*HEADER    ANTIMICROBIAL PROTEIN                   26-JUN-19   6PIN              
*TITLE     NMR SOLUTION STRUCTURE OF CYCLIC TACHYPLESIN I                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN-1;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TACHYPLESIN I;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS;                         
*SOURCE   4 ORGANISM_COMMON: JAPANESE HORSESHOE CRAB;                            
*SOURCE   5 ORGANISM_TAXID: 6853                                                 
*KEYWDS    DEFENSE PEPTIDE, CYCLIC PEPTIDE, ANTIMICROBIAL PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,S.TROEIRA HENRIQUES,F.VERNEN                               
*REVDAT   1   11-SEP-19 6PIN    0                                                
# Restraints file 1: cT1restraintspdb.tbl
!distance restraints
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.170    0.370    0.370  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.440    0.640    0.640  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.115    0.315    0.315  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.120    0.320    0.320  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.270    0.470    0.470  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.105    0.305    0.305  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.145    0.345    0.345  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.115    0.315    0.315  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.125    0.325    0.325  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.155    0.355    0.355  
assign (resid   1 and name   HN)   (resid  18 and name  HA1)   2.200    0.400    0.400  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.440    0.640    0.640  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.130    0.330    0.330  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.200    0.400    0.400  
assign (resid   1 and name   HN)   (resid  18 and name  HA2)   2.670    0.870    0.870  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.420    0.620    0.620  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.445    0.645    0.645  
assign (resid   2 and name  HB2)   (resid   2 and name  HD1)   2.610    0.810    0.810  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.515    0.715    0.715  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.825    1.025    1.025  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.895    1.095    1.095  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.440    0.640    0.640  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.890    1.090    1.090  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.315    0.515    0.515  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.835    1.035    1.035  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.860    1.060    1.060  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.545    0.745    0.745  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.330    0.530    0.530  
assign (resid   1 and name   HN)   (resid   1 and name  HB1)   2.785    0.985    0.985  
assign (resid   1 and name   HN)   (resid   1 and name  HG2)   2.805    1.005    1.005  
assign (resid   1 and name   HN)   (resid   1 and name  HG1)   2.805    1.005    1.005  
assign (resid   1 and name   HA)   (resid   1 and name  HG2)   2.950    1.150    1.150  
assign (resid   1 and name   HA)   (resid   1 and name  HG1)   2.950    1.150    1.150  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.420    1.620    1.620  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   3.420    1.620    1.620  
assign (resid   1 and name  HG2)   (resid   2 and name   HN)   3.315    1.515    1.515  
assign (resid   1 and name  HG1)   (resid   2 and name   HN)   3.315    1.515    1.515  
assign (resid   5 and name   HA)   (resid   5 and name  HG2)   2.765    0.965    0.965  
assign (resid   5 and name   HA)   (resid   5 and name  HG1)   2.765    0.965    0.965  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.860    1.060    1.060  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.470    0.670    0.670  
assign (resid   1 and name   HN)   (resid   2 and name  HB2)   3.375    1.575    1.575  
assign (resid  15 and name   HA)   (resid  15 and name  HG2)   2.750    0.950    0.950  
assign (resid  15 and name  HB2)   (resid  15 and name   HE)   3.310    1.510    1.510  
assign (resid  15 and name  HB1)   (resid  15 and name   HE)   3.015    1.215    1.215  
assign (resid  15 and name   HA)   (resid  15 and name   HE)   3.520    1.720    1.720  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.445    0.645    0.645  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.445    0.645    0.645  
assign (resid   5 and name  HB1)   (resid   5 and name   HE)   3.385    1.585    1.585  
assign (resid   5 and name   HA)   (resid   5 and name   HE)   3.530    1.730    1.730  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.610    0.810    0.810  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.060    1.260    1.260  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   3.000    1.200    1.200  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   3.000    1.200    1.200  
assign (resid   9 and name   HN)   (resid   9 and name  HG2)   2.790    0.990    0.990  
assign (resid   9 and name   HN)   (resid   9 and name  HG1)   2.790    0.990    0.990  
assign (resid   9 and name   HA)   (resid   9 and name   HE)   3.650    1.850    1.850  
assign (resid   9 and name  HB2)   (resid   9 and name   HE)   3.525    1.725    1.725  
assign (resid   9 and name  HB1)   (resid   9 and name   HE)   3.525    1.725    1.725  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.410    0.610    0.610  
assign (resid  11 and name   HN)   (resid  11 and name HG12)   2.705    0.905    0.905  
assign (resid  11 and name   HN)   (resid  11 and name HG11)   2.705    0.905    0.905  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   2.610    0.810    0.810  
assign (resid  13 and name   HN)   (resid  13 and name  HE#)   3.445    1.645    1.645  
assign (resid  14 and name   HN)   (resid  14 and name  HG2)   3.405    1.605    1.605  
assign (resid  14 and name   HA)   (resid  14 and name   HE)   3.160    1.360    1.360  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.120    1.320    1.320  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.695    0.895    0.895  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.695    0.895    0.895  
assign (resid  17 and name  HB2)   (resid  17 and name   HE)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  17 and name   HE)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  17 and name   HE)   3.650    1.850    1.850  
assign (resid  15 and name  HG1)   (resid  15 and name   HE)   2.910    1.110    1.110  
assign (resid  15 and name  HG2)   (resid  15 and name   HE)   2.785    0.985    0.985  
assign (resid   5 and name  HD2)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HD1)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  17 and name   HN)   2.990    1.190    1.190  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.115    1.315    1.315  
assign (resid   2 and name  HB2)   (resid   2 and name  HE3)   2.780    0.980    0.980  
assign (resid   2 and name  HB1)   (resid   2 and name  HE3)   2.530    0.730    0.730  
assign (resid   2 and name   HN)   (resid  18 and name  HA2)   3.615    1.815    1.815  
assign (resid   2 and name   HN)   (resid  18 and name  HA1)   2.880    1.080    1.080  
assign (resid   3 and name   HA)   (resid   4 and name  HD#)   2.740    0.940    0.940  
assign (resid   1 and name   HN)   (resid   1 and name  HB2)   2.785    0.985    0.985  
assign (resid  15 and name   HN)   (resid  15 and name  HG2)   2.710    0.910    0.910  
assign (resid   2 and name   HN)   (resid  16 and name  HB1)   3.625    1.825    1.825  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.295    1.495    1.495  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.695    0.895    0.895  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   2.955    1.155    1.155  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   2.955    1.155    1.155  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.440    1.640    1.640  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   5 and name  HG2)   3.300    1.500    1.500  
assign (resid   5 and name   HN)   (resid   5 and name  HG1)   3.300    1.500    1.500  
assign (resid   6 and name   HN)   (resid   7 and name   HA)   3.530    1.730    1.730  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.615    0.815    0.815  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.670    0.870    0.870  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.770    0.970    0.970  
assign (resid   8 and name   HA)   (resid   8 and name  HB2)   2.340    0.540    0.540  
assign (resid   8 and name   HN)   (resid   9 and name   HA)   3.650    1.850    1.850  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.360    1.560    1.560  
assign (resid   9 and name   HA)   (resid   9 and name  HG2)   2.905    1.105    1.105  
assign (resid   9 and name   HA)   (resid   9 and name  HG1)   2.905    1.105    1.105  
assign (resid   9 and name   HA)   (resid   9 and name  HD2)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid   9 and name  HD1)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.610    0.810    0.810  
assign (resid  11 and name   HA)   (resid  11 and name HG11)   2.865    1.065    1.065  
assign (resid  11 and name   HA)   (resid  11 and name HG12)   2.865    1.065    1.065  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.465    0.665    0.665  
assign (resid  11 and name HG2#)   (resid  11 and name HG12)   2.560    0.760    0.760  
assign (resid  11 and name   HB)   (resid  11 and name HD1#)   2.485    0.685    0.685  
assign (resid  11 and name HG2#)   (resid  11 and name HG11)   2.560    0.760    0.760  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.310    0.510    0.510  
assign (resid  11 and name   HN)   (resid  11 and name HD1#)   2.835    1.035    1.035  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   2.900    1.100    1.100  
assign (resid  11 and name   HN)   (resid  12 and name   HA)   3.625    1.825    1.825  
assign (resid  11 and name   HA)   (resid  12 and name   HA)   3.300    1.500    1.500  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.935    1.135    1.135  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.315    1.515    1.515  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.100    1.300    1.300  
assign (resid  14 and name   HN)   (resid  14 and name  HG1)   3.405    1.605    1.605  
assign (resid   5 and name  HG1)   (resid  13 and name   HN)   3.460    1.660    1.660  
assign (resid   6 and name   HB)   (resid  13 and name   HN)   3.180    1.380    1.380  
assign (resid  15 and name   HA)   (resid  15 and name  HD2)   2.840    1.040    1.040  
assign (resid  15 and name   HA)   (resid  15 and name  HD1)   2.840    1.040    1.040  
assign (resid  15 and name  HB1)   (resid  16 and name   HA)   3.195    1.395    1.395  
assign (resid  15 and name  HB2)   (resid  16 and name   HA)   3.450    1.650    1.650  
assign (resid  15 and name  HB1)   (resid  16 and name  HB2)   3.650    1.850    1.850  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.230    1.430    1.430  
assign (resid  17 and name   HN)   (resid  17 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HD1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.400    1.600    1.600  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.400    1.600    1.600  
assign (resid  17 and name   HA)   (resid  17 and name  HG2)   2.890    1.090    1.090  
assign (resid  17 and name   HA)   (resid  17 and name  HG1)   2.890    1.090    1.090  
assign (resid  17 and name   HA)   (resid  17 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  17 and name  HD1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  18 and name  HA2)   2.320    0.520    0.520  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.480    1.680    1.680  
assign (resid  17 and name  HG1)   (resid  18 and name   HN)   3.585    1.785    1.785  
assign (resid  17 and name   HA)   (resid  18 and name  HA1)   3.380    1.580    1.580  
assign (resid  17 and name   HA)   (resid  18 and name  HA2)   3.160    1.360    1.360  
assign (resid   5 and name   HA)   (resid  13 and name   HN)   3.435    1.635    1.635  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.720    0.920    0.920  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   2.680    0.880    0.880  
assign (resid   4 and name  HD#)   (resid   5 and name   HN)   3.030    1.230    1.230  
assign (resid   8 and name  HD#)   (resid   9 and name   HN)   2.990    1.190    1.190  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   3.210    1.410    1.410  
assign (resid   8 and name   HN)   (resid  13 and name  HE#)   3.540    1.740    1.740  
assign (resid   6 and name   HN)   (resid  13 and name   HN)   2.510    0.710    0.710  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.355    0.555    0.555  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   3.055    1.255    1.255  
assign (resid   9 and name   HN)   (resid  11 and name   HN)   3.175    1.375    1.375  
assign (resid   2 and name  HD1)   (resid   3 and name   HN)   3.250    1.450    1.450  
assign (resid   7 and name   HA)   (resid  11 and name   HN)   3.555    1.755    1.755  
assign (resid   6 and name   HN)   (resid  13 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  12 and name  HB1)   3.185    1.385    1.385  
assign (resid   6 and name   HN)   (resid  12 and name  HB2)   3.650    1.850    1.850  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.480    1.680    1.680  
assign (resid   8 and name   HN)   (resid  11 and name   HB)   2.995    1.195    1.195  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   3.080    1.280    1.280  
assign (resid  17 and name  HG2)   (resid  18 and name   HN)   3.585    1.785    1.785  
assign (resid   5 and name  HG2)   (resid  13 and name   HN)   3.460    1.660    1.660  
assign (resid   6 and name   HB)   (resid  15 and name   HN)   3.420    1.620    1.620  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.970    1.170    1.170  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   2.580    0.780    0.780  
assign (resid  11 and name HD1#)   (resid  12 and name   HN)   3.585    1.785    1.785  
assign (resid   6 and name HG1#)   (resid  13 and name   HN)   3.605    1.805    1.805  
assign (resid   6 and name HG2#)   (resid  13 and name   HN)   3.605    1.805    1.805  
assign (resid  11 and name HG2#)   (resid  13 and name   HN)   3.330    1.530    1.530  
assign (resid   8 and name   HN)   (resid  11 and name HG2#)   3.490    1.690    1.690  
assign (resid  11 and name HG2#)   (resid  13 and name  HD#)   2.860    1.060    1.060  
assign (resid   7 and name  HB1)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HB1)   (resid  11 and name   HN)   3.270    1.470    1.470  
assign (resid   7 and name  HB1)   (resid  12 and name   HA)   3.215    1.415    1.415  
assign (resid   7 and name   HA)   (resid  12 and name  HB1)   3.175    1.375    1.375  
assign (resid   7 and name  HB2)   (resid  12 and name   HA)   3.650    1.850    1.850  
assign (resid   8 and name  HB2)   (resid  12 and name   HA)   3.650    1.850    1.850  
assign (resid   8 and name  HB1)   (resid  12 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name HG2#)   (resid  12 and name   HA)   3.225    1.425    1.425  
assign (resid   7 and name   HA)   (resid  13 and name  HD#)   3.650    1.850    1.850  
assign (resid   3 and name   HA)   (resid   4 and name  HE#)   3.565    1.765    1.765  
assign (resid   4 and name  HE#)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid   4 and name  HE#)   (resid  17 and name   HN)   3.090    1.290    1.290  
assign (resid   8 and name   HN)   (resid  10 and name   HN)   3.005    1.205    1.205  
assign (resid   4 and name   HN)   (resid  17 and name   HN)   3.325    1.525    1.525  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   3.230    1.430    1.430  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.250    1.450    1.450  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.435    0.635    0.635  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.140    1.340    1.340  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.320    1.520    1.520  
assign (resid   5 and name  HB2)   (resid   5 and name   HE)   3.385    1.585    1.585  
assign (resid  13 and name  HD#)   (resid  15 and name  HG2)   2.905    1.105    1.105  
assign (resid  11 and name   HB)   (resid  13 and name  HE#)   3.105    1.305    1.305  
assign (resid   4 and name  HD#)   (resid   6 and name   HB)   3.600    1.800    1.800  
assign (resid   6 and name   HB)   (resid  13 and name  HE#)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   3 and name   HA)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid  16 and name   HA)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid  18 and name   HN)   3.620    1.820    1.820  
assign (resid   1 and name   HN)   (resid   2 and name  HB1)   3.490    1.690    1.690  
assign (resid   3 and name   HN)   (resid  17 and name   HN)   3.420    1.620    1.620  
assign (resid   2 and name  HD1)   (resid   4 and name  HD#)   3.450    1.650    1.650  
assign (resid   6 and name   HA)   (resid   7 and name   HA)   3.255    1.455    1.455  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.930    1.130    1.130  
assign (resid   6 and name   HB)   (resid  13 and name  HD#)   3.140    1.340    1.340  
assign (resid  13 and name  HD#)   (resid  15 and name  HB1)   3.295    1.495    1.495  
assign (resid  13 and name  HD#)   (resid  15 and name  HG1)   3.195    1.395    1.395  
assign (resid   7 and name  HB1)   (resid  10 and name   HN)   2.965    1.165    1.165  
assign (resid   7 and name  HB2)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HB1)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  12 and name   HA)   3.265    1.465    1.465  
assign (resid   3 and name   HN)   (resid   4 and name  HD#)   3.310    1.510    1.510  
assign (resid   2 and name  HB2)   (resid   2 and name  HE1)   3.455    1.655    1.655  
assign (resid   7 and name   HA)   (resid  12 and name   HN)   3.225    1.425    1.425  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.460    0.660    0.660  
assign (resid  11 and name   HA)   (resid  11 and name HD1#)   2.920    1.120    1.120  
assign (resid  15 and name   HA)   (resid  15 and name  HG1)   2.860    1.060    1.060  
assign (resid  13 and name  HE#)   (resid  15 and name  HB2)   3.165    1.365    1.365  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.820    1.020    1.020  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.735    0.935    0.935  
assign (resid   7 and name   HA)   (resid  12 and name   HA)   2.255    0.455    0.455  
assign (resid  13 and name  HE#)   (resid  15 and name  HG2)   2.930    1.130    1.130  
assign (resid  13 and name  HE#)   (resid  15 and name  HG1)   3.090    1.290    1.290  
assign (resid  11 and name HG2#)   (resid  13 and name  HE#)   2.805    1.005    1.005  
assign (resid   8 and name  HB2)   (resid  13 and name  HE#)   3.185    1.385    1.385  
assign (resid   8 and name  HB1)   (resid  13 and name  HE#)   3.275    1.475    1.475  
assign (resid  13 and name  HD#)   (resid  15 and name  HB2)   2.855    1.055    1.055  
assign (resid   1 and name   HN)   (resid   1 and name  HB#)   2.355    0.555    0.555  
assign (resid   1 and name   HN)   (resid   1 and name  HG#)   2.500    0.700    0.700  
assign (resid   1 and name   HA)   (resid   1 and name  HG#)   2.670    0.870    0.870  
assign (resid   1 and name  HB#)   (resid   1 and name  HE#)   3.130    1.330    1.330  
assign (resid   1 and name  HB#)   (resid   1 and name  HZ#)   3.570    1.770    1.770  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   3.010    1.210    1.210  
assign (resid   1 and name  HB#)   (resid  18 and name  HA1)   3.310    1.510    1.510  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   3.010    1.210    1.210  
assign (resid   2 and name  HZ2)   (resid   4 and name  HB#)   3.150    1.350    1.350  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.545    0.745    0.745  
assign (resid   4 and name   HA)   (resid   5 and name  HB#)   3.190    1.390    1.390  
assign (resid   4 and name  HE#)   (resid  17 and name  HB#)   2.915    1.115    1.115  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   2.990    1.190    1.190  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   3.315    1.515    1.515  
assign (resid   5 and name  HB#)   (resid   5 and name  HD#)   2.550    0.750    0.750  
assign (resid   5 and name  HB#)   (resid  12 and name  HB1)   3.570    1.770    1.770  
assign (resid   5 and name  HG#)   (resid   5 and name   HE)   2.735    0.935    0.935  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   2.695    0.895    0.895  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   2.580    0.780    0.780  
assign (resid   6 and name   HA)   (resid   6 and name  HG*)   2.445    0.645    0.645  
assign (resid   6 and name  HG*)   (resid   7 and name   HN)   2.620    0.820    0.820  
assign (resid   6 and name  HG*)   (resid   8 and name   HN)   3.445    1.645    1.645  
assign (resid   6 and name  HG*)   (resid  13 and name   HN)   3.270    1.470    1.470  
assign (resid   6 and name  HG*)   (resid  13 and name  HD#)   2.640    0.840    0.840  
assign (resid   8 and name   HA)   (resid   9 and name  HB#)   3.475    1.675    1.675  
assign (resid   8 and name  HD#)   (resid   9 and name  HB#)   2.900    1.100    1.100  
assign (resid   8 and name  HD#)   (resid   9 and name  HG#)   3.370    1.570    1.570  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   2.535    0.735    0.735  
assign (resid   9 and name   HA)   (resid   9 and name  HG#)   2.490    0.690    0.690  
assign (resid   9 and name  HB#)   (resid   9 and name  HD#)   2.545    0.745    0.745  
assign (resid   9 and name  HB#)   (resid   9 and name   HE)   3.160    1.360    1.360  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.980    1.180    1.180  
assign (resid   9 and name  HB#)   (resid  11 and name   HN)   3.180    1.380    1.380  
assign (resid   9 and name  HG#)   (resid   9 and name   HE)   2.630    0.830    0.830  
assign (resid  10 and name   HN)   (resid  10 and name  HA#)   2.185    0.385    0.385  
assign (resid  11 and name   HA)   (resid  11 and name HG1#)   2.615    0.815    0.815  
assign (resid  11 and name HG2#)   (resid  11 and name HG1#)   2.325    0.525    0.525  
assign (resid  11 and name HG1#)   (resid  12 and name   HN)   3.090    1.290    1.290  
assign (resid  13 and name  HD#)   (resid  15 and name  HD#)   3.105    1.305    1.305  
assign (resid  13 and name  HE#)   (resid  15 and name  HD#)   3.115    1.315    1.315  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.275    0.475    0.475  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   2.980    1.180    1.180  
assign (resid  14 and name  HB#)   (resid  14 and name  HD#)   2.565    0.765    0.765  
assign (resid  14 and name  HB#)   (resid  14 and name   HE)   3.560    1.760    1.760  
assign (resid  14 and name  HD#)   (resid  15 and name   HN)   3.285    1.485    1.485  
assign (resid  15 and name  HB1)   (resid  15 and name  HD#)   2.720    0.920    0.920  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.095    1.295    1.295  
assign (resid  17 and name   HA)   (resid  17 and name  HD#)   3.270    1.470    1.470  
assign (resid  17 and name  HB#)   (resid  17 and name  HG#)   2.070    0.270    0.270  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   3.135    1.335    1.335  
assign (resid  17 and name  HG#)   (resid  18 and name   HN)   3.160    1.360    1.360  
assign (resid  17 and name  HG#)   (resid  18 and name  HA1)   3.420    1.620    1.620  
!dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -80.0   40.0 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  140.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -130.0   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  140.0   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -110.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  130.0   30.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -100.0   40.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  130.0   30.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -110.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  130.0   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -130.0   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  140.0   30.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -130.0   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  120.0   30.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0   50.0   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0   40.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0   80.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0    0.0   30.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -95.0   35.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  140.0   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -130.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  140.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0 -120.0   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  140.0   30.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -95.0   35.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  120.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -110.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  130.0   30.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0 -130.0   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  140.0   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name CB   ) (resid 7     and name SG   )    1.0  -60.0   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name 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 SG   )    1.0  -60.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HN       LYS   1  11.651  -0.235   1.731
    2    HA   LYS   1           HA       LYS   1  11.690   2.225   3.374
    3    HB2  LYS   1          2HB       LYS   1  13.400   1.569   0.989
    4    HB3  LYS   1          1HB       LYS   1  13.506   3.018   1.978
    5    HG2  LYS   1          2HG       LYS   1  14.070   1.574   3.903
    6    HG3  LYS   1          1HG       LYS   1  14.121   0.208   2.806
    7    HD2  LYS   1          2HD       LYS   1  15.849   2.672   2.545
    8    HD3  LYS   1          1HD       LYS   1  16.372   1.129   3.214
    9    HE2  LYS   1          2HE       LYS   1  15.918   0.045   1.060
   10    HE3  LYS   1          1HE       LYS   1  15.371   1.585   0.415
   11    HZ1  LYS   1          1HZ       LYS   1  17.632   1.081  -0.233
   12    HZ2  LYS   1          2HZ       LYS   1  18.124   1.047   1.387
   13    HZ3  LYS   1          3HZ       LYS   1  17.569   2.479   0.692
   14    H    TRP   2           HN       TRP   2  10.615   0.657   0.566
   15    HA   TRP   2           HA       TRP   2   9.907   3.125  -0.774
   16    HB2  TRP   2          2HB       TRP   2  10.808   1.226  -2.097
   17    HB3  TRP   2          1HB       TRP   2   9.405   0.272  -1.635
   18    HD1  TRP   2          1HD       TRP   2   9.522   3.907  -3.016
   19    HE1  TRP   2          1HE       TRP   2   8.049   4.010  -5.111
   20    HE3  TRP   2          3HE       TRP   2   8.189  -1.022  -3.311
   21    HZ2  TRP   2          2HZ       TRP   2   6.528   2.245  -6.693
   22    HZ3  TRP   2          3HZ       TRP   2   6.725  -1.729  -5.162
   23    HH2  TRP   2          2HH       TRP   2   5.919  -0.124  -6.815
   24    H    CYS   3           HN       CYS   3   8.068   4.087  -0.613
   25    HA   CYS   3           HA       CYS   3   5.871   2.695   0.735
   26    HB2  CYS   3          2HB       CYS   3   6.496   5.644   0.563
   27    HB3  CYS   3          1HB       CYS   3   5.151   4.914   1.443
   28    H    PHE   4           HN       PHE   4   4.096   2.340  -0.411
   29    HA   PHE   4           HA       PHE   4   3.604   4.006  -2.725
   30    HB2  PHE   4          2HB       PHE   4   3.195   2.041  -4.174
   31    HB3  PHE   4          1HB       PHE   4   4.868   2.176  -3.664
   32    HD1  PHE   4          1HD       PHE   4   5.721   0.619  -1.892
   33    HD2  PHE   4          2HD       PHE   4   1.908   0.127  -3.706
   34    HE1  PHE   4          1HE       PHE   4   5.666  -1.719  -1.139
   35    HE2  PHE   4          2HE       PHE   4   1.852  -2.215  -2.953
   36    HZ   PHE   4           HZ       PHE   4   3.731  -3.138  -1.670
   37    H    ARG   5           HN       ARG   5   1.510   3.697  -3.649
   38    HA   ARG   5           HA       ARG   5  -0.540   3.522  -1.627
   39    HB2  ARG   5          2HB       ARG   5  -0.617   5.306  -3.272
   40    HB3  ARG   5          1HB       ARG   5  -0.587   4.138  -4.583
   41    HG2  ARG   5          2HG       ARG   5  -2.785   3.317  -3.900
   42    HG3  ARG   5          1HG       ARG   5  -2.807   4.489  -2.582
   43    HD2  ARG   5          2HD       ARG   5  -2.741   6.310  -4.134
   44    HD3  ARG   5          1HD       ARG   5  -2.554   5.192  -5.493
   45    HE   ARG   5           HE       ARG   5  -4.797   4.326  -4.658
   46   HH11  ARG   5          1HH1      ARG   5  -3.850   7.757  -4.668
   47   HH12  ARG   5          2HH1      ARG   5  -5.442   8.340  -4.775
   48   HH21  ARG   5          1HH2      ARG   5  -6.975   5.144  -4.836
   49   HH22  ARG   5          2HH2      ARG   5  -7.268   6.819  -4.881
   50    H    VAL   6           HN       VAL   6  -1.727   1.767  -1.242
   51    HA   VAL   6           HA       VAL   6  -1.592  -0.447  -3.163
   52    HB   VAL   6           HB       VAL   6  -2.160  -0.645  -0.196
   53   HG11  VAL   6          1HG1      VAL   6  -1.736  -3.040  -0.506
   54   HG12  VAL   6          2HG1      VAL   6  -1.491  -2.765  -2.231
   55   HG13  VAL   6          3HG1      VAL   6  -3.071  -2.466  -1.507
   56   HG21  VAL   6          1HG2      VAL   6   0.114  -1.543   0.086
   57   HG22  VAL   6          2HG2      VAL   6   0.131   0.132  -0.465
   58   HG23  VAL   6          3HG2      VAL   6   0.457  -1.172  -1.603
   59    H    CYS   7           HN       CYS   7  -3.464  -0.667  -4.173
   60    HA   CYS   7           HA       CYS   7  -5.856   0.132  -2.730
   61    HB2  CYS   7          2HB       CYS   7  -5.352   0.025  -5.704
   62    HB3  CYS   7          1HB       CYS   7  -6.908   0.375  -4.950
   63    H    TYR   8           HN       TYR   8  -6.939  -1.382  -1.994
   64    HA   TYR   8           HA       TYR   8  -6.879  -4.019  -3.254
   65    HB2  TYR   8          2HB       TYR   8  -5.792  -4.001  -1.070
   66    HB3  TYR   8          1HB       TYR   8  -7.183  -3.158  -0.402
   67    HD1  TYR   8          1HD       TYR   8  -6.259  -6.405  -2.007
   68    HD2  TYR   8          2HD       TYR   8  -8.862  -4.324   0.632
   69    HE1  TYR   8          1HE       TYR   8  -7.292  -8.528  -1.359
   70    HE2  TYR   8          2HE       TYR   8  -9.897  -6.419   1.290
   71    HH   TYR   8           HH       TYR   8  -8.585  -9.419   0.604
   72    H    ARG   9           HN       ARG   9  -8.606  -3.910  -4.467
   73    HA   ARG   9           HA       ARG   9 -10.734  -3.782  -5.193
   74    HB2  ARG   9          2HB       ARG   9 -11.188  -4.701  -2.368
   75    HB3  ARG   9          1HB       ARG   9 -12.520  -4.488  -3.496
   76    HG2  ARG   9          2HG       ARG   9 -11.439  -6.079  -5.034
   77    HG3  ARG   9          1HG       ARG   9 -10.169  -6.332  -3.837
   78    HD2  ARG   9          2HD       ARG   9 -13.086  -6.772  -3.269
   79    HD3  ARG   9          1HD       ARG   9 -12.024  -8.035  -3.876
   80    HE   ARG   9           HE       ARG   9 -10.669  -7.617  -1.834
   81   HH11  ARG   9          1HH1      ARG   9 -14.153  -6.859  -1.787
   82   HH12  ARG   9          2HH1      ARG   9 -14.331  -7.206  -0.144
   83   HH21  ARG   9          1HH2      ARG   9 -10.978  -8.165   0.435
   84   HH22  ARG   9          2HH2      ARG   9 -12.503  -7.956   1.148
   85    H    GLY  10           HN       GLY  10  -9.665  -1.363  -4.595
   86    HA2  GLY  10          2HA       GLY  10 -10.685   0.713  -4.984
   87    HA3  GLY  10          1HA       GLY  10 -12.143   0.131  -4.195
   88    H    ILE  11           HN       ILE  11 -10.151  -0.921  -2.062
   89    HA   ILE  11           HA       ILE  11 -10.214   1.486  -0.440
   90    HB   ILE  11           HB       ILE  11  -9.347  -1.341   0.247
   91   HG12  ILE  11          2HG1      ILE  11 -11.951   0.065   0.890
   92   HG13  ILE  11          1HG1      ILE  11 -11.750  -1.171  -0.348
   93   HG21  ILE  11          1HG2      ILE  11  -8.315   0.300   1.711
   94   HG22  ILE  11          2HG2      ILE  11  -9.535  -0.617   2.597
   95   HG23  ILE  11          3HG2      ILE  11  -9.887   1.022   2.050
   96   HD11  ILE  11          1HD1      ILE  11 -11.134  -2.785   1.379
   97   HD12  ILE  11          2HD1      ILE  11 -12.733  -2.096   1.667
   98   HD13  ILE  11          3HD1      ILE  11 -11.348  -1.538   2.609
   99    H    CYS  12           HN       CYS  12  -8.510   2.786  -0.746
  100    HA   CYS  12           HA       CYS  12  -5.925   1.510  -1.257
  101    HB2  CYS  12          2HB       CYS  12  -6.614   4.398  -1.763
  102    HB3  CYS  12          1HB       CYS  12  -5.165   3.552  -2.220
  103    H    TYR  13           HN       TYR  13  -4.328   1.730   0.027
  104    HA   TYR  13           HA       TYR  13  -4.243   3.832   2.010
  105    HB2  TYR  13          2HB       TYR  13  -3.374   1.988   3.652
  106    HB3  TYR  13          1HB       TYR  13  -5.107   2.168   3.436
  107    HD1  TYR  13          1HD       TYR  13  -2.190   0.104   2.360
  108    HD2  TYR  13          2HD       TYR  13  -6.411   0.346   2.750
  109    HE1  TYR  13          1HE       TYR  13  -2.367  -2.270   1.814
  110    HE2  TYR  13          2HE       TYR  13  -6.609  -2.030   2.198
  111    HH   TYR  13           HH       TYR  13  -5.267  -3.744   0.976
  112    H    ARG  14           HN       ARG  14  -2.059   4.243   2.709
  113    HA   ARG  14           HA       ARG  14  -0.178   3.395   0.641
  114    HB2  ARG  14          2HB       ARG  14  -0.542   5.823   0.861
  115    HB3  ARG  14          1HB       ARG  14  -0.059   5.743   2.542
  116    HG2  ARG  14          2HG       ARG  14   1.864   4.875   0.419
  117    HG3  ARG  14          1HG       ARG  14   1.603   6.592   0.711
  118    HD2  ARG  14          2HD       ARG  14   2.498   4.559   2.765
  119    HD3  ARG  14          1HD       ARG  14   3.512   5.776   1.977
  120    HE   ARG  14           HE       ARG  14   1.253   6.916   3.197
  121   HH11  ARG  14          1HH1      ARG  14   4.481   5.642   4.053
  122   HH12  ARG  14          2HH1      ARG  14   4.655   6.717   5.361
  123   HH21  ARG  14          1HH2      ARG  14   1.562   8.330   4.994
  124   HH22  ARG  14          2HH2      ARG  14   2.991   8.238   5.926
  125    H    ARG  15           HN       ARG  15   1.385   2.044   1.072
  126    HA   ARG  15           HA       ARG  15   1.981   1.493   3.895
  127    HB2  ARG  15          2HB       ARG  15   1.668  -0.451   1.613
  128    HB3  ARG  15          1HB       ARG  15   2.337  -0.887   3.190
  129    HG2  ARG  15          2HG       ARG  15  -0.369   0.241   2.688
  130    HG3  ARG  15          1HG       ARG  15  -0.052  -1.498   2.812
  131    HD2  ARG  15          2HD       ARG  15   0.446   0.575   4.959
  132    HD3  ARG  15          1HD       ARG  15  -0.933  -0.518   4.904
  133    HE   ARG  15           HE       ARG  15   1.264  -2.127   4.789
  134   HH11  ARG  15          1HH1      ARG  15   0.186   0.350   7.061
  135   HH12  ARG  15          2HH1      ARG  15   0.772  -0.455   8.435
  136   HH21  ARG  15          1HH2      ARG  15   2.109  -3.224   6.704
  137   HH22  ARG  15          2HH2      ARG  15   1.870  -2.494   8.227
  138    H    CYS  16           HN       CYS  16   4.075   1.051   4.373
  139    HA   CYS  16           HA       CYS  16   5.986   1.550   2.234
  140    HB2  CYS  16          2HB       CYS  16   6.286   1.859   5.222
  141    HB3  CYS  16          1HB       CYS  16   7.568   2.117   4.045
  142    H    ARG  17           HN       ARG  17   6.817  -0.157   1.447
  143    HA   ARG  17           HA       ARG  17   7.041  -2.532   3.122
  144    HB2  ARG  17          2HB       ARG  17   5.811  -2.732   0.951
  145    HB3  ARG  17          1HB       ARG  17   7.271  -2.223   0.119
  146    HG2  ARG  17          2HG       ARG  17   6.986  -4.610  -0.050
  147    HG3  ARG  17          1HG       ARG  17   8.416  -4.230   0.911
  148    HD2  ARG  17          2HD       ARG  17   7.158  -4.655   2.959
  149    HD3  ARG  17          1HD       ARG  17   5.708  -4.992   2.010
  150    HE   ARG  17           HE       ARG  17   7.642  -6.657   1.045
  151   HH11  ARG  17          1HH1      ARG  17   6.108  -6.182   4.218
  152   HH12  ARG  17          2HH1      ARG  17   6.318  -7.798   4.705
  153   HH21  ARG  17          1HH2      ARG  17   7.905  -8.889   1.751
  154   HH22  ARG  17          2HH2      ARG  17   7.363  -9.365   3.292
  155    H    GLY  18           HN       GLY  18   8.860  -2.077   4.218
  156    HA2  GLY  18          2HA       GLY  18  11.158  -2.132   4.496
  157    HA3  GLY  18          1HA       GLY  18  11.341  -2.099   2.741
  Start of MODEL    2
    1    H1   LYS   1           HN       LYS   1  12.674   0.579   1.541
    2    HA   LYS   1           HA       LYS   1  12.321   3.161   2.886
    3    HB2  LYS   1          2HB       LYS   1  13.736   2.588   0.287
    4    HB3  LYS   1          1HB       LYS   1  13.860   4.040   1.271
    5    HG2  LYS   1          2HG       LYS   1  14.816   2.632   3.069
    6    HG3  LYS   1          1HG       LYS   1  14.846   1.297   1.931
    7    HD2  LYS   1          2HD       LYS   1  16.255   2.624   0.408
    8    HD3  LYS   1          1HD       LYS   1  16.297   3.916   1.609
    9    HE2  LYS   1          2HE       LYS   1  17.357   1.110   1.943
   10    HE3  LYS   1          1HE       LYS   1  18.307   2.580   1.734
   11    HZ1  LYS   1          1HZ       LYS   1  16.533   2.000   4.045
   12    HZ2  LYS   1          2HZ       LYS   1  17.480   3.380   3.859
   13    HZ3  LYS   1          3HZ       LYS   1  18.209   1.876   4.035
   14    H    TRP   2           HN       TRP   2  10.712   1.246   0.799
   15    HA   TRP   2           HA       TRP   2   9.675   3.471  -0.809
   16    HB2  TRP   2          2HB       TRP   2  10.658   1.631  -2.109
   17    HB3  TRP   2          1HB       TRP   2   9.551   0.501  -1.350
   18    HD1  TRP   2          1HD       TRP   2   8.677   3.925  -2.961
   19    HE1  TRP   2          1HE       TRP   2   6.944   3.509  -4.805
   20    HE3  TRP   2          3HE       TRP   2   8.512  -1.182  -2.794
   21    HZ2  TRP   2          2HZ       TRP   2   5.693   1.316  -6.062
   22    HZ3  TRP   2          3HZ       TRP   2   7.020  -2.366  -4.374
   23    HH2  TRP   2          2HH       TRP   2   5.649  -1.135  -5.967
   24    H    CYS   3           HN       CYS   3   7.693   4.160  -0.511
   25    HA   CYS   3           HA       CYS   3   5.817   2.455   0.923
   26    HB2  CYS   3          2HB       CYS   3   5.870   5.469   0.619
   27    HB3  CYS   3          1HB       CYS   3   4.597   4.564   1.427
   28    H    PHE   4           HN       PHE   4   4.082   1.832  -0.114
   29    HA   PHE   4           HA       PHE   4   3.660   2.929  -2.771
   30    HB2  PHE   4          2HB       PHE   4   3.115   0.569  -3.494
   31    HB3  PHE   4          1HB       PHE   4   4.811   0.899  -3.174
   32    HD1  PHE   4          1HD       PHE   4   1.854  -0.934  -2.109
   33    HD2  PHE   4          2HD       PHE   4   5.910  -0.051  -1.230
   34    HE1  PHE   4          1HE       PHE   4   1.924  -2.829  -0.528
   35    HE2  PHE   4          2HE       PHE   4   5.984  -1.925   0.344
   36    HZ   PHE   4           HZ       PHE   4   3.991  -3.321   0.700
   37    H    ARG   5           HN       ARG   5   1.624   2.606  -3.611
   38    HA   ARG   5           HA       ARG   5  -0.494   2.871  -1.655
   39    HB2  ARG   5          2HB       ARG   5  -0.308   4.500  -3.438
   40    HB3  ARG   5          1HB       ARG   5  -0.354   3.223  -4.640
   41    HG2  ARG   5          2HG       ARG   5  -2.650   2.705  -4.010
   42    HG3  ARG   5          1HG       ARG   5  -2.604   3.986  -2.792
   43    HD2  ARG   5          2HD       ARG   5  -2.131   5.613  -4.502
   44    HD3  ARG   5          1HD       ARG   5  -2.139   4.341  -5.722
   45    HE   ARG   5           HE       ARG   5  -4.543   4.032  -4.832
   46   HH11  ARG   5          1HH1      ARG   5  -2.858   7.094  -5.304
   47   HH12  ARG   5          2HH1      ARG   5  -4.224   7.974  -5.789
   48   HH21  ARG   5          1HH2      ARG   5  -6.509   5.274  -5.517
   49   HH22  ARG   5          2HH2      ARG   5  -6.341   6.909  -5.890
   50    H    VAL   6           HN       VAL   6  -1.731   1.219  -1.177
   51    HA   VAL   6           HA       VAL   6  -1.769  -1.091  -2.994
   52    HB   VAL   6           HB       VAL   6  -2.585  -1.100  -0.089
   53   HG11  VAL   6          1HG1      VAL   6  -1.805  -3.330  -1.949
   54   HG12  VAL   6          2HG1      VAL   6  -3.438  -2.923  -1.423
   55   HG13  VAL   6          3HG1      VAL   6  -2.257  -3.510  -0.253
   56   HG21  VAL   6          1HG2      VAL   6   0.119  -1.817  -1.190
   57   HG22  VAL   6          2HG2      VAL   6  -0.413  -2.073   0.473
   58   HG23  VAL   6          3HG2      VAL   6  -0.248  -0.435  -0.162
   59    H    CYS   7           HN       CYS   7  -3.623  -1.120  -4.112
   60    HA   CYS   7           HA       CYS   7  -5.967   0.001  -2.787
   61    HB2  CYS   7          2HB       CYS   7  -5.421  -0.325  -5.733
   62    HB3  CYS   7          1HB       CYS   7  -6.918   0.284  -5.036
   63    H    TYR   8           HN       TYR   8  -7.387  -1.306  -2.108
   64    HA   TYR   8           HA       TYR   8  -7.631  -3.898  -3.406
   65    HB2  TYR   8          2HB       TYR   8  -6.490  -3.980  -1.150
   66    HB3  TYR   8          1HB       TYR   8  -7.969  -3.328  -0.456
   67    HD1  TYR   8          1HD       TYR   8  -6.585  -6.229  -2.310
   68    HD2  TYR   8          2HD       TYR   8  -9.755  -4.770   0.124
   69    HE1  TYR   8          1HE       TYR   8  -7.441  -8.508  -2.077
   70    HE2  TYR   8          2HE       TYR   8 -10.619  -7.054   0.364
   71    HH   TYR   8           HH       TYR   8  -8.866  -9.777  -0.419
   72    H    ARG   9           HN       ARG   9  -9.338  -3.495  -4.559
   73    HA   ARG   9           HA       ARG   9 -11.482  -3.361  -5.177
   74    HB2  ARG   9          2HB       ARG   9 -12.118  -3.484  -2.224
   75    HB3  ARG   9          1HB       ARG   9 -13.257  -3.764  -3.535
   76    HG2  ARG   9          2HG       ARG   9 -11.926  -5.718  -4.242
   77    HG3  ARG   9          1HG       ARG   9 -10.844  -5.441  -2.878
   78    HD2  ARG   9          2HD       ARG   9 -12.791  -5.659  -1.364
   79    HD3  ARG   9          1HD       ARG   9 -13.770  -6.086  -2.766
   80    HE   ARG   9           HE       ARG   9 -11.535  -7.749  -2.664
   81   HH11  ARG   9          1HH1      ARG   9 -14.642  -7.239  -1.016
   82   HH12  ARG   9          2HH1      ARG   9 -14.687  -8.801  -0.349
   83   HH21  ARG   9          1HH2      ARG   9 -11.606  -9.887  -1.687
   84   HH22  ARG   9          2HH2      ARG   9 -12.947 -10.332  -0.734
   85    H    GLY  10           HN       GLY  10  -9.976  -0.998  -4.780
   86    HA2  GLY  10          2HA       GLY  10 -10.697   1.184  -5.410
   87    HA3  GLY  10          1HA       GLY  10 -12.209   0.899  -4.557
   88    H    ILE  11           HN       ILE  11 -10.542  -0.257  -2.312
   89    HA   ILE  11           HA       ILE  11 -10.200   2.261  -0.914
   90    HB   ILE  11           HB       ILE  11  -9.888  -0.594   0.082
   91   HG12  ILE  11          2HG1      ILE  11 -12.269   1.259   0.365
   92   HG13  ILE  11          1HG1      ILE  11 -12.172  -0.073  -0.779
   93   HG21  ILE  11          1HG2      ILE  11 -10.135   0.399   2.325
   94   HG22  ILE  11          2HG2      ILE  11 -10.208   2.006   1.601
   95   HG23  ILE  11          3HG2      ILE  11  -8.729   1.055   1.480
   96   HD11  ILE  11          1HD1      ILE  11 -12.016  -1.650   1.069
   97   HD12  ILE  11          2HD1      ILE  11 -13.471  -0.658   1.194
   98   HD13  ILE  11          3HD1      ILE  11 -12.072  -0.312   2.214
   99    H    CYS  12           HN       CYS  12  -8.233   3.210  -1.012
  100    HA   CYS  12           HA       CYS  12  -5.939   1.447  -1.431
  101    HB2  CYS  12          2HB       CYS  12  -6.149   4.393  -2.057
  102    HB3  CYS  12          1HB       CYS  12  -4.795   3.336  -2.409
  103    H    TYR  13           HN       TYR  13  -4.469   1.323   0.024
  104    HA   TYR  13           HA       TYR  13  -4.267   3.404   2.047
  105    HB2  TYR  13          2HB       TYR  13  -3.655   1.521   3.683
  106    HB3  TYR  13          1HB       TYR  13  -5.349   1.674   3.256
  107    HD1  TYR  13          1HD       TYR  13  -6.460  -0.055   1.947
  108    HD2  TYR  13          2HD       TYR  13  -2.325  -0.444   2.930
  109    HE1  TYR  13          1HE       TYR  13  -6.538  -2.420   1.329
  110    HE2  TYR  13          2HE       TYR  13  -2.405  -2.804   2.316
  111    HH   TYR  13           HH       TYR  13  -4.912  -4.192   0.558
  112    H    ARG  14           HN       ARG  14  -2.199   3.816   2.783
  113    HA   ARG  14           HA       ARG  14  -0.131   3.066   0.893
  114    HB2  ARG  14          2HB       ARG  14  -0.377   5.427   1.560
  115    HB3  ARG  14          1HB       ARG  14  -0.065   4.978   3.228
  116    HG2  ARG  14          2HG       ARG  14   2.175   4.176   2.573
  117    HG3  ARG  14          1HG       ARG  14   1.863   4.724   0.929
  118    HD2  ARG  14          2HD       ARG  14   1.966   6.435   3.411
  119    HD3  ARG  14          1HD       ARG  14   3.179   6.357   2.134
  120    HE   ARG  14           HE       ARG  14   0.881   7.006   0.865
  121   HH11  ARG  14          1HH1      ARG  14   2.836   8.499   3.441
  122   HH12  ARG  14          2HH1      ARG  14   2.277  10.083   3.116
  123   HH21  ARG  14          1HH2      ARG  14   0.144   9.188   0.460
  124   HH22  ARG  14          2HH2      ARG  14   0.719  10.471   1.419
  125    H    ARG  15           HN       ARG  15   1.392   1.627   1.316
  126    HA   ARG  15           HA       ARG  15   1.945   0.962   4.096
  127    HB2  ARG  15          2HB       ARG  15   1.502  -0.993   1.829
  128    HB3  ARG  15          1HB       ARG  15   2.327  -1.462   3.337
  129    HG2  ARG  15          2HG       ARG  15  -0.453  -0.502   2.911
  130    HG3  ARG  15          1HG       ARG  15   0.040  -2.147   3.338
  131    HD2  ARG  15          2HD       ARG  15   0.958  -1.253   5.468
  132    HD3  ARG  15          1HD       ARG  15   0.364   0.339   5.021
  133    HE   ARG  15           HE       ARG  15  -1.308  -1.990   5.523
  134   HH11  ARG  15          1HH1      ARG  15  -0.923   1.542   5.383
  135   HH12  ARG  15          2HH1      ARG  15  -2.281   1.872   6.362
  136   HH21  ARG  15          1HH2      ARG  15  -3.198  -1.515   6.789
  137   HH22  ARG  15          2HH2      ARG  15  -3.631   0.102   7.160
  138    H    CYS  16           HN       CYS  16   4.072   0.455   4.546
  139    HA   CYS  16           HA       CYS  16   5.876   1.280   2.398
  140    HB2  CYS  16          2HB       CYS  16   6.160   1.821   5.357
  141    HB3  CYS  16          1HB       CYS  16   7.323   2.267   4.119
  142    H    ARG  17           HN       ARG  17   7.312  -0.114   1.810
  143    HA   ARG  17           HA       ARG  17   8.073  -2.155   3.737
  144    HB2  ARG  17          2HB       ARG  17   6.680  -3.121   1.882
  145    HB3  ARG  17          1HB       ARG  17   7.888  -2.543   0.733
  146    HG2  ARG  17          2HG       ARG  17   8.183  -4.907   1.173
  147    HG3  ARG  17          1HG       ARG  17   9.559  -3.986   1.791
  148    HD2  ARG  17          2HD       ARG  17   8.514  -4.020   4.032
  149    HD3  ARG  17          1HD       ARG  17   7.236  -5.054   3.391
  150    HE   ARG  17           HE       ARG  17   9.540  -6.333   2.787
  151   HH11  ARG  17          1HH1      ARG  17   8.091  -5.071   5.770
  152   HH12  ARG  17          2HH1      ARG  17   8.843  -6.195   6.785
  153   HH21  ARG  17          1HH2      ARG  17  10.619  -7.881   4.206
  154   HH22  ARG  17          2HH2      ARG  17  10.321  -7.829   5.879
  155    H    GLY  18           HN       GLY  18   9.965  -1.455   4.397
  156    HA2  GLY  18          2HA       GLY  18  12.211  -1.048   4.269
  157    HA3  GLY  18          1HA       GLY  18  12.102  -1.204   2.514
  Start of MODEL    3
    1    H1   LYS   1           HN       LYS   1  12.207   0.767   2.325
    2    HA   LYS   1           HA       LYS   1  11.193   2.988   3.974
    3    HB2  LYS   1          2HB       LYS   1  13.103   3.023   1.637
    4    HB3  LYS   1          1HB       LYS   1  12.750   4.363   2.715
    5    HG2  LYS   1          2HG       LYS   1  14.062   1.789   3.525
    6    HG3  LYS   1          1HG       LYS   1  14.902   3.292   3.148
    7    HD2  LYS   1          2HD       LYS   1  13.707   4.392   5.000
    8    HD3  LYS   1          1HD       LYS   1  12.908   2.862   5.372
    9    HE2  LYS   1          2HE       LYS   1  14.851   3.280   6.826
   10    HE3  LYS   1          1HE       LYS   1  15.033   1.823   5.851
   11    HZ1  LYS   1          1HZ       LYS   1  16.465   3.024   4.343
   12    HZ2  LYS   1          2HZ       LYS   1  17.056   3.195   5.908
   13    HZ3  LYS   1          3HZ       LYS   1  16.220   4.455   5.184
   14    H    TRP   2           HN       TRP   2  10.976   1.410   0.989
   15    HA   TRP   2           HA       TRP   2   9.769   3.423  -0.561
   16    HB2  TRP   2          2HB       TRP   2  10.961   1.662  -1.638
   17    HB3  TRP   2          1HB       TRP   2   9.977   0.435  -0.859
   18    HD1  TRP   2          1HD       TRP   2   9.151   3.454  -3.181
   19    HE1  TRP   2          1HE       TRP   2   7.521   2.594  -4.985
   20    HE3  TRP   2          3HE       TRP   2   8.831  -1.419  -1.735
   21    HZ2  TRP   2          2HZ       TRP   2   6.280   0.176  -5.699
   22    HZ3  TRP   2          3HZ       TRP   2   7.408  -2.950  -3.034
   23    HH2  TRP   2          2HH       TRP   2   6.164  -2.167  -4.970
   24    H    CYS   3           HN       CYS   3   7.869   4.261  -0.187
   25    HA   CYS   3           HA       CYS   3   5.740   2.566   0.874
   26    HB2  CYS   3          2HB       CYS   3   6.060   5.575   0.988
   27    HB3  CYS   3          1HB       CYS   3   4.688   4.676   1.623
   28    H    PHE   4           HN       PHE   4   4.097   2.155  -0.350
   29    HA   PHE   4           HA       PHE   4   3.742   3.694  -2.795
   30    HB2  PHE   4          2HB       PHE   4   3.416   1.561  -4.021
   31    HB3  PHE   4          1HB       PHE   4   5.053   1.771  -3.423
   32    HD1  PHE   4          1HD       PHE   4   5.651   0.547  -1.220
   33    HD2  PHE   4          2HD       PHE   4   2.238  -0.385  -3.569
   34    HE1  PHE   4          1HE       PHE   4   5.534  -1.660  -0.158
   35    HE2  PHE   4          2HE       PHE   4   2.116  -2.601  -2.502
   36    HZ   PHE   4           HZ       PHE   4   3.762  -3.235  -0.798
   37    H    ARG   5           HN       ARG   5   1.712   3.369  -3.779
   38    HA   ARG   5           HA       ARG   5  -0.457   3.294  -1.882
   39    HB2  ARG   5          2HB       ARG   5  -0.457   5.063  -3.510
   40    HB3  ARG   5          1HB       ARG   5  -0.255   3.926  -4.829
   41    HG2  ARG   5          2HG       ARG   5  -2.509   3.035  -4.349
   42    HG3  ARG   5          1HG       ARG   5  -2.696   4.270  -3.104
   43    HD2  ARG   5          2HD       ARG   5  -2.517   6.023  -4.728
   44    HD3  ARG   5          1HD       ARG   5  -2.099   4.870  -5.998
   45    HE   ARG   5           HE       ARG   5  -4.545   4.138  -4.912
   46   HH11  ARG   5          1HH1      ARG   5  -3.239   6.785  -6.857
   47   HH12  ARG   5          2HH1      ARG   5  -4.708   7.084  -7.665
   48   HH21  ARG   5          1HH2      ARG   5  -6.547   4.556  -6.023
   49   HH22  ARG   5          2HH2      ARG   5  -6.627   5.811  -7.163
   50    H    VAL   6           HN       VAL   6  -1.750   1.604  -1.586
   51    HA   VAL   6           HA       VAL   6  -1.634  -0.635  -3.486
   52    HB   VAL   6           HB       VAL   6  -2.273  -0.780  -0.528
   53   HG11  VAL   6          1HG1      VAL   6  -1.690  -2.958  -2.521
   54   HG12  VAL   6          2HG1      VAL   6  -3.264  -2.566  -1.829
   55   HG13  VAL   6          3HG1      VAL   6  -1.979  -3.196  -0.798
   56   HG21  VAL   6          1HG2      VAL   6   0.052  -0.136  -0.760
   57   HG22  VAL   6          2HG2      VAL   6   0.325  -1.458  -1.892
   58   HG23  VAL   6          3HG2      VAL   6  -0.062  -1.808  -0.207
   59    H    CYS   7           HN       CYS   7  -3.567  -0.923  -4.438
   60    HA   CYS   7           HA       CYS   7  -5.898   0.164  -3.049
   61    HB2  CYS   7          2HB       CYS   7  -5.436  -0.195  -6.012
   62    HB3  CYS   7          1HB       CYS   7  -6.980   0.266  -5.299
   63    H    TYR   8           HN       TYR   8  -7.211  -1.205  -2.228
   64    HA   TYR   8           HA       TYR   8  -7.388  -3.863  -3.388
   65    HB2  TYR   8          2HB       TYR   8  -5.874  -3.901  -1.436
   66    HB3  TYR   8          1HB       TYR   8  -7.132  -3.150  -0.468
   67    HD1  TYR   8          1HD       TYR   8  -8.528  -4.491   0.801
   68    HD2  TYR   8          2HD       TYR   8  -6.556  -6.181  -2.565
   69    HE1  TYR   8          1HE       TYR   8  -9.420  -6.688   1.387
   70    HE2  TYR   8          2HE       TYR   8  -7.439  -8.382  -1.989
   71    HH   TYR   8           HH       TYR   8  -8.280  -9.536  -0.003
   72    H    ARG   9           HN       ARG   9  -9.345  -3.888  -4.120
   73    HA   ARG   9           HA       ARG   9 -11.567  -3.928  -4.317
   74    HB2  ARG   9          2HB       ARG   9 -11.638  -3.738  -1.299
   75    HB3  ARG   9          1HB       ARG   9 -12.987  -4.205  -2.321
   76    HG2  ARG   9          2HG       ARG   9 -11.681  -6.182  -3.050
   77    HG3  ARG   9          1HG       ARG   9 -10.419  -5.725  -1.902
   78    HD2  ARG   9          2HD       ARG   9 -12.161  -5.796  -0.106
   79    HD3  ARG   9          1HD       ARG   9 -13.269  -6.472  -1.300
   80    HE   ARG   9           HE       ARG   9 -10.729  -7.812  -0.759
   81   HH11  ARG   9          1HH1      ARG   9 -14.269  -7.933  -0.702
   82   HH12  ARG   9          2HH1      ARG   9 -14.345  -9.514  -0.078
   83   HH21  ARG   9          1HH2      ARG   9 -10.828  -9.947   0.146
   84   HH22  ARG   9          2HH2      ARG   9 -12.346 -10.699   0.374
   85    H    GLY  10           HN       GLY  10 -10.095  -1.357  -4.113
   86    HA2  GLY  10          2HA       GLY  10 -11.143   0.686  -4.848
   87    HA3  GLY  10          1HA       GLY  10 -12.454   0.355  -3.720
   88    H    ILE  11           HN       ILE  11 -10.458  -0.540  -1.700
   89    HA   ILE  11           HA       ILE  11 -10.055   2.065  -0.523
   90    HB   ILE  11           HB       ILE  11  -9.335  -0.680   0.567
   91   HG12  ILE  11          2HG1      ILE  11 -11.792   1.013   1.107
   92   HG13  ILE  11          1HG1      ILE  11 -11.757  -0.449   0.133
   93   HG21  ILE  11          1HG2      ILE  11  -8.099   1.155   1.633
   94   HG22  ILE  11          2HG2      ILE  11  -9.255   0.434   2.753
   95   HG23  ILE  11          3HG2      ILE  11  -9.620   1.979   1.987
   96   HD11  ILE  11          1HD1      ILE  11 -11.168  -0.268   3.081
   97   HD12  ILE  11          2HD1      ILE  11 -11.133  -1.742   2.115
   98   HD13  ILE  11          3HD1      ILE  11 -12.654  -0.879   2.351
   99    H    CYS  12           HN       CYS  12  -8.282   3.154  -1.088
  100    HA   CYS  12           HA       CYS  12  -5.872   1.610  -1.641
  101    HB2  CYS  12          2HB       CYS  12  -6.435   4.490  -2.326
  102    HB3  CYS  12          1HB       CYS  12  -5.014   3.578  -2.775
  103    H    TYR  13           HN       TYR  13  -4.328   1.650  -0.288
  104    HA   TYR  13           HA       TYR  13  -4.102   3.819   1.652
  105    HB2  TYR  13          2HB       TYR  13  -3.430   2.068   3.359
  106    HB3  TYR  13          1HB       TYR  13  -5.134   2.096   2.937
  107    HD1  TYR  13          1HD       TYR  13  -1.935   0.186   2.468
  108    HD2  TYR  13          2HD       TYR  13  -6.183   0.197   1.971
  109    HE1  TYR  13          1HE       TYR  13  -1.905  -2.204   2.009
  110    HE2  TYR  13          2HE       TYR  13  -6.126  -2.204   1.501
  111    HH   TYR  13           HH       TYR  13  -4.461  -3.916   0.702
  112    H    ARG  14           HN       ARG  14  -1.870   3.614   2.764
  113    HA   ARG  14           HA       ARG  14   0.009   3.010   0.626
  114    HB2  ARG  14          2HB       ARG  14   0.211   5.025   2.872
  115    HB3  ARG  14          1HB       ARG  14   1.601   4.533   1.926
  116    HG2  ARG  14          2HG       ARG  14   0.799   6.603   1.049
  117    HG3  ARG  14          1HG       ARG  14   0.418   5.339  -0.116
  118    HD2  ARG  14          2HD       ARG  14  -1.881   5.259   0.824
  119    HD3  ARG  14          1HD       ARG  14  -1.465   6.628   1.851
  120    HE   ARG  14           HE       ARG  14  -0.851   7.263  -0.773
  121   HH11  ARG  14          1HH1      ARG  14  -3.732   6.688   1.228
  122   HH12  ARG  14          2HH1      ARG  14  -4.733   7.704   0.294
  123   HH21  ARG  14          1HH2      ARG  14  -2.282   8.688  -2.021
  124   HH22  ARG  14          2HH2      ARG  14  -3.915   8.837  -1.541
  125    H    ARG  15           HN       ARG  15   1.528   1.568   0.956
  126    HA   ARG  15           HA       ARG  15   1.986   0.604   3.682
  127    HB2  ARG  15          2HB       ARG  15   1.667  -0.924   1.130
  128    HB3  ARG  15          1HB       ARG  15   2.578  -1.626   2.475
  129    HG2  ARG  15          2HG       ARG  15  -0.305  -0.797   2.433
  130    HG3  ARG  15          1HG       ARG  15   0.295  -2.441   2.265
  131    HD2  ARG  15          2HD       ARG  15  -0.438  -2.230   4.505
  132    HD3  ARG  15          1HD       ARG  15   1.318  -2.171   4.568
  133    HE   ARG  15           HE       ARG  15   0.125   0.435   4.447
  134   HH11  ARG  15          1HH1      ARG  15   1.084  -2.157   6.679
  135   HH12  ARG  15          2HH1      ARG  15   0.975  -1.166   8.056
  136   HH21  ARG  15          1HH2      ARG  15  -0.041   1.746   6.346
  137   HH22  ARG  15          2HH2      ARG  15   0.369   1.096   7.865
  138    H    CYS  16           HN       CYS  16   4.176  -0.177   4.008
  139    HA   CYS  16           HA       CYS  16   6.010   1.033   2.086
  140    HB2  CYS  16          2HB       CYS  16   6.210   1.189   5.090
  141    HB3  CYS  16          1HB       CYS  16   7.373   1.833   3.938
  142    H    ARG  17           HN       ARG  17   7.130  -0.516   1.247
  143    HA   ARG  17           HA       ARG  17   7.822  -2.830   2.888
  144    HB2  ARG  17          2HB       ARG  17   6.808  -3.176   0.595
  145    HB3  ARG  17          1HB       ARG  17   8.250  -2.436  -0.085
  146    HG2  ARG  17          2HG       ARG  17   9.602  -4.235   0.915
  147    HG3  ARG  17          1HG       ARG  17   8.116  -4.972   1.516
  148    HD2  ARG  17          2HD       ARG  17   7.291  -5.129  -0.797
  149    HD3  ARG  17          1HD       ARG  17   8.830  -4.488  -1.366
  150    HE   ARG  17           HE       ARG  17   8.882  -6.873   0.288
  151   HH11  ARG  17          1HH1      ARG  17   9.282  -5.466  -2.939
  152   HH12  ARG  17          2HH1      ARG  17   9.877  -6.895  -3.634
  153   HH21  ARG  17          1HH2      ARG  17   9.683  -8.828  -0.663
  154   HH22  ARG  17          2HH2      ARG  17  10.102  -8.871  -2.311
  155    H    GLY  18           HN       GLY  18   9.342  -1.912   4.133
  156    HA2  GLY  18          2HA       GLY  18  11.578  -1.474   4.589
  157    HA3  GLY  18          1HA       GLY  18  11.858  -1.221   2.862
  Start of MODEL    4
    1    H1   LYS   1           HN       LYS   1  12.623   0.678   1.806
    2    HA   LYS   1           HA       LYS   1  12.064   3.165   3.247
    3    HB2  LYS   1          2HB       LYS   1  13.750   4.207   1.783
    4    HB3  LYS   1          1HB       LYS   1  14.414   2.932   2.794
    5    HG2  LYS   1          2HG       LYS   1  14.393   1.397   0.904
    6    HG3  LYS   1          1HG       LYS   1  13.677   2.642  -0.117
    7    HD2  LYS   1          2HD       LYS   1  16.381   2.765   1.215
    8    HD3  LYS   1          1HD       LYS   1  16.091   2.448  -0.495
    9    HE2  LYS   1          2HE       LYS   1  14.980   4.672  -0.645
   10    HE3  LYS   1          1HE       LYS   1  15.464   4.973   1.022
   11    HZ1  LYS   1          1HZ       LYS   1  17.785   4.706   0.311
   12    HZ2  LYS   1          2HZ       LYS   1  17.001   5.973  -0.471
   13    HZ3  LYS   1          3HZ       LYS   1  17.255   4.527  -1.282
   14    H    TRP   2           HN       TRP   2  10.739   1.272   1.003
   15    HA   TRP   2           HA       TRP   2   9.843   3.485  -0.695
   16    HB2  TRP   2          2HB       TRP   2  10.950   1.810  -1.987
   17    HB3  TRP   2          1HB       TRP   2  10.052   0.519  -1.207
   18    HD1  TRP   2          1HD       TRP   2   8.996   3.665  -3.274
   19    HE1  TRP   2          1HE       TRP   2   7.260   2.882  -5.019
   20    HE3  TRP   2          3HE       TRP   2   8.841  -1.300  -2.111
   21    HZ2  TRP   2          2HZ       TRP   2   6.009   0.480  -5.796
   22    HZ3  TRP   2          3HZ       TRP   2   7.358  -2.774  -3.408
   23    HH2  TRP   2          2HH       TRP   2   5.978  -1.898  -5.209
   24    H    CYS   3           HN       CYS   3   7.846   4.150  -0.446
   25    HA   CYS   3           HA       CYS   3   5.946   2.363   0.872
   26    HB2  CYS   3          2HB       CYS   3   5.937   5.383   0.729
   27    HB3  CYS   3          1HB       CYS   3   4.730   4.393   1.542
   28    H    PHE   4           HN       PHE   4   4.130   1.847  -0.143
   29    HA   PHE   4           HA       PHE   4   3.693   3.079  -2.734
   30    HB2  PHE   4          2HB       PHE   4   3.189   0.800  -3.658
   31    HB3  PHE   4          1HB       PHE   4   4.879   1.104  -3.291
   32    HD1  PHE   4          1HD       PHE   4   5.881   0.076  -1.269
   33    HD2  PHE   4          2HD       PHE   4   2.001  -0.962  -2.635
   34    HE1  PHE   4          1HE       PHE   4   5.975  -1.980   0.054
   35    HE2  PHE   4          2HE       PHE   4   2.086  -3.028  -1.309
   36    HZ   PHE   4           HZ       PHE   4   4.082  -3.543   0.039
   37    H    ARG   5           HN       ARG   5   1.657   2.693  -3.617
   38    HA   ARG   5           HA       ARG   5  -0.453   2.821  -1.620
   39    HB2  ARG   5          2HB       ARG   5  -0.380   4.605  -3.231
   40    HB3  ARG   5          1HB       ARG   5  -0.295   3.459  -4.555
   41    HG2  ARG   5          2HG       ARG   5  -2.573   2.763  -4.139
   42    HG3  ARG   5          1HG       ARG   5  -2.664   3.841  -2.743
   43    HD2  ARG   5          2HD       ARG   5  -2.414   5.767  -4.127
   44    HD3  ARG   5          1HD       ARG   5  -2.036   4.768  -5.529
   45    HE   ARG   5           HE       ARG   5  -4.476   3.926  -4.829
   46   HH11  ARG   5          1HH1      ARG   5  -3.191   7.164  -5.465
   47   HH12  ARG   5          2HH1      ARG   5  -4.641   7.769  -6.127
   48   HH21  ARG   5          1HH2      ARG   5  -6.461   4.732  -5.744
   49   HH22  ARG   5          2HH2      ARG   5  -6.555   6.346  -6.258
   50    H    VAL   6           HN       VAL   6  -1.830   1.202  -1.326
   51    HA   VAL   6           HA       VAL   6  -1.843  -0.993  -3.284
   52    HB   VAL   6           HB       VAL   6  -2.476  -1.202  -0.326
   53   HG11  VAL   6          1HG1      VAL   6  -2.045  -3.341  -2.415
   54   HG12  VAL   6          2HG1      VAL   6  -3.587  -2.880  -1.695
   55   HG13  VAL   6          3HG1      VAL   6  -2.337  -3.629  -0.698
   56   HG21  VAL   6          1HG2      VAL   6  -0.109  -0.701  -0.582
   57   HG22  VAL   6          2HG2      VAL   6   0.056  -2.018  -1.746
   58   HG23  VAL   6          3HG2      VAL   6  -0.333  -2.372  -0.061
   59    H    CYS   7           HN       CYS   7  -3.737  -1.121  -4.286
   60    HA   CYS   7           HA       CYS   7  -6.070   0.028  -2.957
   61    HB2  CYS   7          2HB       CYS   7  -5.478  -0.304  -5.895
   62    HB3  CYS   7          1HB       CYS   7  -7.025   0.230  -5.246
   63    H    TYR   8           HN       TYR   8  -7.535  -1.267  -2.299
   64    HA   TYR   8           HA       TYR   8  -7.812  -3.881  -3.560
   65    HB2  TYR   8          2HB       TYR   8  -6.600  -4.058  -1.410
   66    HB3  TYR   8          1HB       TYR   8  -7.924  -3.210  -0.629
   67    HD1  TYR   8          1HD       TYR   8  -9.525  -4.454   0.470
   68    HD2  TYR   8          2HD       TYR   8  -7.359  -6.276  -2.709
   69    HE1  TYR   8          1HE       TYR   8 -10.646  -6.581   0.932
   70    HE2  TYR   8          2HE       TYR   8  -8.467  -8.398  -2.259
   71    HH   TYR   8           HH       TYR   8  -9.583  -9.518  -0.381
   72    H    ARG   9           HN       ARG   9  -9.608  -3.572  -4.616
   73    HA   ARG   9           HA       ARG   9 -11.793  -3.401  -5.107
   74    HB2  ARG   9          2HB       ARG   9 -12.189  -3.560  -2.118
   75    HB3  ARG   9          1HB       ARG   9 -13.466  -3.726  -3.311
   76    HG2  ARG   9          2HG       ARG   9 -12.345  -5.717  -4.205
   77    HG3  ARG   9          1HG       ARG   9 -11.103  -5.559  -2.960
   78    HD2  ARG   9          2HD       ARG   9 -12.837  -5.755  -1.236
   79    HD3  ARG   9          1HD       ARG   9 -14.049  -5.964  -2.495
   80    HE   ARG   9           HE       ARG   9 -11.980  -7.864  -2.764
   81   HH11  ARG   9          1HH1      ARG   9 -14.877  -7.122  -0.875
   82   HH12  ARG   9          2HH1      ARG   9 -15.135  -8.712  -0.338
   83   HH21  ARG   9          1HH2      ARG   9 -12.326 -10.111  -1.975
   84   HH22  ARG   9          2HH2      ARG   9 -13.653 -10.423  -0.950
   85    H    GLY  10           HN       GLY  10 -10.228  -0.955  -4.541
   86    HA2  GLY  10          2HA       GLY  10 -11.065   1.229  -5.108
   87    HA3  GLY  10          1HA       GLY  10 -12.519   0.860  -4.188
   88    H    ILE  11           HN       ILE  11 -10.563  -0.387  -2.160
   89    HA   ILE  11           HA       ILE  11 -10.193   2.056  -0.644
   90    HB   ILE  11           HB       ILE  11  -9.805  -0.856   0.119
   91   HG12  ILE  11          2HG1      ILE  11 -12.053   1.058   0.799
   92   HG13  ILE  11          1HG1      ILE  11 -12.153  -0.264  -0.353
   93   HG21  ILE  11          1HG2      ILE  11  -9.785   1.605   1.871
   94   HG22  ILE  11          2HG2      ILE  11  -8.388   0.621   1.449
   95   HG23  ILE  11          3HG2      ILE  11  -9.681  -0.063   2.434
   96   HD11  ILE  11          1HD1      ILE  11 -11.789  -1.865   1.458
   97   HD12  ILE  11          2HD1      ILE  11 -13.201  -0.850   1.759
   98   HD13  ILE  11          3HD1      ILE  11 -11.685  -0.532   2.606
   99    H    CYS  12           HN       CYS  12  -8.331   3.066  -1.082
  100    HA   CYS  12           HA       CYS  12  -5.961   1.418  -1.556
  101    HB2  CYS  12          2HB       CYS  12  -6.314   4.351  -2.182
  102    HB3  CYS  12          1HB       CYS  12  -4.962   3.333  -2.607
  103    H    TYR  13           HN       TYR  13  -4.413   1.424  -0.154
  104    HA   TYR  13           HA       TYR  13  -4.287   3.554   1.823
  105    HB2  TYR  13          2HB       TYR  13  -3.662   1.772   3.532
  106    HB3  TYR  13          1HB       TYR  13  -5.350   1.815   3.049
  107    HD1  TYR  13          1HD       TYR  13  -2.175  -0.049   2.678
  108    HD2  TYR  13          2HD       TYR  13  -6.371  -0.073   1.997
  109    HE1  TYR  13          1HE       TYR  13  -2.069  -2.425   2.161
  110    HE2  TYR  13          2HE       TYR  13  -6.283  -2.461   1.473
  111    HH   TYR  13           HH       TYR  13  -4.639  -4.147   0.727
  112    H    ARG  14           HN       ARG  14  -2.164   3.676   2.863
  113    HA   ARG  14           HA       ARG  14  -0.085   3.114   0.874
  114    HB2  ARG  14          2HB       ARG  14  -0.070   5.045   3.209
  115    HB3  ARG  14          1HB       ARG  14   1.178   4.891   1.984
  116    HG2  ARG  14          2HG       ARG  14  -1.657   5.777   1.462
  117    HG3  ARG  14          1HG       ARG  14  -0.275   6.854   1.649
  118    HD2  ARG  14          2HD       ARG  14   0.774   5.892  -0.318
  119    HD3  ARG  14          1HD       ARG  14  -0.536   4.722  -0.471
  120    HE   ARG  14           HE       ARG  14  -1.900   6.973  -0.583
  121   HH11  ARG  14          1HH1      ARG  14   1.118   6.167  -2.266
  122   HH12  ARG  14          2HH1      ARG  14   0.750   7.134  -3.615
  123   HH21  ARG  14          1HH2      ARG  14  -2.356   8.301  -2.466
  124   HH22  ARG  14          2HH2      ARG  14  -1.204   8.363  -3.722
  125    H    ARG  15           HN       ARG  15   1.385   1.612   1.326
  126    HA   ARG  15           HA       ARG  15   1.982   1.017   4.132
  127    HB2  ARG  15          2HB       ARG  15   1.557  -0.963   1.893
  128    HB3  ARG  15          1HB       ARG  15   2.443  -1.373   3.347
  129    HG2  ARG  15          2HG       ARG  15  -0.398  -0.422   3.326
  130    HG3  ARG  15          1HG       ARG  15   0.067  -2.124   3.322
  131    HD2  ARG  15          2HD       ARG  15  -0.437  -1.546   5.586
  132    HD3  ARG  15          1HD       ARG  15   1.312  -1.657   5.475
  133    HE   ARG  15           HE       ARG  15   0.309   1.006   5.100
  134   HH11  ARG  15          1HH1      ARG  15   1.382  -1.333   7.560
  135   HH12  ARG  15          2HH1      ARG  15   1.566  -0.149   8.772
  136   HH21  ARG  15          1HH2      ARG  15   0.583   2.593   6.772
  137   HH22  ARG  15          2HH2      ARG  15   1.108   2.120   8.320
  138    H    CYS  16           HN       CYS  16   4.179   0.213   4.462
  139    HA   CYS  16           HA       CYS  16   5.893   1.151   2.293
  140    HB2  CYS  16          2HB       CYS  16   6.390   1.495   5.256
  141    HB3  CYS  16          1HB       CYS  16   7.487   1.966   3.969
  142    H    ARG  17           HN       ARG  17   7.713   0.083   1.861
  143    HA   ARG  17           HA       ARG  17   8.274  -2.336   3.385
  144    HB2  ARG  17          2HB       ARG  17   7.108  -2.972   1.334
  145    HB3  ARG  17          1HB       ARG  17   8.249  -2.034   0.370
  146    HG2  ARG  17          2HG       ARG  17  10.039  -3.524   1.090
  147    HG3  ARG  17          1HG       ARG  17   8.880  -4.454   2.035
  148    HD2  ARG  17          2HD       ARG  17   7.629  -4.936  -0.022
  149    HD3  ARG  17          1HD       ARG  17   8.852  -4.065  -0.947
  150    HE   ARG  17           HE       ARG  17  10.196  -5.936   0.533
  151   HH11  ARG  17          1HH1      ARG  17   7.737  -5.939  -2.022
  152   HH12  ARG  17          2HH1      ARG  17   8.165  -7.458  -2.645
  153   HH21  ARG  17          1HH2      ARG  17  10.768  -8.086  -0.316
  154   HH22  ARG  17          2HH2      ARG  17   9.918  -8.719  -1.640
  155    H    GLY  18           HN       GLY  18  10.029  -1.614   4.372
  156    HA2  GLY  18          2HA       GLY  18  12.230  -1.060   4.627
  157    HA3  GLY  18          1HA       GLY  18  12.399  -1.138   2.874
  Start of MODEL    5
    1    H1   LYS   1           HN       LYS   1  12.176   0.616   2.181
    2    HA   LYS   1           HA       LYS   1  11.255   2.690   4.047
    3    HB2  LYS   1          2HB       LYS   1  12.938   4.179   3.002
    4    HB3  LYS   1          1HB       LYS   1  13.647   2.771   3.783
    5    HG2  LYS   1          2HG       LYS   1  13.943   1.707   1.626
    6    HG3  LYS   1          1HG       LYS   1  13.210   3.102   0.827
    7    HD2  LYS   1          2HD       LYS   1  14.997   4.518   1.609
    8    HD3  LYS   1          1HD       LYS   1  15.686   3.184   2.533
    9    HE2  LYS   1          2HE       LYS   1  16.050   1.949   0.447
   10    HE3  LYS   1          1HE       LYS   1  15.394   3.305  -0.466
   11    HZ1  LYS   1          1HZ       LYS   1  17.824   3.351  -0.427
   12    HZ2  LYS   1          2HZ       LYS   1  17.814   3.371   1.244
   13    HZ3  LYS   1          3HZ       LYS   1  17.210   4.685   0.401
   14    H    TRP   2           HN       TRP   2  11.022   1.361   0.923
   15    HA   TRP   2           HA       TRP   2   9.896   3.620  -0.374
   16    HB2  TRP   2          2HB       TRP   2  11.075   2.071  -1.735
   17    HB3  TRP   2          1HB       TRP   2  10.180   0.710  -1.082
   18    HD1  TRP   2          1HD       TRP   2   9.096   3.948  -2.973
   19    HE1  TRP   2          1HE       TRP   2   7.446   3.230  -4.819
   20    HE3  TRP   2          3HE       TRP   2   9.101  -1.091  -2.165
   21    HZ2  TRP   2          2HZ       TRP   2   6.318   0.854  -5.809
   22    HZ3  TRP   2          3HZ       TRP   2   7.713  -2.523  -3.611
   23    HH2  TRP   2          2HH       TRP   2   6.351  -1.557  -5.397
   24    H    CYS   3           HN       CYS   3   7.932   4.307  -0.185
   25    HA   CYS   3           HA       CYS   3   5.866   2.511   0.821
   26    HB2  CYS   3          2HB       CYS   3   6.105   5.514   1.015
   27    HB3  CYS   3          1HB       CYS   3   4.711   4.585   1.559
   28    H    PHE   4           HN       PHE   4   4.043   2.264  -0.298
   29    HA   PHE   4           HA       PHE   4   3.770   3.731  -2.776
   30    HB2  PHE   4          2HB       PHE   4   3.377   1.570  -3.996
   31    HB3  PHE   4          1HB       PHE   4   5.033   1.843  -3.485
   32    HD1  PHE   4          1HD       PHE   4   5.858   0.618  -1.407
   33    HD2  PHE   4          2HD       PHE   4   2.228  -0.381  -3.379
   34    HE1  PHE   4          1HE       PHE   4   5.892  -1.585  -0.333
   35    HE2  PHE   4          2HE       PHE   4   2.255  -2.590  -2.302
   36    HZ   PHE   4           HZ       PHE   4   4.086  -3.197  -0.774
   37    H    ARG   5           HN       ARG   5   1.745   3.410  -3.809
   38    HA   ARG   5           HA       ARG   5  -0.449   3.391  -1.941
   39    HB2  ARG   5          2HB       ARG   5  -0.453   5.085  -3.666
   40    HB3  ARG   5          1HB       ARG   5  -0.264   3.874  -4.923
   41    HG2  ARG   5          2HG       ARG   5  -2.501   2.993  -4.379
   42    HG3  ARG   5          1HG       ARG   5  -2.686   4.263  -3.172
   43    HD2  ARG   5          2HD       ARG   5  -2.574   5.965  -4.880
   44    HD3  ARG   5          1HD       ARG   5  -2.192   4.756  -6.104
   45    HE   ARG   5           HE       ARG   5  -4.538   3.926  -5.041
   46   HH11  ARG   5          1HH1      ARG   5  -3.517   6.879  -6.724
   47   HH12  ARG   5          2HH1      ARG   5  -5.071   7.226  -7.313
   48   HH21  ARG   5          1HH2      ARG   5  -6.622   4.399  -5.883
   49   HH22  ARG   5          2HH2      ARG   5  -6.885   5.793  -6.822
   50    H    VAL   6           HN       VAL   6  -1.759   1.715  -1.591
   51    HA   VAL   6           HA       VAL   6  -1.775  -0.515  -3.509
   52    HB   VAL   6           HB       VAL   6  -2.152  -0.753  -0.510
   53   HG11  VAL   6          1HG1      VAL   6  -1.887  -3.143  -0.885
   54   HG12  VAL   6          2HG1      VAL   6  -1.734  -2.856  -2.618
   55   HG13  VAL   6          3HG1      VAL   6  -3.252  -2.488  -1.793
   56   HG21  VAL   6          1HG2      VAL   6   0.063  -1.802  -0.408
   57   HG22  VAL   6          2HG2      VAL   6   0.152  -0.115  -0.916
   58   HG23  VAL   6          3HG2      VAL   6   0.316  -1.405  -2.105
   59    H    CYS   7           HN       CYS   7  -3.831  -1.139  -4.067
   60    HA   CYS   7           HA       CYS   7  -6.015   0.129  -2.604
   61    HB2  CYS   7          2HB       CYS   7  -5.848  -0.384  -5.579
   62    HB3  CYS   7          1HB       CYS   7  -7.248   0.267  -4.730
   63    H    TYR   8           HN       TYR   8  -7.323  -1.194  -1.683
   64    HA   TYR   8           HA       TYR   8  -7.319  -3.997  -2.498
   65    HB2  TYR   8          2HB       TYR   8  -6.380  -3.462  -0.236
   66    HB3  TYR   8          1HB       TYR   8  -7.931  -2.746   0.179
   67    HD1  TYR   8          1HD       TYR   8  -6.127  -5.884  -0.425
   68    HD2  TYR   8          2HD       TYR   8  -9.827  -4.144   0.729
   69    HE1  TYR   8          1HE       TYR   8  -6.890  -8.057   0.424
   70    HE2  TYR   8          2HE       TYR   8 -10.588  -6.324   1.567
   71    HH   TYR   8           HH       TYR   8  -8.502  -8.936   2.020
   72    H    ARG   9           HN       ARG   9  -8.991  -4.054  -3.805
   73    HA   ARG   9           HA       ARG   9 -11.080  -4.149  -4.564
   74    HB2  ARG   9          2HB       ARG   9 -11.907  -3.748  -1.685
   75    HB3  ARG   9          1HB       ARG   9 -12.954  -4.344  -2.962
   76    HG2  ARG   9          2HG       ARG   9 -11.505  -6.306  -3.217
   77    HG3  ARG   9          1HG       ARG   9 -10.480  -5.695  -1.917
   78    HD2  ARG   9          2HD       ARG   9 -12.513  -5.727  -0.447
   79    HD3  ARG   9          1HD       ARG   9 -13.342  -6.580  -1.751
   80    HE   ARG   9           HE       ARG   9 -10.863  -7.772  -0.997
   81   HH11  ARG   9          1HH1      ARG   9 -14.331  -7.705  -0.342
   82   HH12  ARG   9          2HH1      ARG   9 -14.344  -9.159   0.538
   83   HH21  ARG   9          1HH2      ARG   9 -10.851  -9.731   0.260
   84   HH22  ARG   9          2HH2      ARG   9 -12.308 -10.352   0.885
   85    H    GLY  10           HN       GLY  10  -9.704  -1.596  -4.223
   86    HA2  GLY  10          2HA       GLY  10 -10.513   0.417  -5.335
   87    HA3  GLY  10          1HA       GLY  10 -12.048   0.175  -4.510
   88    H    ILE  11           HN       ILE  11 -10.543  -0.541  -2.013
   89    HA   ILE  11           HA       ILE  11 -10.374   2.156  -0.990
   90    HB   ILE  11           HB       ILE  11  -9.850  -0.495   0.404
   91   HG12  ILE  11          2HG1      ILE  11 -12.363   1.197   0.408
   92   HG13  ILE  11          1HG1      ILE  11 -12.165  -0.301  -0.494
   93   HG21  ILE  11          1HG2      ILE  11  -8.827   1.397   1.558
   94   HG22  ILE  11          2HG2      ILE  11 -10.193   0.773   2.482
   95   HG23  ILE  11          3HG2      ILE  11 -10.368   2.258   1.545
   96   HD11  ILE  11          1HD1      ILE  11 -13.436  -0.648   1.547
   97   HD12  ILE  11          2HD1      ILE  11 -12.100  -0.005   2.503
   98   HD13  ILE  11          3HD1      ILE  11 -11.901  -1.515   1.615
   99    H    CYS  12           HN       CYS  12  -8.506   3.253  -1.253
  100    HA   CYS  12           HA       CYS  12  -6.055   1.682  -1.491
  101    HB2  CYS  12          2HB       CYS  12  -6.438   4.586  -2.207
  102    HB3  CYS  12          1HB       CYS  12  -5.056   3.572  -2.579
  103    H    TYR  13           HN       TYR  13  -4.297   2.006  -0.314
  104    HA   TYR  13           HA       TYR  13  -4.283   3.967   1.803
  105    HB2  TYR  13          2HB       TYR  13  -3.594   2.106   3.427
  106    HB3  TYR  13          1HB       TYR  13  -5.299   2.211   3.027
  107    HD1  TYR  13          1HD       TYR  13  -6.425   0.395   2.032
  108    HD2  TYR  13          2HD       TYR  13  -2.199   0.336   2.323
  109    HE1  TYR  13          1HE       TYR  13  -6.426  -1.948   1.374
  110    HE2  TYR  13          2HE       TYR  13  -2.188  -2.030   1.654
  111    HH   TYR  13           HH       TYR  13  -4.727  -3.559   0.264
  112    H    ARG  14           HN       ARG  14  -2.138   3.741   3.011
  113    HA   ARG  14           HA       ARG  14  -0.027   3.633   0.980
  114    HB2  ARG  14          2HB       ARG  14  -0.507   5.657   2.476
  115    HB3  ARG  14          1HB       ARG  14   0.132   4.696   3.797
  116    HG2  ARG  14          2HG       ARG  14   1.903   6.058   3.088
  117    HG3  ARG  14          1HG       ARG  14   2.242   4.471   2.385
  118    HD2  ARG  14          2HD       ARG  14   2.591   6.250   0.751
  119    HD3  ARG  14          1HD       ARG  14   1.256   5.202   0.266
  120    HE   ARG  14           HE       ARG  14   0.598   7.594   1.775
  121   HH11  ARG  14          1HH1      ARG  14   0.827   6.158  -1.431
  122   HH12  ARG  14          2HH1      ARG  14  -0.390   7.143  -2.118
  123   HH21  ARG  14          1HH2      ARG  14  -1.028   8.971   0.843
  124   HH22  ARG  14          2HH2      ARG  14  -1.470   8.811  -0.787
  125    H    ARG  15           HN       ARG  15   1.312   1.854   1.032
  126    HA   ARG  15           HA       ARG  15   1.891   0.685   3.661
  127    HB2  ARG  15          2HB       ARG  15   1.423  -0.798   1.080
  128    HB3  ARG  15          1HB       ARG  15   2.208  -1.546   2.482
  129    HG2  ARG  15          2HG       ARG  15  -0.582  -0.521   2.182
  130    HG3  ARG  15          1HG       ARG  15  -0.084  -2.201   2.310
  131    HD2  ARG  15          2HD       ARG  15   0.213  -0.125   4.494
  132    HD3  ARG  15          1HD       ARG  15  -1.037  -1.359   4.419
  133    HE   ARG  15           HE       ARG  15   1.148  -2.834   4.286
  134   HH11  ARG  15          1HH1      ARG  15   0.309  -0.202   6.534
  135   HH12  ARG  15          2HH1      ARG  15   1.190  -0.873   7.821
  136   HH21  ARG  15          1HH2      ARG  15   2.292  -3.732   6.080
  137   HH22  ARG  15          2HH2      ARG  15   2.319  -2.906   7.575
  138    H    CYS  16           HN       CYS  16   4.056  -0.401   3.700
  139    HA   CYS  16           HA       CYS  16   5.784   0.808   1.694
  140    HB2  CYS  16          2HB       CYS  16   6.351   0.832   4.664
  141    HB3  CYS  16          1HB       CYS  16   7.328   1.559   3.397
  142    H    ARG  17           HN       ARG  17   7.681  -0.241   1.332
  143    HA   ARG  17           HA       ARG  17   8.056  -2.870   2.567
  144    HB2  ARG  17          2HB       ARG  17   7.213  -3.219   0.307
  145    HB3  ARG  17          1HB       ARG  17   8.347  -2.051  -0.340
  146    HG2  ARG  17          2HG       ARG  17   9.007  -4.323  -0.887
  147    HG3  ARG  17          1HG       ARG  17  10.195  -3.559   0.162
  148    HD2  ARG  17          2HD       ARG  17   9.353  -4.782   2.068
  149    HD3  ARG  17          1HD       ARG  17   8.041  -5.453   1.095
  150    HE   ARG  17           HE       ARG  17  10.211  -6.199  -0.265
  151   HH11  ARG  17          1HH1      ARG  17   9.463  -6.527   3.178
  152   HH12  ARG  17          2HH1      ARG  17  10.194  -8.051   3.339
  153   HH21  ARG  17          1HH2      ARG  17  11.253  -8.275  -0.055
  154   HH22  ARG  17          2HH2      ARG  17  11.231  -9.077   1.453
  155    H    GLY  18           HN       GLY  18   9.560  -2.153   3.974
  156    HA2  GLY  18          2HA       GLY  18  11.778  -1.767   4.561
  157    HA3  GLY  18          1HA       GLY  18  12.136  -1.427   2.865
  Start of MODEL    6
    1    H1   LYS   1           HN       LYS   1  12.628   0.752   2.400
    2    HA   LYS   1           HA       LYS   1  12.265   3.477   3.325
    3    HB2  LYS   1          2HB       LYS   1  13.419   2.444   0.742
    4    HB3  LYS   1          1HB       LYS   1  13.649   4.036   1.429
    5    HG2  LYS   1          2HG       LYS   1  15.007   3.169   3.189
    6    HG3  LYS   1          1HG       LYS   1  14.630   1.508   2.729
    7    HD2  LYS   1          2HD       LYS   1  16.092   3.489   0.976
    8    HD3  LYS   1          1HD       LYS   1  16.879   2.256   1.960
    9    HE2  LYS   1          2HE       LYS   1  15.641   0.516   0.697
   10    HE3  LYS   1          1HE       LYS   1  14.944   1.768  -0.319
   11    HZ1  LYS   1          1HZ       LYS   1  16.824   0.716  -1.382
   12    HZ2  LYS   1          2HZ       LYS   1  17.843   1.116  -0.124
   13    HZ3  LYS   1          3HZ       LYS   1  17.157   2.329  -1.098
   14    H    TRP   2           HN       TRP   2  11.187   1.320   0.866
   15    HA   TRP   2           HA       TRP   2   9.897   3.326  -0.718
   16    HB2  TRP   2          2HB       TRP   2  11.062   1.602  -1.872
   17    HB3  TRP   2          1HB       TRP   2  10.209   0.349  -0.989
   18    HD1  TRP   2          1HD       TRP   2   8.885   3.328  -3.131
   19    HE1  TRP   2          1HE       TRP   2   7.196   2.352  -4.827
   20    HE3  TRP   2          3HE       TRP   2   9.268  -1.610  -1.915
   21    HZ2  TRP   2          2HZ       TRP   2   6.199  -0.170  -5.563
   22    HZ3  TRP   2          3HZ       TRP   2   7.915  -3.245  -3.177
   23    HH2  TRP   2          2HH       TRP   2   6.420  -2.527  -4.953
   24    H    CYS   3           HN       CYS   3   7.925   4.008  -0.411
   25    HA   CYS   3           HA       CYS   3   5.951   2.181   0.727
   26    HB2  CYS   3          2HB       CYS   3   6.089   5.182   0.960
   27    HB3  CYS   3          1HB       CYS   3   4.773   4.183   1.570
   28    H    PHE   4           HN       PHE   4   4.143   1.927  -0.390
   29    HA   PHE   4           HA       PHE   4   3.861   3.417  -2.871
   30    HB2  PHE   4          2HB       PHE   4   3.432   1.236  -4.037
   31    HB3  PHE   4          1HB       PHE   4   5.092   1.484  -3.523
   32    HD1  PHE   4          1HD       PHE   4   5.806   0.337  -1.308
   33    HD2  PHE   4          2HD       PHE   4   2.311  -0.703  -3.480
   34    HE1  PHE   4          1HE       PHE   4   5.771  -1.841  -0.186
   35    HE2  PHE   4          2HE       PHE   4   2.268  -2.891  -2.358
   36    HZ   PHE   4           HZ       PHE   4   3.992  -3.458  -0.709
   37    H    ARG   5           HN       ARG   5   1.793   3.075  -3.902
   38    HA   ARG   5           HA       ARG   5  -0.347   3.110  -1.934
   39    HB2  ARG   5          2HB       ARG   5  -0.277   4.933  -3.555
   40    HB3  ARG   5          1HB       ARG   5  -0.307   3.788  -4.881
   41    HG2  ARG   5          2HG       ARG   5  -2.555   3.096  -4.288
   42    HG3  ARG   5          1HG       ARG   5  -2.539   4.167  -2.889
   43    HD2  ARG   5          2HD       ARG   5  -2.379   6.103  -4.339
   44    HD3  ARG   5          1HD       ARG   5  -2.277   5.062  -5.759
   45    HE   ARG   5           HE       ARG   5  -4.569   4.260  -4.734
   46   HH11  ARG   5          1HH1      ARG   5  -3.411   7.548  -5.389
   47   HH12  ARG   5          2HH1      ARG   5  -4.968   8.200  -5.584
   48   HH21  ARG   5          1HH2      ARG   5  -6.708   5.178  -4.997
   49   HH22  ARG   5          2HH2      ARG   5  -6.867   6.826  -5.342
   50    H    VAL   6           HN       VAL   6  -1.749   1.481  -1.669
   51    HA   VAL   6           HA       VAL   6  -1.871  -0.555  -3.779
   52    HB   VAL   6           HB       VAL   6  -2.184  -1.067  -0.818
   53   HG11  VAL   6          1HG1      VAL   6  -2.033  -2.948  -3.166
   54   HG12  VAL   6          2HG1      VAL   6  -3.455  -2.600  -2.185
   55   HG13  VAL   6          3HG1      VAL   6  -2.077  -3.439  -1.474
   56   HG21  VAL   6          1HG2      VAL   6   0.160  -1.676  -2.605
   57   HG22  VAL   6          2HG2      VAL   6  -0.032  -2.236  -0.944
   58   HG23  VAL   6          3HG2      VAL   6   0.123  -0.514  -1.283
   59    H    CYS   7           HN       CYS   7  -3.834  -0.758  -4.561
   60    HA   CYS   7           HA       CYS   7  -6.048   0.200  -2.931
   61    HB2  CYS   7          2HB       CYS   7  -5.765   0.079  -5.933
   62    HB3  CYS   7          1HB       CYS   7  -7.217   0.588  -5.066
   63    H    TYR   8           HN       TYR   8  -7.445  -1.219  -2.276
   64    HA   TYR   8           HA       TYR   8  -7.648  -3.756  -3.695
   65    HB2  TYR   8          2HB       TYR   8  -6.177  -3.939  -1.659
   66    HB3  TYR   8          1HB       TYR   8  -7.550  -3.433  -0.685
   67    HD1  TYR   8          1HD       TYR   8  -9.172  -5.036   0.024
   68    HD2  TYR   8          2HD       TYR   8  -6.312  -6.087  -2.944
   69    HE1  TYR   8          1HE       TYR   8  -9.860  -7.390   0.191
   70    HE2  TYR   8          2HE       TYR   8  -6.985  -8.419  -2.792
   71    HH   TYR   8           HH       TYR   8  -8.035  -9.897  -1.170
   72    H    ARG   9           HN       ARG   9  -9.599  -3.638  -4.476
   73    HA   ARG   9           HA       ARG   9 -11.818  -3.582  -4.700
   74    HB2  ARG   9          2HB       ARG   9 -11.882  -3.696  -1.683
   75    HB3  ARG   9          1HB       ARG   9 -13.280  -3.911  -2.728
   76    HG2  ARG   9          2HG       ARG   9 -12.134  -5.863  -3.749
   77    HG3  ARG   9          1HG       ARG   9 -10.852  -5.673  -2.555
   78    HD2  ARG   9          2HD       ARG   9 -13.764  -6.209  -1.970
   79    HD3  ARG   9          1HD       ARG   9 -12.451  -7.377  -1.880
   80    HE   ARG   9           HE       ARG   9 -12.265  -5.005  -0.201
   81   HH11  ARG   9          1HH1      ARG   9 -13.039  -8.453  -0.437
   82   HH12  ARG   9          2HH1      ARG   9 -12.905  -8.732   1.242
   83   HH21  ARG   9          1HH2      ARG   9 -12.076  -5.423   2.116
   84   HH22  ARG   9          2HH2      ARG   9 -12.358  -6.999   2.702
   85    H    GLY  10           HN       GLY  10 -10.249  -1.100  -4.264
   86    HA2  GLY  10          2HA       GLY  10 -11.214   1.058  -4.839
   87    HA3  GLY  10          1HA       GLY  10 -12.563   0.653  -3.796
   88    H    ILE  11           HN       ILE  11 -10.550  -0.465  -1.840
   89    HA   ILE  11           HA       ILE  11 -10.158   2.050  -0.482
   90    HB   ILE  11           HB       ILE  11  -9.723  -0.803   0.457
   91   HG12  ILE  11          2HG1      ILE  11 -11.917   1.195   1.065
   92   HG13  ILE  11          1HG1      ILE  11 -12.079  -0.266   0.105
   93   HG21  ILE  11          1HG2      ILE  11  -9.602   1.762   2.042
   94   HG22  ILE  11          2HG2      ILE  11  -8.224   0.752   1.616
   95   HG23  ILE  11          3HG2      ILE  11  -9.467   0.134   2.707
   96   HD11  ILE  11          1HD1      ILE  11 -13.010  -0.566   2.325
   97   HD12  ILE  11          2HD1      ILE  11 -11.457  -0.143   3.046
   98   HD13  ILE  11          3HD1      ILE  11 -11.612  -1.617   2.090
   99    H    CYS  12           HN       CYS  12  -8.325   3.104  -0.806
  100    HA   CYS  12           HA       CYS  12  -5.949   1.535  -1.492
  101    HB2  CYS  12          2HB       CYS  12  -6.378   4.499  -1.873
  102    HB3  CYS  12          1HB       CYS  12  -5.003   3.558  -2.414
  103    H    TYR  13           HN       TYR  13  -4.397   1.374  -0.157
  104    HA   TYR  13           HA       TYR  13  -4.193   3.273   2.041
  105    HB2  TYR  13          2HB       TYR  13  -3.316   1.252   3.392
  106    HB3  TYR  13          1HB       TYR  13  -5.048   1.409   3.160
  107    HD1  TYR  13          1HD       TYR  13  -6.281  -0.273   2.059
  108    HD2  TYR  13          2HD       TYR  13  -2.022  -0.450   1.991
  109    HE1  TYR  13          1HE       TYR  13  -6.395  -2.543   1.159
  110    HE2  TYR  13          2HE       TYR  13  -2.136  -2.713   1.105
  111    HH   TYR  13           HH       TYR  13  -4.976  -4.097  -0.132
  112    H    ARG  14           HN       ARG  14  -2.044   3.362   2.984
  113    HA   ARG  14           HA       ARG  14  -0.072   3.268   0.842
  114    HB2  ARG  14          2HB       ARG  14  -0.599   5.325   2.359
  115    HB3  ARG  14          1HB       ARG  14   0.316   4.457   3.582
  116    HG2  ARG  14          2HG       ARG  14   1.781   6.009   2.528
  117    HG3  ARG  14          1HG       ARG  14   2.234   4.393   1.974
  118    HD2  ARG  14          2HD       ARG  14   0.945   4.734  -0.082
  119    HD3  ARG  14          1HD       ARG  14   0.472   6.331   0.487
  120    HE   ARG  14           HE       ARG  14   3.167   6.408   0.504
  121   HH11  ARG  14          1HH1      ARG  14   0.672   5.799  -1.943
  122   HH12  ARG  14          2HH1      ARG  14   1.679   6.181  -3.265
  123   HH21  ARG  14          1HH2      ARG  14   4.534   6.965  -1.380
  124   HH22  ARG  14          2HH2      ARG  14   3.869   6.793  -2.942
  125    H    ARG  15           HN       ARG  15   1.327   1.605   0.839
  126    HA   ARG  15           HA       ARG  15   1.775   0.186   3.373
  127    HB2  ARG  15          2HB       ARG  15   1.751  -0.721   0.540
  128    HB3  ARG  15          1HB       ARG  15   2.577  -1.703   1.773
  129    HG2  ARG  15          2HG       ARG  15  -0.314  -0.995   1.402
  130    HG3  ARG  15          1HG       ARG  15   0.432  -2.565   1.200
  131    HD2  ARG  15          2HD       ARG  15  -0.673  -2.719   3.258
  132    HD3  ARG  15          1HD       ARG  15   1.019  -2.441   3.666
  133    HE   ARG  15           HE       ARG  15   0.027   0.051   3.732
  134   HH11  ARG  15          1HH1      ARG  15  -1.135  -2.940   5.198
  135   HH12  ARG  15          2HH1      ARG  15  -1.867  -2.181   6.528
  136   HH21  ARG  15          1HH2      ARG  15  -0.922   1.119   5.527
  137   HH22  ARG  15          2HH2      ARG  15  -1.736   0.204   6.717
  138    H    CYS  16           HN       CYS  16   3.854  -0.306   3.956
  139    HA   CYS  16           HA       CYS  16   5.900   0.979   2.332
  140    HB2  CYS  16          2HB       CYS  16   5.641   1.084   5.338
  141    HB3  CYS  16          1HB       CYS  16   7.099   1.540   4.467
  142    H    ARG  17           HN       ARG  17   7.608  -0.109   1.901
  143    HA   ARG  17           HA       ARG  17   8.121  -2.584   3.344
  144    HB2  ARG  17          2HB       ARG  17   7.098  -3.035   1.135
  145    HB3  ARG  17          1HB       ARG  17   8.341  -2.067   0.366
  146    HG2  ARG  17          2HG       ARG  17  10.026  -3.699   1.038
  147    HG3  ARG  17          1HG       ARG  17   8.775  -4.662   1.837
  148    HD2  ARG  17          2HD       ARG  17   7.616  -4.954  -0.274
  149    HD3  ARG  17          1HD       ARG  17   8.801  -3.939  -1.087
  150    HE   ARG  17           HE       ARG  17  10.118  -6.059   0.168
  151   HH11  ARG  17          1HH1      ARG  17   7.828  -5.575  -2.519
  152   HH12  ARG  17          2HH1      ARG  17   8.461  -6.836  -3.453
  153   HH21  ARG  17          1HH2      ARG  17  10.941  -7.849  -1.147
  154   HH22  ARG  17          2HH2      ARG  17  10.245  -8.156  -2.664
  155    H    GLY  18           HN       GLY  18   9.410  -1.124   4.574
  156    HA2  GLY  18          2HA       GLY  18  11.563  -0.595   5.185
  157    HA3  GLY  18          1HA       GLY  18  12.090  -0.906   3.533
  Start of MODEL    7
    1    H1   LYS   1           HN       LYS   1  12.347   0.459   2.047
    2    HA   LYS   1           HA       LYS   1  11.505   2.810   3.610
    3    HB2  LYS   1          2HB       LYS   1  13.864   2.522   1.746
    4    HB3  LYS   1          1HB       LYS   1  13.425   3.983   2.624
    5    HG2  LYS   1          2HG       LYS   1  13.665   2.692   4.719
    6    HG3  LYS   1          1HG       LYS   1  14.313   1.366   3.772
    7    HD2  LYS   1          2HD       LYS   1  16.119   2.789   2.941
    8    HD3  LYS   1          1HD       LYS   1  15.496   4.142   3.889
    9    HE2  LYS   1          2HE       LYS   1  15.861   2.867   5.939
   10    HE3  LYS   1          1HE       LYS   1  16.479   1.519   4.984
   11    HZ1  LYS   1          1HZ       LYS   1  18.261   2.947   4.206
   12    HZ2  LYS   1          2HZ       LYS   1  18.280   2.823   5.879
   13    HZ3  LYS   1          3HZ       LYS   1  17.688   4.224   5.148
   14    H    TRP   2           HN       TRP   2  10.409   1.153   1.396
   15    HA   TRP   2           HA       TRP   2   9.883   3.266  -0.586
   16    HB2  TRP   2          2HB       TRP   2  10.906   1.350  -1.618
   17    HB3  TRP   2          1HB       TRP   2   9.813   0.253  -0.800
   18    HD1  TRP   2          1HD       TRP   2   9.166   3.276  -3.195
   19    HE1  TRP   2          1HE       TRP   2   7.527   2.464  -5.028
   20    HE3  TRP   2          3HE       TRP   2   8.628  -1.567  -1.708
   21    HZ2  TRP   2          2HZ       TRP   2   6.210   0.070  -5.743
   22    HZ3  TRP   2          3HZ       TRP   2   7.178  -3.060  -3.021
   23    HH2  TRP   2          2HH       TRP   2   5.997  -2.253  -4.992
   24    H    CYS   3           HN       CYS   3   7.956   4.207  -0.399
   25    HA   CYS   3           HA       CYS   3   5.808   2.689   0.876
   26    HB2  CYS   3          2HB       CYS   3   6.229   5.682   0.742
   27    HB3  CYS   3          1HB       CYS   3   4.837   4.889   1.473
   28    H    PHE   4           HN       PHE   4   4.222   2.115  -0.335
   29    HA   PHE   4           HA       PHE   4   3.807   3.497  -2.869
   30    HB2  PHE   4          2HB       PHE   4   3.440   1.310  -3.968
   31    HB3  PHE   4          1HB       PHE   4   5.075   1.487  -3.361
   32    HD1  PHE   4          1HD       PHE   4   2.296  -0.650  -3.567
   33    HD2  PHE   4          2HD       PHE   4   5.483   0.430  -0.963
   34    HE1  PHE   4          1HE       PHE   4   2.082  -2.805  -2.401
   35    HE2  PHE   4          2HE       PHE   4   5.258  -1.712   0.208
   36    HZ   PHE   4           HZ       PHE   4   3.558  -3.336  -0.514
   37    H    ARG   5           HN       ARG   5   1.710   3.035  -3.824
   38    HA   ARG   5           HA       ARG   5  -0.343   3.128  -1.749
   39    HB2  ARG   5          2HB       ARG   5  -0.148   4.968  -3.441
   40    HB3  ARG   5          1HB       ARG   5  -0.508   3.794  -4.695
   41    HG2  ARG   5          2HG       ARG   5  -2.707   3.400  -3.680
   42    HG3  ARG   5          1HG       ARG   5  -2.330   4.599  -2.441
   43    HD2  ARG   5          2HD       ARG   5  -2.040   6.288  -4.219
   44    HD3  ARG   5          1HD       ARG   5  -2.533   5.088  -5.412
   45    HE   ARG   5           HE       ARG   5  -4.303   5.785  -3.197
   46   HH11  ARG   5          1HH1      ARG   5  -3.698   5.707  -6.719
   47   HH12  ARG   5          2HH1      ARG   5  -5.231   6.273  -7.140
   48   HH21  ARG   5          1HH2      ARG   5  -6.499   6.556  -3.854
   49   HH22  ARG   5          2HH2      ARG   5  -6.841   6.739  -5.502
   50    H    VAL   6           HN       VAL   6  -1.823   1.542  -1.587
   51    HA   VAL   6           HA       VAL   6  -1.814  -0.534  -3.668
   52    HB   VAL   6           HB       VAL   6  -2.405  -0.982  -0.739
   53   HG11  VAL   6          1HG1      VAL   6  -3.407  -2.601  -2.221
   54   HG12  VAL   6          2HG1      VAL   6  -2.122  -3.351  -1.275
   55   HG13  VAL   6          3HG1      VAL   6  -1.840  -2.928  -2.965
   56   HG21  VAL   6          1HG2      VAL   6  -0.198  -2.053  -0.527
   57   HG22  VAL   6          2HG2      VAL   6  -0.074  -0.331  -0.886
   58   HG23  VAL   6          3HG2      VAL   6   0.199  -1.518  -2.160
   59    H    CYS   7           HN       CYS   7  -3.740  -0.602  -4.594
   60    HA   CYS   7           HA       CYS   7  -6.057   0.279  -3.050
   61    HB2  CYS   7          2HB       CYS   7  -5.640   0.160  -6.043
   62    HB3  CYS   7          1HB       CYS   7  -7.169   0.554  -5.255
   63    H    TYR   8           HN       TYR   8  -7.254  -1.231  -2.305
   64    HA   TYR   8           HA       TYR   8  -7.380  -3.778  -3.710
   65    HB2  TYR   8          2HB       TYR   8  -5.816  -3.879  -1.766
   66    HB3  TYR   8          1HB       TYR   8  -7.135  -3.372  -0.722
   67    HD1  TYR   8          1HD       TYR   8  -5.973  -6.085  -2.950
   68    HD2  TYR   8          2HD       TYR   8  -8.669  -4.968   0.140
   69    HE1  TYR   8          1HE       TYR   8  -6.564  -8.440  -2.625
   70    HE2  TYR   8          2HE       TYR   8  -9.267  -7.319   0.475
   71    HH   TYR   8           HH       TYR   8  -9.211  -9.488  -1.024
   72    H    ARG   9           HN       ARG   9  -9.382  -3.838  -4.375
   73    HA   ARG   9           HA       ARG   9 -11.608  -3.920  -4.460
   74    HB2  ARG   9          2HB       ARG   9 -11.388  -3.960  -1.454
   75    HB3  ARG   9          1HB       ARG   9 -12.898  -4.173  -2.321
   76    HG2  ARG   9          2HG       ARG   9 -12.025  -6.179  -3.374
   77    HG3  ARG   9          1HG       ARG   9 -10.488  -5.964  -2.528
   78    HD2  ARG   9          2HD       ARG   9 -11.953  -7.597  -1.411
   79    HD3  ARG   9          1HD       ARG   9 -11.609  -6.201  -0.393
   80    HE   ARG   9           HE       ARG   9 -13.976  -5.741  -1.827
   81   HH11  ARG   9          1HH1      ARG   9 -12.798  -7.772   0.830
   82   HH12  ARG   9          2HH1      ARG   9 -14.308  -7.867   1.601
   83   HH21  ARG   9          1HH2      ARG   9 -16.053  -5.852  -0.744
   84   HH22  ARG   9          2HH2      ARG   9 -16.204  -6.766   0.671
   85    H    GLY  10           HN       GLY  10 -10.187  -1.314  -4.266
   86    HA2  GLY  10          2HA       GLY  10 -11.253   0.758  -4.836
   87    HA3  GLY  10          1HA       GLY  10 -12.565   0.338  -3.742
   88    H    ILE  11           HN       ILE  11 -10.465  -0.627  -1.818
   89    HA   ILE  11           HA       ILE  11 -10.161   1.912  -0.470
   90    HB   ILE  11           HB       ILE  11  -9.446  -0.892   0.460
   91   HG12  ILE  11          2HG1      ILE  11 -11.920   0.746   1.088
   92   HG13  ILE  11          1HG1      ILE  11 -11.873  -0.596  -0.047
   93   HG21  ILE  11          1HG2      ILE  11  -9.444   0.097   2.714
   94   HG22  ILE  11          2HG2      ILE  11  -9.776   1.682   2.018
   95   HG23  ILE  11          3HG2      ILE  11  -8.248   0.874   1.673
   96   HD11  ILE  11          1HD1      ILE  11 -11.297  -2.110   1.781
   97   HD12  ILE  11          2HD1      ILE  11 -12.810  -1.259   2.095
   98   HD13  ILE  11          3HD1      ILE  11 -11.328  -0.756   2.909
   99    H    CYS  12           HN       CYS  12  -8.378   3.039  -0.873
  100    HA   CYS  12           HA       CYS  12  -5.950   1.575  -1.584
  101    HB2  CYS  12          2HB       CYS  12  -6.488   4.518  -1.990
  102    HB3  CYS  12          1HB       CYS  12  -5.115   3.603  -2.563
  103    H    TYR  13           HN       TYR  13  -4.317   1.586  -0.330
  104    HA   TYR  13           HA       TYR  13  -4.162   3.535   1.811
  105    HB2  TYR  13          2HB       TYR  13  -3.396   1.647   3.327
  106    HB3  TYR  13          1HB       TYR  13  -5.109   1.689   2.954
  107    HD1  TYR  13          1HD       TYR  13  -6.152  -0.122   1.769
  108    HD2  TYR  13          2HD       TYR  13  -1.945  -0.072   2.332
  109    HE1  TYR  13          1HE       TYR  13  -6.049  -2.469   1.091
  110    HE2  TYR  13          2HE       TYR  13  -1.825  -2.430   1.646
  111    HH   TYR  13           HH       TYR  13  -4.319  -4.041   0.127
  112    H    ARG  14           HN       ARG  14  -2.023   3.614   2.755
  113    HA   ARG  14           HA       ARG  14   0.020   3.154   0.725
  114    HB2  ARG  14          2HB       ARG  14  -0.223   5.124   2.980
  115    HB3  ARG  14          1HB       ARG  14   1.330   4.781   2.234
  116    HG2  ARG  14          2HG       ARG  14  -1.074   5.706   0.691
  117    HG3  ARG  14          1HG       ARG  14   0.140   6.800   1.362
  118    HD2  ARG  14          2HD       ARG  14   1.873   5.712   0.071
  119    HD3  ARG  14          1HD       ARG  14   0.718   4.546  -0.561
  120    HE   ARG  14           HE       ARG  14  -0.332   6.914  -1.266
  121   HH11  ARG  14          1HH1      ARG  14   2.933   5.540  -1.711
  122   HH12  ARG  14          2HH1      ARG  14   3.191   6.310  -3.199
  123   HH21  ARG  14          1HH2      ARG  14   0.057   7.916  -3.349
  124   HH22  ARG  14          2HH2      ARG  14   1.520   7.686  -4.152
  125    H    ARG  15           HN       ARG  15   1.465   1.672   1.040
  126    HA   ARG  15           HA       ARG  15   1.993   0.794   3.785
  127    HB2  ARG  15          2HB       ARG  15   1.799  -0.834   1.270
  128    HB3  ARG  15          1HB       ARG  15   2.678  -1.426   2.679
  129    HG2  ARG  15          2HG       ARG  15  -0.230  -0.715   2.523
  130    HG3  ARG  15          1HG       ARG  15   0.415  -2.350   2.454
  131    HD2  ARG  15          2HD       ARG  15  -0.384  -2.012   4.680
  132    HD3  ARG  15          1HD       ARG  15   1.373  -1.949   4.762
  133    HE   ARG  15           HE       ARG  15   0.219   0.650   4.454
  134   HH11  ARG  15          1HH1      ARG  15   0.891  -1.808   6.907
  135   HH12  ARG  15          2HH1      ARG  15   0.877  -0.675   8.190
  136   HH21  ARG  15          1HH2      ARG  15   0.224   2.146   6.193
  137   HH22  ARG  15          2HH2      ARG  15   0.516   1.594   7.777
  138    H    CYS  16           HN       CYS  16   4.109   0.392   4.288
  139    HA   CYS  16           HA       CYS  16   6.007   1.279   2.264
  140    HB2  CYS  16          2HB       CYS  16   6.176   1.665   5.263
  141    HB3  CYS  16          1HB       CYS  16   7.410   2.142   4.101
  142    H    ARG  17           HN       ARG  17   7.155  -0.248   1.580
  143    HA   ARG  17           HA       ARG  17   7.710  -2.563   3.284
  144    HB2  ARG  17          2HB       ARG  17   6.440  -3.032   1.202
  145    HB3  ARG  17          1HB       ARG  17   7.731  -2.313   0.255
  146    HG2  ARG  17          2HG       ARG  17   9.207  -4.110   0.835
  147    HG3  ARG  17          1HG       ARG  17   8.037  -4.770   1.978
  148    HD2  ARG  17          2HD       ARG  17   6.452  -5.091   0.090
  149    HD3  ARG  17          1HD       ARG  17   7.707  -4.540  -1.013
  150    HE   ARG  17           HE       ARG  17   8.966  -6.527   0.152
  151   HH11  ARG  17          1HH1      ARG  17   5.614  -6.467  -1.044
  152   HH12  ARG  17          2HH1      ARG  17   5.581  -8.129  -1.392
  153   HH21  ARG  17          1HH2      ARG  17   8.894  -8.803  -0.372
  154   HH22  ARG  17          2HH2      ARG  17   7.479  -9.477  -1.029
  155    H    GLY  18           HN       GLY  18   9.449  -1.874   4.297
  156    HA2  GLY  18          2HA       GLY  18  11.727  -1.579   4.545
  157    HA3  GLY  18          1HA       GLY  18  11.881  -1.467   2.788
  Start of MODEL    8
    1    H1   LYS   1           HN       LYS   1  12.533   0.362   1.938
    2    HA   LYS   1           HA       LYS   1  12.356   2.850   3.493
    3    HB2  LYS   1          2HB       LYS   1  14.084   3.773   2.026
    4    HB3  LYS   1          1HB       LYS   1  14.644   2.325   2.848
    5    HG2  LYS   1          2HG       LYS   1  14.360   1.030   0.838
    6    HG3  LYS   1          1HG       LYS   1  13.650   2.417   0.007
    7    HD2  LYS   1          2HD       LYS   1  15.767   3.637   0.290
    8    HD3  LYS   1          1HD       LYS   1  16.467   2.218   1.073
    9    HE2  LYS   1          2HE       LYS   1  16.126   0.917  -0.958
   10    HE3  LYS   1          1HE       LYS   1  15.380   2.306  -1.739
   11    HZ1  LYS   1          1HZ       LYS   1  18.180   2.177  -0.776
   12    HZ2  LYS   1          2HZ       LYS   1  17.481   3.487  -1.559
   13    HZ3  LYS   1          3HZ       LYS   1  17.689   2.031  -2.384
   14    H    TRP   2           HN       TRP   2  10.626   1.230   1.285
   15    HA   TRP   2           HA       TRP   2   9.945   3.676  -0.171
   16    HB2  TRP   2          2HB       TRP   2  11.067   2.114  -1.656
   17    HB3  TRP   2          1HB       TRP   2   9.950   0.839  -1.210
   18    HD1  TRP   2          1HD       TRP   2   9.269   4.461  -2.508
   19    HE1  TRP   2          1HE       TRP   2   7.647   4.266  -4.539
   20    HE3  TRP   2          3HE       TRP   2   8.857  -0.621  -2.751
   21    HZ2  TRP   2          2HZ       TRP   2   6.414   2.230  -6.017
   22    HZ3  TRP   2          3HZ       TRP   2   7.449  -1.612  -4.505
   23    HH2  TRP   2          2HH       TRP   2   6.254  -0.211  -6.102
   24    H    CYS   3           HN       CYS   3   7.897   4.281  -0.254
   25    HA   CYS   3           HA       CYS   3   5.881   2.536   0.939
   26    HB2  CYS   3          2HB       CYS   3   6.126   5.544   1.035
   27    HB3  CYS   3          1HB       CYS   3   4.725   4.643   1.606
   28    H    PHE   4           HN       PHE   4   4.282   1.995  -0.304
   29    HA   PHE   4           HA       PHE   4   3.817   3.460  -2.791
   30    HB2  PHE   4          2HB       PHE   4   3.298   1.157  -3.776
   31    HB3  PHE   4          1HB       PHE   4   4.990   1.522  -3.478
   32    HD1  PHE   4          1HD       PHE   4   6.213   0.388  -1.707
   33    HD2  PHE   4          2HD       PHE   4   2.142  -0.550  -2.498
   34    HE1  PHE   4          1HE       PHE   4   6.439  -1.667  -0.384
   35    HE2  PHE   4          2HE       PHE   4   2.357  -2.615  -1.172
   36    HZ   PHE   4           HZ       PHE   4   4.505  -3.177  -0.110
   37    H    ARG   5           HN       ARG   5   1.634   3.065  -3.680
   38    HA   ARG   5           HA       ARG   5  -0.263   2.871  -1.460
   39    HB2  ARG   5          2HB       ARG   5  -0.030   5.039  -2.803
   40    HB3  ARG   5          1HB       ARG   5  -0.717   4.155  -4.153
   41    HG2  ARG   5          2HG       ARG   5  -2.749   3.754  -2.872
   42    HG3  ARG   5          1HG       ARG   5  -2.058   4.623  -1.501
   43    HD2  ARG   5          2HD       ARG   5  -1.830   6.624  -2.990
   44    HD3  ARG   5          1HD       ARG   5  -2.722   5.732  -4.222
   45    HE   ARG   5           HE       ARG   5  -3.888   6.150  -1.578
   46   HH11  ARG   5          1HH1      ARG   5  -3.991   6.802  -5.072
   47   HH12  ARG   5          2HH1      ARG   5  -5.555   7.438  -5.061
   48   HH21  ARG   5          1HH2      ARG   5  -6.062   7.097  -1.560
   49   HH22  ARG   5          2HH2      ARG   5  -6.762   7.620  -3.019
   50    H    VAL   6           HN       VAL   6  -1.853   1.378  -1.593
   51    HA   VAL   6           HA       VAL   6  -1.887  -0.346  -3.979
   52    HB   VAL   6           HB       VAL   6  -2.304  -1.176  -1.086
   53   HG11  VAL   6          1HG1      VAL   6  -2.303  -3.477  -1.943
   54   HG12  VAL   6          2HG1      VAL   6  -2.187  -2.847  -3.586
   55   HG13  VAL   6          3HG1      VAL   6  -3.624  -2.517  -2.616
   56   HG21  VAL   6          1HG2      VAL   6  -0.205  -2.431  -1.300
   57   HG22  VAL   6          2HG2      VAL   6   0.043  -0.694  -1.493
   58   HG23  VAL   6          3HG2      VAL   6   0.029  -1.745  -2.909
   59    H    CYS   7           HN       CYS   7  -3.889  -0.548  -4.841
   60    HA   CYS   7           HA       CYS   7  -6.131   0.297  -3.185
   61    HB2  CYS   7          2HB       CYS   7  -5.859   0.249  -6.205
   62    HB3  CYS   7          1HB       CYS   7  -7.324   0.678  -5.334
   63    H    TYR   8           HN       TYR   8  -7.504  -1.190  -2.596
   64    HA   TYR   8           HA       TYR   8  -7.756  -3.624  -4.126
   65    HB2  TYR   8          2HB       TYR   8  -5.900  -3.913  -2.432
   66    HB3  TYR   8          1HB       TYR   8  -7.082  -3.609  -1.179
   67    HD1  TYR   8          1HD       TYR   8  -6.644  -5.840  -4.136
   68    HD2  TYR   8          2HD       TYR   8  -8.069  -5.443  -0.152
   69    HE1  TYR   8          1HE       TYR   8  -7.236  -8.204  -4.123
   70    HE2  TYR   8          2HE       TYR   8  -8.680  -7.810  -0.125
   71    HH   TYR   8           HH       TYR   8  -9.210  -9.601  -1.725
   72    H    ARG   9           HN       ARG   9  -9.841  -4.002  -4.267
   73    HA   ARG   9           HA       ARG   9 -12.048  -4.084  -3.932
   74    HB2  ARG   9          2HB       ARG   9 -11.361  -3.695  -1.016
   75    HB3  ARG   9          1HB       ARG   9 -12.958  -4.106  -1.613
   76    HG2  ARG   9          2HG       ARG   9 -12.037  -6.194  -2.541
   77    HG3  ARG   9          1HG       ARG   9 -10.469  -5.780  -1.847
   78    HD2  ARG   9          2HD       ARG   9 -13.034  -6.182  -0.320
   79    HD3  ARG   9          1HD       ARG   9 -11.696  -7.332  -0.418
   80    HE   ARG   9           HE       ARG   9 -10.549  -5.059   0.510
   81   HH11  ARG   9          1HH1      ARG   9 -13.301  -6.987   1.630
   82   HH12  ARG   9          2HH1      ARG   9 -13.048  -6.631   3.276
   83   HH21  ARG   9          1HH2      ARG   9 -10.231  -4.553   2.760
   84   HH22  ARG   9          2HH2      ARG   9 -11.278  -5.198   3.934
   85    H    GLY  10           HN       GLY  10 -10.562  -1.442  -4.148
   86    HA2  GLY  10          2HA       GLY  10 -11.593   0.569  -4.786
   87    HA3  GLY  10          1HA       GLY  10 -12.924   0.218  -3.686
   88    H    ILE  11           HN       ILE  11 -10.375  -0.587  -1.942
   89    HA   ILE  11           HA       ILE  11 -10.237   2.039  -0.662
   90    HB   ILE  11           HB       ILE  11  -9.411  -0.678   0.406
   91   HG12  ILE  11          2HG1      ILE  11 -11.929   0.906   0.965
   92   HG13  ILE  11          1HG1      ILE  11 -11.832  -0.552  -0.014
   93   HG21  ILE  11          1HG2      ILE  11  -9.367   0.444   2.590
   94   HG22  ILE  11          2HG2      ILE  11  -9.796   1.967   1.816
   95   HG23  ILE  11          3HG2      ILE  11  -8.247   1.206   1.459
   96   HD11  ILE  11          1HD1      ILE  11 -12.699  -1.022   2.210
   97   HD12  ILE  11          2HD1      ILE  11 -11.225  -0.370   2.928
   98   HD13  ILE  11          3HD1      ILE  11 -11.157  -1.834   1.947
   99    H    CYS  12           HN       CYS  12  -8.357   3.147  -0.931
  100    HA   CYS  12           HA       CYS  12  -6.023   1.574  -1.705
  101    HB2  CYS  12          2HB       CYS  12  -6.387   4.557  -2.052
  102    HB3  CYS  12          1HB       CYS  12  -5.101   3.559  -2.674
  103    H    TYR  13           HN       TYR  13  -4.314   1.599  -0.469
  104    HA   TYR  13           HA       TYR  13  -4.178   3.484   1.731
  105    HB2  TYR  13          2HB       TYR  13  -3.410   1.450   3.178
  106    HB3  TYR  13          1HB       TYR  13  -5.125   1.750   2.940
  107    HD1  TYR  13          1HD       TYR  13  -6.494   0.024   2.187
  108    HD2  TYR  13          2HD       TYR  13  -2.305  -0.303   1.574
  109    HE1  TYR  13          1HE       TYR  13  -6.799  -2.268   1.380
  110    HE2  TYR  13          2HE       TYR  13  -2.593  -2.599   0.774
  111    HH   TYR  13           HH       TYR  13  -4.259  -4.425   1.042
  112    H    ARG  14           HN       ARG  14  -2.149   3.830   2.557
  113    HA   ARG  14           HA       ARG  14  -0.001   3.356   0.647
  114    HB2  ARG  14          2HB       ARG  14  -0.404   5.635   1.452
  115    HB3  ARG  14          1HB       ARG  14  -0.185   5.108   3.110
  116    HG2  ARG  14          2HG       ARG  14   1.776   6.266   2.394
  117    HG3  ARG  14          1HG       ARG  14   2.174   4.555   2.555
  118    HD2  ARG  14          2HD       ARG  14   3.155   5.512   0.532
  119    HD3  ARG  14          1HD       ARG  14   1.963   4.278   0.138
  120    HE   ARG  14           HE       ARG  14   0.567   6.619   0.085
  121   HH11  ARG  14          1HH1      ARG  14   3.552   5.586  -1.560
  122   HH12  ARG  14          2HH1      ARG  14   3.170   6.438  -2.985
  123   HH21  ARG  14          1HH2      ARG  14   0.122   7.774  -1.853
  124   HH22  ARG  14          2HH2      ARG  14   1.200   7.692  -3.174
  125    H    ARG  15           HN       ARG  15   1.301   1.679   0.985
  126    HA   ARG  15           HA       ARG  15   1.757   0.768   3.740
  127    HB2  ARG  15          2HB       ARG  15   1.591  -0.855   1.193
  128    HB3  ARG  15          1HB       ARG  15   2.188  -1.504   2.717
  129    HG2  ARG  15          2HG       ARG  15  -0.552  -0.408   2.216
  130    HG3  ARG  15          1HG       ARG  15  -0.156  -2.127   2.143
  131    HD2  ARG  15          2HD       ARG  15  -1.167  -1.749   4.261
  132    HD3  ARG  15          1HD       ARG  15   0.556  -1.888   4.589
  133    HE   ARG  15           HE       ARG  15  -0.055   0.821   4.231
  134   HH11  ARG  15          1HH1      ARG  15  -0.797  -1.716   6.575
  135   HH12  ARG  15          2HH1      ARG  15  -0.996  -0.650   7.878
  136   HH21  ARG  15          1HH2      ARG  15  -0.313   2.270   5.956
  137   HH22  ARG  15          2HH2      ARG  15  -0.724   1.720   7.511
  138    H    CYS  16           HN       CYS  16   3.950  -0.176   4.028
  139    HA   CYS  16           HA       CYS  16   5.848   0.944   2.110
  140    HB2  CYS  16          2HB       CYS  16   6.072   1.188   5.117
  141    HB3  CYS  16          1HB       CYS  16   7.225   1.781   3.933
  142    H    ARG  17           HN       ARG  17   7.803  -0.132   1.997
  143    HA   ARG  17           HA       ARG  17   8.168  -2.489   3.654
  144    HB2  ARG  17          2HB       ARG  17   7.000  -3.228   1.568
  145    HB3  ARG  17          1HB       ARG  17   8.317  -2.543   0.627
  146    HG2  ARG  17          2HG       ARG  17   9.877  -4.104   1.670
  147    HG3  ARG  17          1HG       ARG  17   8.553  -4.792   2.609
  148    HD2  ARG  17          2HD       ARG  17   7.424  -5.412   0.499
  149    HD3  ARG  17          1HD       ARG  17   8.816  -4.799  -0.397
  150    HE   ARG  17           HE       ARG  17   9.862  -6.555   1.387
  151   HH11  ARG  17          1HH1      ARG  17   7.458  -6.819  -1.193
  152   HH12  ARG  17          2HH1      ARG  17   7.718  -8.475  -1.458
  153   HH21  ARG  17          1HH2      ARG  17  10.243  -8.823   0.988
  154   HH22  ARG  17          2HH2      ARG  17   9.349  -9.629  -0.224
  155    H    GLY  18           HN       GLY  18   9.931  -1.617   4.631
  156    HA2  GLY  18          2HA       GLY  18  12.238  -1.422   4.769
  157    HA3  GLY  18          1HA       GLY  18  12.321  -1.462   3.013
  Start of MODEL    9
    1    H1   LYS   1           HN       LYS   1  13.037   1.162   2.567
    2    HA   LYS   1           HA       LYS   1  11.720   3.512   3.637
    3    HB2  LYS   1          2HB       LYS   1  13.346   4.795   2.357
    4    HB3  LYS   1          1HB       LYS   1  14.137   3.575   3.340
    5    HG2  LYS   1          2HG       LYS   1  14.400   2.168   1.351
    6    HG3  LYS   1          1HG       LYS   1  13.608   3.414   0.383
    7    HD2  LYS   1          2HD       LYS   1  15.356   5.003   1.002
    8    HD3  LYS   1          1HD       LYS   1  16.145   3.752   1.958
    9    HE2  LYS   1          2HE       LYS   1  16.417   2.403  -0.085
   10    HE3  LYS   1          1HE       LYS   1  15.687   3.709  -1.016
   11    HZ1  LYS   1          1HZ       LYS   1  18.085   3.789  -1.115
   12    HZ2  LYS   1          2HZ       LYS   1  18.171   3.866   0.563
   13    HZ3  LYS   1          3HZ       LYS   1  17.504   5.156  -0.289
   14    H    TRP   2           HN       TRP   2  10.886   1.427   1.311
   15    HA   TRP   2           HA       TRP   2   9.957   3.456  -0.564
   16    HB2  TRP   2          2HB       TRP   2  11.202   1.728  -1.654
   17    HB3  TRP   2          1HB       TRP   2  10.310   0.471  -0.812
   18    HD1  TRP   2          1HD       TRP   2   9.246   3.389  -3.181
   19    HE1  TRP   2          1HE       TRP   2   7.585   2.412  -4.883
   20    HE3  TRP   2          3HE       TRP   2   9.186  -1.450  -1.587
   21    HZ2  TRP   2          2HZ       TRP   2   6.420  -0.066  -5.491
   22    HZ3  TRP   2          3HZ       TRP   2   7.772  -3.077  -2.789
   23    HH2  TRP   2          2HH       TRP   2   6.420  -2.392  -4.701
   24    H    CYS   3           HN       CYS   3   7.921   4.091  -0.471
   25    HA   CYS   3           HA       CYS   3   5.979   2.299   0.764
   26    HB2  CYS   3          2HB       CYS   3   5.980   5.316   0.650
   27    HB3  CYS   3          1HB       CYS   3   4.676   4.334   1.311
   28    H    PHE   4           HN       PHE   4   4.088   1.945  -0.231
   29    HA   PHE   4           HA       PHE   4   3.760   3.008  -2.911
   30    HB2  PHE   4          2HB       PHE   4   3.267   0.653  -3.682
   31    HB3  PHE   4          1HB       PHE   4   4.953   1.002  -3.335
   32    HD1  PHE   4          1HD       PHE   4   5.988   0.121  -1.256
   33    HD2  PHE   4          2HD       PHE   4   2.072  -0.998  -2.465
   34    HE1  PHE   4          1HE       PHE   4   6.075  -1.784   0.268
   35    HE2  PHE   4          2HE       PHE   4   2.151  -2.913  -0.933
   36    HZ   PHE   4           HZ       PHE   4   4.156  -3.309   0.443
   37    H    ARG   5           HN       ARG   5   1.679   2.721  -3.755
   38    HA   ARG   5           HA       ARG   5  -0.438   2.737  -1.736
   39    HB2  ARG   5          2HB       ARG   5  -0.339   4.693  -3.150
   40    HB3  ARG   5          1HB       ARG   5  -0.284   3.700  -4.596
   41    HG2  ARG   5          2HG       ARG   5  -2.579   2.943  -4.145
   42    HG3  ARG   5          1HG       ARG   5  -2.626   3.981  -2.717
   43    HD2  ARG   5          2HD       ARG   5  -2.351   5.945  -4.072
   44    HD3  ARG   5          1HD       ARG   5  -2.103   4.968  -5.517
   45    HE   ARG   5           HE       ARG   5  -4.526   4.176  -4.734
   46   HH11  ARG   5          1HH1      ARG   5  -3.174   7.402  -5.166
   47   HH12  ARG   5          2HH1      ARG   5  -4.637   8.130  -5.641
   48   HH21  ARG   5          1HH2      ARG   5  -6.592   5.190  -5.405
   49   HH22  ARG   5          2HH2      ARG   5  -6.591   6.855  -5.771
   50    H    VAL   6           HN       VAL   6  -1.859   1.107  -1.634
   51    HA   VAL   6           HA       VAL   6  -1.988  -0.779  -3.892
   52    HB   VAL   6           HB       VAL   6  -2.378  -1.460  -0.962
   53   HG11  VAL   6          1HG1      VAL   6  -2.226  -3.246  -3.390
   54   HG12  VAL   6          2HG1      VAL   6  -3.678  -2.860  -2.471
   55   HG13  VAL   6          3HG1      VAL   6  -2.385  -3.791  -1.719
   56   HG21  VAL   6          1HG2      VAL   6  -0.033  -2.107  -2.738
   57   HG22  VAL   6          2HG2      VAL   6  -0.278  -2.713  -1.100
   58   HG23  VAL   6          3HG2      VAL   6  -0.031  -0.988  -1.376
   59    H    CYS   7           HN       CYS   7  -4.013  -0.993  -4.680
   60    HA   CYS   7           HA       CYS   7  -6.131   0.136  -3.023
   61    HB2  CYS   7          2HB       CYS   7  -5.989   0.004  -6.035
   62    HB3  CYS   7          1HB       CYS   7  -7.377   0.561  -5.097
   63    H    TYR   8           HN       TYR   8  -7.320  -1.196  -2.125
   64    HA   TYR   8           HA       TYR   8  -7.770  -3.839  -3.274
   65    HB2  TYR   8          2HB       TYR   8  -6.589  -3.860  -1.117
   66    HB3  TYR   8          1HB       TYR   8  -7.851  -2.841  -0.438
   67    HD1  TYR   8          1HD       TYR   8  -9.725  -3.795   0.595
   68    HD2  TYR   8          2HD       TYR   8  -7.242  -6.239  -1.837
   69    HE1  TYR   8          1HE       TYR   8 -10.929  -5.763   1.374
   70    HE2  TYR   8          2HE       TYR   8  -8.444  -8.237  -1.071
   71    HH   TYR   8           HH       TYR   8  -9.818  -8.919   0.922
   72    H    ARG   9           HN       ARG   9  -9.461  -3.395  -4.451
   73    HA   ARG   9           HA       ARG   9 -11.609  -3.131  -5.080
   74    HB2  ARG   9          2HB       ARG   9 -12.135  -3.755  -2.178
   75    HB3  ARG   9          1HB       ARG   9 -13.342  -3.822  -3.460
   76    HG2  ARG   9          2HG       ARG   9 -12.091  -5.561  -4.586
   77    HG3  ARG   9          1HG       ARG   9 -10.826  -5.455  -3.363
   78    HD2  ARG   9          2HD       ARG   9 -12.452  -6.117  -1.661
   79    HD3  ARG   9          1HD       ARG   9 -13.678  -6.292  -2.921
   80    HE   ARG   9           HE       ARG   9 -11.565  -7.785  -3.755
   81   HH11  ARG   9          1HH1      ARG   9 -13.719  -7.804  -0.931
   82   HH12  ARG   9          2HH1      ARG   9 -13.519  -9.478  -0.642
   83   HH21  ARG   9          1HH2      ARG   9 -11.305 -10.083  -3.311
   84   HH22  ARG   9          2HH2      ARG   9 -12.127 -10.771  -1.992
   85    H    GLY  10           HN       GLY  10 -10.257  -0.756  -4.343
   86    HA2  GLY  10          2HA       GLY  10 -11.271   1.409  -4.718
   87    HA3  GLY  10          1HA       GLY  10 -12.589   0.910  -3.665
   88    H    ILE  11           HN       ILE  11 -10.537  -0.337  -1.833
   89    HA   ILE  11           HA       ILE  11 -10.045   2.086  -0.315
   90    HB   ILE  11           HB       ILE  11  -9.449  -0.802   0.393
   91   HG12  ILE  11          2HG1      ILE  11 -11.816   0.905   1.199
   92   HG13  ILE  11          1HG1      ILE  11 -11.866  -0.421   0.045
   93   HG21  ILE  11          1HG2      ILE  11  -8.114   0.800   1.667
   94   HG22  ILE  11          2HG2      ILE  11  -9.306   0.020   2.704
   95   HG23  ILE  11          3HG2      ILE  11  -9.580   1.666   2.136
   96   HD11  ILE  11          1HD1      ILE  11 -12.717  -1.100   2.222
   97   HD12  ILE  11          2HD1      ILE  11 -11.179  -0.652   2.962
   98   HD13  ILE  11          3HD1      ILE  11 -11.245  -1.983   1.809
   99    H    CYS  12           HN       CYS  12  -8.233   3.121  -0.893
  100    HA   CYS  12           HA       CYS  12  -5.939   1.485  -1.635
  101    HB2  CYS  12          2HB       CYS  12  -6.275   4.455  -1.960
  102    HB3  CYS  12          1HB       CYS  12  -4.965   3.474  -2.568
  103    H    TYR  13           HN       TYR  13  -4.506   1.172  -0.262
  104    HA   TYR  13           HA       TYR  13  -4.206   3.083   1.904
  105    HB2  TYR  13          2HB       TYR  13  -3.444   1.110   3.310
  106    HB3  TYR  13          1HB       TYR  13  -5.158   1.196   2.948
  107    HD1  TYR  13          1HD       TYR  13  -2.007  -0.489   1.949
  108    HD2  TYR  13          2HD       TYR  13  -6.248  -0.622   1.939
  109    HE1  TYR  13          1HE       TYR  13  -1.926  -2.817   1.169
  110    HE2  TYR  13          2HE       TYR  13  -6.187  -2.932   1.151
  111    HH   TYR  13           HH       TYR  13  -3.398  -4.808   1.231
  112    H    ARG  14           HN       ARG  14  -2.102   3.214   2.795
  113    HA   ARG  14           HA       ARG  14  -0.103   2.969   0.681
  114    HB2  ARG  14          2HB       ARG  14  -0.779   5.182   1.817
  115    HB3  ARG  14          1HB       ARG  14   0.062   4.568   3.223
  116    HG2  ARG  14          2HG       ARG  14   1.537   6.031   2.058
  117    HG3  ARG  14          1HG       ARG  14   2.122   4.382   1.831
  118    HD2  ARG  14          2HD       ARG  14   2.181   5.740  -0.246
  119    HD3  ARG  14          1HD       ARG  14   1.182   4.298  -0.397
  120    HE   ARG  14           HE       ARG  14  -0.651   6.116   0.274
  121   HH11  ARG  14          1HH1      ARG  14   1.935   6.408  -2.096
  122   HH12  ARG  14          2HH1      ARG  14   1.075   7.431  -3.135
  123   HH21  ARG  14          1HH2      ARG  14  -1.862   7.486  -1.131
  124   HH22  ARG  14          2HH2      ARG  14  -1.169   8.062  -2.574
  125    H    ARG  15           HN       ARG  15   1.329   1.370   0.973
  126    HA   ARG  15           HA       ARG  15   1.917   0.561   3.722
  127    HB2  ARG  15          2HB       ARG  15   1.718  -1.149   1.247
  128    HB3  ARG  15          1HB       ARG  15   2.625  -1.667   2.654
  129    HG2  ARG  15          2HG       ARG  15  -0.303  -1.011   2.597
  130    HG3  ARG  15          1HG       ARG  15   0.391  -2.637   2.641
  131    HD2  ARG  15          2HD       ARG  15   0.581  -0.495   4.775
  132    HD3  ARG  15          1HD       ARG  15  -0.298  -2.014   4.868
  133    HE   ARG  15           HE       ARG  15   2.091  -2.965   4.470
  134   HH11  ARG  15          1HH1      ARG  15   1.196  -0.295   6.645
  135   HH12  ARG  15          2HH1      ARG  15   2.509  -0.554   7.682
  136   HH21  ARG  15          1HH2      ARG  15   3.911  -3.263   5.890
  137   HH22  ARG  15          2HH2      ARG  15   4.124  -2.261   7.231
  138    H    CYS  16           HN       CYS  16   4.095  -0.174   4.082
  139    HA   CYS  16           HA       CYS  16   5.931   1.014   2.179
  140    HB2  CYS  16          2HB       CYS  16   5.993   1.366   5.177
  141    HB3  CYS  16          1HB       CYS  16   7.254   1.900   4.071
  142    H    ARG  17           HN       ARG  17   7.728  -0.035   1.866
  143    HA   ARG  17           HA       ARG  17   8.299  -2.400   3.474
  144    HB2  ARG  17          2HB       ARG  17   7.188  -3.054   1.375
  145    HB3  ARG  17          1HB       ARG  17   8.378  -2.144   0.458
  146    HG2  ARG  17          2HG       ARG  17  10.110  -3.661   1.214
  147    HG3  ARG  17          1HG       ARG  17   8.917  -4.553   2.168
  148    HD2  ARG  17          2HD       ARG  17   7.660  -5.036   0.132
  149    HD3  ARG  17          1HD       ARG  17   8.863  -4.176  -0.820
  150    HE   ARG  17           HE       ARG  17  10.356  -5.951   0.441
  151   HH11  ARG  17          1HH1      ARG  17   7.321  -6.346  -1.369
  152   HH12  ARG  17          2HH1      ARG  17   7.678  -7.950  -1.832
  153   HH21  ARG  17          1HH2      ARG  17  10.771  -8.168  -0.201
  154   HH22  ARG  17          2HH2      ARG  17   9.622  -8.993  -1.150
  155    H    GLY  18           HN       GLY  18   9.922  -1.444   4.536
  156    HA2  GLY  18          2HA       GLY  18  12.076  -0.698   4.847
  157    HA3  GLY  18          1HA       GLY  18  12.324  -0.802   3.101
  Start of MODEL   10
    1    H1   LYS   1           HN       LYS   1  12.617   1.180   2.314
    2    HA   LYS   1           HA       LYS   1  11.550   3.612   3.519
    3    HB2  LYS   1          2HB       LYS   1  13.488   3.246   1.228
    4    HB3  LYS   1          1HB       LYS   1  13.130   4.760   2.041
    5    HG2  LYS   1          2HG       LYS   1  14.020   3.832   4.112
    6    HG3  LYS   1          1HG       LYS   1  14.434   2.349   3.268
    7    HD2  LYS   1          2HD       LYS   1  15.905   3.580   1.752
    8    HD3  LYS   1          1HD       LYS   1  15.506   5.086   2.574
    9    HE2  LYS   1          2HE       LYS   1  16.855   2.704   3.843
   10    HE3  LYS   1          1HE       LYS   1  17.678   4.158   3.292
   11    HZ1  LYS   1          1HZ       LYS   1  16.330   5.428   4.917
   12    HZ2  LYS   1          2HZ       LYS   1  17.317   4.292   5.627
   13    HZ3  LYS   1          3HZ       LYS   1  15.680   3.971   5.486
   14    H    TRP   2           HN       TRP   2  10.921   1.494   1.134
   15    HA   TRP   2           HA       TRP   2   9.724   3.303  -0.789
   16    HB2  TRP   2          2HB       TRP   2  11.059   1.500  -1.658
   17    HB3  TRP   2          1HB       TRP   2  10.150   0.317  -0.737
   18    HD1  TRP   2          1HD       TRP   2   8.813   3.042  -3.173
   19    HE1  TRP   2          1HE       TRP   2   7.427   1.843  -4.985
   20    HE3  TRP   2          3HE       TRP   2   9.590  -1.796  -1.741
   21    HZ2  TRP   2          2HZ       TRP   2   6.770  -0.793  -5.725
   22    HZ3  TRP   2          3HZ       TRP   2   8.559  -3.603  -3.067
   23    HH2  TRP   2          2HH       TRP   2   7.177  -3.101  -5.016
   24    H    CYS   3           HN       CYS   3   7.777   4.033  -0.303
   25    HA   CYS   3           HA       CYS   3   5.819   2.173   0.837
   26    HB2  CYS   3          2HB       CYS   3   5.908   5.191   1.026
   27    HB3  CYS   3          1HB       CYS   3   4.635   4.165   1.675
   28    H    PHE   4           HN       PHE   4   4.298   1.567  -0.460
   29    HA   PHE   4           HA       PHE   4   3.750   3.190  -2.817
   30    HB2  PHE   4          2HB       PHE   4   3.251   0.966  -3.947
   31    HB3  PHE   4          1HB       PHE   4   4.940   1.319  -3.616
   32    HD1  PHE   4          1HD       PHE   4   6.151   0.086  -1.902
   33    HD2  PHE   4          2HD       PHE   4   2.101  -0.821  -2.800
   34    HE1  PHE   4          1HE       PHE   4   6.371  -2.034  -0.710
   35    HE2  PHE   4          2HE       PHE   4   2.319  -2.951  -1.603
   36    HZ   PHE   4           HZ       PHE   4   4.457  -3.560  -0.551
   37    H    ARG   5           HN       ARG   5   1.683   3.146  -3.627
   38    HA   ARG   5           HA       ARG   5  -0.374   2.861  -1.607
   39    HB2  ARG   5          2HB       ARG   5  -0.328   4.923  -2.860
   40    HB3  ARG   5          1HB       ARG   5  -0.345   4.048  -4.381
   41    HG2  ARG   5          2HG       ARG   5  -2.594   3.264  -3.932
   42    HG3  ARG   5          1HG       ARG   5  -2.579   4.074  -2.365
   43    HD2  ARG   5          2HD       ARG   5  -2.429   6.225  -3.410
   44    HD3  ARG   5          1HD       ARG   5  -2.183   5.459  -4.986
   45    HE   ARG   5           HE       ARG   5  -4.480   4.479  -4.524
   46   HH11  ARG   5          1HH1      ARG   5  -3.524   7.773  -3.596
   47   HH12  ARG   5          2HH1      ARG   5  -5.088   8.422  -3.748
   48   HH21  ARG   5          1HH2      ARG   5  -6.665   5.391  -4.709
   49   HH22  ARG   5          2HH2      ARG   5  -6.919   7.033  -4.389
   50    H    VAL   6           HN       VAL   6  -1.608   1.186  -1.496
   51    HA   VAL   6           HA       VAL   6  -1.789  -0.657  -3.791
   52    HB   VAL   6           HB       VAL   6  -2.192  -1.277  -0.843
   53   HG11  VAL   6          1HG1      VAL   6  -3.526  -2.709  -2.294
   54   HG12  VAL   6          2HG1      VAL   6  -2.232  -3.624  -1.523
   55   HG13  VAL   6          3HG1      VAL   6  -2.083  -3.141  -3.212
   56   HG21  VAL   6          1HG2      VAL   6  -0.110  -2.545  -0.974
   57   HG22  VAL   6          2HG2      VAL   6   0.149  -0.830  -1.309
   58   HG23  VAL   6          3HG2      VAL   6   0.115  -1.995  -2.633
   59    H    CYS   7           HN       CYS   7  -3.768  -0.752  -4.661
   60    HA   CYS   7           HA       CYS   7  -5.976   0.224  -3.042
   61    HB2  CYS   7          2HB       CYS   7  -5.626   0.155  -6.045
   62    HB3  CYS   7          1HB       CYS   7  -7.101   0.655  -5.220
   63    H    TYR   8           HN       TYR   8  -7.320  -1.180  -2.363
   64    HA   TYR   8           HA       TYR   8  -7.675  -3.703  -3.785
   65    HB2  TYR   8          2HB       TYR   8  -6.040  -4.039  -1.946
   66    HB3  TYR   8          1HB       TYR   8  -7.191  -3.335  -0.827
   67    HD1  TYR   8          1HD       TYR   8  -8.936  -4.647   0.128
   68    HD2  TYR   8          2HD       TYR   8  -6.514  -6.320  -2.930
   69    HE1  TYR   8          1HE       TYR   8  -9.838  -6.831   0.641
   70    HE2  TYR   8          2HE       TYR   8  -7.425  -8.552  -2.421
   71    HH   TYR   8           HH       TYR   8  -8.540  -9.755  -0.609
   72    H    ARG   9           HN       ARG   9  -9.717  -3.678  -4.311
   73    HA   ARG   9           HA       ARG   9 -11.925  -3.502  -4.321
   74    HB2  ARG   9          2HB       ARG   9 -11.615  -3.599  -1.316
   75    HB3  ARG   9          1HB       ARG   9 -13.158  -3.719  -2.154
   76    HG2  ARG   9          2HG       ARG   9 -12.357  -5.720  -3.315
   77    HG3  ARG   9          1HG       ARG   9 -10.836  -5.610  -2.431
   78    HD2  ARG   9          2HD       ARG   9 -12.029  -5.893  -0.339
   79    HD3  ARG   9          1HD       ARG   9 -13.565  -5.959  -1.211
   80    HE   ARG   9           HE       ARG   9 -11.848  -7.878  -2.272
   81   HH11  ARG   9          1HH1      ARG   9 -13.663  -7.285   0.668
   82   HH12  ARG   9          2HH1      ARG   9 -13.850  -8.925   1.084
   83   HH21  ARG   9          1HH2      ARG   9 -12.063 -10.125  -1.726
   84   HH22  ARG   9          2HH2      ARG   9 -12.894 -10.588  -0.316
   85    H    GLY  10           HN       GLY  10 -10.314  -1.142  -4.365
   86    HA2  GLY  10          2HA       GLY  10 -11.148   0.975  -4.975
   87    HA3  GLY  10          1HA       GLY  10 -12.493   0.736  -3.870
   88    H    ILE  11           HN       ILE  11 -10.641  -0.192  -1.750
   89    HA   ILE  11           HA       ILE  11 -10.005   2.438  -0.764
   90    HB   ILE  11           HB       ILE  11  -9.827  -0.285   0.529
   91   HG12  ILE  11          2HG1      ILE  11 -12.046   0.457  -0.087
   92   HG13  ILE  11          1HG1      ILE  11 -11.866   0.274   1.664
   93   HG21  ILE  11          1HG2      ILE  11  -9.600   0.912   2.669
   94   HG22  ILE  11          2HG2      ILE  11  -9.541   2.444   1.795
   95   HG23  ILE  11          3HG2      ILE  11  -8.253   1.261   1.582
   96   HD11  ILE  11          1HD1      ILE  11 -11.613   2.742   1.783
   97   HD12  ILE  11          2HD1      ILE  11 -13.181   2.239   1.140
   98   HD13  ILE  11          3HD1      ILE  11 -11.922   2.823   0.046
   99    H    CYS  12           HN       CYS  12  -8.112   3.191  -0.703
  100    HA   CYS  12           HA       CYS  12  -5.878   1.453  -1.487
  101    HB2  CYS  12          2HB       CYS  12  -6.061   4.435  -1.850
  102    HB3  CYS  12          1HB       CYS  12  -4.784   3.378  -2.421
  103    H    TYR  13           HN       TYR  13  -4.178   1.326  -0.262
  104    HA   TYR  13           HA       TYR  13  -3.897   3.183   1.939
  105    HB2  TYR  13          2HB       TYR  13  -3.198   1.143   3.350
  106    HB3  TYR  13          1HB       TYR  13  -4.911   1.449   3.099
  107    HD1  TYR  13          1HD       TYR  13  -2.070  -0.651   1.942
  108    HD2  TYR  13          2HD       TYR  13  -6.287  -0.173   2.123
  109    HE1  TYR  13          1HE       TYR  13  -2.368  -2.949   1.137
  110    HE2  TYR  13          2HE       TYR  13  -6.596  -2.442   1.313
  111    HH   TYR  13           HH       TYR  13  -5.395  -4.148   0.095
  112    H    ARG  14           HN       ARG  14  -1.873   3.552   2.623
  113    HA   ARG  14           HA       ARG  14   0.187   3.062   0.680
  114    HB2  ARG  14          2HB       ARG  14  -0.165   5.294   1.672
  115    HB3  ARG  14          1HB       ARG  14   0.213   4.643   3.257
  116    HG2  ARG  14          2HG       ARG  14   2.107   5.827   2.430
  117    HG3  ARG  14          1HG       ARG  14   2.489   4.104   2.439
  118    HD2  ARG  14          2HD       ARG  14   3.295   5.146   0.386
  119    HD3  ARG  14          1HD       ARG  14   2.007   4.003   0.022
  120    HE   ARG  14           HE       ARG  14   0.839   6.480   0.352
  121   HH11  ARG  14          1HH1      ARG  14   3.284   5.120  -1.878
  122   HH12  ARG  14          2HH1      ARG  14   2.749   6.081  -3.185
  123   HH21  ARG  14          1HH2      ARG  14   0.178   7.746  -1.479
  124   HH22  ARG  14          2HH2      ARG  14   0.996   7.582  -2.972
  125    H    ARG  15           HN       ARG  15   1.188   1.176   0.809
  126    HA   ARG  15           HA       ARG  15   1.797   0.042   3.427
  127    HB2  ARG  15          2HB       ARG  15   1.726  -1.095   0.677
  128    HB3  ARG  15          1HB       ARG  15   2.527  -1.972   2.001
  129    HG2  ARG  15          2HG       ARG  15  -0.339  -1.158   1.708
  130    HG3  ARG  15          1HG       ARG  15   0.292  -2.793   1.548
  131    HD2  ARG  15          2HD       ARG  15   0.283  -1.131   4.081
  132    HD3  ARG  15          1HD       ARG  15  -0.755  -2.510   3.735
  133    HE   ARG  15           HE       ARG  15   1.694  -3.542   3.424
  134   HH11  ARG  15          1HH1      ARG  15   0.246  -1.713   6.109
  135   HH12  ARG  15          2HH1      ARG  15   1.248  -2.456   7.281
  136   HH21  ARG  15          1HH2      ARG  15   2.980  -4.566   5.066
  137   HH22  ARG  15          2HH2      ARG  15   2.835  -4.072   6.681
  138    H    CYS  16           HN       CYS  16   3.735   0.056   4.163
  139    HA   CYS  16           HA       CYS  16   5.838   1.099   2.429
  140    HB2  CYS  16          2HB       CYS  16   5.533   1.160   5.406
  141    HB3  CYS  16          1HB       CYS  16   7.009   1.640   4.574
  142    H    ARG  17           HN       ARG  17   7.415  -0.107   1.851
  143    HA   ARG  17           HA       ARG  17   8.054  -2.467   3.442
  144    HB2  ARG  17          2HB       ARG  17   6.859  -3.078   1.343
  145    HB3  ARG  17          1HB       ARG  17   8.065  -2.185   0.433
  146    HG2  ARG  17          2HG       ARG  17   9.775  -3.756   1.123
  147    HG3  ARG  17          1HG       ARG  17   8.585  -4.645   2.078
  148    HD2  ARG  17          2HD       ARG  17   7.333  -5.199   0.113
  149    HD3  ARG  17          1HD       ARG  17   8.352  -4.164  -0.885
  150    HE   ARG  17           HE       ARG  17  10.016  -5.980   0.318
  151   HH11  ARG  17          1HH1      ARG  17   7.229  -6.186  -1.868
  152   HH12  ARG  17          2HH1      ARG  17   7.833  -7.527  -2.725
  153   HH21  ARG  17          1HH2      ARG  17  10.831  -7.857  -0.887
  154   HH22  ARG  17          2HH2      ARG  17   9.902  -8.489  -2.151
  155    H    GLY  18           HN       GLY  18   9.573  -1.190   4.488
  156    HA2  GLY  18          2HA       GLY  18  11.808  -0.666   4.764
  157    HA3  GLY  18          1HA       GLY  18  12.025  -0.738   3.012
  Start of MODEL   11
    1    H1   LYS   1           HN       LYS   1  12.493   0.167   2.238
    2    HA   LYS   1           HA       LYS   1  12.139   2.979   2.953
    3    HB2  LYS   1          2HB       LYS   1  13.859   3.435   1.261
    4    HB3  LYS   1          1HB       LYS   1  14.410   2.262   2.444
    5    HG2  LYS   1          2HG       LYS   1  13.943   0.451   0.823
    6    HG3  LYS   1          1HG       LYS   1  13.465   1.669  -0.360
    7    HD2  LYS   1          2HD       LYS   1  15.700   2.647  -0.273
    8    HD3  LYS   1          1HD       LYS   1  16.181   1.465   0.943
    9    HE2  LYS   1          2HE       LYS   1  17.011   0.766  -1.221
   10    HE3  LYS   1          1HE       LYS   1  15.754  -0.339  -0.691
   11    HZ1  LYS   1          1HZ       LYS   1  14.187   0.819  -2.167
   12    HZ2  LYS   1          2HZ       LYS   1  15.476   0.171  -2.981
   13    HZ3  LYS   1          3HZ       LYS   1  15.427   1.830  -2.712
   14    H    TRP   2           HN       TRP   2  10.428   0.823   1.205
   15    HA   TRP   2           HA       TRP   2   9.817   2.776  -0.885
   16    HB2  TRP   2          2HB       TRP   2  10.734   0.726  -1.789
   17    HB3  TRP   2          1HB       TRP   2   9.533  -0.224  -0.932
   18    HD1  TRP   2          1HD       TRP   2   9.152   2.821  -3.339
   19    HE1  TRP   2          1HE       TRP   2   7.435   2.167  -5.142
   20    HE3  TRP   2          3HE       TRP   2   8.202  -1.964  -1.854
   21    HZ2  TRP   2          2HZ       TRP   2   5.897  -0.091  -5.852
   22    HZ3  TRP   2          3HZ       TRP   2   6.607  -3.306  -3.154
   23    HH2  TRP   2          2HH       TRP   2   5.480  -2.385  -5.111
   24    H    CYS   3           HN       CYS   3   8.060   3.862  -0.576
   25    HA   CYS   3           HA       CYS   3   5.799   2.582   0.770
   26    HB2  CYS   3          2HB       CYS   3   6.465   5.522   0.444
   27    HB3  CYS   3          1HB       CYS   3   4.998   4.900   1.188
   28    H    PHE   4           HN       PHE   4   4.031   2.268  -0.297
   29    HA   PHE   4           HA       PHE   4   3.646   3.499  -2.893
   30    HB2  PHE   4          2HB       PHE   4   3.213   1.273  -3.923
   31    HB3  PHE   4          1HB       PHE   4   4.883   1.509  -3.441
   32    HD1  PHE   4          1HD       PHE   4   5.408   0.569  -0.956
   33    HD2  PHE   4          2HD       PHE   4   2.261  -0.762  -3.485
   34    HE1  PHE   4          1HE       PHE   4   5.354  -1.568   0.248
   35    HE2  PHE   4          2HE       PHE   4   2.204  -2.901  -2.274
   36    HZ   PHE   4           HZ       PHE   4   3.744  -3.303  -0.411
   37    H    ARG   5           HN       ARG   5   1.522   3.331  -3.674
   38    HA   ARG   5           HA       ARG   5  -0.476   3.110  -1.562
   39    HB2  ARG   5          2HB       ARG   5  -0.603   5.151  -2.829
   40    HB3  ARG   5          1HB       ARG   5  -0.540   4.277  -4.349
   41    HG2  ARG   5          2HG       ARG   5  -2.739   3.382  -3.991
   42    HG3  ARG   5          1HG       ARG   5  -2.806   4.076  -2.376
   43    HD2  ARG   5          2HD       ARG   5  -2.845   6.296  -3.262
   44    HD3  ARG   5          1HD       ARG   5  -2.493   5.708  -4.887
   45    HE   ARG   5           HE       ARG   5  -4.739   4.432  -4.382
   46   HH11  ARG   5          1HH1      ARG   5  -4.009   7.842  -3.742
   47   HH12  ARG   5          2HH1      ARG   5  -5.566   8.401  -4.103
   48   HH21  ARG   5          1HH2      ARG   5  -6.930   5.207  -4.836
   49   HH22  ARG   5          2HH2      ARG   5  -7.266   6.868  -4.726
   50    H    VAL   6           HN       VAL   6  -1.827   1.460  -1.436
   51    HA   VAL   6           HA       VAL   6  -1.857  -0.441  -3.677
   52    HB   VAL   6           HB       VAL   6  -2.383  -1.109  -0.782
   53   HG11  VAL   6          1HG1      VAL   6  -2.031  -3.424  -1.503
   54   HG12  VAL   6          2HG1      VAL   6  -1.799  -2.861  -3.158
   55   HG13  VAL   6          3HG1      VAL   6  -3.359  -2.647  -2.366
   56   HG21  VAL   6          1HG2      VAL   6  -0.145  -2.110  -0.672
   57   HG22  VAL   6          2HG2      VAL   6  -0.074  -0.367  -0.931
   58   HG23  VAL   6          3HG2      VAL   6   0.210  -1.472  -2.275
   59    H    CYS   7           HN       CYS   7  -3.792  -0.481  -4.587
   60    HA   CYS   7           HA       CYS   7  -6.079   0.273  -2.955
   61    HB2  CYS   7          2HB       CYS   7  -5.684   0.340  -5.949
   62    HB3  CYS   7          1HB       CYS   7  -7.199   0.680  -5.112
   63    H    TYR   8           HN       TYR   8  -7.233  -1.284  -2.290
   64    HA   TYR   8           HA       TYR   8  -7.371  -3.718  -3.887
   65    HB2  TYR   8          2HB       TYR   8  -5.879  -3.955  -1.883
   66    HB3  TYR   8          1HB       TYR   8  -7.250  -3.537  -0.867
   67    HD1  TYR   8          1HD       TYR   8  -5.937  -6.083  -3.211
   68    HD2  TYR   8          2HD       TYR   8  -8.834  -5.184  -0.239
   69    HE1  TYR   8          1HE       TYR   8  -6.539  -8.454  -3.096
   70    HE2  TYR   8          2HE       TYR   8  -9.451  -7.545  -0.107
   71    HH   TYR   8           HH       TYR   8  -7.596 -10.021  -1.426
   72    H    ARG   9           HN       ARG   9  -9.279  -3.545  -4.685
   73    HA   ARG   9           HA       ARG   9 -11.485  -3.574  -4.975
   74    HB2  ARG   9          2HB       ARG   9 -11.594  -4.033  -1.986
   75    HB3  ARG   9          1HB       ARG   9 -12.977  -4.188  -3.064
   76    HG2  ARG   9          2HG       ARG   9 -11.839  -5.979  -4.275
   77    HG3  ARG   9          1HG       ARG   9 -10.447  -5.816  -3.207
   78    HD2  ARG   9          2HD       ARG   9 -11.804  -7.678  -2.511
   79    HD3  ARG   9          1HD       ARG   9 -11.882  -6.405  -1.297
   80    HE   ARG   9           HE       ARG   9 -14.026  -5.976  -2.945
   81   HH11  ARG   9          1HH1      ARG   9 -12.919  -8.712  -0.997
   82   HH12  ARG   9          2HH1      ARG   9 -14.478  -9.269  -0.629
   83   HH21  ARG   9          1HH2      ARG   9 -16.197  -6.754  -2.442
   84   HH22  ARG   9          2HH2      ARG   9 -16.360  -8.144  -1.463
   85    H    GLY  10           HN       GLY  10 -10.075  -1.146  -4.485
   86    HA2  GLY  10          2HA       GLY  10 -11.014   1.019  -4.849
   87    HA3  GLY  10          1HA       GLY  10 -12.390   0.546  -3.862
   88    H    ILE  11           HN       ILE  11 -10.516  -0.661  -1.890
   89    HA   ILE  11           HA       ILE  11 -10.155   1.731  -0.317
   90    HB   ILE  11           HB       ILE  11  -9.569  -1.178   0.350
   91   HG12  ILE  11          2HG1      ILE  11 -11.923   0.573   1.103
   92   HG13  ILE  11          1HG1      ILE  11 -11.958  -0.759  -0.042
   93   HG21  ILE  11          1HG2      ILE  11  -8.221   0.349   1.712
   94   HG22  ILE  11          2HG2      ILE  11  -9.453  -0.446   2.691
   95   HG23  ILE  11          3HG2      ILE  11  -9.680   1.227   2.181
   96   HD11  ILE  11          1HD1      ILE  11 -11.427  -0.961   2.910
   97   HD12  ILE  11          2HD1      ILE  11 -11.458  -2.313   1.780
   98   HD13  ILE  11          3HD1      ILE  11 -12.927  -1.385   2.088
   99    H    CYS  12           HN       CYS  12  -8.378   2.871  -0.623
  100    HA   CYS  12           HA       CYS  12  -5.952   1.460  -1.421
  101    HB2  CYS  12          2HB       CYS  12  -6.524   4.412  -1.610
  102    HB3  CYS  12          1HB       CYS  12  -5.147   3.553  -2.254
  103    H    TYR  13           HN       TYR  13  -4.339   1.350  -0.138
  104    HA   TYR  13           HA       TYR  13  -4.186   3.181   2.107
  105    HB2  TYR  13          2HB       TYR  13  -3.353   1.238   3.496
  106    HB3  TYR  13          1HB       TYR  13  -5.063   1.209   3.108
  107    HD1  TYR  13          1HD       TYR  13  -5.988  -0.572   1.745
  108    HD2  TYR  13          2HD       TYR  13  -1.806  -0.367   2.452
  109    HE1  TYR  13          1HE       TYR  13  -5.754  -2.877   0.948
  110    HE2  TYR  13          2HE       TYR  13  -1.556  -2.671   1.652
  111    HH   TYR  13           HH       TYR  13  -3.894  -4.380  -0.020
  112    H    ARG  14           HN       ARG  14  -2.095   3.641   2.795
  113    HA   ARG  14           HA       ARG  14  -0.109   3.279   0.691
  114    HB2  ARG  14          2HB       ARG  14  -0.660   5.559   1.591
  115    HB3  ARG  14          1HB       ARG  14  -0.030   5.056   3.145
  116    HG2  ARG  14          2HG       ARG  14   1.713   6.250   2.193
  117    HG3  ARG  14          1HG       ARG  14   2.149   4.570   1.874
  118    HD2  ARG  14          2HD       ARG  14   2.522   5.847  -0.129
  119    HD3  ARG  14          1HD       ARG  14   1.128   4.801  -0.389
  120    HE   ARG  14           HE       ARG  14   0.239   7.274   0.584
  121   HH11  ARG  14          1HH1      ARG  14   1.743   6.061  -2.406
  122   HH12  ARG  14          2HH1      ARG  14   0.927   7.191  -3.386
  123   HH21  ARG  14          1HH2      ARG  14  -0.791   8.802  -0.787
  124   HH22  ARG  14          2HH2      ARG  14  -0.537   8.759  -2.469
  125    H    ARG  15           HN       ARG  15   1.267   1.634   0.963
  126    HA   ARG  15           HA       ARG  15   1.942   0.780   3.691
  127    HB2  ARG  15          2HB       ARG  15   1.933  -0.652   1.070
  128    HB3  ARG  15          1HB       ARG  15   2.913  -1.263   2.414
  129    HG2  ARG  15          2HG       ARG  15  -0.048  -0.924   2.209
  130    HG3  ARG  15          1HG       ARG  15   0.849  -2.436   2.223
  131    HD2  ARG  15          2HD       ARG  15   1.631  -1.912   4.521
  132    HD3  ARG  15          1HD       ARG  15   0.605  -0.474   4.508
  133    HE   ARG  15           HE       ARG  15  -0.449  -3.174   4.145
  134   HH11  ARG  15          1HH1      ARG  15  -0.556  -0.030   5.837
  135   HH12  ARG  15          2HH1      ARG  15  -2.004  -0.394   6.646
  136   HH21  ARG  15          1HH2      ARG  15  -2.444  -3.620   5.308
  137   HH22  ARG  15          2HH2      ARG  15  -3.098  -2.451   6.343
  138    H    CYS  16           HN       CYS  16   4.128   0.242   4.113
  139    HA   CYS  16           HA       CYS  16   6.063   1.367   2.270
  140    HB2  CYS  16          2HB       CYS  16   5.914   1.890   5.237
  141    HB3  CYS  16          1HB       CYS  16   7.313   2.264   4.237
  142    H    ARG  17           HN       ARG  17   7.157  -0.267   1.684
  143    HA   ARG  17           HA       ARG  17   7.741  -2.388   3.582
  144    HB2  ARG  17          2HB       ARG  17   6.721  -3.022   1.402
  145    HB3  ARG  17          1HB       ARG  17   8.093  -2.300   0.577
  146    HG2  ARG  17          2HG       ARG  17   9.575  -3.944   1.594
  147    HG3  ARG  17          1HG       ARG  17   8.199  -4.658   2.443
  148    HD2  ARG  17          2HD       ARG  17   7.140  -5.148   0.310
  149    HD3  ARG  17          1HD       ARG  17   8.519  -4.460  -0.545
  150    HE   ARG  17           HE       ARG  17   9.309  -6.477   1.260
  151   HH11  ARG  17          1HH1      ARG  17   7.806  -6.026  -1.893
  152   HH12  ARG  17          2HH1      ARG  17   8.312  -7.518  -2.532
  153   HH21  ARG  17          1HH2      ARG  17  10.016  -8.577   0.391
  154   HH22  ARG  17          2HH2      ARG  17   9.612  -8.977  -1.213
  155    H    GLY  18           HN       GLY  18   9.301  -1.351   4.722
  156    HA2  GLY  18          2HA       GLY  18  11.444  -0.791   5.231
  157    HA3  GLY  18          1HA       GLY  18  11.909  -1.316   3.615
  Start of MODEL   12
    1    H1   LYS   1           HN       LYS   1  12.746   0.649   2.255
    2    HA   LYS   1           HA       LYS   1  11.924   3.159   3.527
    3    HB2  LYS   1          2HB       LYS   1  13.797   4.222   2.272
    4    HB3  LYS   1          1HB       LYS   1  14.321   2.987   3.404
    5    HG2  LYS   1          2HG       LYS   1  14.532   1.406   1.516
    6    HG3  LYS   1          1HG       LYS   1  14.112   2.716   0.407
    7    HD2  LYS   1          2HD       LYS   1  16.064   3.976   1.145
    8    HD3  LYS   1          1HD       LYS   1  16.446   2.713   2.315
    9    HE2  LYS   1          2HE       LYS   1  16.741   1.117   0.464
   10    HE3  LYS   1          1HE       LYS   1  16.413   2.410  -0.684
   11    HZ1  LYS   1          1HZ       LYS   1  18.684   2.362   1.238
   12    HZ2  LYS   1          2HZ       LYS   1  18.404   3.562   0.090
   13    HZ3  LYS   1          3HZ       LYS   1  18.789   2.007  -0.398
   14    H    TRP   2           HN       TRP   2  10.850   1.221   1.257
   15    HA   TRP   2           HA       TRP   2  10.101   3.353  -0.600
   16    HB2  TRP   2          2HB       TRP   2  11.159   1.500  -1.720
   17    HB3  TRP   2          1HB       TRP   2  10.143   0.341  -0.880
   18    HD1  TRP   2          1HD       TRP   2   9.256   3.442  -3.066
   19    HE1  TRP   2          1HE       TRP   2   7.534   2.699  -4.813
   20    HE3  TRP   2          3HE       TRP   2   8.979  -1.505  -1.860
   21    HZ2  TRP   2          2HZ       TRP   2   6.220   0.308  -5.588
   22    HZ3  TRP   2          3HZ       TRP   2   7.466  -2.960  -3.154
   23    HH2  TRP   2          2HH       TRP   2   6.120  -2.062  -4.983
   24    H    CYS   3           HN       CYS   3   8.009   4.007  -0.645
   25    HA   CYS   3           HA       CYS   3   6.087   2.343   0.753
   26    HB2  CYS   3          2HB       CYS   3   6.317   5.352   0.799
   27    HB3  CYS   3          1HB       CYS   3   4.923   4.460   1.403
   28    H    PHE   4           HN       PHE   4   4.092   2.139  -0.143
   29    HA   PHE   4           HA       PHE   4   3.774   3.247  -2.804
   30    HB2  PHE   4          2HB       PHE   4   3.174   0.909  -3.603
   31    HB3  PHE   4          1HB       PHE   4   4.877   1.218  -3.299
   32    HD1  PHE   4          1HD       PHE   4   1.951  -0.679  -2.286
   33    HD2  PHE   4          2HD       PHE   4   5.984   0.235  -1.334
   34    HE1  PHE   4          1HE       PHE   4   2.033  -2.609  -0.760
   35    HE2  PHE   4          2HE       PHE   4   6.071  -1.683   0.190
   36    HZ   PHE   4           HZ       PHE   4   4.089  -3.112   0.481
   37    H    ARG   5           HN       ARG   5   1.699   2.945  -3.673
   38    HA   ARG   5           HA       ARG   5  -0.453   3.140  -1.712
   39    HB2  ARG   5          2HB       ARG   5  -0.265   4.877  -3.427
   40    HB3  ARG   5          1HB       ARG   5  -0.310   3.657  -4.683
   41    HG2  ARG   5          2HG       ARG   5  -2.587   3.080  -4.105
   42    HG3  ARG   5          1HG       ARG   5  -2.556   4.224  -2.766
   43    HD2  ARG   5          2HD       ARG   5  -2.270   6.066  -4.300
   44    HD3  ARG   5          1HD       ARG   5  -2.174   4.953  -5.664
   45    HE   ARG   5           HE       ARG   5  -4.474   4.274  -4.973
   46   HH11  ARG   5          1HH1      ARG   5  -3.300   7.552  -4.318
   47   HH12  ARG   5          2HH1      ARG   5  -4.799   8.310  -4.565
   48   HH21  ARG   5          1HH2      ARG   5  -6.589   5.339  -5.275
   49   HH22  ARG   5          2HH2      ARG   5  -6.716   7.014  -5.111
   50    H    VAL   6           HN       VAL   6  -1.911   1.549  -1.463
   51    HA   VAL   6           HA       VAL   6  -1.924  -0.592  -3.475
   52    HB   VAL   6           HB       VAL   6  -2.554  -0.955  -0.547
   53   HG11  VAL   6          1HG1      VAL   6  -3.575  -2.576  -2.030
   54   HG12  VAL   6          2HG1      VAL   6  -2.330  -3.344  -1.045
   55   HG13  VAL   6          3HG1      VAL   6  -2.002  -2.956  -2.735
   56   HG21  VAL   6          1HG2      VAL   6  -0.384  -2.029  -0.264
   57   HG22  VAL   6          2HG2      VAL   6  -0.195  -0.343  -0.749
   58   HG23  VAL   6          3HG2      VAL   6   0.032  -1.635  -1.930
   59    H    CYS   7           HN       CYS   7  -3.844  -0.704  -4.401
   60    HA   CYS   7           HA       CYS   7  -6.143   0.251  -2.884
   61    HB2  CYS   7          2HB       CYS   7  -5.769   0.040  -5.880
   62    HB3  CYS   7          1HB       CYS   7  -7.238   0.578  -5.068
   63    H    TYR   8           HN       TYR   8  -7.478  -1.224  -2.221
   64    HA   TYR   8           HA       TYR   8  -7.499  -3.805  -3.582
   65    HB2  TYR   8          2HB       TYR   8  -6.053  -3.799  -1.501
   66    HB3  TYR   8          1HB       TYR   8  -7.495  -3.396  -0.586
   67    HD1  TYR   8          1HD       TYR   8  -8.865  -5.125   0.250
   68    HD2  TYR   8          2HD       TYR   8  -6.067  -5.992  -2.831
   69    HE1  TYR   8          1HE       TYR   8  -9.318  -7.519   0.518
   70    HE2  TYR   8          2HE       TYR   8  -6.512  -8.378  -2.581
   71    HH   TYR   8           HH       TYR   8  -9.136  -9.596  -0.757
   72    H    ARG   9           HN       ARG   9  -9.427  -3.878  -4.364
   73    HA   ARG   9           HA       ARG   9 -11.654  -3.981  -4.600
   74    HB2  ARG   9          2HB       ARG   9 -11.692  -3.923  -1.581
   75    HB3  ARG   9          1HB       ARG   9 -13.086  -4.276  -2.587
   76    HG2  ARG   9          2HG       ARG   9 -11.934  -6.256  -3.468
   77    HG3  ARG   9          1HG       ARG   9 -10.550  -5.897  -2.435
   78    HD2  ARG   9          2HD       ARG   9 -13.354  -6.570  -1.535
   79    HD3  ARG   9          1HD       ARG   9 -11.934  -7.603  -1.415
   80    HE   ARG   9           HE       ARG   9 -11.912  -5.018  -0.052
   81   HH11  ARG   9          1HH1      ARG   9 -11.894  -8.553   0.232
   82   HH12  ARG   9          2HH1      ARG   9 -11.643  -8.530   1.911
   83   HH21  ARG   9          1HH2      ARG   9 -11.557  -5.020   2.222
   84   HH22  ARG   9          2HH2      ARG   9 -11.454  -6.487   3.075
   85    H    GLY  10           HN       GLY  10 -10.257  -1.376  -4.385
   86    HA2  GLY  10          2HA       GLY  10 -11.393   0.603  -5.161
   87    HA3  GLY  10          1HA       GLY  10 -12.683   0.244  -4.026
   88    H    ILE  11           HN       ILE  11 -10.640  -0.429  -1.928
   89    HA   ILE  11           HA       ILE  11 -10.342   2.326  -1.046
   90    HB   ILE  11           HB       ILE  11  -9.981  -0.277   0.483
   91   HG12  ILE  11          2HG1      ILE  11 -12.235   1.743   0.486
   92   HG13  ILE  11          1HG1      ILE  11 -12.292   0.131  -0.205
   93   HG21  ILE  11          1HG2      ILE  11  -8.609   1.514   1.434
   94   HG22  ILE  11          2HG2      ILE  11  -9.958   1.132   2.505
   95   HG23  ILE  11          3HG2      ILE  11 -10.016   2.577   1.495
   96   HD11  ILE  11          1HD1      ILE  11 -12.025  -0.829   2.027
   97   HD12  ILE  11          2HD1      ILE  11 -13.443   0.216   1.918
   98   HD13  ILE  11          3HD1      ILE  11 -11.977   0.796   2.712
   99    H    CYS  12           HN       CYS  12  -8.420   3.318  -0.925
  100    HA   CYS  12           HA       CYS  12  -6.072   1.695  -1.542
  101    HB2  CYS  12          2HB       CYS  12  -6.456   4.648  -2.051
  102    HB3  CYS  12          1HB       CYS  12  -5.085   3.664  -2.523
  103    H    TYR  13           HN       TYR  13  -4.401   1.772  -0.268
  104    HA   TYR  13           HA       TYR  13  -4.304   3.687   1.913
  105    HB2  TYR  13          2HB       TYR  13  -3.655   1.716   3.427
  106    HB3  TYR  13          1HB       TYR  13  -5.357   1.905   3.040
  107    HD1  TYR  13          1HD       TYR  13  -6.515   0.276   1.690
  108    HD2  TYR  13          2HD       TYR  13  -2.350  -0.160   2.454
  109    HE1  TYR  13          1HE       TYR  13  -6.616  -2.023   0.887
  110    HE2  TYR  13          2HE       TYR  13  -2.447  -2.457   1.665
  111    HH   TYR  13           HH       TYR  13  -4.094  -4.285   1.354
  112    H    ARG  14           HN       ARG  14  -2.179   3.676   2.959
  113    HA   ARG  14           HA       ARG  14  -0.111   3.305   0.932
  114    HB2  ARG  14          2HB       ARG  14  -0.595   5.492   2.161
  115    HB3  ARG  14          1HB       ARG  14   0.115   4.729   3.575
  116    HG2  ARG  14          2HG       ARG  14   1.766   6.101   2.534
  117    HG3  ARG  14          1HG       ARG  14   2.203   4.412   2.241
  118    HD2  ARG  14          2HD       ARG  14   1.311   4.512   0.006
  119    HD3  ARG  14          1HD       ARG  14   0.673   6.129   0.291
  120    HE   ARG  14           HE       ARG  14   3.378   6.205   0.762
  121   HH11  ARG  14          1HH1      ARG  14   1.160   5.804  -1.945
  122   HH12  ARG  14          2HH1      ARG  14   2.250   6.307  -3.156
  123   HH21  ARG  14          1HH2      ARG  14   4.935   6.953  -0.885
  124   HH22  ARG  14          2HH2      ARG  14   4.498   6.927  -2.523
  125    H    ARG  15           HN       ARG  15   1.353   1.733   1.172
  126    HA   ARG  15           HA       ARG  15   1.874   0.651   3.834
  127    HB2  ARG  15          2HB       ARG  15   1.418  -0.912   1.289
  128    HB3  ARG  15          1HB       ARG  15   2.235  -1.628   2.694
  129    HG2  ARG  15          2HG       ARG  15  -0.559  -0.656   2.385
  130    HG3  ARG  15          1HG       ARG  15  -0.025  -2.324   2.578
  131    HD2  ARG  15          2HD       ARG  15   0.822  -1.736   4.845
  132    HD3  ARG  15          1HD       ARG  15   0.147  -0.119   4.629
  133    HE   ARG  15           HE       ARG  15  -1.358  -2.606   4.760
  134   HH11  ARG  15          1HH1      ARG  15  -1.260   0.943   5.097
  135   HH12  ARG  15          2HH1      ARG  15  -2.803   1.069   5.783
  136   HH21  ARG  15          1HH2      ARG  15  -3.532  -2.408   5.723
  137   HH22  ARG  15          2HH2      ARG  15  -4.101  -0.872   6.160
  138    H    CYS  16           HN       CYS  16   4.042  -0.398   3.904
  139    HA   CYS  16           HA       CYS  16   5.786   0.831   1.930
  140    HB2  CYS  16          2HB       CYS  16   6.190   0.995   4.918
  141    HB3  CYS  16          1HB       CYS  16   7.349   1.524   3.709
  142    H    ARG  17           HN       ARG  17   7.823  -0.058   1.775
  143    HA   ARG  17           HA       ARG  17   8.307  -2.625   3.039
  144    HB2  ARG  17          2HB       ARG  17   7.455  -3.132   0.792
  145    HB3  ARG  17          1HB       ARG  17   8.575  -1.975   0.090
  146    HG2  ARG  17          2HG       ARG  17  10.451  -3.369   0.788
  147    HG3  ARG  17          1HG       ARG  17   9.327  -4.523   1.506
  148    HD2  ARG  17          2HD       ARG  17   8.347  -4.960  -0.674
  149    HD3  ARG  17          1HD       ARG  17   9.383  -3.739  -1.399
  150    HE   ARG  17           HE       ARG  17  11.276  -5.108  -0.790
  151   HH11  ARG  17          1HH1      ARG  17   8.142  -6.722  -0.932
  152   HH12  ARG  17          2HH1      ARG  17   8.760  -8.252  -1.324
  153   HH21  ARG  17          1HH2      ARG  17  12.152  -7.187  -1.363
  154   HH22  ARG  17          2HH2      ARG  17  11.126  -8.529  -1.599
  155    H    GLY  18           HN       GLY  18   9.729  -1.648   4.361
  156    HA2  GLY  18          2HA       GLY  18  11.840  -1.030   4.997
  157    HA3  GLY  18          1HA       GLY  18  12.337  -1.163   3.310
  Start of MODEL   13
    1    H1   LYS   1           HN       LYS   1  12.637   0.854   2.166
    2    HA   LYS   1           HA       LYS   1  11.440   3.123   3.578
    3    HB2  LYS   1          2HB       LYS   1  13.218   4.497   2.495
    4    HB3  LYS   1          1HB       LYS   1  13.836   3.246   3.560
    5    HG2  LYS   1          2HG       LYS   1  14.364   1.853   1.625
    6    HG3  LYS   1          1HG       LYS   1  13.731   3.102   0.552
    7    HD2  LYS   1          2HD       LYS   1  16.162   3.239   0.641
    8    HD3  LYS   1          1HD       LYS   1  15.449   4.661   1.405
    9    HE2  LYS   1          2HE       LYS   1  15.827   3.659   3.616
   10    HE3  LYS   1          1HE       LYS   1  16.533   2.237   2.848
   11    HZ1  LYS   1          1HZ       LYS   1  18.291   3.655   1.968
   12    HZ2  LYS   1          2HZ       LYS   1  18.225   3.769   3.636
   13    HZ3  LYS   1          3HZ       LYS   1  17.605   5.004   2.697
   14    H    TRP   2           HN       TRP   2  10.668   1.241   1.195
   15    HA   TRP   2           HA       TRP   2   9.858   3.338  -0.666
   16    HB2  TRP   2          2HB       TRP   2  11.078   1.487  -1.697
   17    HB3  TRP   2          1HB       TRP   2   9.961   0.329  -0.993
   18    HD1  TRP   2          1HD       TRP   2   9.486   3.452  -3.260
   19    HE1  TRP   2          1HE       TRP   2   7.891   2.809  -5.167
   20    HE3  TRP   2          3HE       TRP   2   8.686  -1.409  -1.988
   21    HZ2  TRP   2          2HZ       TRP   2   6.475   0.500  -6.026
   22    HZ3  TRP   2          3HZ       TRP   2   7.204  -2.778  -3.403
   23    HH2  TRP   2          2HH       TRP   2   6.129  -1.840  -5.374
   24    H    CYS   3           HN       CYS   3   7.900   4.101  -0.390
   25    HA   CYS   3           HA       CYS   3   5.905   2.364   0.840
   26    HB2  CYS   3          2HB       CYS   3   6.147   5.365   0.892
   27    HB3  CYS   3          1HB       CYS   3   4.783   4.461   1.559
   28    H    PHE   4           HN       PHE   4   4.237   1.811  -0.275
   29    HA   PHE   4           HA       PHE   4   3.778   3.175  -2.806
   30    HB2  PHE   4          2HB       PHE   4   3.228   0.880  -3.734
   31    HB3  PHE   4          1HB       PHE   4   4.925   1.192  -3.396
   32    HD1  PHE   4          1HD       PHE   4   5.961   0.197  -1.351
   33    HD2  PHE   4          2HD       PHE   4   2.077  -0.887  -2.675
   34    HE1  PHE   4          1HE       PHE   4   6.068  -1.827   0.025
   35    HE2  PHE   4          2HE       PHE   4   2.176  -2.919  -1.300
   36    HZ   PHE   4           HZ       PHE   4   4.170  -3.397   0.056
   37    H    ARG   5           HN       ARG   5   1.718   3.146  -3.593
   38    HA   ARG   5           HA       ARG   5  -0.353   3.099  -1.567
   39    HB2  ARG   5          2HB       ARG   5  -0.067   5.032  -3.065
   40    HB3  ARG   5          1HB       ARG   5  -0.338   3.990  -4.450
   41    HG2  ARG   5          2HG       ARG   5  -2.623   3.567  -3.645
   42    HG3  ARG   5          1HG       ARG   5  -2.330   4.687  -2.308
   43    HD2  ARG   5          2HD       ARG   5  -1.865   6.471  -3.883
   44    HD3  ARG   5          1HD       ARG   5  -2.108   5.359  -5.229
   45    HE   ARG   5           HE       ARG   5  -4.221   6.058  -3.324
   46   HH11  ARG   5          1HH1      ARG   5  -3.086   5.628  -6.674
   47   HH12  ARG   5          2HH1      ARG   5  -4.585   5.983  -7.375
   48   HH21  ARG   5          1HH2      ARG   5  -6.309   6.568  -4.338
   49   HH22  ARG   5          2HH2      ARG   5  -6.466   6.529  -6.028
   50    H    VAL   6           HN       VAL   6  -1.816   1.515  -1.477
   51    HA   VAL   6           HA       VAL   6  -1.763  -0.512  -3.603
   52    HB   VAL   6           HB       VAL   6  -2.476  -0.930  -0.697
   53   HG11  VAL   6          1HG1      VAL   6  -2.292  -3.309  -1.209
   54   HG12  VAL   6          2HG1      VAL   6  -1.964  -2.919  -2.898
   55   HG13  VAL   6          3HG1      VAL   6  -3.528  -2.515  -2.186
   56   HG21  VAL   6          1HG2      VAL   6  -0.117  -0.373  -0.844
   57   HG22  VAL   6          2HG2      VAL   6   0.111  -1.603  -2.087
   58   HG23  VAL   6          3HG2      VAL   6  -0.324  -2.078  -0.445
   59    H    CYS   7           HN       CYS   7  -3.681  -0.753  -4.578
   60    HA   CYS   7           HA       CYS   7  -6.028   0.247  -3.157
   61    HB2  CYS   7          2HB       CYS   7  -5.564  -0.000  -6.134
   62    HB3  CYS   7          1HB       CYS   7  -7.113   0.422  -5.404
   63    H    TYR   8           HN       TYR   8  -7.273  -1.173  -2.363
   64    HA   TYR   8           HA       TYR   8  -7.456  -3.838  -3.552
   65    HB2  TYR   8          2HB       TYR   8  -5.981  -3.879  -1.581
   66    HB3  TYR   8          1HB       TYR   8  -7.219  -3.051  -0.659
   67    HD1  TYR   8          1HD       TYR   8  -6.725  -6.236  -2.564
   68    HD2  TYR   8          2HD       TYR   8  -8.650  -4.279   0.688
   69    HE1  TYR   8          1HE       TYR   8  -7.610  -8.385  -1.801
   70    HE2  TYR   8          2HE       TYR   8  -9.542  -6.417   1.463
   71    HH   TYR   8           HH       TYR   8  -8.401  -9.380   0.344
   72    H    ARG   9           HN       ARG   9  -9.434  -3.820  -4.315
   73    HA   ARG   9           HA       ARG   9 -11.674  -3.774  -4.498
   74    HB2  ARG   9          2HB       ARG   9 -11.477  -4.024  -1.501
   75    HB3  ARG   9          1HB       ARG   9 -12.989  -4.174  -2.391
   76    HG2  ARG   9          2HG       ARG   9 -12.167  -6.078  -3.590
   77    HG3  ARG   9          1HG       ARG   9 -10.564  -5.878  -2.880
   78    HD2  ARG   9          2HD       ARG   9 -11.850  -7.670  -1.847
   79    HD3  ARG   9          1HD       ARG   9 -11.442  -6.402  -0.694
   80    HE   ARG   9           HE       ARG   9 -13.872  -5.675  -1.498
   81   HH11  ARG   9          1HH1      ARG   9 -12.701  -8.886  -0.543
   82   HH12  ARG   9          2HH1      ARG   9 -14.136  -9.301   0.275
   83   HH21  ARG   9          1HH2      ARG   9 -15.829  -6.274  -0.397
   84   HH22  ARG   9          2HH2      ARG   9 -15.938  -7.796   0.368
   85    H    GLY  10           HN       GLY  10 -10.285  -1.304  -4.328
   86    HA2  GLY  10          2HA       GLY  10 -11.273   0.798  -4.853
   87    HA3  GLY  10          1HA       GLY  10 -12.593   0.411  -3.753
   88    H    ILE  11           HN       ILE  11 -10.381  -0.554  -1.844
   89    HA   ILE  11           HA       ILE  11 -10.105   2.037  -0.563
   90    HB   ILE  11           HB       ILE  11  -9.280  -0.710   0.441
   91   HG12  ILE  11          2HG1      ILE  11 -11.810   0.844   1.063
   92   HG13  ILE  11          1HG1      ILE  11 -11.723  -0.555   0.001
   93   HG21  ILE  11          1HG2      ILE  11  -9.711   1.891   1.928
   94   HG22  ILE  11          2HG2      ILE  11  -8.149   1.188   1.534
   95   HG23  ILE  11          3HG2      ILE  11  -9.234   0.353   2.650
   96   HD11  ILE  11          1HD1      ILE  11 -11.083  -0.538   2.941
   97   HD12  ILE  11          2HD1      ILE  11 -11.031  -1.942   1.877
   98   HD13  ILE  11          3HD1      ILE  11 -12.567  -1.144   2.211
   99    H    CYS  12           HN       CYS  12  -8.313   3.179  -1.062
  100    HA   CYS  12           HA       CYS  12  -5.920   1.638  -1.684
  101    HB2  CYS  12          2HB       CYS  12  -6.393   4.565  -2.267
  102    HB3  CYS  12          1HB       CYS  12  -5.048   3.590  -2.791
  103    H    TYR  13           HN       TYR  13  -4.409   1.591  -0.294
  104    HA   TYR  13           HA       TYR  13  -4.258   3.641   1.772
  105    HB2  TYR  13          2HB       TYR  13  -3.609   1.739   3.362
  106    HB3  TYR  13          1HB       TYR  13  -5.306   1.883   2.939
  107    HD1  TYR  13          1HD       TYR  13  -6.454   0.066   1.976
  108    HD2  TYR  13          2HD       TYR  13  -2.211  -0.049   2.177
  109    HE1  TYR  13          1HE       TYR  13  -6.490  -2.291   1.289
  110    HE2  TYR  13          2HE       TYR  13  -2.241  -2.401   1.496
  111    HH   TYR  13           HH       TYR  13  -3.709  -4.271   1.477
  112    H    ARG  14           HN       ARG  14  -2.116   3.648   2.860
  113    HA   ARG  14           HA       ARG  14  -0.052   3.233   0.827
  114    HB2  ARG  14          2HB       ARG  14  -0.337   5.518   1.744
  115    HB3  ARG  14          1HB       ARG  14  -0.019   4.899   3.352
  116    HG2  ARG  14          2HG       ARG  14   1.943   6.013   2.522
  117    HG3  ARG  14          1HG       ARG  14   2.262   4.290   2.650
  118    HD2  ARG  14          2HD       ARG  14   3.174   5.264   0.572
  119    HD3  ARG  14          1HD       ARG  14   1.975   4.018   0.254
  120    HE   ARG  14           HE       ARG  14   0.576   6.355   0.234
  121   HH11  ARG  14          1HH1      ARG  14   3.497   5.344  -1.561
  122   HH12  ARG  14          2HH1      ARG  14   3.013   6.139  -2.980
  123   HH21  ARG  14          1HH2      ARG  14   0.014   7.447  -1.690
  124   HH22  ARG  14          2HH2      ARG  14   1.019   7.358  -3.065
  125    H    ARG  15           HN       ARG  15   1.323   1.608   1.059
  126    HA   ARG  15           HA       ARG  15   1.798   0.540   3.745
  127    HB2  ARG  15          2HB       ARG  15   1.530  -0.853   1.097
  128    HB3  ARG  15          1HB       ARG  15   2.349  -1.635   2.454
  129    HG2  ARG  15          2HG       ARG  15  -0.471  -0.644   2.381
  130    HG3  ARG  15          1HG       ARG  15   0.012  -2.326   2.140
  131    HD2  ARG  15          2HD       ARG  15   0.425  -0.689   4.659
  132    HD3  ARG  15          1HD       ARG  15  -0.792  -1.937   4.424
  133    HE   ARG  15           HE       ARG  15   1.822  -2.917   3.912
  134   HH11  ARG  15          1HH1      ARG  15  -0.356  -2.131   6.613
  135   HH12  ARG  15          2HH1      ARG  15   0.333  -3.271   7.653
  136   HH21  ARG  15          1HH2      ARG  15   2.720  -4.477   5.335
  137   HH22  ARG  15          2HH2      ARG  15   2.118  -4.660   6.919
  138    H    CYS  16           HN       CYS  16   3.958  -0.166   4.133
  139    HA   CYS  16           HA       CYS  16   5.873   0.957   2.230
  140    HB2  CYS  16          2HB       CYS  16   5.990   1.216   5.236
  141    HB3  CYS  16          1HB       CYS  16   7.264   1.702   4.128
  142    H    ARG  17           HN       ARG  17   7.467  -0.256   1.695
  143    HA   ARG  17           HA       ARG  17   8.118  -2.598   3.324
  144    HB2  ARG  17          2HB       ARG  17   7.026  -3.235   1.192
  145    HB3  ARG  17          1HB       ARG  17   8.243  -2.317   0.309
  146    HG2  ARG  17          2HG       ARG  17   9.966  -3.823   1.201
  147    HG3  ARG  17          1HG       ARG  17   8.697  -4.753   2.003
  148    HD2  ARG  17          2HD       ARG  17   7.653  -5.142  -0.191
  149    HD3  ARG  17          1HD       ARG  17   9.007  -4.312  -0.953
  150    HE   ARG  17           HE       ARG  17  10.122  -6.234   0.623
  151   HH11  ARG  17          1HH1      ARG  17   7.953  -6.182  -2.159
  152   HH12  ARG  17          2HH1      ARG  17   8.361  -7.742  -2.692
  153   HH21  ARG  17          1HH2      ARG  17  10.674  -8.386  -0.093
  154   HH22  ARG  17          2HH2      ARG  17   9.910  -9.042  -1.460
  155    H    GLY  18           HN       GLY  18   9.843  -1.821   4.342
  156    HA2  GLY  18          2HA       GLY  18  12.006  -1.123   4.631
  157    HA3  GLY  18          1HA       GLY  18  12.197  -1.098   2.875
  Start of MODEL   14
    1    H1   LYS   1           HN       LYS   1  12.579   0.676   2.269
    2    HA   LYS   1           HA       LYS   1  11.578   3.251   3.249
    3    HB2  LYS   1          2HB       LYS   1  13.536   4.238   2.129
    4    HB3  LYS   1          1HB       LYS   1  14.000   3.055   3.338
    5    HG2  LYS   1          2HG       LYS   1  14.448   1.423   1.607
    6    HG3  LYS   1          1HG       LYS   1  13.902   2.560   0.371
    7    HD2  LYS   1          2HD       LYS   1  15.681   4.115   1.071
    8    HD3  LYS   1          1HD       LYS   1  16.240   2.914   2.229
    9    HE2  LYS   1          2HE       LYS   1  16.767   1.375   0.475
   10    HE3  LYS   1          1HE       LYS   1  16.060   2.438  -0.738
   11    HZ1  LYS   1          1HZ       LYS   1  17.764   4.072  -0.217
   12    HZ2  LYS   1          2HZ       LYS   1  18.464   2.611  -0.684
   13    HZ3  LYS   1          3HZ       LYS   1  18.416   3.041   0.943
   14    H    TRP   2           HN       TRP   2  10.485   1.166   1.339
   15    HA   TRP   2           HA       TRP   2  10.002   2.970  -0.899
   16    HB2  TRP   2          2HB       TRP   2  11.146   0.888  -1.556
   17    HB3  TRP   2          1HB       TRP   2   9.865  -0.052  -0.807
   18    HD1  TRP   2          1HD       TRP   2   9.760   2.836  -3.417
   19    HE1  TRP   2          1HE       TRP   2   8.309   2.048  -5.411
   20    HE3  TRP   2          3HE       TRP   2   8.687  -1.901  -1.822
   21    HZ2  TRP   2          2HZ       TRP   2   6.917  -0.281  -6.195
   22    HZ3  TRP   2          3HZ       TRP   2   7.311  -3.343  -3.255
   23    HH2  TRP   2          2HH       TRP   2   6.446  -2.545  -5.396
   24    H    CYS   3           HN       CYS   3   8.176   3.901  -0.668
   25    HA   CYS   3           HA       CYS   3   5.952   2.503   0.616
   26    HB2  CYS   3          2HB       CYS   3   6.510   5.447   0.296
   27    HB3  CYS   3          1HB       CYS   3   4.985   4.804   0.879
   28    H    PHE   4           HN       PHE   4   4.148   2.212  -0.424
   29    HA   PHE   4           HA       PHE   4   3.793   3.354  -3.051
   30    HB2  PHE   4          2HB       PHE   4   3.245   1.020  -3.917
   31    HB3  PHE   4          1HB       PHE   4   4.944   1.365  -3.639
   32    HD1  PHE   4          1HD       PHE   4   6.079   0.397  -1.621
   33    HD2  PHE   4          2HD       PHE   4   2.143  -0.721  -2.753
   34    HE1  PHE   4          1HE       PHE   4   6.258  -1.605  -0.216
   35    HE2  PHE   4          2HE       PHE   4   2.311  -2.718  -1.345
   36    HZ   PHE   4           HZ       PHE   4   4.370  -3.171  -0.071
   37    H    ARG   5           HN       ARG   5   1.623   2.951  -3.881
   38    HA   ARG   5           HA       ARG   5  -0.311   2.901  -1.674
   39    HB2  ARG   5          2HB       ARG   5  -0.122   5.007  -2.978
   40    HB3  ARG   5          1HB       ARG   5  -0.528   4.111  -4.432
   41    HG2  ARG   5          2HG       ARG   5  -2.730   3.587  -3.461
   42    HG3  ARG   5          1HG       ARG   5  -2.311   4.564  -2.049
   43    HD2  ARG   5          2HD       ARG   5  -1.982   6.503  -3.512
   44    HD3  ARG   5          1HD       ARG   5  -2.466   5.543  -4.903
   45    HE   ARG   5           HE       ARG   5  -4.206   6.180  -2.621
   46   HH11  ARG   5          1HH1      ARG   5  -3.822   5.543  -6.104
   47   HH12  ARG   5          2HH1      ARG   5  -5.391   6.051  -6.497
   48   HH21  ARG   5          1HH2      ARG   5  -6.397   6.830  -3.198
   49   HH22  ARG   5          2HH2      ARG   5  -6.886   6.799  -4.817
   50    H    VAL   6           HN       VAL   6  -1.822   1.321  -1.687
   51    HA   VAL   6           HA       VAL   6  -2.088  -0.304  -4.116
   52    HB   VAL   6           HB       VAL   6  -2.158  -1.333  -1.258
   53   HG11  VAL   6          1HG1      VAL   6  -2.225  -3.573  -2.277
   54   HG12  VAL   6          2HG1      VAL   6  -2.289  -2.833  -3.878
   55   HG13  VAL   6          3HG1      VAL   6  -3.617  -2.595  -2.747
   56   HG21  VAL   6          1HG2      VAL   6  -0.086  -2.532  -1.786
   57   HG22  VAL   6          2HG2      VAL   6   0.119  -0.783  -1.869
   58   HG23  VAL   6          3HG2      VAL   6  -0.027  -1.725  -3.354
   59    H    CYS   7           HN       CYS   7  -4.169  -0.548  -4.724
   60    HA   CYS   7           HA       CYS   7  -6.182   0.257  -2.784
   61    HB2  CYS   7          2HB       CYS   7  -6.305   0.361  -5.807
   62    HB3  CYS   7          1HB       CYS   7  -7.593   0.824  -4.699
   63    H    TYR   8           HN       TYR   8  -7.292  -1.312  -2.019
   64    HA   TYR   8           HA       TYR   8  -7.456  -3.764  -3.553
   65    HB2  TYR   8          2HB       TYR   8  -6.158  -3.959  -1.449
   66    HB3  TYR   8          1HB       TYR   8  -7.563  -3.378  -0.567
   67    HD1  TYR   8          1HD       TYR   8  -8.802  -4.972   0.517
   68    HD2  TYR   8          2HD       TYR   8  -6.796  -6.067  -3.064
   69    HE1  TYR   8          1HE       TYR   8  -9.641  -7.256   0.750
   70    HE2  TYR   8          2HE       TYR   8  -7.628  -8.356  -2.845
   71    HH   TYR   8           HH       TYR   8  -8.432  -9.847  -0.999
   72    H    ARG   9           HN       ARG   9  -9.264  -3.598  -4.539
   73    HA   ARG   9           HA       ARG   9 -11.422  -3.613  -5.005
   74    HB2  ARG   9          2HB       ARG   9 -11.894  -3.717  -2.023
   75    HB3  ARG   9          1HB       ARG   9 -13.112  -3.979  -3.260
   76    HG2  ARG   9          2HG       ARG   9 -11.946  -5.960  -4.020
   77    HG3  ARG   9          1HG       ARG   9 -10.686  -5.692  -2.806
   78    HD2  ARG   9          2HD       ARG   9 -12.373  -5.839  -1.044
   79    HD3  ARG   9          1HD       ARG   9 -13.606  -6.144  -2.264
   80    HE   ARG   9           HE       ARG   9 -11.487  -7.993  -2.460
   81   HH11  ARG   9          1HH1      ARG   9 -14.359  -7.219  -0.558
   82   HH12  ARG   9          2HH1      ARG   9 -14.606  -8.817  -0.018
   83   HH21  ARG   9          1HH2      ARG   9 -11.822 -10.186  -1.728
   84   HH22  ARG   9          2HH2      ARG   9 -13.141 -10.544  -0.723
   85    H    GLY  10           HN       GLY  10  -9.924  -1.152  -4.311
   86    HA2  GLY  10          2HA       GLY  10 -10.766   1.021  -4.966
   87    HA3  GLY  10          1HA       GLY  10 -12.248   0.654  -4.096
   88    H    ILE  11           HN       ILE  11 -10.470  -0.535  -1.928
   89    HA   ILE  11           HA       ILE  11 -10.194   1.912  -0.408
   90    HB   ILE  11           HB       ILE  11  -9.640  -0.980   0.348
   91   HG12  ILE  11          2HG1      ILE  11 -12.006   0.784   1.029
   92   HG13  ILE  11          1HG1      ILE  11 -12.013  -0.500  -0.174
   93   HG21  ILE  11          1HG2      ILE  11  -9.642  -0.182   2.682
   94   HG22  ILE  11          2HG2      ILE  11  -9.791   1.478   2.106
   95   HG23  ILE  11          3HG2      ILE  11  -8.341   0.546   1.735
   96   HD11  ILE  11          1HD1      ILE  11 -11.543  -0.860   2.777
   97   HD12  ILE  11          2HD1      ILE  11 -11.597  -2.140   1.567
   98   HD13  ILE  11          3HD1      ILE  11 -13.048  -1.197   1.918
   99    H    CYS  12           HN       CYS  12  -8.340   3.019  -0.476
  100    HA   CYS  12           HA       CYS  12  -5.952   1.548  -1.340
  101    HB2  CYS  12          2HB       CYS  12  -6.348   4.526  -1.483
  102    HB3  CYS  12          1HB       CYS  12  -5.082   3.572  -2.219
  103    H    TYR  13           HN       TYR  13  -4.438   1.240  -0.012
  104    HA   TYR  13           HA       TYR  13  -4.234   2.980   2.309
  105    HB2  TYR  13          2HB       TYR  13  -3.240   0.860   3.439
  106    HB3  TYR  13          1HB       TYR  13  -4.986   1.015   3.290
  107    HD1  TYR  13          1HD       TYR  13  -6.231  -0.656   2.238
  108    HD2  TYR  13          2HD       TYR  13  -2.022  -0.565   1.681
  109    HE1  TYR  13          1HE       TYR  13  -6.338  -2.834   1.126
  110    HE2  TYR  13          2HE       TYR  13  -2.119  -2.746   0.566
  111    HH   TYR  13           HH       TYR  13  -3.631  -4.712   0.554
  112    H    ARG  14           HN       ARG  14  -2.158   3.201   3.218
  113    HA   ARG  14           HA       ARG  14  -0.144   3.425   1.127
  114    HB2  ARG  14          2HB       ARG  14  -0.796   5.387   2.517
  115    HB3  ARG  14          1HB       ARG  14  -0.195   4.542   3.930
  116    HG2  ARG  14          2HG       ARG  14   1.419   6.164   3.155
  117    HG3  ARG  14          1HG       ARG  14   2.051   4.528   2.963
  118    HD2  ARG  14          2HD       ARG  14   1.537   4.561   0.601
  119    HD3  ARG  14          1HD       ARG  14   0.756   6.137   0.759
  120    HE   ARG  14           HE       ARG  14   3.360   6.265   1.721
  121   HH11  ARG  14          1HH1      ARG  14   1.663   5.939  -1.371
  122   HH12  ARG  14          2HH1      ARG  14   2.824   6.778  -2.280
  123   HH21  ARG  14          1HH2      ARG  14   4.995   7.465   0.436
  124   HH22  ARG  14          2HH2      ARG  14   4.735   7.658  -1.236
  125    H    ARG  15           HN       ARG  15   1.175   1.747   0.957
  126    HA   ARG  15           HA       ARG  15   1.888   0.293   3.383
  127    HB2  ARG  15          2HB       ARG  15   1.784  -0.503   0.501
  128    HB3  ARG  15          1HB       ARG  15   2.667  -1.455   1.713
  129    HG2  ARG  15          2HG       ARG  15  -0.210  -0.708   1.843
  130    HG3  ARG  15          1HG       ARG  15   0.348  -2.231   1.130
  131    HD2  ARG  15          2HD       ARG  15   0.748  -1.310   3.988
  132    HD3  ARG  15          1HD       ARG  15  -0.382  -2.543   3.440
  133    HE   ARG  15           HE       ARG  15   1.998  -3.405   2.508
  134   HH11  ARG  15          1HH1      ARG  15   0.857  -2.534   5.756
  135   HH12  ARG  15          2HH1      ARG  15   1.909  -3.621   6.530
  136   HH21  ARG  15          1HH2      ARG  15   3.444  -4.856   3.616
  137   HH22  ARG  15          2HH2      ARG  15   3.407  -4.940   5.316
  138    H    CYS  16           HN       CYS  16   3.953   0.101   3.938
  139    HA   CYS  16           HA       CYS  16   5.982   1.197   2.155
  140    HB2  CYS  16          2HB       CYS  16   5.565   1.871   5.049
  141    HB3  CYS  16          1HB       CYS  16   7.049   2.258   4.176
  142    H    ARG  17           HN       ARG  17   7.232  -0.451   1.757
  143    HA   ARG  17           HA       ARG  17   7.867  -2.253   3.993
  144    HB2  ARG  17          2HB       ARG  17   6.744  -3.199   1.804
  145    HB3  ARG  17          1HB       ARG  17   8.321  -2.947   1.079
  146    HG2  ARG  17          2HG       ARG  17   7.802  -4.710   3.486
  147    HG3  ARG  17          1HG       ARG  17   7.917  -5.293   1.832
  148    HD2  ARG  17          2HD       ARG  17  10.247  -4.558   1.753
  149    HD3  ARG  17          1HD       ARG  17  10.107  -3.905   3.386
  150    HE   ARG  17           HE       ARG  17   9.399  -6.481   3.709
  151   HH11  ARG  17          1HH1      ARG  17  12.262  -4.996   2.254
  152   HH12  ARG  17          2HH1      ARG  17  13.288  -6.319   2.577
  153   HH21  ARG  17          1HH2      ARG  17  10.822  -8.292   4.173
  154   HH22  ARG  17          2HH2      ARG  17  12.454  -8.223   3.671
  155    H    GLY  18           HN       GLY  18   9.576  -1.351   4.825
  156    HA2  GLY  18          2HA       GLY  18  11.799  -0.825   4.959
  157    HA3  GLY  18          1HA       GLY  18  11.928  -1.097   3.218
  Start of MODEL   15
    1    H1   LYS   1           HN       LYS   1  12.413   1.080   2.403
    2    HA   LYS   1           HA       LYS   1  11.347   3.409   3.836
    3    HB2  LYS   1          2HB       LYS   1  12.993   4.793   2.626
    4    HB3  LYS   1          1HB       LYS   1  13.751   3.541   3.597
    5    HG2  LYS   1          2HG       LYS   1  14.167   2.217   1.622
    6    HG3  LYS   1          1HG       LYS   1  13.319   3.401   0.624
    7    HD2  LYS   1          2HD       LYS   1  14.986   5.079   1.156
    8    HD3  LYS   1          1HD       LYS   1  15.800   3.962   2.250
    9    HE2  LYS   1          2HE       LYS   1  16.961   4.094   0.104
   10    HE3  LYS   1          1HE       LYS   1  16.308   2.485   0.379
   11    HZ1  LYS   1          1HZ       LYS   1  14.458   3.027  -1.090
   12    HZ2  LYS   1          2HZ       LYS   1  15.928   3.178  -1.868
   13    HZ3  LYS   1          3HZ       LYS   1  15.101   4.565  -1.379
   14    H    TRP   2           HN       TRP   2  10.756   1.442   1.241
   15    HA   TRP   2           HA       TRP   2   9.735   3.588  -0.440
   16    HB2  TRP   2          2HB       TRP   2  11.045   1.958  -1.649
   17    HB3  TRP   2          1HB       TRP   2  10.087   0.636  -0.992
   18    HD1  TRP   2          1HD       TRP   2   8.956   3.878  -2.848
   19    HE1  TRP   2          1HE       TRP   2   7.411   3.181  -4.782
   20    HE3  TRP   2          3HE       TRP   2   9.243  -1.195  -2.315
   21    HZ2  TRP   2          2HZ       TRP   2   6.467   0.777  -5.951
   22    HZ3  TRP   2          3HZ       TRP   2   7.990  -2.625  -3.892
   23    HH2  TRP   2          2HH       TRP   2   6.638  -1.650  -5.664
   24    H    CYS   3           HN       CYS   3   7.704   4.141  -0.476
   25    HA   CYS   3           HA       CYS   3   5.751   2.311   0.715
   26    HB2  CYS   3          2HB       CYS   3   5.756   5.330   0.734
   27    HB3  CYS   3          1HB       CYS   3   4.535   4.288   1.452
   28    H    PHE   4           HN       PHE   4   4.338   1.595  -0.688
   29    HA   PHE   4           HA       PHE   4   3.745   3.235  -3.037
   30    HB2  PHE   4          2HB       PHE   4   3.389   1.134  -4.317
   31    HB3  PHE   4          1HB       PHE   4   5.042   1.320  -3.751
   32    HD1  PHE   4          1HD       PHE   4   5.731   0.024  -1.667
   33    HD2  PHE   4          2HD       PHE   4   2.165  -0.782  -3.834
   34    HE1  PHE   4          1HE       PHE   4   5.615  -2.212  -0.647
   35    HE2  PHE   4          2HE       PHE   4   2.053  -3.011  -2.816
   36    HZ   PHE   4           HZ       PHE   4   3.767  -3.724  -1.225
   37    H    ARG   5           HN       ARG   5   1.639   2.844  -3.997
   38    HA   ARG   5           HA       ARG   5  -0.372   2.740  -1.881
   39    HB2  ARG   5          2HB       ARG   5  -0.135   4.780  -3.197
   40    HB3  ARG   5          1HB       ARG   5  -0.389   3.868  -4.670
   41    HG2  ARG   5          2HG       ARG   5  -2.682   3.387  -3.964
   42    HG3  ARG   5          1HG       ARG   5  -2.412   4.320  -2.486
   43    HD2  ARG   5          2HD       ARG   5  -1.951   6.298  -3.761
   44    HD3  ARG   5          1HD       ARG   5  -2.065   5.406  -5.268
   45    HE   ARG   5           HE       ARG   5  -4.312   5.878  -3.446
   46   HH11  ARG   5          1HH1      ARG   5  -3.042   5.439  -6.746
   47   HH12  ARG   5          2HH1      ARG   5  -4.449   5.964  -7.523
   48   HH21  ARG   5          1HH2      ARG   5  -6.302   6.595  -4.551
   49   HH22  ARG   5          2HH2      ARG   5  -6.336   6.622  -6.245
   50    H    VAL   6           HN       VAL   6  -1.878   1.177  -1.844
   51    HA   VAL   6           HA       VAL   6  -2.176  -0.530  -4.216
   52    HB   VAL   6           HB       VAL   6  -2.369  -1.491  -1.349
   53   HG11  VAL   6          1HG1      VAL   6  -2.386  -3.739  -2.332
   54   HG12  VAL   6          2HG1      VAL   6  -2.355  -3.025  -3.944
   55   HG13  VAL   6          3HG1      VAL   6  -3.744  -2.760  -2.891
   56   HG21  VAL   6          1HG2      VAL   6  -0.269  -2.694  -1.712
   57   HG22  VAL   6          2HG2      VAL   6  -0.048  -0.947  -1.837
   58   HG23  VAL   6          3HG2      VAL   6  -0.111  -1.936  -3.295
   59    H    CYS   7           HN       CYS   7  -4.203  -0.567  -4.871
   60    HA   CYS   7           HA       CYS   7  -6.274   0.253  -2.985
   61    HB2  CYS   7          2HB       CYS   7  -6.229   0.419  -6.005
   62    HB3  CYS   7          1HB       CYS   7  -7.602   0.855  -4.993
   63    H    TYR   8           HN       TYR   8  -7.503  -1.252  -2.287
   64    HA   TYR   8           HA       TYR   8  -7.917  -3.669  -3.887
   65    HB2  TYR   8          2HB       TYR   8  -6.409  -3.997  -1.917
   66    HB3  TYR   8          1HB       TYR   8  -7.694  -3.403  -0.889
   67    HD1  TYR   8          1HD       TYR   8  -9.229  -4.893   0.058
   68    HD2  TYR   8          2HD       TYR   8  -6.984  -6.114  -3.343
   69    HE1  TYR   8          1HE       TYR   8 -10.116  -7.171   0.295
   70    HE2  TYR   8          2HE       TYR   8  -7.864  -8.381  -3.122
   71    HH   TYR   8           HH       TYR   8  -8.775  -9.796  -1.307
   72    H    ARG   9           HN       ARG   9  -9.900  -3.375  -4.614
   73    HA   ARG   9           HA       ARG   9 -12.124  -3.090  -4.747
   74    HB2  ARG   9          2HB       ARG   9 -12.010  -3.556  -1.761
   75    HB3  ARG   9          1HB       ARG   9 -13.505  -3.476  -2.680
   76    HG2  ARG   9          2HG       ARG   9 -12.840  -5.423  -3.970
   77    HG3  ARG   9          1HG       ARG   9 -11.298  -5.470  -3.108
   78    HD2  ARG   9          2HD       ARG   9 -12.441  -5.854  -1.030
   79    HD3  ARG   9          1HD       ARG   9 -14.011  -5.750  -1.832
   80    HE   ARG   9           HE       ARG   9 -12.913  -7.695  -3.198
   81   HH11  ARG   9          1HH1      ARG   9 -12.877  -7.187   0.291
   82   HH12  ARG   9          2HH1      ARG   9 -12.806  -8.849   0.671
   83   HH21  ARG   9          1HH2      ARG   9 -12.841  -9.951  -2.675
   84   HH22  ARG   9          2HH2      ARG   9 -12.816 -10.467  -1.058
   85    H    GLY  10           HN       GLY  10 -10.339  -0.858  -4.274
   86    HA2  GLY  10          2HA       GLY  10 -10.926   1.419  -4.531
   87    HA3  GLY  10          1HA       GLY  10 -12.375   1.137  -3.577
   88    H    ILE  11           HN       ILE  11 -10.466  -0.465  -1.741
   89    HA   ILE  11           HA       ILE  11  -9.931   1.714   0.063
   90    HB   ILE  11           HB       ILE  11  -9.177  -1.219   0.252
   91   HG12  ILE  11          2HG1      ILE  11 -11.526   0.203   1.499
   92   HG13  ILE  11          1HG1      ILE  11 -11.631  -0.819   0.069
   93   HG21  ILE  11          1HG2      ILE  11  -7.828   0.178   1.723
   94   HG22  ILE  11          2HG2      ILE  11  -8.955  -0.792   2.671
   95   HG23  ILE  11          3HG2      ILE  11  -9.282   0.915   2.392
   96   HD11  ILE  11          1HD1      ILE  11 -10.737  -1.698   2.795
   97   HD12  ILE  11          2HD1      ILE  11 -10.914  -2.731   1.373
   98   HD13  ILE  11          3HD1      ILE  11 -12.335  -1.976   2.103
   99    H    CYS  12           HN       CYS  12  -8.183   2.910  -0.404
  100    HA   CYS  12           HA       CYS  12  -5.873   1.496  -1.501
  101    HB2  CYS  12          2HB       CYS  12  -6.347   4.462  -1.541
  102    HB3  CYS  12          1HB       CYS  12  -5.066   3.588  -2.344
  103    H    TYR  13           HN       TYR  13  -4.322   1.137  -0.265
  104    HA   TYR  13           HA       TYR  13  -3.870   2.899   2.008
  105    HB2  TYR  13          2HB       TYR  13  -2.931   0.871   3.198
  106    HB3  TYR  13          1HB       TYR  13  -4.672   0.897   2.980
  107    HD1  TYR  13          1HD       TYR  13  -5.767  -0.878   1.875
  108    HD2  TYR  13          2HD       TYR  13  -1.511  -0.620   1.652
  109    HE1  TYR  13          1HE       TYR  13  -5.673  -3.132   0.905
  110    HE2  TYR  13          2HE       TYR  13  -1.437  -2.853   0.694
  111    HH   TYR  13           HH       TYR  13  -2.713  -4.824   0.624
  112    H    ARG  14           HN       ARG  14  -1.662   2.912   2.768
  113    HA   ARG  14           HA       ARG  14   0.175   2.819   0.502
  114    HB2  ARG  14          2HB       ARG  14  -0.239   5.047   1.487
  115    HB3  ARG  14          1HB       ARG  14   0.249   4.442   3.058
  116    HG2  ARG  14          2HG       ARG  14   2.049   5.719   2.133
  117    HG3  ARG  14          1HG       ARG  14   2.509   4.017   2.139
  118    HD2  ARG  14          2HD       ARG  14   3.180   5.058   0.044
  119    HD3  ARG  14          1HD       ARG  14   1.922   3.865  -0.253
  120    HE   ARG  14           HE       ARG  14   0.590   6.205   0.049
  121   HH11  ARG  14          1HH1      ARG  14   3.263   5.227  -2.122
  122   HH12  ARG  14          2HH1      ARG  14   2.743   6.211  -3.388
  123   HH21  ARG  14          1HH2      ARG  14  -0.065   7.575  -1.700
  124   HH22  ARG  14          2HH2      ARG  14   0.852   7.614  -3.141
  125    H    ARG  15           HN       ARG  15   1.484   1.120   0.595
  126    HA   ARG  15           HA       ARG  15   2.089  -0.040   3.209
  127    HB2  ARG  15          2HB       ARG  15   2.296  -1.104   0.448
  128    HB3  ARG  15          1HB       ARG  15   3.085  -1.925   1.810
  129    HG2  ARG  15          2HG       ARG  15   0.178  -1.522   1.185
  130    HG3  ARG  15          1HG       ARG  15   1.057  -3.039   1.314
  131    HD2  ARG  15          2HD       ARG  15   0.323  -1.155   3.554
  132    HD3  ARG  15          1HD       ARG  15  -0.268  -2.788   3.278
  133    HE   ARG  15           HE       ARG  15   2.328  -3.237   3.535
  134   HH11  ARG  15          1HH1      ARG  15   0.026  -1.476   5.554
  135   HH12  ARG  15          2HH1      ARG  15   0.992  -1.513   6.951
  136   HH21  ARG  15          1HH2      ARG  15   3.629  -3.375   5.472
  137   HH22  ARG  15          2HH2      ARG  15   3.091  -2.653   6.912
  138    H    CYS  16           HN       CYS  16   3.904   0.316   4.056
  139    HA   CYS  16           HA       CYS  16   6.112   1.308   2.422
  140    HB2  CYS  16          2HB       CYS  16   5.536   1.529   5.360
  141    HB3  CYS  16          1HB       CYS  16   7.048   2.066   4.628
  142    H    ARG  17           HN       ARG  17   7.498  -0.206   1.838
  143    HA   ARG  17           HA       ARG  17   8.181  -2.196   3.815
  144    HB2  ARG  17          2HB       ARG  17   8.954  -3.586   1.923
  145    HB3  ARG  17          1HB       ARG  17   7.213  -3.343   1.927
  146    HG2  ARG  17          2HG       ARG  17   7.532  -1.653   0.135
  147    HG3  ARG  17          1HG       ARG  17   9.256  -2.020   0.142
  148    HD2  ARG  17          2HD       ARG  17   7.029  -3.970  -0.467
  149    HD3  ARG  17          1HD       ARG  17   8.122  -3.224  -1.634
  150    HE   ARG  17           HE       ARG  17   9.783  -4.458   0.117
  151   HH11  ARG  17          1HH1      ARG  17   7.089  -5.619  -1.897
  152   HH12  ARG  17          2HH1      ARG  17   7.685  -7.198  -2.016
  153   HH21  ARG  17          1HH2      ARG  17  10.565  -6.649  -0.042
  154   HH22  ARG  17          2HH2      ARG  17   9.699  -7.815  -0.928
  155    H    GLY  18           HN       GLY  18   9.856  -1.464   4.807
  156    HA2  GLY  18          2HA       GLY  18  12.038  -0.807   5.129
  157    HA3  GLY  18          1HA       GLY  18  12.269  -0.816   3.379
  Start of MODEL   16
    1    H1   LYS   1           HN       LYS   1  12.890   0.995   2.359
    2    HA   LYS   1           HA       LYS   1  11.929   3.681   3.051
    3    HB2  LYS   1          2HB       LYS   1  14.252   2.859   1.300
    4    HB3  LYS   1          1HB       LYS   1  13.768   4.517   1.644
    5    HG2  LYS   1          2HG       LYS   1  14.119   4.039   4.033
    6    HG3  LYS   1          1HG       LYS   1  14.810   2.489   3.583
    7    HD2  LYS   1          2HD       LYS   1  16.532   3.579   2.234
    8    HD3  LYS   1          1HD       LYS   1  15.861   5.160   2.626
    9    HE2  LYS   1          2HE       LYS   1  17.066   3.208   4.591
   10    HE3  LYS   1          1HE       LYS   1  17.845   4.654   3.969
   11    HZ1  LYS   1          1HZ       LYS   1  16.093   5.987   5.008
   12    HZ2  LYS   1          2HZ       LYS   1  16.921   5.054   6.139
   13    HZ3  LYS   1          3HZ       LYS   1  15.391   4.592   5.652
   14    H    TRP   2           HN       TRP   2  10.894   1.347   1.470
   15    HA   TRP   2           HA       TRP   2  10.086   2.844  -0.925
   16    HB2  TRP   2          2HB       TRP   2  11.312   0.884  -1.571
   17    HB3  TRP   2          1HB       TRP   2  10.374  -0.127  -0.485
   18    HD1  TRP   2          1HD       TRP   2   9.403   2.229  -3.418
   19    HE1  TRP   2          1HE       TRP   2   7.702   0.955  -4.907
   20    HE3  TRP   2          3HE       TRP   2   9.232  -2.173  -0.884
   21    HZ2  TRP   2          2HZ       TRP   2   6.485  -1.569  -4.994
   22    HZ3  TRP   2          3HZ       TRP   2   7.781  -3.983  -1.733
   23    HH2  TRP   2          2HH       TRP   2   6.445  -3.679  -3.749
   24    H    CYS   3           HN       CYS   3   8.179   3.726  -0.528
   25    HA   CYS   3           HA       CYS   3   6.134   2.056   0.721
   26    HB2  CYS   3          2HB       CYS   3   6.240   5.076   0.462
   27    HB3  CYS   3          1HB       CYS   3   4.903   4.168   1.153
   28    H    PHE   4           HN       PHE   4   4.130   1.877  -0.254
   29    HA   PHE   4           HA       PHE   4   3.924   2.818  -2.982
   30    HB2  PHE   4          2HB       PHE   4   3.276   0.473  -3.707
   31    HB3  PHE   4          1HB       PHE   4   4.977   0.722  -3.351
   32    HD1  PHE   4          1HD       PHE   4   2.015  -1.156  -2.560
   33    HD2  PHE   4          2HD       PHE   4   5.900  -0.150  -1.159
   34    HE1  PHE   4          1HE       PHE   4   1.973  -3.094  -1.024
   35    HE2  PHE   4          2HE       PHE   4   5.859  -2.073   0.368
   36    HZ   PHE   4           HZ       PHE   4   3.896  -3.548   0.434
   37    H    ARG   5           HN       ARG   5   1.802   2.598  -3.891
   38    HA   ARG   5           HA       ARG   5  -0.302   2.882  -1.876
   39    HB2  ARG   5          2HB       ARG   5   0.033   4.785  -3.384
   40    HB3  ARG   5          1HB       ARG   5  -0.118   3.727  -4.777
   41    HG2  ARG   5          2HG       ARG   5  -2.459   3.256  -4.104
   42    HG3  ARG   5          1HG       ARG   5  -2.280   4.444  -2.811
   43    HD2  ARG   5          2HD       ARG   5  -1.806   6.176  -4.448
   44    HD3  ARG   5          1HD       ARG   5  -1.929   5.000  -5.758
   45    HE   ARG   5           HE       ARG   5  -4.197   5.515  -3.982
   46   HH11  ARG   5          1HH1      ARG   5  -2.856   5.557  -7.276
   47   HH12  ARG   5          2HH1      ARG   5  -4.350   5.902  -8.016
   48   HH21  ARG   5          1HH2      ARG   5  -6.221   5.972  -5.029
   49   HH22  ARG   5          2HH2      ARG   5  -6.305   6.135  -6.727
   50    H    VAL   6           HN       VAL   6  -1.898   1.349  -1.799
   51    HA   VAL   6           HA       VAL   6  -2.148  -0.430  -4.118
   52    HB   VAL   6           HB       VAL   6  -2.315  -1.304  -1.219
   53   HG11  VAL   6          1HG1      VAL   6  -2.530  -3.590  -2.133
   54   HG12  VAL   6          2HG1      VAL   6  -2.535  -2.927  -3.767
   55   HG13  VAL   6          3HG1      VAL   6  -3.856  -2.551  -2.662
   56   HG21  VAL   6          1HG2      VAL   6  -0.329  -2.667  -1.691
   57   HG22  VAL   6          2HG2      VAL   6  -0.016  -0.939  -1.859
   58   HG23  VAL   6          3HG2      VAL   6  -0.228  -1.940  -3.297
   59    H    CYS   7           HN       CYS   7  -4.127  -0.372  -4.877
   60    HA   CYS   7           HA       CYS   7  -6.298   0.384  -3.072
   61    HB2  CYS   7          2HB       CYS   7  -6.108   0.579  -6.089
   62    HB3  CYS   7          1HB       CYS   7  -7.543   0.944  -5.134
   63    H    TYR   8           HN       TYR   8  -7.471  -1.168  -2.421
   64    HA   TYR   8           HA       TYR   8  -7.674  -3.590  -4.057
   65    HB2  TYR   8          2HB       TYR   8  -6.287  -3.648  -1.890
   66    HB3  TYR   8          1HB       TYR   8  -7.812  -3.439  -1.050
   67    HD1  TYR   8          1HD       TYR   8  -5.505  -5.752  -2.349
   68    HD2  TYR   8          2HD       TYR   8  -9.646  -5.240  -1.601
   69    HE1  TYR   8          1HE       TYR   8  -5.794  -8.168  -2.374
   70    HE2  TYR   8          2HE       TYR   8  -9.955  -7.676  -1.620
   71    HH   TYR   8           HH       TYR   8  -7.422  -9.812  -1.375
   72    H    ARG   9           HN       ARG   9  -9.595  -3.163  -4.973
   73    HA   ARG   9           HA       ARG   9 -11.799  -3.012  -5.306
   74    HB2  ARG   9          2HB       ARG   9 -11.949  -4.153  -2.518
   75    HB3  ARG   9          1HB       ARG   9 -13.301  -4.070  -3.642
   76    HG2  ARG   9          2HG       ARG   9 -12.026  -5.471  -5.222
   77    HG3  ARG   9          1HG       ARG   9 -10.750  -5.616  -4.015
   78    HD2  ARG   9          2HD       ARG   9 -13.603  -6.521  -3.707
   79    HD3  ARG   9          1HD       ARG   9 -12.214  -7.561  -4.011
   80    HE   ARG   9           HE       ARG   9 -11.960  -5.951  -1.645
   81   HH11  ARG   9          1HH1      ARG   9 -13.189  -8.986  -2.942
   82   HH12  ARG   9          2HH1      ARG   9 -13.240  -9.791  -1.446
   83   HH21  ARG   9          1HH2      ARG   9 -11.982  -7.056   0.430
   84   HH22  ARG   9          2HH2      ARG   9 -12.511  -8.675   0.507
   85    H    GLY  10           HN       GLY  10 -10.548  -0.665  -4.373
   86    HA2  GLY  10          2HA       GLY  10 -11.760   1.420  -4.371
   87    HA3  GLY  10          1HA       GLY  10 -12.941   0.670  -3.310
   88    H    ILE  11           HN       ILE  11 -10.561  -0.534  -1.820
   89    HA   ILE  11           HA       ILE  11 -10.177   1.811  -0.119
   90    HB   ILE  11           HB       ILE  11  -9.464  -1.082   0.470
   91   HG12  ILE  11          2HG1      ILE  11 -11.891   0.493   1.365
   92   HG13  ILE  11          1HG1      ILE  11 -11.908  -0.766   0.135
   93   HG21  ILE  11          1HG2      ILE  11  -9.701   1.346   2.261
   94   HG22  ILE  11          2HG2      ILE  11  -8.204   0.544   1.794
   95   HG23  ILE  11          3HG2      ILE  11  -9.374  -0.296   2.813
   96   HD11  ILE  11          1HD1      ILE  11 -12.730  -1.595   2.261
   97   HD12  ILE  11          2HD1      ILE  11 -11.222  -1.132   3.046
   98   HD13  ILE  11          3HD1      ILE  11 -11.228  -2.402   1.823
   99    H    CYS  12           HN       CYS  12  -8.402   2.927  -0.562
  100    HA   CYS  12           HA       CYS  12  -6.054   1.467  -1.520
  101    HB2  CYS  12          2HB       CYS  12  -6.481   4.454  -1.525
  102    HB3  CYS  12          1HB       CYS  12  -5.194   3.562  -2.298
  103    H    TYR  13           HN       TYR  13  -4.417   1.211  -0.290
  104    HA   TYR  13           HA       TYR  13  -4.224   2.870   2.077
  105    HB2  TYR  13          2HB       TYR  13  -3.290   0.745   3.231
  106    HB3  TYR  13          1HB       TYR  13  -5.025   0.939   3.065
  107    HD1  TYR  13          1HD       TYR  13  -2.095  -0.767   1.518
  108    HD2  TYR  13          2HD       TYR  13  -6.300  -0.733   2.050
  109    HE1  TYR  13          1HE       TYR  13  -2.233  -3.005   0.517
  110    HE2  TYR  13          2HE       TYR  13  -6.462  -2.957   1.043
  111    HH   TYR  13           HH       TYR  13  -5.204  -4.405  -0.430
  112    H    ARG  14           HN       ARG  14  -2.219   3.246   2.911
  113    HA   ARG  14           HA       ARG  14  -0.080   3.239   0.926
  114    HB2  ARG  14          2HB       ARG  14  -0.253   4.552   3.653
  115    HB3  ARG  14          1HB       ARG  14   1.022   4.775   2.469
  116    HG2  ARG  14          2HG       ARG  14  -1.843   5.557   2.034
  117    HG3  ARG  14          1HG       ARG  14  -0.581   6.645   2.610
  118    HD2  ARG  14          2HD       ARG  14  -0.567   5.177  -0.030
  119    HD3  ARG  14          1HD       ARG  14  -0.982   6.871   0.220
  120    HE   ARG  14           HE       ARG  14   1.597   6.301   1.253
  121   HH11  ARG  14          1HH1      ARG  14  -0.103   6.987  -1.776
  122   HH12  ARG  14          2HH1      ARG  14   1.293   7.506  -2.600
  123   HH21  ARG  14          1HH2      ARG  14   3.481   7.054   0.144
  124   HH22  ARG  14          2HH2      ARG  14   3.389   7.570  -1.483
  125    H    ARG  15           HN       ARG  15   1.255   1.518   1.026
  126    HA   ARG  15           HA       ARG  15   1.826   0.438   3.696
  127    HB2  ARG  15          2HB       ARG  15   1.810  -0.960   1.026
  128    HB3  ARG  15          1HB       ARG  15   2.468  -1.676   2.493
  129    HG2  ARG  15          2HG       ARG  15  -0.346  -0.739   2.142
  130    HG3  ARG  15          1HG       ARG  15   0.151  -2.413   1.860
  131    HD2  ARG  15          2HD       ARG  15  -0.827  -2.295   4.048
  132    HD3  ARG  15          1HD       ARG  15   0.909  -2.438   4.284
  133    HE   ARG  15           HE       ARG  15   0.049   0.284   4.259
  134   HH11  ARG  15          1HH1      ARG  15   0.115  -2.565   6.364
  135   HH12  ARG  15          2HH1      ARG  15   0.279  -1.643   7.790
  136   HH21  ARG  15          1HH2      ARG  15   0.186   1.500   6.191
  137   HH22  ARG  15          2HH2      ARG  15   0.277   0.709   7.705
  138    H    CYS  16           HN       CYS  16   3.969  -0.073   4.199
  139    HA   CYS  16           HA       CYS  16   5.908   1.028   2.332
  140    HB2  CYS  16          2HB       CYS  16   5.769   1.539   5.297
  141    HB3  CYS  16          1HB       CYS  16   7.175   1.898   4.305
  142    H    ARG  17           HN       ARG  17   7.759   0.014   2.146
  143    HA   ARG  17           HA       ARG  17   8.402  -2.109   4.010
  144    HB2  ARG  17          2HB       ARG  17   7.465  -3.195   2.026
  145    HB3  ARG  17          1HB       ARG  17   8.529  -2.253   0.989
  146    HG2  ARG  17          2HG       ARG  17  10.468  -3.338   2.050
  147    HG3  ARG  17          1HG       ARG  17   9.357  -4.319   3.002
  148    HD2  ARG  17          2HD       ARG  17   8.479  -5.324   1.003
  149    HD3  ARG  17          1HD       ARG  17   9.493  -4.282  -0.002
  150    HE   ARG  17           HE       ARG  17  11.232  -5.503   1.671
  151   HH11  ARG  17          1HH1      ARG  17   8.829  -6.727  -0.591
  152   HH12  ARG  17          2HH1      ARG  17   9.690  -8.141  -0.954
  153   HH21  ARG  17          1HH2      ARG  17  12.407  -7.385   1.196
  154   HH22  ARG  17          2HH2      ARG  17  11.811  -8.533   0.083
  155    H    GLY  18           HN       GLY  18   9.904  -0.879   4.974
  156    HA2  GLY  18          2HA       GLY  18  12.036  -0.130   5.315
  157    HA3  GLY  18          1HA       GLY  18  12.421  -0.597   3.657
  Start of MODEL   17
    1    H1   LYS   1           HN       LYS   1  12.199   0.257   1.686
    2    HA   LYS   1           HA       LYS   1  11.393   2.343   3.579
    3    HB2  LYS   1          2HB       LYS   1  13.115   3.788   2.726
    4    HB3  LYS   1          1HB       LYS   1  13.861   2.272   3.188
    5    HG2  LYS   1          2HG       LYS   1  14.085   1.622   0.887
    6    HG3  LYS   1          1HG       LYS   1  13.136   3.019   0.364
    7    HD2  LYS   1          2HD       LYS   1  14.869   4.498   1.370
    8    HD3  LYS   1          1HD       LYS   1  15.837   3.067   1.712
    9    HE2  LYS   1          2HE       LYS   1  14.952   3.970  -1.037
   10    HE3  LYS   1          1HE       LYS   1  16.543   4.253  -0.347
   11    HZ1  LYS   1          1HZ       LYS   1  15.375   1.570  -0.866
   12    HZ2  LYS   1          2HZ       LYS   1  16.925   1.873  -0.310
   13    HZ3  LYS   1          3HZ       LYS   1  16.465   2.362  -1.867
   14    H    TRP   2           HN       TRP   2  10.344   0.820   0.970
   15    HA   TRP   2           HA       TRP   2   9.680   3.196  -0.556
   16    HB2  TRP   2          2HB       TRP   2  10.620   1.306  -1.807
   17    HB3  TRP   2          1HB       TRP   2   9.320   0.272  -1.235
   18    HD1  TRP   2          1HD       TRP   2   8.936   3.829  -2.730
   19    HE1  TRP   2          1HE       TRP   2   7.440   3.659  -4.823
   20    HE3  TRP   2          3HE       TRP   2   8.374  -1.246  -2.932
   21    HZ2  TRP   2          2HZ       TRP   2   6.217   1.664  -6.358
   22    HZ3  TRP   2          3HZ       TRP   2   7.030  -2.197  -4.763
   23    HH2  TRP   2          2HH       TRP   2   5.982  -0.763  -6.434
   24    H    CYS   3           HN       CYS   3   7.876   4.167  -0.184
   25    HA   CYS   3           HA       CYS   3   5.618   2.695   0.959
   26    HB2  CYS   3          2HB       CYS   3   6.199   5.670   0.994
   27    HB3  CYS   3          1HB       CYS   3   4.844   4.852   1.766
   28    H    PHE   4           HN       PHE   4   4.004   2.354  -0.342
   29    HA   PHE   4           HA       PHE   4   3.640   4.082  -2.654
   30    HB2  PHE   4          2HB       PHE   4   3.352   2.110  -4.119
   31    HB3  PHE   4          1HB       PHE   4   4.981   2.254  -3.483
   32    HD1  PHE   4          1HD       PHE   4   2.072   0.165  -3.779
   33    HD2  PHE   4          2HD       PHE   4   5.674   0.722  -1.584
   34    HE1  PHE   4          1HE       PHE   4   1.968  -2.171  -3.012
   35    HE2  PHE   4          2HE       PHE   4   5.569  -1.603  -0.808
   36    HZ   PHE   4           HZ       PHE   4   3.715  -3.059  -1.525
   37    H    ARG   5           HN       ARG   5   1.612   3.770  -3.725
   38    HA   ARG   5           HA       ARG   5  -0.585   3.584  -1.897
   39    HB2  ARG   5          2HB       ARG   5  -0.614   5.232  -3.675
   40    HB3  ARG   5          1HB       ARG   5  -0.415   3.977  -4.887
   41    HG2  ARG   5          2HG       ARG   5  -2.623   3.099  -4.363
   42    HG3  ARG   5          1HG       ARG   5  -2.826   4.320  -3.108
   43    HD2  ARG   5          2HD       ARG   5  -2.652   6.085  -4.781
   44    HD3  ARG   5          1HD       ARG   5  -2.366   4.864  -6.020
   45    HE   ARG   5           HE       ARG   5  -4.683   4.048  -5.177
   46   HH11  ARG   5          1HH1      ARG   5  -3.672   7.395  -5.774
   47   HH12  ARG   5          2HH1      ARG   5  -5.234   7.953  -6.163
   48   HH21  ARG   5          1HH2      ARG   5  -6.848   4.825  -5.710
   49   HH22  ARG   5          2HH2      ARG   5  -7.080   6.453  -6.123
   50    H    VAL   6           HN       VAL   6  -1.690   1.825  -1.467
   51    HA   VAL   6           HA       VAL   6  -1.472  -0.493  -3.259
   52    HB   VAL   6           HB       VAL   6  -2.073  -0.469  -0.286
   53   HG11  VAL   6          1HG1      VAL   6  -3.114  -2.336  -1.432
   54   HG12  VAL   6          2HG1      VAL   6  -1.800  -2.895  -0.401
   55   HG13  VAL   6          3HG1      VAL   6  -1.564  -2.788  -2.143
   56   HG21  VAL   6          1HG2      VAL   6   0.463  -1.246  -1.708
   57   HG22  VAL   6          2HG2      VAL   6   0.134  -1.501   0.003
   58   HG23  VAL   6          3HG2      VAL   6   0.239   0.141  -0.639
   59    H    CYS   7           HN       CYS   7  -3.389  -0.952  -4.213
   60    HA   CYS   7           HA       CYS   7  -5.759   0.064  -2.862
   61    HB2  CYS   7          2HB       CYS   7  -5.358  -0.367  -5.828
   62    HB3  CYS   7          1HB       CYS   7  -6.874   0.119  -5.076
   63    H    TYR   8           HN       TYR   8  -7.163  -1.242  -2.153
   64    HA   TYR   8           HA       TYR   8  -7.147  -4.027  -3.036
   65    HB2  TYR   8          2HB       TYR   8  -5.880  -3.751  -0.926
   66    HB3  TYR   8          1HB       TYR   8  -7.292  -2.971  -0.227
   67    HD1  TYR   8          1HD       TYR   8  -8.968  -4.237   0.810
   68    HD2  TYR   8          2HD       TYR   8  -6.060  -6.190  -1.591
   69    HE1  TYR   8          1HE       TYR   8  -9.755  -6.401   1.642
   70    HE2  TYR   8          2HE       TYR   8  -6.827  -8.360  -0.777
   71    HH   TYR   8           HH       TYR   8  -7.969  -9.259   1.136
   72    H    ARG   9           HN       ARG   9  -9.018  -4.017  -4.080
   73    HA   ARG   9           HA       ARG   9 -11.247  -4.128  -4.477
   74    HB2  ARG   9          2HB       ARG   9 -11.418  -4.051  -1.462
   75    HB3  ARG   9          1HB       ARG   9 -12.781  -4.396  -2.519
   76    HG2  ARG   9          2HG       ARG   9 -11.637  -6.369  -3.376
   77    HG3  ARG   9          1HG       ARG   9 -10.244  -6.007  -2.359
   78    HD2  ARG   9          2HD       ARG   9 -11.631  -7.748  -1.373
   79    HD3  ARG   9          1HD       ARG   9 -11.615  -6.309  -0.365
   80    HE   ARG   9           HE       ARG   9 -13.798  -5.908  -1.813
   81   HH11  ARG   9          1HH1      ARG   9 -12.718  -8.829  -0.121
   82   HH12  ARG   9          2HH1      ARG   9 -14.278  -9.348   0.295
   83   HH21  ARG   9          1HH2      ARG   9 -15.956  -6.628  -1.251
   84   HH22  ARG   9          2HH2      ARG   9 -16.164  -8.062  -0.360
   85    H    GLY  10           HN       GLY  10  -9.921  -1.540  -4.329
   86    HA2  GLY  10          2HA       GLY  10 -10.956   0.461  -5.149
   87    HA3  GLY  10          1HA       GLY  10 -12.348   0.112  -4.130
   88    H    ILE  11           HN       ILE  11 -10.340  -0.655  -1.993
   89    HA   ILE  11           HA       ILE  11 -10.169   1.997  -0.842
   90    HB   ILE  11           HB       ILE  11  -9.474  -0.708   0.337
   91   HG12  ILE  11          2HG1      ILE  11 -11.960   0.974   0.702
   92   HG13  ILE  11          1HG1      ILE  11 -11.857  -0.490  -0.267
   93   HG21  ILE  11          1HG2      ILE  11  -9.537   0.433   2.502
   94   HG22  ILE  11          2HG2      ILE  11  -9.863   1.965   1.698
   95   HG23  ILE  11          3HG2      ILE  11  -8.316   1.154   1.451
   96   HD11  ILE  11          1HD1      ILE  11 -11.438  -0.293   2.699
   97   HD12  ILE  11          2HD1      ILE  11 -11.327  -1.764   1.733
   98   HD13  ILE  11          3HD1      ILE  11 -12.870  -0.923   1.883
   99    H    CYS  12           HN       CYS  12  -8.340   3.129  -1.140
  100    HA   CYS  12           HA       CYS  12  -5.908   1.589  -1.609
  101    HB2  CYS  12          2HB       CYS  12  -6.458   4.468  -2.345
  102    HB3  CYS  12          1HB       CYS  12  -5.005   3.560  -2.712
  103    H    TYR  13           HN       TYR  13  -4.364   1.681  -0.231
  104    HA   TYR  13           HA       TYR  13  -4.310   3.831   1.723
  105    HB2  TYR  13          2HB       TYR  13  -3.620   2.099   3.467
  106    HB3  TYR  13          1HB       TYR  13  -5.309   2.098   3.002
  107    HD1  TYR  13          1HD       TYR  13  -2.091   0.272   2.605
  108    HD2  TYR  13          2HD       TYR  13  -6.318   0.143   2.082
  109    HE1  TYR  13          1HE       TYR  13  -1.974  -2.132   2.211
  110    HE2  TYR  13          2HE       TYR  13  -6.201  -2.265   1.672
  111    HH   TYR  13           HH       TYR  13  -4.469  -3.962   0.901
  112    H    ARG  14           HN       ARG  14  -2.104   3.708   2.943
  113    HA   ARG  14           HA       ARG  14  -0.094   3.436   0.819
  114    HB2  ARG  14          2HB       ARG  14   0.079   5.029   3.385
  115    HB3  ARG  14          1HB       ARG  14   1.219   5.054   2.053
  116    HG2  ARG  14          2HG       ARG  14  -1.627   6.047   1.965
  117    HG3  ARG  14          1HG       ARG  14  -0.182   7.048   2.080
  118    HD2  ARG  14          2HD       ARG  14  -0.861   5.209  -0.214
  119    HD3  ARG  14          1HD       ARG  14  -1.110   6.950  -0.190
  120    HE   ARG  14           HE       ARG  14   1.584   6.188   0.362
  121   HH11  ARG  14          1HH1      ARG  14  -0.716   6.939  -2.208
  122   HH12  ARG  14          2HH1      ARG  14   0.465   7.304  -3.371
  123   HH21  ARG  14          1HH2      ARG  14   3.231   6.710  -1.209
  124   HH22  ARG  14          2HH2      ARG  14   2.775   7.161  -2.785
  125    H    ARG  15           HN       ARG  15   1.438   1.941   1.060
  126    HA   ARG  15           HA       ARG  15   1.958   0.938   3.757
  127    HB2  ARG  15          2HB       ARG  15   1.548  -0.631   1.249
  128    HB3  ARG  15          1HB       ARG  15   2.488  -1.304   2.588
  129    HG2  ARG  15          2HG       ARG  15  -0.368  -0.424   2.597
  130    HG3  ARG  15          1HG       ARG  15   0.202  -2.093   2.555
  131    HD2  ARG  15          2HD       ARG  15   0.608  -0.114   4.813
  132    HD3  ARG  15          1HD       ARG  15  -0.492  -1.483   4.803
  133    HE   ARG  15           HE       ARG  15   1.993  -2.505   4.251
  134   HH11  ARG  15          1HH1      ARG  15   0.463  -0.793   6.959
  135   HH12  ARG  15          2HH1      ARG  15   1.418  -1.513   8.151
  136   HH21  ARG  15          1HH2      ARG  15   3.341  -3.489   5.902
  137   HH22  ARG  15          2HH2      ARG  15   3.109  -3.074   7.540
  138    H    CYS  16           HN       CYS  16   4.001   0.520   4.281
  139    HA   CYS  16           HA       CYS  16   6.021   1.353   2.338
  140    HB2  CYS  16          2HB       CYS  16   6.080   1.514   5.353
  141    HB3  CYS  16          1HB       CYS  16   7.389   1.995   4.278
  142    H    ARG  17           HN       ARG  17   6.980  -0.294   1.543
  143    HA   ARG  17           HA       ARG  17   7.609  -2.598   3.252
  144    HB2  ARG  17          2HB       ARG  17   6.267  -3.146   1.253
  145    HB3  ARG  17          1HB       ARG  17   7.460  -2.357   0.234
  146    HG2  ARG  17          2HG       ARG  17   9.110  -4.033   0.824
  147    HG3  ARG  17          1HG       ARG  17   7.954  -4.812   1.907
  148    HD2  ARG  17          2HD       ARG  17   6.495  -5.302   0.044
  149    HD3  ARG  17          1HD       ARG  17   7.563  -4.430  -1.053
  150    HE   ARG  17           HE       ARG  17   9.084  -6.370   0.179
  151   HH11  ARG  17          1HH1      ARG  17   6.269  -6.308  -1.984
  152   HH12  ARG  17          2HH1      ARG  17   6.698  -7.725  -2.814
  153   HH21  ARG  17          1HH2      ARG  17   9.633  -8.379  -0.944
  154   HH22  ARG  17          2HH2      ARG  17   8.618  -8.939  -2.186
  155    H    GLY  18           HN       GLY  18   9.644  -2.509   3.977
  156    HA2  GLY  18          2HA       GLY  18  11.885  -2.056   4.058
  157    HA3  GLY  18          1HA       GLY  18  11.847  -1.775   2.313
  Start of MODEL   18
    1    H1   LYS   1           HN       LYS   1  11.903   0.176   2.045
    2    HA   LYS   1           HA       LYS   1  11.217   2.476   3.735
    3    HB2  LYS   1          2HB       LYS   1  13.208   3.614   2.884
    4    HB3  LYS   1          1HB       LYS   1  13.631   2.110   3.698
    5    HG2  LYS   1          2HG       LYS   1  13.921   1.009   1.558
    6    HG3  LYS   1          1HG       LYS   1  13.463   2.494   0.720
    7    HD2  LYS   1          2HD       LYS   1  15.364   3.643   1.698
    8    HD3  LYS   1          1HD       LYS   1  15.813   2.180   2.574
    9    HE2  LYS   1          2HE       LYS   1  16.094   1.025   0.408
   10    HE3  LYS   1          1HE       LYS   1  15.735   2.542  -0.417
   11    HZ1  LYS   1          1HZ       LYS   1  18.110   2.151  -0.238
   12    HZ2  LYS   1          2HZ       LYS   1  17.992   2.117   1.453
   13    HZ3  LYS   1          3HZ       LYS   1  17.656   3.528   0.614
   14    H    TRP   2           HN       TRP   2  10.314   0.841   1.171
   15    HA   TRP   2           HA       TRP   2   9.887   3.140  -0.573
   16    HB2  TRP   2          2HB       TRP   2  11.009   1.268  -1.657
   17    HB3  TRP   2          1HB       TRP   2   9.781   0.154  -1.082
   18    HD1  TRP   2          1HD       TRP   2   9.461   3.469  -3.124
   19    HE1  TRP   2          1HE       TRP   2   8.046   2.950  -5.217
   20    HE3  TRP   2          3HE       TRP   2   8.737  -1.529  -2.403
   21    HZ2  TRP   2          2HZ       TRP   2   6.802   0.713  -6.410
   22    HZ3  TRP   2          3HZ       TRP   2   7.428  -2.796  -4.074
   23    HH2  TRP   2          2HH       TRP   2   6.484  -1.689  -6.031
   24    H    CYS   3           HN       CYS   3   8.018   4.081  -0.178
   25    HA   CYS   3           HA       CYS   3   5.776   2.444   0.769
   26    HB2  CYS   3          2HB       CYS   3   6.197   5.420   1.020
   27    HB3  CYS   3          1HB       CYS   3   4.906   4.478   1.759
   28    H    PHE   4           HN       PHE   4   4.085   2.254  -0.498
   29    HA   PHE   4           HA       PHE   4   3.723   4.141  -2.672
   30    HB2  PHE   4          2HB       PHE   4   3.411   2.273  -4.289
   31    HB3  PHE   4          1HB       PHE   4   5.055   2.392  -3.681
   32    HD1  PHE   4          1HD       PHE   4   2.219   0.257  -4.136
   33    HD2  PHE   4          2HD       PHE   4   5.739   0.801  -1.809
   34    HE1  PHE   4          1HE       PHE   4   2.154  -2.100  -3.469
   35    HE2  PHE   4          2HE       PHE   4   5.666  -1.544  -1.141
   36    HZ   PHE   4           HZ       PHE   4   3.878  -3.002  -1.963
   37    H    ARG   5           HN       ARG   5   1.669   3.913  -3.708
   38    HA   ARG   5           HA       ARG   5  -0.487   3.635  -1.841
   39    HB2  ARG   5          2HB       ARG   5  -0.360   5.390  -3.586
   40    HB3  ARG   5          1HB       ARG   5  -0.467   4.149  -4.815
   41    HG2  ARG   5          2HG       ARG   5  -2.721   3.560  -3.958
   42    HG3  ARG   5          1HG       ARG   5  -2.602   4.921  -2.834
   43    HD2  ARG   5          2HD       ARG   5  -2.233   6.421  -4.739
   44    HD3  ARG   5          1HD       ARG   5  -2.462   5.068  -5.842
   45    HE   ARG   5           HE       ARG   5  -4.602   5.803  -3.980
   46   HH11  ARG   5          1HH1      ARG   5  -3.475   5.532  -7.345
   47   HH12  ARG   5          2HH1      ARG   5  -4.989   5.871  -8.012
   48   HH21  ARG   5          1HH2      ARG   5  -6.686   6.304  -4.943
   49   HH22  ARG   5          2HH2      ARG   5  -6.830   6.341  -6.636
   50    H    VAL   6           HN       VAL   6  -1.759   1.880  -1.613
   51    HA   VAL   6           HA       VAL   6  -1.639  -0.226  -3.659
   52    HB   VAL   6           HB       VAL   6  -1.960  -0.697  -0.687
   53   HG11  VAL   6          1HG1      VAL   6  -3.003  -2.393  -2.072
   54   HG12  VAL   6          2HG1      VAL   6  -1.586  -3.054  -1.255
   55   HG13  VAL   6          3HG1      VAL   6  -1.497  -2.621  -2.962
   56   HG21  VAL   6          1HG2      VAL   6   0.499  -1.101  -2.379
   57   HG22  VAL   6          2HG2      VAL   6   0.310  -1.628  -0.708
   58   HG23  VAL   6          3HG2      VAL   6   0.298   0.093  -1.098
   59    H    CYS   7           HN       CYS   7  -3.593  -0.505  -4.485
   60    HA   CYS   7           HA       CYS   7  -5.901   0.259  -2.852
   61    HB2  CYS   7          2HB       CYS   7  -5.633   0.049  -5.851
   62    HB3  CYS   7          1HB       CYS   7  -7.098   0.511  -4.984
   63    H    TYR   8           HN       TYR   8  -7.047  -1.286  -2.063
   64    HA   TYR   8           HA       TYR   8  -7.017  -3.862  -3.428
   65    HB2  TYR   8          2HB       TYR   8  -5.550  -3.816  -1.420
   66    HB3  TYR   8          1HB       TYR   8  -6.950  -3.382  -0.453
   67    HD1  TYR   8          1HD       TYR   8  -8.038  -5.082   0.679
   68    HD2  TYR   8          2HD       TYR   8  -5.877  -6.045  -2.848
   69    HE1  TYR   8          1HE       TYR   8  -8.529  -7.453   1.036
   70    HE2  TYR   8          2HE       TYR   8  -6.361  -8.417  -2.507
   71    HH   TYR   8           HH       TYR   8  -8.687  -9.527  -0.378
   72    H    ARG   9           HN       ARG   9  -8.914  -3.897  -4.272
   73    HA   ARG   9           HA       ARG   9 -11.115  -4.104  -4.561
   74    HB2  ARG   9          2HB       ARG   9 -11.200  -4.393  -1.550
   75    HB3  ARG   9          1HB       ARG   9 -12.543  -4.744  -2.622
   76    HG2  ARG   9          2HG       ARG   9 -11.190  -6.496  -3.709
   77    HG3  ARG   9          1HG       ARG   9  -9.883  -6.159  -2.574
   78    HD2  ARG   9          2HD       ARG   9 -12.655  -7.115  -1.866
   79    HD3  ARG   9          1HD       ARG   9 -11.199  -8.104  -1.888
   80    HE   ARG   9           HE       ARG   9 -10.777  -5.923  -0.175
   81   HH11  ARG   9          1HH1      ARG   9 -12.755  -8.851  -0.304
   82   HH12  ARG   9          2HH1      ARG   9 -12.833  -9.040   1.385
   83   HH21  ARG   9          1HH2      ARG   9 -10.861  -6.200   2.158
   84   HH22  ARG   9          2HH2      ARG   9 -11.747  -7.495   2.806
   85    H    GLY  10           HN       GLY  10  -9.946  -1.485  -4.181
   86    HA2  GLY  10          2HA       GLY  10 -11.232   0.482  -4.753
   87    HA3  GLY  10          1HA       GLY  10 -12.445  -0.038  -3.590
   88    H    ILE  11           HN       ILE  11 -10.331  -0.777  -1.662
   89    HA   ILE  11           HA       ILE  11 -10.119   1.857  -0.485
   90    HB   ILE  11           HB       ILE  11  -9.301  -0.835   0.661
   91   HG12  ILE  11          2HG1      ILE  11 -11.826   0.778   1.136
   92   HG13  ILE  11          1HG1      ILE  11 -11.731  -0.694   0.181
   93   HG21  ILE  11          1HG2      ILE  11  -8.152   1.052   1.719
   94   HG22  ILE  11          2HG2      ILE  11  -9.323   0.332   2.825
   95   HG23  ILE  11          3HG2      ILE  11  -9.701   1.846   2.005
   96   HD11  ILE  11          1HD1      ILE  11 -12.642  -1.125   2.397
   97   HD12  ILE  11          2HD1      ILE  11 -11.181  -0.466   3.134
   98   HD13  ILE  11          3HD1      ILE  11 -11.095  -1.945   2.187
   99    H    CYS  12           HN       CYS  12  -8.397   3.050  -0.997
  100    HA   CYS  12           HA       CYS  12  -5.884   1.686  -1.588
  101    HB2  CYS  12          2HB       CYS  12  -6.587   4.580  -2.020
  102    HB3  CYS  12          1HB       CYS  12  -5.129   3.772  -2.540
  103    H    TYR  13           HN       TYR  13  -4.390   1.639  -0.216
  104    HA   TYR  13           HA       TYR  13  -4.224   3.674   1.870
  105    HB2  TYR  13          2HB       TYR  13  -3.375   1.769   3.369
  106    HB3  TYR  13          1HB       TYR  13  -5.103   1.809   3.054
  107    HD1  TYR  13          1HD       TYR  13  -6.184   0.023   1.916
  108    HD2  TYR  13          2HD       TYR  13  -1.946   0.071   2.199
  109    HE1  TYR  13          1HE       TYR  13  -6.119  -2.275   1.118
  110    HE2  TYR  13          2HE       TYR  13  -1.875  -2.245   1.396
  111    HH   TYR  13           HH       TYR  13  -4.455  -3.771  -0.047
  112    H    ARG  14           HN       ARG  14  -1.990   3.715   2.799
  113    HA   ARG  14           HA       ARG  14  -0.103   3.354   0.602
  114    HB2  ARG  14          2HB       ARG  14  -0.416   5.632   1.534
  115    HB3  ARG  14          1HB       ARG  14   0.097   5.038   3.101
  116    HG2  ARG  14          2HG       ARG  14   2.312   4.585   2.245
  117    HG3  ARG  14          1HG       ARG  14   1.807   5.065   0.620
  118    HD2  ARG  14          2HD       ARG  14   1.829   6.832   3.064
  119    HD3  ARG  14          1HD       ARG  14   3.007   6.870   1.750
  120    HE   ARG  14           HE       ARG  14   0.832   7.291   0.362
  121   HH11  ARG  14          1HH1      ARG  14   1.645   8.733   3.497
  122   HH12  ARG  14          2HH1      ARG  14   0.740  10.140   3.243
  123   HH21  ARG  14          1HH2      ARG  14  -0.381   9.227  -0.010
  124   HH22  ARG  14          2HH2      ARG  14  -0.455  10.444   1.171
  125    H    ARG  15           HN       ARG  15   1.457   1.890   0.788
  126    HA   ARG  15           HA       ARG  15   1.869   0.667   3.428
  127    HB2  ARG  15          2HB       ARG  15   1.741  -0.566   0.733
  128    HB3  ARG  15          1HB       ARG  15   2.609  -1.395   2.039
  129    HG2  ARG  15          2HG       ARG  15  -0.282  -0.655   1.821
  130    HG3  ARG  15          1HG       ARG  15   0.404  -2.272   1.737
  131    HD2  ARG  15          2HD       ARG  15   0.409  -0.471   4.162
  132    HD3  ARG  15          1HD       ARG  15  -0.587  -1.900   3.920
  133    HE   ARG  15           HE       ARG  15   1.856  -2.896   3.607
  134   HH11  ARG  15          1HH1      ARG  15   0.593  -0.788   6.172
  135   HH12  ARG  15          2HH1      ARG  15   1.568  -1.500   7.374
  136   HH21  ARG  15          1HH2      ARG  15   3.181  -3.792   5.232
  137   HH22  ARG  15          2HH2      ARG  15   3.092  -3.233   6.831
  138    H    CYS  16           HN       CYS  16   3.787   0.623   4.173
  139    HA   CYS  16           HA       CYS  16   5.964   1.449   2.443
  140    HB2  CYS  16          2HB       CYS  16   5.704   1.433   5.439
  141    HB3  CYS  16          1HB       CYS  16   7.222   1.750   4.603
  142    H    ARG  17           HN       ARG  17   6.960  -0.029   1.534
  143    HA   ARG  17           HA       ARG  17   7.338  -2.633   2.793
  144    HB2  ARG  17          2HB       ARG  17   6.230  -2.577   0.617
  145    HB3  ARG  17          1HB       ARG  17   7.552  -1.642  -0.052
  146    HG2  ARG  17          2HG       ARG  17   9.022  -3.535   0.130
  147    HG3  ARG  17          1HG       ARG  17   7.761  -4.488   0.923
  148    HD2  ARG  17          2HD       ARG  17   6.337  -4.225  -1.047
  149    HD3  ARG  17          1HD       ARG  17   7.599  -3.295  -1.836
  150    HE   ARG  17           HE       ARG  17   8.824  -5.599  -1.229
  151   HH11  ARG  17          1HH1      ARG  17   5.764  -4.932  -2.850
  152   HH12  ARG  17          2HH1      ARG  17   5.903  -6.199  -3.980
  153   HH21  ARG  17          1HH2      ARG  17   9.016  -7.342  -2.761
  154   HH22  ARG  17          2HH2      ARG  17   7.807  -7.619  -3.916
  155    H    GLY  18           HN       GLY  18   9.084  -2.280   4.052
  156    HA2  GLY  18          2HA       GLY  18  11.299  -2.001   4.582
  157    HA3  GLY  18          1HA       GLY  18  11.642  -1.807   2.861
  Start of MODEL   19
    1    H1   LYS   1           HN       LYS   1  12.005   0.356   2.403
    2    HA   LYS   1           HA       LYS   1  11.167   2.595   4.096
    3    HB2  LYS   1          2HB       LYS   1  13.007   3.894   3.042
    4    HB3  LYS   1          1HB       LYS   1  13.564   2.513   3.983
    5    HG2  LYS   1          2HG       LYS   1  13.963   1.245   1.975
    6    HG3  LYS   1          1HG       LYS   1  13.295   2.543   0.984
    7    HD2  LYS   1          2HD       LYS   1  15.737   2.814   2.744
    8    HD3  LYS   1          1HD       LYS   1  15.797   2.447   1.023
    9    HE2  LYS   1          2HE       LYS   1  14.641   4.572   0.550
   10    HE3  LYS   1          1HE       LYS   1  14.621   4.933   2.271
   11    HZ1  LYS   1          1HZ       LYS   1  17.072   4.591   0.620
   12    HZ2  LYS   1          2HZ       LYS   1  17.034   4.987   2.262
   13    HZ3  LYS   1          3HZ       LYS   1  16.429   6.057   1.139
   14    H    TRP   2           HN       TRP   2  10.781   1.013   1.152
   15    HA   TRP   2           HA       TRP   2   9.988   3.321  -0.371
   16    HB2  TRP   2          2HB       TRP   2  11.124   1.616  -1.600
   17    HB3  TRP   2          1HB       TRP   2  10.052   0.365  -0.985
   18    HD1  TRP   2          1HD       TRP   2   9.364   3.680  -2.933
   19    HE1  TRP   2          1HE       TRP   2   7.793   3.104  -4.905
   20    HE3  TRP   2          3HE       TRP   2   8.964  -1.356  -2.213
   21    HZ2  TRP   2          2HZ       TRP   2   6.584   0.827  -6.011
   22    HZ3  TRP   2          3HZ       TRP   2   7.593  -2.662  -3.777
   23    HH2  TRP   2          2HH       TRP   2   6.426  -1.588  -5.638
   24    H    CYS   3           HN       CYS   3   8.104   4.157  -0.287
   25    HA   CYS   3           HA       CYS   3   5.839   2.575   0.690
   26    HB2  CYS   3          2HB       CYS   3   6.216   5.567   0.683
   27    HB3  CYS   3          1HB       CYS   3   4.839   4.694   1.346
   28    H    PHE   4           HN       PHE   4   4.192   2.257  -0.560
   29    HA   PHE   4           HA       PHE   4   3.806   3.824  -2.974
   30    HB2  PHE   4          2HB       PHE   4   3.414   1.681  -4.235
   31    HB3  PHE   4          1HB       PHE   4   5.083   1.905  -3.735
   32    HD1  PHE   4          1HD       PHE   4   5.889   0.630  -1.669
   33    HD2  PHE   4          2HD       PHE   4   2.238  -0.256  -3.652
   34    HE1  PHE   4          1HE       PHE   4   5.875  -1.587  -0.628
   35    HE2  PHE   4          2HE       PHE   4   2.215  -2.486  -2.603
   36    HZ   PHE   4           HZ       PHE   4   4.035  -3.150  -1.086
   37    H    ARG   5           HN       ARG   5   1.608   3.681  -3.727
   38    HA   ARG   5           HA       ARG   5  -0.212   3.137  -1.510
   39    HB2  ARG   5          2HB       ARG   5  -0.123   5.433  -2.612
   40    HB3  ARG   5          1HB       ARG   5  -0.821   4.680  -4.038
   41    HG2  ARG   5          2HG       ARG   5  -2.805   4.071  -2.777
   42    HG3  ARG   5          1HG       ARG   5  -2.099   4.746  -1.309
   43    HD2  ARG   5          2HD       ARG   5  -1.984   6.951  -2.460
   44    HD3  ARG   5          1HD       ARG   5  -2.855   6.252  -3.815
   45    HE   ARG   5           HE       ARG   5  -3.923   6.386  -1.084
   46   HH11  ARG   5          1HH1      ARG   5  -4.448   6.688  -4.597
   47   HH12  ARG   5          2HH1      ARG   5  -6.042   7.270  -4.461
   48   HH21  ARG   5          1HH2      ARG   5  -6.159   7.216  -0.908
   49   HH22  ARG   5          2HH2      ARG   5  -7.021   7.571  -2.321
   50    H    VAL   6           HN       VAL   6  -1.885   1.725  -1.697
   51    HA   VAL   6           HA       VAL   6  -1.943   0.086  -4.142
   52    HB   VAL   6           HB       VAL   6  -2.289  -0.923  -1.306
   53   HG11  VAL   6          1HG1      VAL   6  -3.487  -2.248  -2.932
   54   HG12  VAL   6          2HG1      VAL   6  -2.119  -3.161  -2.294
   55   HG13  VAL   6          3HG1      VAL   6  -2.024  -2.433  -3.899
   56   HG21  VAL   6          1HG2      VAL   6   0.118  -1.216  -3.087
   57   HG22  VAL   6          2HG2      VAL   6  -0.112  -2.026  -1.539
   58   HG23  VAL   6          3HG2      VAL   6   0.026  -0.266  -1.607
   59    H    CYS   7           HN       CYS   7  -3.981  -0.219  -4.876
   60    HA   CYS   7           HA       CYS   7  -6.148   0.430  -3.050
   61    HB2  CYS   7          2HB       CYS   7  -6.086   0.445  -6.078
   62    HB3  CYS   7          1HB       CYS   7  -7.523   0.730  -5.102
   63    H    TYR   8           HN       TYR   8  -7.163  -1.181  -2.279
   64    HA   TYR   8           HA       TYR   8  -7.131  -3.756  -3.658
   65    HB2  TYR   8          2HB       TYR   8  -5.439  -3.568  -1.825
   66    HB3  TYR   8          1HB       TYR   8  -6.736  -3.162  -0.724
   67    HD1  TYR   8          1HD       TYR   8  -5.270  -5.835  -2.771
   68    HD2  TYR   8          2HD       TYR   8  -8.070  -4.878   0.269
   69    HE1  TYR   8          1HE       TYR   8  -5.473  -8.211  -2.233
   70    HE2  TYR   8          2HE       TYR   8  -8.295  -7.253   0.827
   71    HH   TYR   8           HH       TYR   8  -7.936  -9.427  -0.222
   72    H    ARG   9           HN       ARG   9  -9.204  -3.955  -4.188
   73    HA   ARG   9           HA       ARG   9 -11.418  -4.283  -4.049
   74    HB2  ARG   9          2HB       ARG   9 -11.078  -3.989  -1.054
   75    HB3  ARG   9          1HB       ARG   9 -12.523  -4.594  -1.853
   76    HG2  ARG   9          2HG       ARG   9 -11.325  -6.518  -2.671
   77    HG3  ARG   9          1HG       ARG   9  -9.812  -5.888  -2.017
   78    HD2  ARG   9          2HD       ARG   9 -10.668  -7.571  -0.528
   79    HD3  ARG   9          1HD       ARG   9 -10.796  -5.995   0.243
   80    HE   ARG   9           HE       ARG   9 -13.096  -7.120  -1.148
   81   HH11  ARG   9          1HH1      ARG   9 -11.611  -6.050   1.918
   82   HH12  ARG   9          2HH1      ARG   9 -13.070  -6.200   2.791
   83   HH21  ARG   9          1HH2      ARG   9 -15.037  -7.331   0.102
   84   HH22  ARG   9          2HH2      ARG   9 -15.030  -6.949   1.773
   85    H    GLY  10           HN       GLY  10 -10.095  -1.601  -4.033
   86    HA2  GLY  10          2HA       GLY  10 -11.109   0.436  -4.633
   87    HA3  GLY  10          1HA       GLY  10 -12.533  -0.017  -3.706
   88    H    ILE  11           HN       ILE  11 -10.089  -0.871  -1.817
   89    HA   ILE  11           HA       ILE  11 -10.193   1.597  -0.271
   90    HB   ILE  11           HB       ILE  11  -9.143  -1.158   0.459
   91   HG12  ILE  11          2HG1      ILE  11 -11.776   0.132   1.216
   92   HG13  ILE  11          1HG1      ILE  11 -11.589  -1.138   0.015
   93   HG21  ILE  11          1HG2      ILE  11  -8.138   0.669   1.749
   94   HG22  ILE  11          2HG2      ILE  11  -9.170  -0.344   2.757
   95   HG23  ILE  11          3HG2      ILE  11  -9.746   1.229   2.207
   96   HD11  ILE  11          1HD1      ILE  11 -10.799  -2.658   1.751
   97   HD12  ILE  11          2HD1      ILE  11 -12.400  -2.017   2.134
   98   HD13  ILE  11          3HD1      ILE  11 -10.970  -1.378   2.949
   99    H    CYS  12           HN       CYS  12  -8.504   2.932  -0.675
  100    HA   CYS  12           HA       CYS  12  -6.000   1.677  -1.490
  101    HB2  CYS  12          2HB       CYS  12  -6.661   4.604  -1.760
  102    HB3  CYS  12          1HB       CYS  12  -5.351   3.716  -2.486
  103    H    TYR  13           HN       TYR  13  -4.281   1.831  -0.364
  104    HA   TYR  13           HA       TYR  13  -4.060   3.693   1.847
  105    HB2  TYR  13          2HB       TYR  13  -3.219   1.726   3.278
  106    HB3  TYR  13          1HB       TYR  13  -4.954   1.874   3.055
  107    HD1  TYR  13          1HD       TYR  13  -6.182   0.067   2.242
  108    HD2  TYR  13          2HD       TYR  13  -1.960   0.028   1.742
  109    HE1  TYR  13          1HE       TYR  13  -6.306  -2.244   1.449
  110    HE2  TYR  13          2HE       TYR  13  -2.075  -2.294   0.957
  111    HH   TYR  13           HH       TYR  13  -3.497  -4.209   1.032
  112    H    ARG  14           HN       ARG  14  -1.827   3.823   2.624
  113    HA   ARG  14           HA       ARG  14   0.025   3.198   0.444
  114    HB2  ARG  14          2HB       ARG  14  -0.194   5.573   1.335
  115    HB3  ARG  14          1HB       ARG  14   0.556   4.984   2.814
  116    HG2  ARG  14          2HG       ARG  14   2.507   4.240   1.485
  117    HG3  ARG  14          1HG       ARG  14   1.768   4.958   0.055
  118    HD2  ARG  14          2HD       ARG  14   3.366   6.510   0.931
  119    HD3  ARG  14          1HD       ARG  14   1.752   7.139   1.260
  120    HE   ARG  14           HE       ARG  14   2.398   5.691   3.457
  121   HH11  ARG  14          1HH1      ARG  14   3.849   8.494   1.779
  122   HH12  ARG  14          2HH1      ARG  14   4.570   9.145   3.163
  123   HH21  ARG  14          1HH2      ARG  14   3.414   6.614   5.404
  124   HH22  ARG  14          2HH2      ARG  14   4.310   8.049   5.275
  125    H    ARG  15           HN       ARG  15   1.500   1.705   0.665
  126    HA   ARG  15           HA       ARG  15   1.964   0.594   3.343
  127    HB2  ARG  15          2HB       ARG  15   1.835  -0.722   0.660
  128    HB3  ARG  15          1HB       ARG  15   2.580  -1.534   2.050
  129    HG2  ARG  15          2HG       ARG  15  -0.251  -0.637   1.666
  130    HG3  ARG  15          1HG       ARG  15   0.323  -2.289   1.532
  131    HD2  ARG  15          2HD       ARG  15  -0.740  -2.110   3.651
  132    HD3  ARG  15          1HD       ARG  15   0.990  -2.151   3.966
  133    HE   ARG  15           HE       ARG  15   0.255   0.528   3.842
  134   HH11  ARG  15          1HH1      ARG  15  -0.635  -2.233   5.888
  135   HH12  ARG  15          2HH1      ARG  15  -0.891  -1.270   7.266
  136   HH21  ARG  15          1HH2      ARG  15  -0.086   1.800   5.716
  137   HH22  ARG  15          2HH2      ARG  15  -0.565   1.050   7.174
  138    H    CYS  16           HN       CYS  16   4.028   0.271   3.939
  139    HA   CYS  16           HA       CYS  16   6.050   1.225   2.061
  140    HB2  CYS  16          2HB       CYS  16   6.004   1.471   5.073
  141    HB3  CYS  16          1HB       CYS  16   7.320   1.995   4.028
  142    H    ARG  17           HN       ARG  17   7.141  -0.391   1.331
  143    HA   ARG  17           HA       ARG  17   7.580  -2.715   3.048
  144    HB2  ARG  17          2HB       ARG  17   6.676  -3.090   0.734
  145    HB3  ARG  17          1HB       ARG  17   8.162  -2.411   0.085
  146    HG2  ARG  17          2HG       ARG  17   9.446  -4.222   1.055
  147    HG3  ARG  17          1HG       ARG  17   7.990  -4.869   1.812
  148    HD2  ARG  17          2HD       ARG  17   7.011  -5.134  -0.461
  149    HD3  ARG  17          1HD       ARG  17   8.573  -4.669  -1.133
  150    HE   ARG  17           HE       ARG  17   9.411  -6.642   0.274
  151   HH11  ARG  17          1HH1      ARG  17   6.315  -6.564  -1.414
  152   HH12  ARG  17          2HH1      ARG  17   6.185  -8.246  -1.565
  153   HH21  ARG  17          1HH2      ARG  17   9.260  -8.936   0.064
  154   HH22  ARG  17          2HH2      ARG  17   7.934  -9.653  -0.741
  155    H    GLY  18           HN       GLY  18   9.171  -2.094   4.361
  156    HA2  GLY  18          2HA       GLY  18  11.402  -1.829   4.913
  157    HA3  GLY  18          1HA       GLY  18  11.781  -1.625   3.197
  Start of MODEL   20
    1    H1   LYS   1           HN       LYS   1  12.546   0.861   2.144
    2    HA   LYS   1           HA       LYS   1  10.978   2.948   3.434
    3    HB2  LYS   1          2HB       LYS   1  12.578   4.611   2.591
    4    HB3  LYS   1          1HB       LYS   1  13.351   3.403   3.596
    5    HG2  LYS   1          2HG       LYS   1  14.303   2.344   1.649
    6    HG3  LYS   1          1HG       LYS   1  13.451   3.477   0.589
    7    HD2  LYS   1          2HD       LYS   1  14.646   5.342   1.652
    8    HD3  LYS   1          1HD       LYS   1  15.504   4.198   2.678
    9    HE2  LYS   1          2HE       LYS   1  15.630   4.270  -0.329
   10    HE3  LYS   1          1HE       LYS   1  16.830   4.983   0.737
   11    HZ1  LYS   1          1HZ       LYS   1  17.265   2.758   1.631
   12    HZ2  LYS   1          2HZ       LYS   1  17.544   2.836  -0.022
   13    HZ3  LYS   1          3HZ       LYS   1  16.155   2.087   0.551
   14    H    TRP   2           HN       TRP   2  10.496   0.979   1.172
   15    HA   TRP   2           HA       TRP   2   9.720   2.838  -0.920
   16    HB2  TRP   2          2HB       TRP   2  10.734   0.715  -1.641
   17    HB3  TRP   2          1HB       TRP   2   9.534  -0.185  -0.734
   18    HD1  TRP   2          1HD       TRP   2   9.132   2.623  -3.385
   19    HE1  TRP   2          1HE       TRP   2   7.468   1.788  -5.174
   20    HE3  TRP   2          3HE       TRP   2   8.309  -2.068  -1.585
   21    HZ2  TRP   2          2HZ       TRP   2   6.032  -0.563  -5.751
   22    HZ3  TRP   2          3HZ       TRP   2   6.779  -3.558  -2.816
   23    HH2  TRP   2          2HH       TRP   2   5.669  -2.812  -4.854
   24    H    CYS   3           HN       CYS   3   7.925   3.882  -0.555
   25    HA   CYS   3           HA       CYS   3   5.731   2.511   0.829
   26    HB2  CYS   3          2HB       CYS   3   6.335   5.466   0.637
   27    HB3  CYS   3          1HB       CYS   3   4.920   4.774   1.422
   28    H    PHE   4           HN       PHE   4   4.077   2.047  -0.360
   29    HA   PHE   4           HA       PHE   4   3.738   3.465  -2.888
   30    HB2  PHE   4          2HB       PHE   4   3.326   1.302  -4.015
   31    HB3  PHE   4          1HB       PHE   4   4.966   1.465  -3.413
   32    HD1  PHE   4          1HD       PHE   4   5.405   0.347  -1.059
   33    HD2  PHE   4          2HD       PHE   4   2.155  -0.641  -3.622
   34    HE1  PHE   4          1HE       PHE   4   5.211  -1.825   0.043
   35    HE2  PHE   4          2HE       PHE   4   1.951  -2.823  -2.515
   36    HZ   PHE   4           HZ       PHE   4   3.466  -3.428  -0.688
   37    H    ARG   5           HN       ARG   5   1.691   3.118  -3.894
   38    HA   ARG   5           HA       ARG   5  -0.482   3.299  -1.983
   39    HB2  ARG   5          2HB       ARG   5  -0.392   4.964  -3.735
   40    HB3  ARG   5          1HB       ARG   5  -0.270   3.723  -4.969
   41    HG2  ARG   5          2HG       ARG   5  -2.559   2.998  -4.436
   42    HG3  ARG   5          1HG       ARG   5  -2.674   4.291  -3.243
   43    HD2  ARG   5          2HD       ARG   5  -2.373   5.956  -4.971
   44    HD3  ARG   5          1HD       ARG   5  -2.127   4.689  -6.175
   45    HE   ARG   5           HE       ARG   5  -4.585   4.254  -4.957
   46   HH11  ARG   5          1HH1      ARG   5  -3.142   6.633  -7.152
   47   HH12  ARG   5          2HH1      ARG   5  -4.631   7.064  -7.863
   48   HH21  ARG   5          1HH2      ARG   5  -6.617   4.836  -5.989
   49   HH22  ARG   5          2HH2      ARG   5  -6.628   6.008  -7.199
   50    H    VAL   6           HN       VAL   6  -1.845   1.632  -1.593
   51    HA   VAL   6           HA       VAL   6  -1.846  -0.596  -3.509
   52    HB   VAL   6           HB       VAL   6  -2.391  -0.882  -0.558
   53   HG11  VAL   6          1HG1      VAL   6  -1.980  -3.257  -0.966
   54   HG12  VAL   6          2HG1      VAL   6  -1.710  -2.908  -2.672
   55   HG13  VAL   6          3HG1      VAL   6  -3.295  -2.619  -1.954
   56   HG21  VAL   6          1HG2      VAL   6   0.255  -1.367  -1.925
   57   HG22  VAL   6          2HG2      VAL   6  -0.136  -1.815  -0.265
   58   HG23  VAL   6          3HG2      VAL   6  -0.090  -0.117  -0.731
   59    H    CYS   7           HN       CYS   7  -3.798  -0.625  -4.439
   60    HA   CYS   7           HA       CYS   7  -6.051   0.189  -2.779
   61    HB2  CYS   7          2HB       CYS   7  -5.845   0.165  -5.796
   62    HB3  CYS   7          1HB       CYS   7  -7.262   0.650  -4.867
   63    H    TYR   8           HN       TYR   8  -7.310  -1.267  -2.140
   64    HA   TYR   8           HA       TYR   8  -7.310  -3.889  -3.464
   65    HB2  TYR   8          2HB       TYR   8  -6.084  -3.569  -1.210
   66    HB3  TYR   8          1HB       TYR   8  -7.683  -3.358  -0.521
   67    HD1  TYR   8          1HD       TYR   8  -5.271  -5.691  -1.893
   68    HD2  TYR   8          2HD       TYR   8  -9.223  -5.288  -0.384
   69    HE1  TYR   8          1HE       TYR   8  -5.380  -8.103  -1.593
   70    HE2  TYR   8          2HE       TYR   8  -9.354  -7.716  -0.081
   71    HH   TYR   8           HH       TYR   8  -8.258  -9.754  -0.994
   72    H    ARG   9           HN       ARG   9  -9.210  -3.710  -4.526
   73    HA   ARG   9           HA       ARG   9 -11.398  -3.679  -4.966
   74    HB2  ARG   9          2HB       ARG   9 -11.731  -3.909  -1.968
   75    HB3  ARG   9          1HB       ARG   9 -13.052  -4.043  -3.117
   76    HG2  ARG   9          2HG       ARG   9 -11.960  -6.006  -4.113
   77    HG3  ARG   9          1HG       ARG   9 -10.669  -5.869  -2.915
   78    HD2  ARG   9          2HD       ARG   9 -12.277  -7.537  -2.202
   79    HD3  ARG   9          1HD       ARG   9 -12.323  -6.137  -1.129
   80    HE   ARG   9           HE       ARG   9 -14.230  -6.119  -3.286
   81   HH11  ARG   9          1HH1      ARG   9 -13.686  -6.950   0.129
   82   HH12  ARG   9          2HH1      ARG   9 -15.352  -7.016   0.499
   83   HH21  ARG   9          1HH2      ARG   9 -16.506  -6.192  -2.720
   84   HH22  ARG   9          2HH2      ARG   9 -16.984  -6.573  -1.137
   85    H    GLY  10           HN       GLY  10  -9.913  -1.204  -4.362
   86    HA2  GLY  10          2HA       GLY  10 -10.849   0.936  -4.968
   87    HA3  GLY  10          1HA       GLY  10 -12.259   0.531  -3.998
   88    H    ILE  11           HN       ILE  11 -10.327  -0.621  -1.971
   89    HA   ILE  11           HA       ILE  11 -10.117   1.788  -0.388
   90    HB   ILE  11           HB       ILE  11  -9.178  -1.014   0.277
   91   HG12  ILE  11          2HG1      ILE  11 -11.852   0.268   0.885
   92   HG13  ILE  11          1HG1      ILE  11 -11.575  -0.994  -0.305
   93   HG21  ILE  11          1HG2      ILE  11  -8.245   0.741   1.703
   94   HG22  ILE  11          2HG2      ILE  11  -9.374  -0.269   2.607
   95   HG23  ILE  11          3HG2      ILE  11  -9.870   1.330   2.054
   96   HD11  ILE  11          1HD1      ILE  11 -11.150  -1.249   2.655
   97   HD12  ILE  11          2HD1      ILE  11 -10.920  -2.527   1.460
   98   HD13  ILE  11          3HD1      ILE  11 -12.532  -1.868   1.755
   99    H    CYS  12           HN       CYS  12  -8.356   3.056  -0.706
  100    HA   CYS  12           HA       CYS  12  -5.879   1.696  -1.443
  101    HB2  CYS  12          2HB       CYS  12  -6.500   4.626  -1.735
  102    HB3  CYS  12          1HB       CYS  12  -5.084   3.784  -2.312
  103    H    TYR  13           HN       TYR  13  -4.462   1.485  -0.048
  104    HA   TYR  13           HA       TYR  13  -4.172   3.434   2.099
  105    HB2  TYR  13          2HB       TYR  13  -3.427   1.461   3.566
  106    HB3  TYR  13          1HB       TYR  13  -5.148   1.589   3.247
  107    HD1  TYR  13          1HD       TYR  13  -6.288  -0.092   1.955
  108    HD2  TYR  13          2HD       TYR  13  -2.083  -0.327   2.524
  109    HE1  TYR  13          1HE       TYR  13  -6.323  -2.390   1.139
  110    HE2  TYR  13          2HE       TYR  13  -2.094  -2.617   1.722
  111    HH   TYR  13           HH       TYR  13  -4.702  -3.976   0.081
  112    H    ARG  14           HN       ARG  14  -2.001   3.660   2.857
  113    HA   ARG  14           HA       ARG  14  -0.132   3.116   0.672
  114    HB2  ARG  14          2HB       ARG  14  -0.557   5.488   1.415
  115    HB3  ARG  14          1HB       ARG  14   0.156   5.064   2.959
  116    HG2  ARG  14          2HG       ARG  14   2.273   4.535   1.847
  117    HG3  ARG  14          1HG       ARG  14   1.562   4.976   0.295
  118    HD2  ARG  14          2HD       ARG  14   1.986   6.785   2.670
  119    HD3  ARG  14          1HD       ARG  14   2.876   6.825   1.150
  120    HE   ARG  14           HE       ARG  14   0.058   7.141   0.814
  121   HH11  ARG  14          1HH1      ARG  14   3.069   8.941   1.386
  122   HH12  ARG  14          2HH1      ARG  14   2.372  10.453   0.994
  123   HH21  ARG  14          1HH2      ARG  14  -0.857   9.221   0.342
  124   HH22  ARG  14          2HH2      ARG  14   0.131  10.603   0.399
  125    H    ARG  15           HN       ARG  15   1.427   1.688   1.010
  126    HA   ARG  15           HA       ARG  15   1.979   0.922   3.791
  127    HB2  ARG  15          2HB       ARG  15   1.741  -0.816   1.356
  128    HB3  ARG  15          1HB       ARG  15   2.505  -1.396   2.855
  129    HG2  ARG  15          2HG       ARG  15  -0.286  -0.560   2.270
  130    HG3  ARG  15          1HG       ARG  15   0.269  -2.178   2.697
  131    HD2  ARG  15          2HD       ARG  15   0.185   0.257   4.494
  132    HD3  ARG  15          1HD       ARG  15  -0.809  -1.187   4.622
  133    HE   ARG  15           HE       ARG  15   1.770  -2.080   4.765
  134   HH11  ARG  15          1HH1      ARG  15  -0.182   0.179   6.625
  135   HH12  ARG  15          2HH1      ARG  15   0.597  -0.132   8.110
  136   HH21  ARG  15          1HH2      ARG  15   2.864  -2.502   6.742
  137   HH22  ARG  15          2HH2      ARG  15   2.395  -1.705   8.178
  138    H    CYS  16           HN       CYS  16   4.124   0.198   4.255
  139    HA   CYS  16           HA       CYS  16   6.058   1.175   2.307
  140    HB2  CYS  16          2HB       CYS  16   6.145   1.630   5.297
  141    HB3  CYS  16          1HB       CYS  16   7.427   2.035   4.170
  142    H    ARG  17           HN       ARG  17   7.221  -0.347   1.669
  143    HA   ARG  17           HA       ARG  17   7.917  -2.596   3.424
  144    HB2  ARG  17          2HB       ARG  17   6.694  -3.106   1.300
  145    HB3  ARG  17          1HB       ARG  17   7.984  -2.323   0.410
  146    HG2  ARG  17          2HG       ARG  17   9.539  -4.023   1.131
  147    HG3  ARG  17          1HG       ARG  17   8.271  -4.808   2.084
  148    HD2  ARG  17          2HD       ARG  17   6.970  -5.107   0.002
  149    HD3  ARG  17          1HD       ARG  17   8.312  -4.410  -0.904
  150    HE   ARG  17           HE       ARG  17   9.412  -6.447   0.526
  151   HH11  ARG  17          1HH1      ARG  17   6.755  -6.273  -1.838
  152   HH12  ARG  17          2HH1      ARG  17   7.022  -7.840  -2.425
  153   HH21  ARG  17          1HH2      ARG  17   9.754  -8.538  -0.278
  154   HH22  ARG  17          2HH2      ARG  17   8.804  -9.188  -1.527
  155    H    GLY  18           HN       GLY  18   9.765  -1.862   4.414
  156    HA2  GLY  18          2HA       GLY  18  11.977  -1.201   4.585
  157    HA3  GLY  18          1HA       GLY  18  12.077  -1.178   2.816