233   4.034
  123    H    LEU  19           H        LEU  19  10.908  -0.104   2.591
  124    HA   LEU  19           HA       LEU  19  10.441   2.126   0.773
  125    HB2  LEU  19           HB2      LEU  19   9.247  -0.634   0.694
  126    HB3  LEU  19           HB1      LEU  19   8.524   0.727  -0.133
  127    HG   LEU  19           HG       LEU  19  10.986   0.878  -1.155
  128   HD11  LEU  19          HD11      LEU  19  11.857  -1.272  -1.684
  129   HD12  LEU  19          HD12      LEU  19  10.597  -2.045  -0.738
  130   HD13  LEU  19          HD13      LEU  19  11.829  -1.052   0.075
  131   HD21  LEU  19          HD21      LEU  19  10.131  -0.323  -3.080
  132   HD22  LEU  19          HD22      LEU  19   8.963   0.816  -2.391
  133   HD23  LEU  19          HD23      LEU  19   8.793  -0.926  -2.097
  134    H    GLY  20           H        GLY  20   7.962   2.448   0.621
  135    HA2  GLY  20           HA2      GLY  20   6.635   2.224   3.177
  136    HA3  GLY  20           HA1      GLY  20   6.978   3.857   2.591
  137    H    CYS  21           H        CYS  21   4.418   2.670   2.927
  138    HA   CYS  21           HA       CYS  21   3.513   2.034   0.231
  139    HB2  CYS  21           HB2      CYS  21   2.778   0.558   1.988
  140    HB3  CYS  21           HB1      CYS  21   2.203   1.908   2.949
  141    H    LYS  22           H        LYS  22   2.899   3.722  -1.016
  142    HA   LYS  22           HA       LYS  22   1.967   6.152   0.209
  143    HB2  LYS  22           HB2      LYS  22   2.000   5.243  -2.665
  144    HB3  LYS  22           HB1      LYS  22   1.286   6.760  -2.157
  145    HG2  LYS  22           HG2      LYS  22   4.034   5.871  -1.815
  146    HG3  LYS  22           HG1      LYS  22   3.529   7.049  -3.066
  147    HD2  LYS  22           HD2      LYS  22   2.690   8.369  -0.950
  148    HD3  LYS  22           HD1      LYS  22   3.797   7.328  -0.067
  149    HE2  LYS  22           HE2      LYS  22   4.473   9.264  -2.280
  150    HE3  LYS  22           HE1      LYS  22   4.887   9.417  -0.579
  151    HZ1  LYS  22           HZ1      LYS  22   6.310   7.399  -0.867
  152    HZ2  LYS  22           HZ2      LYS  22   6.779   8.708  -1.802
  153    HZ3  LYS  22           HZ3      LYS  22   5.943   7.457  -2.524
  154    H    ARG  23           H        ARG  23   0.128   6.207   1.028
  155    HA   ARG  23           HA       ARG  23  -1.714   4.078   0.525
  156    HB2  ARG  23           HB2      ARG  23  -2.166   6.473   2.324
  157    HB3  ARG  23           HB1      ARG  23  -3.093   4.986   2.320
  158    HG2  ARG  23           HG2      ARG  23  -1.757   4.650   4.176
  159    HG3  ARG  23           HG1      ARG  23  -0.754   3.917   2.918
  160    HD2  ARG  23           HD2      ARG  23   0.542   5.984   2.729
  161    HD3  ARG  23           HD1      ARG  23  -0.467   6.734   3.964
  162    HE   ARG  23           HE       ARG  23   1.078   4.330   4.564
  163   HH11  ARG  23          HH11      ARG  23   0.541   7.807   5.064
  164   HH12  ARG  23          HH12      ARG  23   1.638   7.923   6.343
  165   HH21  ARG  23          HH21      ARG  23   2.616   4.527   6.309
  166   HH22  ARG  23          HH22      ARG  23   2.814   6.033   7.105
  167    H    LYS  24           H        LYS  24  -1.048   6.981  -0.815
  168    HA   LYS  24           HA       LYS  24  -3.837   7.554  -1.514
  169    HB2  LYS  24           HB2      LYS  24  -2.351   9.416  -0.826
  170    HB3  LYS  24           HB1      LYS  24  -1.338   9.089  -2.225
  171    HG2  LYS  24           HG2      LYS  24  -3.115   9.696  -3.711
  172    HG3  LYS  24           HG1      LYS  24  -4.231   9.877  -2.356
  173    HD2  LYS  24           HD2      LYS  24  -2.815  11.664  -1.455
  174    HD3  LYS  24           HD1      LYS  24  -1.751  11.506  -2.853
  175    HE2  LYS  24           HE2      LYS  24  -3.531  12.134  -4.337
  176    HE3  LYS  24           HE1      LYS  24  -4.682  12.144  -3.004
  177    HZ1  LYS  24           HZ1      LYS  24  -2.347  13.963  -3.255
  178    HZ2  LYS  24           HZ2      LYS  24  -3.508  13.985  -2.032
  179    HZ3  LYS  24           HZ3      LYS  24  -3.947  14.350  -3.614
  180    H    MET  25           H        MET  25  -1.024   6.124  -2.668
  181    HA   MET  25           HA       MET  25  -2.090   6.097  -5.392
  182    HB2  MET  25           HB2      MET  25   0.733   5.833  -4.401
  183    HB3  MET  25           HB1      MET  25   0.242   5.559  -6.051
  184    HG2  MET  25           HG2      MET  25  -0.042   8.150  -4.547
  185    HG3  MET  25           HG1      MET  25   1.173   7.786  -5.770
  186    HE1  MET  25           HE1      MET  25   0.607   7.408  -8.354
  187    HE2  MET  25           HE2      MET  25  -1.026   7.485  -9.013
  188    HE3  MET  25           HE3      MET  25  -0.572   6.155  -7.951
  189    H    LYS  26           H        LYS  26  -1.702   4.263  -2.670
  190    HA   LYS  26           HA       LYS  26  -2.010   2.181  -2.090
  191    HB2  LYS  26           HB2      LYS  26  -3.256   1.932  -4.834
  192    HB3  LYS  26           HB1      LYS  26  -3.294   0.654  -3.642
  193    HG2  LYS  26           HG2      LYS  26  -5.412   1.831  -3.556
  194    HG3  LYS  26           HG1      LYS  26  -4.478   2.173  -2.092
  195    HD2  LYS  26           HD2      LYS  26  -3.756   4.259  -2.990
  196    HD3  LYS  26           HD1      LYS  26  -4.602   3.974  -4.487
  197    HE2  LYS  26           HE2      LYS  26  -5.935   5.484  -3.094
  198    HE3  LYS  26           HE1      LYS  26  -6.768   3.946  -3.281
  199    HZ1  LYS  26           HZ1      LYS  26  -5.165   4.747  -0.901
  200    HZ2  LYS  26           HZ2      LYS  26  -6.039   3.322  -1.041
  201    HZ3  LYS  26           HZ3      LYS  26  -6.829   4.806  -1.002
  202    H    TYR  27           H        TYR  27   0.388   2.950  -3.270
  203    HA   TYR  27           HA       TYR  27   1.388   0.247  -3.708
  204    HB2  TYR  27           HB2      TYR  27   2.792   0.650  -5.600
  205    HB3  TYR  27           HB1      TYR  27   1.139   1.004  -6.014
  206    HD1  TYR  27           HD1      TYR  27   4.434   2.519  -5.200
  207    HD2  TYR  27           HD2      TYR  27   0.610   3.174  -6.921
  208    HE1  TYR  27           HE1      TYR  27   5.233   4.641  -6.130
  209    HE2  TYR  27           HE2      TYR  27   1.405   5.306  -7.848
  210    HH   TYR  27           HH       TYR  27   3.204   7.004  -7.267
  211    H    CYS  28           H        CYS  28   3.599  -0.049  -3.604
  212    HA   CYS  28           HA       CYS  28   4.668   1.466  -1.392
  213    HB2  CYS  28           HB2      CYS  28   5.941  -0.857  -2.866
  214    HB3  CYS  28           HB1      CYS  28   6.444  -0.191  -1.325
  215    H    ALA  29           H        ALA  29   6.145   2.933  -1.475
  216    HA   ALA  29           HA       ALA  29   7.721   3.350  -3.906
  217    HB1  ALA  29           HB1      ALA  29   6.565   5.438  -2.043
  218    HB2  ALA  29           HB2      ALA  29   6.001   5.089  -3.675
  219    HB3  ALA  29           HB3      ALA  29   7.612   5.759  -3.429
  220    H    TRP  30           H        TRP  30   9.627   5.119  -2.798
  221    HA   TRP  30           HA       TRP  30  10.883   3.228  -1.060
  222    HB2  TRP  30           HB2      TRP  30  11.910   5.824  -2.173
  223    HB3  TRP  30           HB1      TRP  30  12.837   4.828  -1.063
  224    HD1  TRP  30           HD       TRP  30  12.085   5.206  -4.657
  225    HE1  TRP  30           HE1      TRP  30  13.075   3.215  -5.968
  226    HE3  TRP  30           HE3      TRP  30  13.151   2.306  -0.808
  227    HZ2  TRP  30           HZ2      TRP  30  14.187   0.687  -5.385
  228    HZ3  TRP  30           HZ3      TRP  30  14.208   0.038  -1.168
  229    HH2  TRP  30           HH       TRP  30  14.703  -0.728  -3.435
  230    H    ASP  31           H        ASP  31   8.695   5.461  -0.365
  231    HA   ASP  31           HA       ASP  31   9.048   5.318   2.343
  232    HB2  ASP  31           HB2      ASP  31   9.461   7.633   2.925
  233    HB3  ASP  31           HB1      ASP  31  10.764   7.089   1.875
  234    H    PHE  32           H        PHE  32   7.380   6.609   3.275
  235    HA   PHE  32           HA       PHE  32   4.977   6.317   1.599
  236    HB2  PHE  32           HB2      PHE  32   3.765   6.115   3.803
  237    HB3  PHE  32           HB1      PHE  32   4.869   4.814   3.385
  238    HD1  PHE  32           HD1      PHE  32   6.460   4.126   4.918
  239    HD2  PHE  32           HD2      PHE  32   4.708   7.979   5.385
  240    HE1  PHE  32           HE1      PHE  32   7.591   4.376   7.078
  241    HE2  PHE  32           HE2      PHE  32   5.841   8.227   7.552
  242    HZ   PHE  32           HZ       PHE  32   7.283   6.422   8.397
  243    H    THR  33           H        THR  33   6.752   8.891   2.439
  244    HA   THR  33           HA       THR  33   4.647  10.455   3.616
  245    HB   THR  33           HB       THR  33   7.430  11.267   2.741
  246    HG1  THR  33           HG1      THR  33   6.368  10.285   5.186
  247   HG21  THR  33          HG21      THR  33   5.879  13.153   3.156
  248   HG22  THR  33          HG22      THR  33   7.138  13.066   4.395
  249   HG23  THR  33          HG23      THR  33   5.512  12.473   4.743
  250    H    PHE  34           H        PHE  34   3.354  11.900   2.521
  251    HA   PHE  34           HA       PHE  34   2.868  11.690  -0.205
  252    HB2  PHE  34           HB2      PHE  34   2.317  14.113   1.527
  253    HB3  PHE  34           HB1      PHE  34   1.639  13.840  -0.063
  254    HD1  PHE  34           HD1      PHE  34   0.414  11.420  -0.217
  255    HD2  PHE  34           HD2      PHE  34   0.958  13.745   3.290
  256    HE1  PHE  34           HE1      PHE  34  -1.544  10.332   0.807
  257    HE2  PHE  34           HE2      PHE  34  -0.986  12.663   4.323
  258    HZ   PHE  34           HZ       PHE  34  -2.242  10.951   3.079
  259    H    THR  35           H        THR  35   4.566  14.306   1.425
  260    HA   THR  35           HA       THR  35   5.754  15.069  -1.146
  261    HB   THR  35           HB       THR  35   5.571  16.692   1.397
  262    HG1  THR  35           HG1      THR  35   3.856  16.397  -0.845
  263   HG21  THR  35          HG21      THR  35   7.359  17.388  -0.156
  264   HG22  THR  35          HG22      THR  35   6.066  18.586  -0.099
  265   HG23  THR  35          HG23      THR  35   6.181  17.478  -1.466
  Start of MODEL   20
    1    H1   ASP   1           HT1      ASP   1   5.471 -12.497   0.409
    2    H2   ASP   1           HT2      ASP   1   5.989 -12.290   1.974
    3    H3   ASP   1           HT3      ASP   1   6.644 -13.534   1.030
    4    HA   ASP   1           HA       ASP   1   8.160 -11.628   1.213
    5    HB2  ASP   1           HB2      ASP   1   8.610 -11.341  -1.161
    6    HB3  ASP   1           HB1      ASP   1   8.082 -12.994  -0.905
    7    H    CYS   2           H        CYS   2   8.529  -9.324   0.626
    8    HA   CYS   2           HA       CYS   2   6.113  -7.791   1.113
    9    HB2  CYS   2           HB2      CYS   2   7.712  -5.956   1.321
   10    HB3  CYS   2           HB1      CYS   2   7.892  -7.218   2.525
   11    H    ARG   3           H        ARG   3   5.884  -5.831   0.039
   12    HA   ARG   3           HA       ARG   3   6.124  -6.243  -2.839
   13    HB2  ARG   3           HB2      ARG   3   4.637  -4.063  -1.375
   14    HB3  ARG   3           HB1      ARG   3   4.432  -4.549  -3.056
   15    HG2  ARG   3           HG2      ARG   3   3.676  -6.098  -0.593
   16    HG3  ARG   3           HG1      ARG   3   2.592  -5.376  -1.782
   17    HD2  ARG   3           HD2      ARG   3   3.321  -6.933  -3.465
   18    HD3  ARG   3           HD1      ARG   3   4.585  -7.545  -2.399
   19    HE   ARG   3           HE       ARG   3   1.819  -7.740  -1.573
   20   HH11  ARG   3          HH11      ARG   3   4.703  -9.344  -2.822
   21   HH12  ARG   3          HH12      ARG   3   4.343 -10.888  -2.234
   22   HH21  ARG   3          HH21      ARG   3   1.245  -9.893  -0.750
   23   HH22  ARG   3          HH22      ARG   3   2.242 -11.232  -1.086
   24    H    TYR   4           H        TYR   4   7.477  -5.078  -4.088
   25    HA   TYR   4           HA       TYR   4   9.181  -3.232  -2.814
   26    HB2  TYR   4           HB2      TYR   4   8.995  -4.346  -5.590
   27    HB3  TYR   4           HB1      TYR   4  10.166  -3.176  -5.089
   28    HD1  TYR   4           HD1      TYR   4   9.739  -6.572  -5.594
   29    HD2  TYR   4           HD2      TYR   4  11.451  -3.865  -2.774
   30    HE1  TYR   4           HE1      TYR   4  11.255  -8.338  -4.795
   31    HE2  TYR   4           HE2      TYR   4  12.941  -5.593  -1.998
   32    HH   TYR   4           HH       TYR   4  13.032  -8.021  -1.934
   33    H    MET   5           H        MET   5   9.642  -1.480  -4.806
   34    HA   MET   5           HA       MET   5   7.547   0.394  -4.405
   35    HB2  MET   5           HB2      MET   5  10.080   0.802  -5.055
   36    HB3  MET   5           HB1      MET   5   9.467   0.652  -6.695
   37    HG2  MET   5           HG2      MET   5   7.855   2.451  -6.229
   38    HG3  MET   5           HG1      MET   5   8.570   2.611  -4.625
   39    HE1  MET   5           HE1      MET   5   9.325   5.020  -4.662
   40    HE2  MET   5           HE2      MET   5   8.302   5.161  -6.102
   41    HE3  MET   5           HE3      MET   5   9.937   5.851  -6.090
   42    H    PHE   6           H        PHE   6   5.829   0.856  -5.559
   43    HA   PHE   6           HA       PHE   6   4.227   0.876  -7.111
   44    HB2  PHE   6           HB2      PHE   6   6.079  -0.682  -8.949
   45    HB3  PHE   6           HB1      PHE   6   4.524  -0.004  -9.423
   46    HD1  PHE   6           HD1      PHE   6   4.238   2.470  -9.463
   47    HD2  PHE   6           HD2      PHE   6   8.022   0.643  -8.839
   48    HE1  PHE   6           HE1      PHE   6   5.354   4.594  -9.993
   49    HE2  PHE   6           HE2      PHE   6   9.143   2.745  -9.353
   50    HZ   PHE   6           HZ       PHE   6   7.809   4.738  -9.941
   51    H    GLY   7           H        GLY   7   5.195  -1.654  -5.400
   52    HA2  GLY   7           HA2      GLY   7   3.227  -3.561  -6.363
   53    HA3  GLY   7           HA1      GLY   7   4.238  -3.729  -4.931
   54    H    ASP   8           H        ASP   8   1.349  -4.078  -5.243
   55    HA   ASP   8           HA       ASP   8  -0.074  -1.841  -4.213
   56    HB2  ASP   8           HB2      ASP   8  -1.163  -3.440  -5.439
   57    HB3  ASP   8           HB1      ASP   8  -0.766  -4.760  -4.332
   58    H    CYS   9           H        CYS   9  -0.798  -1.357  -2.231
   59    HA   CYS   9           HA       CYS   9   0.007  -3.056  -0.024
   60    HB2  CYS   9           HB2      CYS   9   1.396  -1.386   1.005
   61    HB3  CYS   9           HB1      CYS   9   1.867  -1.686  -0.684
   62    H    GLU  10           H        GLU  10  -1.024  -2.519   1.942
   63    HA   GLU  10           HA       GLU  10  -3.171  -0.522   1.736
   64    HB2  GLU  10           HB2      GLU  10  -2.928  -2.903   3.558
   65    HB3  GLU  10           HB1      GLU  10  -4.298  -1.820   3.447
   66    HG2  GLU  10           HG2      GLU  10  -4.833  -2.610   1.253
   67    HG3  GLU  10           HG1      GLU  10  -3.358  -3.574   1.195
   68    H    LYS  11           H        LYS  11  -0.526  -1.946   3.601
   69    HA   LYS  11           HA       LYS  11  -0.270   0.537   5.034
   70    HB2  LYS  11           HB2      LYS  11   0.215  -0.668   7.145
   71    HB3  LYS  11           HB1      LYS  11  -1.452  -0.826   6.642
   72    HG2  LYS  11           HG2      LYS  11  -0.978  -3.094   5.827
   73    HG3  LYS  11           HG1      LYS  11   0.705  -2.910   6.330
   74    HD2  LYS  11           HD2      LYS  11   0.025  -2.612   8.624
   75    HD3  LYS  11           HD1      LYS  11  -1.677  -2.711   8.175
   76    HE2  LYS  11           HE2      LYS  11   0.377  -4.920   7.926
   77    HE3  LYS  11           HE1      LYS  11  -0.856  -4.804   9.172
   78    HZ1  LYS  11           HZ1      LYS  11  -1.563  -6.315   7.490
   79    HZ2  LYS  11           HZ2      LYS  11  -1.282  -5.231   6.275
   80    HZ3  LYS  11           HZ3      LYS  11  -2.538  -4.947   7.374
   81    H    ASP  12           H        ASP  12   1.924   0.237   6.356
   82    HA   ASP  12           HA       ASP  12   3.819   0.052   4.211
   83    HB2  ASP  12           HB2      ASP  12   4.351   0.493   7.147
   84    HB3  ASP  12           HB1      ASP  12   5.521   0.703   5.852
   85    H    GLU  13           H        GLU  13   2.645  -2.117   6.466
   86    HA   GLU  13           HA       GLU  13   4.802  -3.884   6.936
   87    HB2  GLU  13           HB2      GLU  13   2.511  -3.949   8.030
   88    HB3  GLU  13           HB1      GLU  13   1.958  -4.577   6.472
   89    HG2  GLU  13           HG2      GLU  13   2.254  -6.360   8.140
   90    HG3  GLU  13           HG1      GLU  13   3.260  -6.561   6.709
   91    H    ASP  14           H        ASP  14   2.490  -3.504   4.361
   92    HA   ASP  14           HA       ASP  14   2.944  -5.926   3.005
   93    HB2  ASP  14           HB2      ASP  14   1.979  -3.278   1.899
   94    HB3  ASP  14           HB1      ASP  14   1.945  -4.829   1.073
   95    H    CYS  15           H        CYS  15   4.555  -2.881   2.988
   96    HA   CYS  15           HA       CYS  15   6.100  -3.481   0.619
   97    HB2  CYS  15           HB2      CYS  15   6.392  -1.171   2.506
   98    HB3  CYS  15           HB1      CYS  15   6.928  -1.281   0.841
   99    H    CYS  16           H        CYS  16   8.377  -3.496   0.681
  100    HA   CYS  16           HA       CYS  16   9.591  -4.914   2.749
  101    HB2  CYS  16           HB2      CYS  16  10.921  -3.283   0.599
  102    HB3  CYS  16           HB1      CYS  16  11.608  -4.595   1.470
  103    H    LYS  17           H        LYS  17  11.884  -3.943   3.478
  104    HA   LYS  17           HA       LYS  17  11.156  -2.226   5.650
  105    HB2  LYS  17           HB2      LYS  17  13.928  -2.910   4.746
  106    HB3  LYS  17           HB1      LYS  17  13.440  -2.328   6.317
  107    HG2  LYS  17           HG2      LYS  17  12.771  -5.013   5.140
  108    HG3  LYS  17           HG1      LYS  17  14.046  -4.655   6.288
  109    HD2  LYS  17           HD2      LYS  17  12.307  -5.555   7.625
  110    HD3  LYS  17           HD1      LYS  17  12.110  -3.816   7.817
  111    HE2  LYS  17           HE2      LYS  17  10.304  -3.855   6.114
  112    HE3  LYS  17           HE1      LYS  17  10.545  -5.583   5.931
  113    HZ1  LYS  17           HZ1      LYS  17   9.744  -4.276   8.457
  114    HZ2  LYS  17           HZ2      LYS  17   9.825  -5.932   8.155
  115    HZ3  LYS  17           HZ3      LYS  17   8.678  -4.983   7.367
  116    H    HIS  18           H        HIS  18  13.296  -1.777   3.005
  117    HA   HIS  18           HA       HIS  18  13.825   0.995   3.575
  118    HB2  HIS  18           HB2      HIS  18  14.403  -0.619   1.080
  119    HB3  HIS  18           HB1      HIS  18  14.927   1.040   1.310
  120    HD1  HIS  18           HD1      HIS  18  17.276   1.228   2.185
  121    HD2  HIS  18           HD2      HIS  18  15.494  -2.367   3.251
  122    HE1  HIS  18           HE1      HIS  18  19.050  -0.112   3.369
  123    H    LEU  19           H        LEU  19  10.976  -0.052   2.795
  124    HA   LEU  19           HA       LEU  19  10.358   2.076   0.856
  125    HB2  LEU  19           HB2      LEU  19   9.152  -0.691   1.037
  126    HB3  LEU  19           HB1      LEU  19   8.616   0.582  -0.030
  127    HG   LEU  19           HG       LEU  19  11.399  -0.578  -0.210
  128   HD11  LEU  19          HD11      LEU  19   8.957  -1.287  -1.789
  129   HD12  LEU  19          HD12      LEU  19   9.685  -2.324  -0.562
  130   HD13  LEU  19          HD13      LEU  19  10.594  -1.887  -2.027
  131   HD21  LEU  19          HD21      LEU  19   9.678   0.973  -2.118
  132   HD22  LEU  19          HD22      LEU  19  11.270   0.294  -2.456
  133   HD23  LEU  19          HD23      LEU  19  11.102   1.572  -1.256
  134    H    GLY  20           H        GLY  20   7.902   2.370   0.877
  135    HA2  GLY  20           HA2      GLY  20   6.629   1.960   3.445
  136    HA3  GLY  20           HA1      GLY  20   6.896   3.638   2.949
  137    H    CYS  21           H        CYS  21   4.333   2.782   3.232
  138    HA   CYS  21           HA       CYS  21   3.463   2.035   0.526
  139    HB2  CYS  21           HB2      CYS  21   2.595   0.638   2.292
  140    HB3  CYS  21           HB1      CYS  21   1.986   2.041   3.157
  141    H    LYS  22           H        LYS  22   2.543   3.452  -0.824
  142    HA   LYS  22           HA       LYS  22   1.699   5.979   0.289
  143    HB2  LYS  22           HB2      LYS  22   2.607   5.199  -2.408
  144    HB3  LYS  22           HB1      LYS  22   1.356   6.434  -2.331
  145    HG2  LYS  22           HG2      LYS  22   3.873   6.540  -0.755
  146    HG3  LYS  22           HG1      LYS  22   3.723   7.275  -2.366
  147    HD2  LYS  22           HD2      LYS  22   1.920   7.903  -0.014
  148    HD3  LYS  22           HD1      LYS  22   3.356   8.856  -0.388
  149    HE2  LYS  22           HE2      LYS  22   2.358   9.318  -2.633
  150    HE3  LYS  22           HE1      LYS  22   0.908   8.455  -2.125
  151    HZ1  LYS  22           HZ1      LYS  22   0.619  10.115  -0.344
  152    HZ2  LYS  22           HZ2      LYS  22   0.652  10.863  -1.839
  153    HZ3  LYS  22           HZ3      LYS  22   2.001  10.916  -0.866
  154    H    ARG  23           H        ARG  23  -0.144   6.114   0.920
  155    HA   ARG  23           HA       ARG  23  -2.174   4.276   0.276
  156    HB2  ARG  23           HB2      ARG  23  -2.165   6.769   1.931
  157    HB3  ARG  23           HB1      ARG  23  -3.625   5.843   1.657
  158    HG2  ARG  23           HG2      ARG  23  -2.728   5.260   3.772
  159    HG3  ARG  23           HG1      ARG  23  -2.509   3.888   2.676
  160    HD2  ARG  23           HD2      ARG  23  -0.142   4.493   2.459
  161    HD3  ARG  23           HD1      ARG  23  -0.410   5.877   3.521
  162    HE   ARG  23           HE       ARG  23  -1.370   3.699   4.856
  163   HH11  ARG  23          HH11      ARG  23   1.856   4.629   3.667
  164   HH12  ARG  23          HH12      ARG  23   2.681   3.862   4.949
  165   HH21  ARG  23          HH21      ARG  23  -0.169   2.682   6.614
  166   HH22  ARG  23          HH22      ARG  23   1.552   2.801   6.601
  167    H    LYS  24           H        LYS  24  -1.218   7.030  -1.243
  168    HA   LYS  24           HA       LYS  24  -3.875   7.770  -2.228
  169    HB2  LYS  24           HB2      LYS  24  -2.348   9.577  -1.675
  170    HB3  LYS  24           HB1      LYS  24  -1.130   8.917  -2.752
  171    HG2  LYS  24           HG2      LYS  24  -2.717   9.311  -4.647
  172    HG3  LYS  24           HG1      LYS  24  -3.761  10.163  -3.509
  173    HD2  LYS  24           HD2      LYS  24  -2.076  11.795  -3.079
  174    HD3  LYS  24           HD1      LYS  24  -0.882  10.872  -3.995
  175    HE2  LYS  24           HE2      LYS  24  -2.272  11.203  -6.018
  176    HE3  LYS  24           HE1      LYS  24  -3.350  12.214  -5.055
  177    HZ1  LYS  24           HZ1      LYS  24  -1.756  13.514  -6.316
  178    HZ2  LYS  24           HZ2      LYS  24  -0.478  12.747  -5.545
  179    HZ3  LYS  24           HZ3      LYS  24  -1.520  13.729  -4.659
  180    H    MET  25           H        MET  25  -1.090   6.010  -3.076
  181    HA   MET  25           HA       MET  25  -1.952   5.932  -5.871
  182    HB2  MET  25           HB2      MET  25   0.809   5.246  -4.834
  183    HB3  MET  25           HB1      MET  25   0.264   5.473  -6.462
  184    HG2  MET  25           HG2      MET  25   0.497   7.631  -4.390
  185    HG3  MET  25           HG1      MET  25   1.545   7.384  -5.781
  186    HE1  MET  25           HE1      MET  25   0.681   7.680  -8.319
  187    HE2  MET  25           HE2      MET  25  -0.930   8.258  -8.739
  188    HE3  MET  25           HE3      MET  25  -0.726   6.655  -8.031
  189    H    LYS  26           H        LYS  26  -1.786   4.185  -3.029
  190    HA   LYS  26           HA       LYS  26  -2.137   2.082  -2.378
  191    HB2  LYS  26           HB2      LYS  26  -3.112   1.551  -5.195
  192    HB3  LYS  26           HB1      LYS  26  -3.389   0.537  -3.799
  193    HG2  LYS  26           HG2      LYS  26  -4.508   3.284  -4.282
  194    HG3  LYS  26           HG1      LYS  26  -5.393   1.759  -4.139
  195    HD2  LYS  26           HD2      LYS  26  -4.619   1.555  -1.816
  196    HD3  LYS  26           HD1      LYS  26  -3.765   3.087  -2.008
  197    HE2  LYS  26           HE2      LYS  26  -5.924   4.198  -2.460
  198    HE3  LYS  26           HE1      LYS  26  -6.747   2.668  -2.151
  199    HZ1  LYS  26           HZ1      LYS  26  -6.743   4.132  -0.205
  200    HZ2  LYS  26           HZ2      LYS  26  -5.071   4.147  -0.221
  201    HZ3  LYS  26           HZ3      LYS  26  -5.887   2.706   0.113
  202    H    TYR  27           H        TYR  27   0.323   2.834  -3.291
  203    HA   TYR  27           HA       TYR  27   1.365   0.187  -3.657
  204    HB2  TYR  27           HB2      TYR  27   2.820   0.529  -5.517
  205    HB3  TYR  27           HB1      TYR  27   1.180   0.841  -6.006
  206    HD1  TYR  27           HD1      TYR  27   4.273   2.655  -4.861
  207    HD2  TYR  27           HD2      TYR  27   0.830   2.759  -7.364
  208    HE1  TYR  27           HE1      TYR  27   5.116   4.680  -5.905
  209    HE2  TYR  27           HE2      TYR  27   1.671   4.828  -8.398
  210    HH   TYR  27           HH       TYR  27   3.236   6.625  -7.984
  211    H    CYS  28           H        CYS  28   3.547  -0.035  -3.450
  212    HA   CYS  28           HA       CYS  28   4.495   1.487  -1.228
  213    HB2  CYS  28           HB2      CYS  28   5.848  -0.713  -2.779
  214    HB3  CYS  28           HB1      CYS  28   6.393  -0.058  -1.238
  215    H    ALA  29           H        ALA  29   5.970   2.949  -1.126
  216    HA   ALA  29           HA       ALA  29   7.484   3.755  -3.497
  217    HB1  ALA  29           HB1      ALA  29   7.284   6.086  -2.649
  218    HB2  ALA  29           HB2      ALA  29   6.239   5.503  -1.350
  219    HB3  ALA  29           HB3      ALA  29   5.710   5.380  -3.030
  220    H    TRP  30           H        TRP  30   9.206   5.566  -2.009
  221    HA   TRP  30           HA       TRP  30  10.681   3.486  -0.671
  222    HB2  TRP  30           HB2      TRP  30  11.524   6.292  -1.403
  223    HB3  TRP  30           HB1      TRP  30  12.530   5.190  -0.477
  224    HD1  TRP  30           HD       TRP  30  11.581   6.001  -3.986
  225    HE1  TRP  30           HE1      TRP  30  12.675   4.293  -5.578
  226    HE3  TRP  30           HE3      TRP  30  13.142   2.774  -0.593
  227    HZ2  TRP  30           HZ2      TRP  30  14.045   1.802  -5.367
  228    HZ3  TRP  30           HZ3      TRP  30  14.382   0.683  -1.272
  229    HH2  TRP  30           HH       TRP  30  14.807   0.239  -3.635
  230    H    ASP  31           H        ASP  31   8.434   5.595   0.317
  231    HA   ASP  31           HA       ASP  31   8.755   5.006   2.994
  232    HB2  ASP  31           HB2      ASP  31  10.427   6.820   2.766
  233    HB3  ASP  31           HB1      ASP  31   9.208   7.875   2.061
  234    H    PHE  32           H        PHE  32   6.897   6.303   3.962
  235    HA   PHE  32           HA       PHE  32   4.630   5.951   2.213
  236    HB2  PHE  32           HB2      PHE  32   3.249   6.620   4.206
  237    HB3  PHE  32           HB1      PHE  32   4.282   5.226   4.463
  238    HD1  PHE  32           HD1      PHE  32   3.859   8.819   5.204
  239    HD2  PHE  32           HD2      PHE  32   5.946   5.243   6.105
  240    HE1  PHE  32           HE1      PHE  32   4.788   9.869   7.221
  241    HE2  PHE  32           HE2      PHE  32   6.881   6.281   8.113
  242    HZ   PHE  32           HZ       PHE  32   6.305   8.602   8.675
  243    H    THR  33           H        THR  33   6.670   8.465   2.984
  244    HA   THR  33           HA       THR  33   4.800  10.563   2.293
  245    HB   THR  33           HB       THR  33   7.750  10.774   2.842
  246    HG1  THR  33           HG1      THR  33   7.015   9.783   4.615
  247   HG21  THR  33          HG21      THR  33   6.643  12.775   1.944
  248   HG22  THR  33          HG22      THR  33   7.124  13.033   3.622
  249   HG23  THR  33          HG23      THR  33   5.439  12.687   3.229
  250    H    PHE  34           H        PHE  34   4.543  10.889   0.144
  251    HA   PHE  34           HA       PHE  34   6.812  11.208  -1.587
  252    HB2  PHE  34           HB2      PHE  34   6.292   8.740  -1.665
  253    HB3  PHE  34           HB1      PHE  34   4.671   9.149  -2.192
  254    HD1  PHE  34           HD1      PHE  34   4.209   9.606  -4.460
  255    HD2  PHE  34           HD2      PHE  34   8.227   9.222  -3.133
  256    HE1  PHE  34           HE1      PHE  34   4.968   9.505  -6.801
  257    HE2  PHE  34           HE2      PHE  34   8.998   9.126  -5.465
  258    HZ   PHE  34           HZ       PHE  34   7.369   9.268  -7.303
  259    H    THR  35           H        THR  35   6.306  12.984  -2.712
  260    HA   THR  35           HA       THR  35   3.495  13.799  -2.814
  261    HB   THR  35           HB       THR  35   5.974  15.461  -3.308
  262    HG1  THR  35           HG1      THR  35   6.042  15.132  -1.210
  263   HG21  THR  35          HG21      THR  35   3.087  16.265  -2.865
  264   HG22  THR  35          HG22      THR  35   3.936  16.326  -4.409
  265   HG23  THR  35          HG23      THR  35   4.443  17.374  -3.083