*HEADER    NEUROTOXIN                              06-DEC-96   1P1P      
*TITLE     [PRO7,13] AA-CONOTOXIN PIVA, NMR, 12 STRUCTURES               
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: AA-CONOTOXIN PIVA;                                 
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: YES;                                             
*COMPND   5 MUTATION: PRO 7, PRO 13;                                     
*COMPND   6 BIOLOGICAL_UNIT: MONOMER                                     
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: BIOLOGICALLY ACTIVE PROTEIN;                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS;                     
*SOURCE   4 ORGANISM_COMMON: SEA SNAIL;                                  
*SOURCE   5 SECRETION: VENOM                                             
*KEYWDS    NEUROTOXIN, CONOTOXIN, ACETYLCHOLINE RECEPTOR BINDING,        
*KEYWDS   2 TRANSCRIPTION REGULATION                                     
*EXPDTA    NMR, 12 STRUCTURES                                            
*AUTHOR    K.-H.HAN,K.-J.HWANG,S.-M.KIM,S.-K.KIM,W.R.GRAY,               
*AUTHOR   2 B.M.OLIVERA,J.RIVIER,K.J.SHON                                
*REVDAT   1   12-OCT-04 1P1P    0   

#distance
1:CYS_2:SG         1:CYS_16:SG         1.600  2.500
1:CYS_2:CB         1:CYS_16:SG         2.600  3.500
1:CYS_2:SG         1:CYS_16:CB         2.600  3.500
1:CYS_3:SG         1:CYS_11:SG         1.600  2.500
1:CYS_3:CB         1:CYS_11:SG         2.600  3.500
1:CYS_3:SG         1:CYS_11:CB         2.600  3.500
1:CYS_14:SG        1:CYS_23:SG         1.600  2.500
1:CYS_14:CB        1:CYS_23:SG         2.600  3.500
1:CYS_14:SG        1:CYS_23:CB         2.600  3.500
1:SER_15:HN        1:CYS_16:HN         1.800  5.000
1:SER_21:HN        1:CYS_23:HN         1.800  5.000
1:TYR_22:HN        1:GLY_24:HN         1.800  5.000
1:CYS_2:HN         1:CYS_2:HA          1.800  3.500
1:CYS_3:HN         1:CYS_3:HA          1.800  3.500
1:TYR_6:HN         1:TYR_6:HA          1.800  3.500
1:CYS_11:HN        1:CYS_11:HA         1.800  3.500
1:SER_15:HN        1:SER_15:HA         1.800  3.500
1:CYS_16:HN        1:CYS_16:HA         1.800  3.500
1:LYS_17:HN        1:LYS_17:HA         1.800  3.500
1:ASP_18:HN       1:ASP_18:HA        1.800  3.500
1:CYS_2:HA         1:CYS_3:HN          1.800  5.000
1:CYS_3:HA         1:GLY_4:HN          1.800  5.000
1:CYS_14:HA        1:SER_15:HN         1.800  5.000
1:SER_15:HA        1:CYS_16:HN         1.800  5.000
1:CYS_16:HA        1:LYS_17:HN         1.800  5.000
1:LYS_17:HA        1:ASP_18:HN        1.800  5.000
1:ASP_18:HA       1:ARG_19:HN         1.800  5.000
1:GLY_24:HA*       1:GLN_25:HN         1.800  5.000
1:GLY_4:HA1        1:TYR_6:HN          1.800  5.000
1:GLY_4:HA2        1:TYR_6:HN          1.800  5.000
1:CYS_14:HA        1:CYS_16:HN         1.800  5.000
1:LYS_17:HA        1:ARG_19:HN         1.800  5.000
1:CYS_11:HA        1:CYS_14:HN         1.800  5.000
1:CYS_3:HN         1:CYS_3:HB1         1.800  5.000
1:CYS_3:HN         1:CYS_3:HB2         1.800  5.000
1:ALA_10:HN        1:ALA_10:HB*        1.800  5.000
1:CYS_11:HN        1:CYS_11:HB1        1.800  5.000
1:CYS_11:HN        1:CYS_11:HB2        1.800  5.000
1:SER_15:HN        1:SER_15:HB*        1.800  5.000
1:CYS_16:HN        1:CYS_16:HB1        1.800  5.000
1:CYS_16:HN        1:CYS_16:HB2        1.800  5.000
1:CYS_23:HN        1:CYS_23:HB2        1.800  5.000
1:CYS_2:HB1        1:CYS_3:HN          1.800  5.000
1:CYS_2:HB2        1:CYS_3:HN          1.800  5.000
1:CYS_3:HB1        1:GLY_4:HN          1.800  5.000
1:PRO_7:HB2        1:ASN_8:HN          1.800  5.000
1:ALA_9:HB*        1:ALA_10:HN         1.800  5.000
1:SER_15:HB*       1:CYS_16:HN         1.800  5.000
1:LYS_17:HB2       1:ASP_18:HN        1.800  5.000
1:TYR_22:HB2       1:CYS_23:HN         1.800  5.000
1:HIS_12:HB2       1:CYS_14:HN         1.800  5.000
1:CYS_16:HB1       1:ASP_18:HN        1.800  5.000
1:SER_21:HB*       1:CYS_23:HN         1.800  5.000
1:HIS_12:HB1       1:SER_15:HN         1.800  5.000
1:ARG_19:HB1       1:CYS_16:HN         1.800  5.000
1:ARG_19:HB1       1:CYS_23:HN         1.800  5.000
1:GLN_25:HG*       1:GLN_25:HN         1.800  5.000
1:PRO_13:HG*       1:CYS_14:HN         1.800  5.000
1:ARG_19:HG1       1:CYS_23:HN         1.800  5.000
1:ARG_19:HG2       1:CYS_23:HN         1.800  5.000
1:PRO_20:HG        1:CYS_2:HN          1.800  5.000
1:LYS_17:HD*       1:LYS_17:HN         1.800  5.000
1:ARG_19:HD1       1:ARG_19:HN         1.800  5.000
1:PRO_20:HD1       1:ARG_19:HN         1.800  5.000
1:PRO_20:HD2       1:ARG_19:HN         1.800  5.000
1:PRO_20:HD1       1:CYS_2:HN          1.800  5.000
1:PRO_20:HD2       1:CYS_2:HN          1.800  5.000
1:CYS_2:HA         1:CYS_2:HB2         1.800  3.500
1:CYS_3:HA         1:CYS_3:HB2         1.800  3.500
1:TYR_22:HA        1:GLN_25:HB1        1.800  5.000
1:CYS_14:HA        1:ARG_19:HB1        1.800  5.000
1:CYS_14:HA        1:ARG_19:HB2        1.800  5.000
1:ARG_19:HA        1:ARG_19:HG1        1.800  5.000
1:ARG_19:HA        1:ARG_19:HG2        1.800  5.000
1:TYR_22:HA        1:GLN_25:HG*        1.800  5.000
1:CYS_14:HA        1:ARG_19:HG1        1.800  5.000
1:LYS_17:HA        1:LYS_17:HD*        1.800  5.000
1:TYR_6:HA         1:PRO_7:HD1         1.800  5.000
1:TYR_6:HA         1:PRO_7:HD2         1.800  5.000
1:CYS_14:HA        1:ARG_19:HD1        1.800  5.000
1:CYS_14:HA        1:PRO_20:HD2        1.800  5.000
1:CYS_3:HB1        1:PRO_13:HA         1.800  5.000
1:CYS_3:HB2        1:PRO_13:HA         1.800  5.000
1:GLN_25:HG*       1:GLN_25:HE2*       1.800  5.000
1:GLN_25:HN        1:GLN_25:H11       1.800  3.500
1:GLN_25:HN        1:GLN_25:H12       1.800  3.500
!
#NOE_distance
1:CYS_2:HN       1:CYS_3:HN          2.565   3.235
1:CYS_3:HN       1:GLY_4:HN          2.604   3.235
1:SER_5:HN       1:TYR_6:HN          2.551   3.167
1:ALA_9:HN       1:ALA_10:HN         2.801   3.521
1:ALA_10:HN      1:CYS_11:HN         2.372   2.926
1:CYS_14:HN      1:SER_15:HN         2.276   2.748
1:ASP_18:HN     1:ARG_19:HN         1.800   3.909
1:SER_21:HN      1:TYR_22:HN         2.833   3.569
1:GLY_24:HN      1:CYS_23:HN         2.604   3.182
1:LYS_17:HN      1:ASP_18:HN        2.521   3.137
1:ASN_8:HN       1:ALA_9:HN          2.200   3.744
1:SER_5:HN       1:GLY_4:HN          2.080   4.658
1:CYS_23:HN      1:TYR_22:HN         2.711   3.326
1:CYS_2:HN       1:CYS_2:HB1         3.449   4.291
1:CYS_2:HN       1:CYS_2:HB2         2.943   3.584
1:SER_21:HN      1:PRO_20:HA         2.085   2.627
1:SER_21:HN      1:SER_21:HA         2.517   3.171
1:HIS_12:HN      1:HIS_12:HA         3.042   3.621
1:HIS_12:HN      1:CYS_11:HA         2.167   2.681
1:SER_21:HN      1:PRO_20:HB1        3.020   3.805
1:SER_21:HN      1:PRO_20:HB2        1.800   4.376
1:CYS_14:HN      1:CYS_14:HA         3.376   4.759
1:CYS_14:HN      1:PRO_13:HA         3.212   4.145
1:CYS_14:HN      1:PRO_13:HD2        1.800   4.761
1:CYS_14:HN      1:CYS_14:HB1        2.985   3.724
1:CYS_14:HN      1:CYS_14:HB2        2.315   2.917
1:HIS_12:HN      1:HIS_12:HB2        2.337   2.944
1:HIS_12:HN      1:HIS_12:HB1        2.433   3.054
1:CYS_14:HN      1:HIS_12:HB1        3.519   4.794
1:LYS_17:HN      1:CYS_16:HB1        3.004   3.785
1:LYS_17:HN      1:CYS_16:HB2        2.284   2.980
1:ASN_8:HN       1:ASN_8:HA          2.923   3.626
1:ASN_8:HN       1:PRO_7:HA          2.161   2.691
1:SER_5:HN       1:SER_5:HA          2.435   3.017
1:SER_5:HN       1:GLY_4:HA1         2.306   2.802
1:SER_5:HN       1:GLY_4:HA2         2.476   3.131
1:ALA_9:HN       1:ASN_8:HA          2.825   3.478
1:ALA_9:HN       1:ALA_9:HA          2.578   3.248
1:ASN_8:HN       1:PRO_7:HB1         2.486   4.258
1:LYS_17:HN      1:LYS_17:HB1        2.511   3.426
1:LYS_17:HN      1:LYS_17:HB2        2.028   2.555
1:GLY_4:HN       1:GLY_4:HA1         2.240   2.880
1:ALA_10:HN      1:ALA_10:HA         2.682   3.322
1:ALA_10:HN      1:ALA_9:HA          2.200   3.229
1:GLY_24:HN      1:CYS_23:HA         2.124   3.074
1:ASP_18:HN     1:CYS_16:HB2        2.990   3.800
1:ASP_18:HN     1:ASP_18:HB1       2.688   3.443 
1:ASP_18:HN     1:ASP_18:HB2       2.420   3.023
1:ASP_18:HN     1:LYS_17:HB2        2.414   2.981
1:GLY_24:HN      1:CYS_23:HB1        1.800   5.033
1:GLY_24:HN      1:CYS_23:HB2        1.800   3.962
1:TYR_6:HN       1:SER_5:HA          2.980   3.745
1:TYR_6:HN       1:TYR_6:HB1         3.346   4.216
1:TYR_6:HN       1:TYR_6:HB2         2.614   3.257
1:CYS_11:HN      1:ALA_10:HA         2.221   3.280
1:ARG_19:HN      1:ARG_19:HA         2.938   3.645
1:ARG_19:HN      1:ARG_19:HB1        3.429   4.320
1:ARG_19:HN      1:ARG_19:HB2        2.469   2.607
!1:ARG_19:HN      1:ARG_19:HG1        2.077   2.631
1:ARG_19:HN      1:ARG_19:HG1        2.077   3.131
1:ARG_19:HN      1:ARG_19:HG2        3.044   3.965
1:CYS_23:HN      1:CYS_23:HA         2.691   3.390
1:CYS_23:HN      1:TYR_22:HA         2.031   4.113
1:CYS_23:HN      1:SER_21:HA         3.093   4.350
1:TYR_22:HN      1:SER_21:HA         3.044   3.836
1:TYR_22:HN      1:TYR_22:HA         2.638   3.323
1:CYS_23:HN      1:CYS_23:HB1        2.855   3.750
1:TYR_22:HN      1:TYR_22:HB1        2.840   3.578
1:TYR_22:HN      1:TYR_22:HB2        1.800   3.164
1:TYR_22:HN      1:PRO_20:HB1        1.800   3.928
1:TYR_22:HN      1:PRO_20:HB2        2.224   3.332
1:CYS_23:HN      1:PRO_20:HB2        1.800   3.833
1:HIS_12:HA      1:PRO_13:HD1        1.988   2.505
1:HIS_12:HA      1:PRO_13:HD2        1.859   2.447
1:HIS_12:HA      1:HIS_12:HB1        2.175   2.740
1:HIS_12:HA      1:HIS_12:HB2        2.142   2.997
1:CYS_14:HA      1:CYS_14:HB1        2.363   2.977
1:CYS_2:HA       1:CYS_2:HB1         2.950   3.859
1:CYS_14:HA      1:CYS_14:HB2        2.849   3.590
1:ARG_19:HA      1:PRO_20:HD1        2.066   2.603
1:ARG_19:HA      1:PRO_20:HD2        2.534   3.192
1:ARG_19:HA      1:ARG_19:HB2        2.452   3.090
1:PRO_20:HA      1:PRO_20:HB1        2.164   2.727
1:ARG_19:HA      1:ARG_19:HB1        2.294   2.891
1:ARG_19:HA      1:ARG_19:HG1        4.277   5.424
1:ARG_19:HA      1:ARG_19:HG2        3.253   4.693
1:PRO_13:HA      1:PRO_13:HB1        2.128   2.681
1:PRO_20:HA      1:PRO_20:HB2        2.858   3.601
1:GLN_25:HA      1:GLN_25:HB1        2.686   3.522
1:GLN_25:HA      1:GLN_25:HB2        3.377   4.516
1:TYR_22:HA      1:TYR_22:HB1        2.102   2.649
1:CYS_11:HA      1:CYS_11:HB1        2.320   2.923
1:TYR_22:HA      1:TYR_22:HB2        2.225   2.803
1:CYS_11:HA      1:CYS_11:HB2        2.916   3.652
1:CYS_23:HA      1:CYS_23:HB1        2.219   2.796
1:CYS_23:HA      1:CYS_23:HB2        2.605   3.282
1:SER_15:HN      1:PRO_13:HA         1.800   6.331
1:CYS_16:HN      1:ARG_19:HB2        3.121   3.886
1:GLY_4:HN       1:GLY_4:HA2         2.441   3.025
1:CYS_14:HN      1:HIS_12:HA         1.800   5.386
1:CYS_14:HN      1:PRO_13:HD1        2.222   5.913
1:ARG_19:HN      1:ARG_19:HD2        2.507   5.734
1:CYS_23:HN      1:TYR_22:HB1        1.800   6.424
1:CYS_23:HN      1:PRO_20:HB1        1.800   5.817
1:GLY_24:HN      1:TYR_22:HA         3.077   5.703
1:GLY_24:HN      1:SER_21:HA         3.887   4.881
1:GLN_25:HN      1:GLN_25:HB1        3.818   5.569
1:GLN_25:HN      1:GLN_25:HB2        2.979   3.839
1:GLN_25:HN      1:GLN_25:HA         2.906   3.616
1:ARG_19:HE      1:ARG_19:HD1        2.715   3.374
1:ARG_19:HE      1:ARG_19:HD2        2.445   3.080
1:ARG_19:HE      1:ARG_19:HB1        2.010   5.132
1:ARG_19:HE      1:ARG_19:HB2        3.022   4.093
1:ARG_19:HE      1:ARG_19:HG1        2.526   3.183
1:ARG_19:HE      1:ARG_19:HG2        3.007   3.893
1:ARG_19:HD2     1:ARG_19:HB1        3.327   4.192
1:ARG_19:HD2     1:ARG_19:HB2        3.236   4.077
1:ARG_19:HD1     1:ARG_19:HB1        2.994   3.772
1:ARG_19:HD1     1:ARG_19:HB2        2.521   3.142
1:ARG_19:HD2     1:ARG_19:HG1        2.419   3.048
1:ARG_19:HD2     1:ARG_19:HG2        2.371   2.987
1:ARG_19:HD1     1:ARG_19:HG1        2.719   3.426
1:ARG_19:HD1     1:ARG_19:HG2        2.510   3.153
1:ARG_19:HB2     1:ARG_19:HG1        2.365   2.979
1:ARG_19:HB2     1:ARG_19:HG2        2.721   3.428
1:ARG_19:HB1     1:ARG_19:HG1        2.700   3.402
1:ARG_19:HB1     1:ARG_19:HG2        2.337   3.005
1:PRO_20:HD1     1:ARG_19:HB2        2.587   4.932
1:PRO_20:HD2     1:ARG_19:HB2        3.497   4.406
1:LYS_17:HA      1:LYS_17:HB1        2.232   2.813
1:LYS_17:HA      1:LYS_17:HB2        1.800   2.942
1:CYS_16:HA      1:ARG_19:HB1        1.800   5.407
1:CYS_16:HA      1:ARG_19:HB2        1.800   5.194
1:HIS_12:HD2     1:HIS_12:HA         3.155   5.969
1:HIS_12:HD2     1:HIS_12:HB1        3.518   5.377
1:HIS_12:HD2     1:HIS_12:HB2        3.563   4.627
1:ARG_19:HE      1:CYS_23:HB1        1.800   7.670
1:ARG_19:HE      1:CYS_23:HB2        1.800   6.590
1:CYS_11:HN      1:HIS_12:HN         3.083   4.970
1:GLN_25:H11    1:GLN_25:H12       1.800   2.760
1:HIS_12:HN      1:HIS_12:HD2        1.800   5.660
1:CYS_14:HA      1:ARG_19:HD2        3.711   4.459
1:CYS_14:HA      1:PRO_20:HD2        3.444   4.763
1:PRO_7:HA       1:PRO_7:HB1         2.312   2.912
1:PRO_13:HA      1:PRO_13:HD1        1.800   4.835
1:PRO_20:HD2     1:ARG_19:HB1        2.169   2.733
1:PRO_20:HD1     1:ARG_19:HB1        2.929   3.690
1:PRO_13:HD1     1:HIS_12:HB1        1.800   3.862
1:PRO_13:HD1     1:HIS_12:HB2        1.800   3.294
1:PRO_13:HD2     1:HIS_12:HB1        1.800   4.844
1:PRO_13:HD2     1:HIS_12:HB2        1.800   5.347
1:CYS_2:HN       1:GLY_1:HA*         1.800   4.120
1:CYS_3:HN       1:GLY_1:HA*         1.800   6.151
1:SER_5:HN       1:SER_5:HB*         1.800   4.621
1:SER_5:HA       1:SER_5:HB*         1.800   4.102
1:TYR_6:HN       1:TYR_6:HD*         1.800   5.343
1:TYR_6:HD*      1:SER_5:HB*         1.800   7.036
1:TYR_6:HD*      1:PRO_7:HD1         1.800   6.787
1:TYR_6:HD*      1:PRO_7:HD2         1.800   6.837
1:TYR_6:HE*      1:SER_5:HB*         1.800   7.172
1:ASN_8:HN       1:ASN_8:HB*         1.800   5.102
1:ASN_8:HA       1:ASN_8:HB*         1.800   4.086
1:ALA_9:HN       1:ASN_8:HB*         1.800   5.548
1:TYR_6:HN       1:SER_5:HB*         1.800   4.865
1:ASN_8:HD21     1:ASN_8:HB*         1.800   4.641
1:ASN_8:HD22     1:ASN_8:HB*         1.800   4.402
1:ALA_10:HN      1:ASN_8:HB*         1.800   5.737
1:SER_15:HA      1:SER_15:HB*        1.800   3.988
1:LYS_17:HN      1:LYS_17:HG*        1.800   4.610
1:LYS_17:HA      1:LYS_17:HG*        1.800   3.611
1:SER_21:HN      1:SER_21:HB*        1.800   3.866
1:SER_21:HA      1:SER_21:HB*        1.800   3.578
1:TYR_22:HN      1:SER_21:HB*        1.800   4.357
1:TYR_22:HD*     1:PRO_20:HB1        1.800   6.018
1:TYR_22:HD*     1:PRO_20:HB2        1.800   5.544
1:TYR_22:HD*     1:TYR_22:HA         1.800   4.986
1:TYR_22:HD*     1:CYS_23:HA         1.800   6.731
1:CYS_23:HN      1:TYR_22:HD*        1.800   6.449
1:TYR_22:HN      1:TYR_22:HD*        1.800   5.334
1:TYR_22:HE*     1:PRO_20:HB1        1.800   6.023
1:TYR_22:HE*     1:PRO_20:HB2        1.800   6.108
1:TYR_22:HN      1:TYR_22:HE*        1.800   6.365
1:TYR_22:HE*     1:PRO_13:HB2        1.800   6.618
1:TYR_22:HE*     1:PRO_13:HA         1.800   7.036
1:GLY_24:HN      1:GLY_24:HA*        1.800   3.590
1:ALA_9:HN       1:ALA_9:HB*         1.800   4.254
1:ALA_10:HA      1:ALA_10:HB*        1.800   3.987
1:ALA_9:HA       1:ALA_9:HB*         1.800   3.977
1:CYS_11:HN      1:ALA_10:HB*        1.800   4.984
1:ASN_8:HD22     1:ALA_10:HB*        1.800   7.461
1:SER_15:HN      1:CYS_14:HB1        3.172   3.997
1:CYS_14:HN      1:HIS_12:HB2        3.273   4.105
1:PRO_20:HG      1:PRO_13:HB1        1.993   2.833
1:PRO_20:HG      1:PRO_13:HB2        2.026   2.582
1:PRO_20:HD2     1:ARG_19:HG2        3.190   4.706
1:CYS_16:HA      1:CYS_16:HB1        2.903   3.581
1:CYS_16:HN      1:ARG_19:HB1        3.550   3.790
1:CYS_11:HN      1:CYS_11:HA         2.502   3.152
1:ALA_10:HN      1:CYS_11:HB2        3.273   5.198
1:CYS_23:HN      1:TYR_22:HB2        1.800   3.015
1:CYS_23:HN      1:CYS_23:HB2        2.162   2.760
1:CYS_11:HN      1:CYS_11:HB2        2.303   2.909
1:SER_15:HN      1:CYS_14:HB2        2.365   3.431
1:CYS_3:HN       1:CYS_2:HB2         2.719   3.383
1:ASN_8:HN       1:CYS_11:HB1        2.401   6.071
1:ASN_8:HN       1:CYS_11:HB2        2.034   3.888
1:CYS_3:HN       1:CYS_2:HB1         2.997   4.073
1:ASP_18:HN     1:LYS_17:HB1        3.112   3.920
1:CYS_14:HA      1:ARG_19:HB1        2.470   3.739
1:SER_15:HN      1:HIS_12:HB2        2.281   2.837
1:CYS_14:HA      1:CYS_23:HB2        2.829   4.044
1:CYS_16:HN      1:CYS_16:HB1        2.530   3.383
1:PRO_7:HD1      1:TYR_6:HB1         3.502   4.502
1:PRO_7:HD2      1:TYR_6:HB1         2.151   2.868
1:CYS_14:HB1     1:CYS_23:HB2        1.800   2.052
1:PRO_7:HD2      1:TYR_6:HB2         3.820   4.997
1:CYS_14:HB1     1:CYS_23:HB1        1.800   2.025
1:ASN_8:HD21     1:CYS_11:HB2        2.297   4.235
1:CYS_16:HN      1:SER_15:HB*        1.800   3.583
1:CYS_16:HN      1:CYS_14:HA         1.800   4.898
1:ASN_8:HD22     1:CYS_11:HB2        3.290   5.341
!
1:PRO_20:HG        1:PRO_20:HB1        1.800  2.609
1:PRO_7:HA         1:PRO_7:HG2         1.800  2.965
1:PRO_13:HA        1:PRO_13:HB2        1.800  2.673
1:PRO_7:HD2        1:PRO_7:HB1         1.800  3.997
1:PRO_13:HD1       1:PRO_13:HB2        1.800  2.781
1:PRO_13:HD2       1:PRO_13:HB2        1.800  2.729
1:CYS_14:HN        1:ARG_19:HB1        1.800  3.232
1:PRO_20:HG        1:CYS_2:HB2         1.800  3.007
1:GLY_4:HN         1:CYS_2:HB2         1.800  3.868
1:PRO_20:HG        1:CYS_2:HB1         1.800  3.438
1:ASN_8:HA         1:CYS_11:HB2        1.800  3.153
1:TYR_6:HD*        1:TYR_6:HB2         1.800  4.935
1:TYR_6:HD*        1:TYR_6:HB1         1.800  4.905
1:TYR_22:HD*       1:TYR_22:HB2        1.800  4.660
1:SER_15:HN        1:SER_15:HB*        1.800  4.087
1:GLN_25:HN        1:GLY_24:HA*        1.800  4.012
1:ALA_10:HN        1:ALA_10:HB*        1.800  3.824
1:ALA_10:HN        1:ALA_9:HB*         1.800  3.842
!
#3Jabdihedral
1:TYR_6:N          1:TYR_6:CA         1:TYR_6:CB         1:TYR_6:CG         260.000  340.000
1:ASN_8:N          1:ASN_8:CA         1:ASN_8:CB         1:ASN_8:CG         140.0    220.000
1:HIS_12:N         1:HIS_12:CA        1:HIS_12:CB        1:HIS_12:CG        140.000  220.000
1:LYS_17:N         1:LYS_17:CA        1:LYS_17:CB        1:LYS_17:CG        260.000  340.000
1:SER_21:N         1:SER_21:CA        1:SER_21:CB        1:SER_21:OG        20.000   100.000
1:TYR_22:N         1:TYR_22:CA        1:TYR_22:CB        1:TYR_22:CG        20.000   100.000
1:CYS_23:N         1:CYS_23:CA        1:CYS_23:CB        1:CYS_23:SG        140.000  220.000
!
#3J_dihedral
1:CYS_2:C          1:CYS_3:N          1:CYS_3:CA         1:CYS_3:C           -150.0  -90.0
1:SER_5:C          1:TYR_6:N          1:TYR_6:CA         1:TYR_6:C           -150.0  -90.0
1:ASN_8:C          1:ALA_9:N          1:ALA_9:CA         1:ALA_9:C            -90.0  -30.0
1:CYS_11:C         1:HIS_12:N         1:HIS_12:CA        1:HIS_12:C          -150.0  -90.0
1:PRO_13:C         1:CYS_14:N         1:CYS_14:CA        1:CYS_14:C          -150.0  -90.0
1:CYS_14:C         1:SER_15:N         1:SER_15:CA        1:SER_15:C          -150.0  -90.0
1:CYS_16:C         1:LYS_17:N         1:LYS_17:CA        1:LYS_17:C           -90.0  -30.0
1:LYS_17:C         1:ASP_18:N         1:ASP_18:CA        1:ASP_18:C          -150.0  -90.0
1:PRO_20:C         1:SER_21:N         1:SER_21:CA        1:SER_21:C           -90.0  -30.0
1:SER_21:C         1:TYR_22:N         1:TYR_22:CA        1:TYR_22:C           -90.0  -30.0
1:TYR_22:C         1:CYS_23:N         1:CYS_23:CA        1:CYS_23:C           -90.0  -30.0

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          3H        GLY   1  -0.904   8.928   8.928
    2   2H    GLY   1          1H        GLY   1  -2.064   8.040   8.040
    3   3H    GLY   1          2H        GLY   1  -0.856   8.741   8.741
    4   1HA   GLY   1          1HA       GLY   1   0.794   7.359   7.359
    5   2HA   GLY   1          2HA       GLY   1  -0.473   6.402   6.402
    6    H    CYS   2           H        CYS   2  -1.329   4.806   4.806
    7    HA   CYS   2           HA       CYS   2  -1.999   5.231   5.231
    8   1HB   CYS   2          1HB       CYS   2   0.408   4.110   4.110
    9   2HB   CYS   2          2HB       CYS   2  -0.228   2.910   2.910
   10    H    CYS   3           H        CYS   3  -2.051   2.409   2.409
   11    HA   CYS   3           HA       CYS   3  -4.743   1.927   1.927
   12   1HB   CYS   3          2HB       CYS   3  -2.912   0.479   0.479
   13   2HB   CYS   3          1HB       CYS   3  -3.632   1.251   1.251
   14    H    GLY   4           H        GLY   4  -3.178   4.510   4.510
   15   1HA   GLY   4          1HA       GLY   4  -5.188   5.203   5.203
   16   2HA   GLY   4          2HA       GLY   4  -4.036   6.338   6.338
   17    H    SER   5           H        SER   5  -7.177   6.150   6.150
   18    HA   SER   5           HA       SER   5  -9.079   6.936   6.936
   19   1HB   SER   5          1HB       SER   5  -7.116   8.168   8.168
   20   2HB   SER   5          2HB       SER   5  -8.785   8.646   8.646
   21    HG   SER   5           HG       SER   5  -7.282   9.956   9.956
   22    H    TYR   6           H        TYR   6  -8.049   4.238   4.238
   23    HA   TYR   6           HA       TYR   6  -9.667   3.832   3.832
   24   1HB   TYR   6          2HB       TYR   6  -6.760   3.118   3.118
   25   2HB   TYR   6          1HB       TYR   6  -7.771   1.975   1.975
   26    HD1  TYR   6           HD1      TYR   6  -8.796   2.557   2.557
   27    HD2  TYR   6           HD2      TYR   6  -6.199   5.306   5.306
   28    HE1  TYR   6           HE1      TYR   6  -8.620   3.931   3.931
   29    HE2  TYR   6           HE2      TYR   6  -6.024   6.681   6.681
   30    HH   TYR   6           HH       TYR   6  -6.692   6.947   6.947
   31    HA   PRO   7           HA       PRO   7 -11.175   0.275   0.275
   32   1HB   PRO   7          1HB       PRO   7 -10.501  -1.365  -1.365
   33   2HB   PRO   7          2HB       PRO   7 -12.015  -1.362  -1.362
   34   1HG   PRO   7          1HG       PRO   7 -11.909  -0.072  -0.072
   35   2HG   PRO   7          2HG       PRO   7 -12.764   0.654   0.654
   36   1HD   PRO   7          2HD       PRO   7  -9.992   1.261   1.261
   37   2HD   PRO   7          1HD       PRO   7 -11.229   2.381   2.381
   38    H    ASN   8           H        ASN   8 -10.413  -1.902  -1.902
   39    HA   ASN   8           HA       ASN   8  -7.452  -2.119  -2.119
   40   1HB   ASN   8          1HB       ASN   8  -8.904  -0.636  -0.636
   41   2HB   ASN   8          2HB       ASN   8  -8.867  -2.230  -2.230
   42   1HD2  ASN   8          1HD2      ASN   8  -5.099  -2.181  -2.181
   43   2HD2  ASN   8          2HD2      ASN   8  -6.434  -3.264  -3.264
   44    H    ALA   9           H        ALA   9 -10.116  -3.891  -3.891
   45    HA   ALA   9           HA       ALA   9 -10.174  -6.046  -6.046
   46   1HB   ALA   9          2HB       ALA   9 -11.834  -5.596  -5.596
   47   2HB   ALA   9          3HB       ALA   9 -10.619  -5.979  -5.979
   48   3HB   ALA   9          1HB       ALA   9 -11.201  -7.248  -7.248
   49    H    ALA  10           H        ALA  10  -8.265  -5.598  -5.598
   50    HA   ALA  10           HA       ALA  10  -6.419  -7.895  -7.895
   51   1HB   ALA  10          3HB       ALA  10  -7.195  -6.734  -6.734
   52   2HB   ALA  10          1HB       ALA  10  -5.951  -7.972  -7.972
   53   3HB   ALA  10          2HB       ALA  10  -7.651  -8.317  -8.317
   54    H    CYS  11           H        CYS  11  -6.454  -5.032  -5.032
   55    HA   CYS  11           HA       CYS  11  -4.206  -3.641  -3.641
   56   1HB   CYS  11          1HB       CYS  11  -6.501  -2.785  -2.785
   57   2HB   CYS  11          2HB       CYS  11  -6.811  -2.670  -2.670
   58    H    HIS  12           H        HIS  12  -2.605  -2.987  -2.987
   59    HA   HIS  12           HA       HIS  12  -2.739  -2.007  -2.007
   60   1HB   HIS  12          1HB       HIS  12  -2.212  -4.654  -4.654
   61   2HB   HIS  12          2HB       HIS  12  -0.658  -4.042  -4.042
   62    HD2  HIS  12           HD2      HIS  12  -2.673  -3.363  -3.363
   63    HE1  HIS  12           HE1      HIS  12   1.477  -3.790  -3.790
   64    HE2  HIS  12           HE2      HIS  12  -0.774  -3.404  -3.404
   65    HA   PRO  13           HA       PRO  13   0.236   0.816   0.816
   66   1HB   PRO  13          1HB       PRO  13   1.775   1.489   1.489
   67   2HB   PRO  13          2HB       PRO  13   0.040   1.698   1.698
   68   1HG   PRO  13          1HG       PRO  13   1.397  -0.668  -0.668
   69   2HG   PRO  13          2HG       PRO  13   0.564   0.659   0.659
   70   1HD   PRO  13          1HD       PRO  13  -0.789  -1.348  -1.348
   71   2HD   PRO  13          2HD       PRO  13  -1.543   0.107   0.107
   72    H    CYS  14           H        CYS  14   0.660  -2.013  -2.013
   73    HA   CYS  14           HA       CYS  14   3.665  -2.464  -2.464
   74   1HB   CYS  14          1HB       CYS  14   3.169  -2.937  -2.937
   75   2HB   CYS  14          2HB       CYS  14   1.781  -4.038  -4.038
   76    H    SER  15           H        SER  15   0.465  -4.199  -4.199
   77    HA   SER  15           HA       SER  15   0.992  -5.694  -5.694
   78   1HB   SER  15          1HB       SER  15  -0.922  -5.990  -5.990
   79   2HB   SER  15          2HB       SER  15  -1.638  -4.485  -4.485
   80    HG   SER  15           HG       SER  15  -1.535  -5.543  -5.543
   81    H    CYS  16           H        CYS  16   0.383  -2.238  -2.238
   82    HA   CYS  16           HA       CYS  16  -0.562  -1.566  -1.566
   83   1HB   CYS  16          1HB       CYS  16   1.352  -0.096  -0.096
   84   2HB   CYS  16          2HB       CYS  16   0.752   0.570   0.570
   85    H    LYS  17           H        LYS  17   0.580  -0.780  -0.780
   86    HA   LYS  17           HA       LYS  17   2.509  -2.614  -2.614
   87   1HB   LYS  17          2HB       LYS  17   1.327  -0.015  -0.015
   88   2HB   LYS  17          1HB       LYS  17   2.472  -0.921  -0.921
   89   1HG   LYS  17          1HG       LYS  17  -0.114  -2.129  -2.129
   90   2HG   LYS  17          2HG       LYS  17  -0.010  -1.294  -1.294
   91   1HD   LYS  17          1HD       LYS  17   1.652  -3.746  -3.746
   92   2HD   LYS  17          2HD       LYS  17   0.102  -3.789  -3.789
   93   1HE   LYS  17          2HE       LYS  17   1.046  -2.325  -2.325
   94   2HE   LYS  17          1HE       LYS  17   2.639  -2.419  -2.419
   95   1HZ   LYS  17          1HZ       LYS  17   1.104  -4.692  -4.692
   96   2HZ   LYS  17          3HZ       LYS  17   2.426  -4.007  -4.007
   97   3HZ   LYS  17          2HZ       LYS  17   2.574  -4.780  -4.780
   98    H    ASP  18           H        ASP  18   2.800   0.924   0.924
   99    HA   ASP  18           HA       ASP  18   5.698   0.518   0.518
  100   1HB   ASP  18          1HB       ASP  18   5.445   1.892   1.892
  101   2HB   ASP  18          2HB       ASP  18   4.326   2.973   2.973
  102    HD2  ASP  18           HD2      ASP  18   5.624   4.720   4.720
  103    H    ARG  19           H        ARG  19   5.132  -0.036  -0.036
  104    HA   ARG  19           HA       ARG  19   2.979   1.330   1.330
  105   1HB   ARG  19          1HB       ARG  19   3.357  -0.358  -0.358
  106   2HB   ARG  19          2HB       ARG  19   3.539  -1.089  -1.089
  107   1HG   ARG  19          2HG       ARG  19   5.617  -0.593  -0.593
  108   2HG   ARG  19          1HG       ARG  19   5.217  -2.120  -2.120
  109   1HD   ARG  19          1HD       ARG  19   6.602   0.183   0.183
  110   2HD   ARG  19          2HD       ARG  19   7.441  -1.133  -1.133
  111    HE   ARG  19           HE       ARG  19   5.941  -2.527  -2.527
  112   1HH1  ARG  19          2HH1      ARG  19   8.162   0.238   0.238
  113   2HH1  ARG  19          1HH1      ARG  19   8.709  -0.272  -0.272
  114   1HH2  ARG  19          2HH2      ARG  19   6.647  -3.137  -3.137
  115   2HH2  ARG  19          1HH2      ARG  19   7.871  -2.209  -2.209
  116    HA   HYP  20           HA       PRO  20   5.086   4.108   4.108
  117   1HB   HYP  20          1HB       PRO  20   3.757   4.224   4.224
  118   2HB   HYP  20          2HB       PRO  20   3.667   2.446   2.446
  119   1HD   HYP  20          1HD       PRO  20   2.131   2.875   2.875
  120   2HD   HYP  20          2HD       PRO  20   2.235   1.501   1.501
  121    HOD  HYP  20           HOG      PRO  20   2.045   5.333   5.333
  122    HG   HYP  20           HG       PRO  20   1.486   3.098   3.098
  123    H    SER  21           H        SER  21   7.206   3.670   3.670
  124    HA   SER  21           HA       SER  21   7.928   0.919   0.919
  125   1HB   SER  21          1HB       SER  21  10.195   1.783   1.783
  126   2HB   SER  21          2HB       SER  21   9.083   2.628   2.628
  127    HG   SER  21           HG       SER  21   9.896   3.571   3.571
  128    H    TYR  22           H        TYR  22   6.885   2.350   2.350
  129    HA   TYR  22           HA       TYR  22   8.798   1.478   1.478
  130   1HB   TYR  22          2HB       TYR  22   6.253   0.891   0.891
  131   2HB   TYR  22          1HB       TYR  22   7.184   2.346   2.346
  132    HD1  TYR  22           HD1      TYR  22   6.811   4.365   4.365
  133    HD2  TYR  22           HD2      TYR  22   4.096   1.051   1.051
  134    HE1  TYR  22           HE1      TYR  22   4.881   5.886   5.886
  135    HE2  TYR  22           HE2      TYR  22   2.177   2.590   2.590
  136    HH   TYR  22           HH       TYR  22   1.493   4.761   4.761
  137    H    CYS  23           H        CYS  23   6.452  -0.282  -0.282
  138    HA   CYS  23           HA       CYS  23   6.766  -2.737  -2.737
  139   1HB   CYS  23          1HB       CYS  23   4.854  -3.028  -3.028
  140   2HB   CYS  23          2HB       CYS  23   5.243  -1.950  -1.950
  141    H    GLY  24           H        GLY  24   9.090  -1.221  -1.221
  142   1HA   GLY  24          1HA       GLY  24  10.758  -3.604  -3.604
  143   2HA   GLY  24          2HA       GLY  24  10.939  -2.473  -2.473
  144    H    GLN  25           H        GLN  25  12.175  -0.691  -0.691
  145    HA   GLN  25           HA       GLN  25  11.708   0.996   0.996
  146   1HB   GLN  25          1HB       GLN  25  13.365  -0.577  -0.577
  147   2HB   GLN  25          2HB       GLN  25  14.623  -0.207  -0.207
  148   1HG   GLN  25          1HG       GLN  25  14.398   2.224   2.224
  149   2HG   GLN  25          2HG       GLN  25  13.130   1.802   1.802
  150   1HE2  GLN  25          2HE2      GLN  25  15.406   0.235   0.235
  151   2HE2  GLN  25          1HE2      GLN  25  13.789   0.083   0.083
  152   1HN   NH2  26          1H1       GLN  25  12.476   2.712   2.712
  153   2HN   NH2  26          2H1       GLN  25  11.215   1.904   1.904

  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -0.514   7.896   7.896
    2   2H    GLY   1          2H        GLY   1  -0.025   7.176   7.176
    3   3H    GLY   1          3H        GLY   1   0.991   7.248   7.248
    4   1HA   GLY   1          1HA       GLY   1   0.123   5.042   5.042
    5   2HA   GLY   1          2HA       GLY   1  -1.514   5.739   5.739
    6    H    CYS   2           H        CYS   2  -1.726   4.187   4.187
    7    HA   CYS   2           HA       CYS   2  -1.474   5.651   5.651
    8   1HB   CYS   2          1HB       CYS   2   0.862   4.512   4.512
    9   2HB   CYS   2          2HB       CYS   2   0.133   3.064   3.064
   10    H    CYS   3           H        CYS   3  -2.040   1.991   1.991
   11    HA   CYS   3           HA       CYS   3  -4.547   2.339   2.339
   12   1HB   CYS   3          2HB       CYS   3  -2.894   0.345   0.345
   13   2HB   CYS   3          1HB       CYS   3  -3.560   0.067   0.067
   14    H    GLY   4           H        GLY   4  -3.375   2.494   2.494
   15   1HA   GLY   4          2HA       GLY   4  -5.280   1.442   1.442
   16   2HA   GLY   4          1HA       GLY   4  -4.355   2.866   2.866
   17    H    SER   5           H        SER   5  -5.581   4.456   4.456
   18    HA   SER   5           HA       SER   5  -7.771   5.656   5.656
   19   1HB   SER   5          1HB       SER   5  -6.991   5.917   5.917
   20   2HB   SER   5          2HB       SER   5  -8.060   7.020   7.020
   21    HG   SER   5           HG       SER   5  -6.298   7.443   7.443
   22    H    TYR   6           H        TYR   6  -7.645   3.467   3.467
   23    HA   TYR   6           HA       TYR   6 -10.547   3.275   3.275
   24   1HB   TYR   6          2HB       TYR   6  -8.379   1.569   1.569
   25   2HB   TYR   6          1HB       TYR   6 -10.008   1.870   1.870
   26    HD1  TYR   6           HD2      TYR   6 -10.460   4.653   4.653
   27    HD2  TYR   6           HD1      TYR   6  -6.725   2.571   2.571
   28    HE1  TYR   6           HE2      TYR   6  -9.516   6.643   6.643
   29    HE2  TYR   6           HE1      TYR   6  -5.776   4.572   4.572
   30    HH   TYR   6           HH       TYR   6  -7.658   7.587   7.587
   31    HA   PRO   7           HA       PRO   7 -11.546   0.199   0.199
   32   1HB   PRO   7          2HB       PRO   7 -12.362  -1.569  -1.569
   33   2HB   PRO   7          1HB       PRO   7 -13.145  -1.383  -1.383
   34   1HG   PRO   7          1HG       PRO   7 -13.989   0.081   0.081
   35   2HG   PRO   7          2HG       PRO   7 -13.919   0.819   0.819
   36   1HD   PRO   7          2HD       PRO   7 -12.085   1.150   1.150
   37   2HD   PRO   7          1HD       PRO   7 -12.456   2.300   2.300
   38    H    ASN   8           H        ASN   8 -10.253  -1.015  -1.015
   39    HA   ASN   8           HA       ASN   8  -7.931  -2.405  -2.405
   40   1HB   ASN   8          1HB       ASN   8  -8.541  -1.060  -1.060
   41   2HB   ASN   8          2HB       ASN   8  -9.000  -2.691  -2.691
   42   1HD2  ASN   8          1HD2      ASN   8  -5.389  -3.622  -3.622
   43   2HD2  ASN   8          2HD2      ASN   8  -6.986  -4.185  -4.185
   44    H    ALA   9           H        ALA   9 -10.248  -3.611  -3.611
   45    HA   ALA   9           HA       ALA   9 -10.481  -6.306  -6.306
   46   1HB   ALA   9          3HB       ALA   9 -10.175  -5.166  -5.166
   47   2HB   ALA   9          1HB       ALA   9 -10.718  -6.813  -6.813
   48   3HB   ALA   9          2HB       ALA   9 -11.700  -5.413  -5.413
   49    H    ALA  10           H        ALA  10  -8.181  -4.855  -4.855
   50    HA   ALA  10           HA       ALA  10  -5.952  -6.690  -6.690
   51   1HB   ALA  10          3HB       ALA  10  -6.346  -5.139  -5.139
   52   2HB   ALA  10          1HB       ALA  10  -4.895  -6.065  -6.065
   53   3HB   ALA  10          2HB       ALA  10  -6.447  -6.893  -6.893
   54    H    CYS  11           H        CYS  11  -6.338  -3.565  -3.565
   55    HA   CYS  11           HA       CYS  11  -4.340  -1.980  -1.980
   56   1HB   CYS  11          2HB       CYS  11  -7.140  -1.414  -1.414
   57   2HB   CYS  11          1HB       CYS  11  -5.894  -0.146  -0.146
   58    H    HIS  12           H        HIS  12  -2.837  -2.840  -2.840
   59    HA   HIS  12           HA       HIS  12  -2.664  -1.260  -1.260
   60   1HB   HIS  12          1HB       HIS  12  -2.331  -3.982  -3.982
   61   2HB   HIS  12          2HB       HIS  12  -0.707  -3.450  -3.450
   62    HD2  HIS  12           HD2      HIS  12  -3.089  -2.669  -2.669
   63    HE1  HIS  12           HE1      HIS  12   0.980  -3.095  -3.095
   64    HE2  HIS  12           HE2      HIS  12  -1.373  -2.637  -2.637
   65    HA   PRO  13           HA       PRO  13   0.397   1.268   1.268
   66   1HB   PRO  13          1HB       PRO  13   1.964   1.951   1.951
   67   2HB   PRO  13          2HB       PRO  13   0.241   2.260   2.260
   68   1HG   PRO  13          1HG       PRO  13   1.458  -0.151  -0.151
   69   2HG   PRO  13          2HG       PRO  13   0.707   1.249   1.249
   70   1HD   PRO  13          1HD       PRO  13  -0.787  -0.675  -0.675
   71   2HD   PRO  13          2HD       PRO  13  -1.409   0.805   0.805
   72    H    CYS  14           H        CYS  14   0.730  -1.630  -1.630
   73    HA   CYS  14           HA       CYS  14   3.682  -1.965  -1.965
   74   1HB   CYS  14          2HB       CYS  14   2.069  -4.255  -4.255
   75   2HB   CYS  14          1HB       CYS  14   3.874  -3.739  -3.739
   76    H    SER  15           H        SER  15   0.366  -3.610  -3.610
   77    HA   SER  15           HA       SER  15   0.848  -5.142  -5.142
   78   1HB   SER  15          1HB       SER  15  -1.694  -3.560  -3.560
   79   2HB   SER  15          2HB       SER  15  -1.577  -5.147  -5.147
   80    HG   SER  15           HG       SER  15  -0.749  -5.979  -5.979
   81    H    CYS  16           H        CYS  16   0.451  -1.607  -1.607
   82    HA   CYS  16           HA       CYS  16  -0.091  -1.247  -1.247
   83   1HB   CYS  16          1HB       CYS  16   1.677   0.339   0.339
   84   2HB   CYS  16          2HB       CYS  16   1.385   0.813   0.813
   85    H    LYS  17           H        LYS  17   1.382  -0.851  -0.851
   86    HA   LYS  17           HA       LYS  17   3.392  -2.874  -2.874
   87   1HB   LYS  17          2HB       LYS  17   2.495  -0.503  -0.503
   88   2HB   LYS  17          1HB       LYS  17   3.726  -1.661  -1.661
   89   1HG   LYS  17          1HG       LYS  17   2.106  -3.512  -3.512
   90   2HG   LYS  17          2HG       LYS  17   0.864  -2.353  -2.353
   91   1HD   LYS  17          1HD       LYS  17   0.974  -1.189  -1.189
   92   2HD   LYS  17          2HD       LYS  17   2.302  -2.243  -2.243
   93   1HE   LYS  17          2HE       LYS  17   0.241  -3.020  -3.020
   94   2HE   LYS  17          1HE       LYS  17   0.819  -4.224  -4.224
   95   1HZ   LYS  17          2HZ       LYS  17  -1.282  -2.219  -2.219
   96   2HZ   LYS  17          1HZ       LYS  17  -1.544  -3.810  -3.810
   97   3HZ   LYS  17          3HZ       LYS  17  -0.792  -3.383  -3.383
   98    H    ASP  18           H        ASP  18   3.528   0.709   0.709
   99    HA   ASP  18           HA       ASP  18   6.323   0.556   0.556
  100   1HB   ASP  18          2HB       ASP  18   6.151   1.744   1.744
  101   2HB   ASP  18          1HB       ASP  18   5.000   2.884   2.884
  102    HD1  ASP  18           HD2      ASP  18   8.196   1.551   1.551
  103    H    ARG  19           H        ARG  19   5.465   0.085   0.085
  104    HA   ARG  19           HA       ARG  19   3.293   1.648   1.648
  105   1HB   ARG  19          1HB       ARG  19   3.371  -0.072  -0.072
  106   2HB   ARG  19          2HB       ARG  19   3.643  -0.802  -0.802
  107   1HG   ARG  19          2HG       ARG  19   5.540  -0.471  -0.471
  108   2HG   ARG  19          1HG       ARG  19   5.164  -1.956  -1.956
  109   1HD   ARG  19          1HD       ARG  19   6.781   0.280   0.280
  110   2HD   ARG  19          2HD       ARG  19   7.485  -1.028  -1.028
  111    HE   ARG  19           HE       ARG  19   6.031  -2.241  -2.241
  112   1HH1  ARG  19          2HH1      ARG  19   8.948  -0.301  -0.301
  113   2HH1  ARG  19          1HH1      ARG  19   9.766  -0.917  -0.917
  114   1HH2  ARG  19          2HH2      ARG  19   7.054  -2.907  -2.907
  115   2HH2  ARG  19          1HH2      ARG  19   8.713  -2.462  -2.462
  116    HA   HYP  20           HA       PRO  20   5.435   4.305   4.305
  117   1HB   HYP  20          1HB       PRO  20   4.132   4.488   4.488
  118   2HB   HYP  20          2HB       PRO  20   4.003   2.718   2.718
  119   1HD   HYP  20          1HD       PRO  20   2.445   3.053   3.053
  120   2HD   HYP  20          2HD       PRO  20   2.552   1.721   1.721
  121    HOD  HYP  20           HOG      PRO  20   2.422   5.606   5.606
  122    HG   HYP  20           HG       PRO  20   1.832   3.390   3.390
  123    H    SER  21           H        SER  21   7.539   3.895   3.895
  124    HA   SER  21           HA       SER  21   8.450   1.236   1.236
  125   1HB   SER  21          1HB       SER  21  10.676   2.213   2.213
  126   2HB   SER  21          2HB       SER  21   9.660   3.142   3.142
  127    HG   SER  21           HG       SER  21   9.286   4.645   4.645
  128    H    TYR  22           H        TYR  22   7.244   2.604   2.604
  129    HA   TYR  22           HA       TYR  22   9.037   1.564   1.564
  130   1HB   TYR  22          2HB       TYR  22   6.454   1.003   1.003
  131   2HB   TYR  22          1HB       TYR  22   7.419   2.390   2.390
  132    HD1  TYR  22           HD1      TYR  22   7.199   4.504   4.504
  133    HD2  TYR  22           HD2      TYR  22   4.309   1.345   1.345
  134    HE1  TYR  22           HE1      TYR  22   5.351   6.135   6.135
  135    HE2  TYR  22           HE2      TYR  22   2.483   3.001   3.001
  136    HH   TYR  22           HH       TYR  22   1.932   5.210   5.210
  137    H    CYS  23           H        CYS  23   6.752  -0.037  -0.037
  138    HA   CYS  23           HA       CYS  23   6.736  -2.377  -2.377
  139   1HB   CYS  23          1HB       CYS  23   4.767  -1.685  -1.685
  140   2HB   CYS  23          2HB       CYS  23   5.826  -2.867  -2.867
  141    H    GLY  24           H        GLY  24   9.248  -1.306  -1.306
  142   1HA   GLY  24          1HA       GLY  24  10.544  -3.748  -3.748
  143   2HA   GLY  24          2HA       GLY  24   9.918  -2.956  -2.956
  144    H    GLN  25           H        GLN  25  11.826  -2.415  -2.415
  145    HA   GLN  25           HA       GLN  25  13.915  -0.931  -0.931
  146   1HB   GLN  25          1HB       GLN  25  12.246   1.063   1.063
  147   2HB   GLN  25          2HB       GLN  25  11.850   0.660   0.660
  148   1HG   GLN  25          1HG       GLN  25  13.289   2.570   2.570
  149   2HG   GLN  25          2HG       GLN  25  14.199   1.227   1.227
  150   1HE2  GLN  25          2HE2      GLN  25  15.294   2.731   2.731
  151   2HE2  GLN  25          1HE2      GLN  25  13.703   3.061   3.061
  152   1HN   NH2  26          1H1       GLN  25  13.595  -1.762  -1.762
  153   2HN   NH2  26          2H1       GLN  25  12.185  -1.168  -1.168

  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -0.449   8.865   8.865
    2   2H    GLY   1          2H        GLY   1  -1.750   7.964   7.964
    3   3H    GLY   1          3H        GLY   1  -0.631   8.419   8.419
    4   1HA   GLY   1          1HA       GLY   1   1.058   7.093   7.093
    5   2HA   GLY   1          2HA       GLY   1  -0.352   6.121   6.121
    6    H    CYS   2           H        CYS   2  -1.289   4.885   4.885
    7    HA   CYS   2           HA       CYS   2  -1.478   5.762   5.762
    8   1HB   CYS   2          1HB       CYS   2   0.836   4.497   4.497
    9   2HB   CYS   2          2HB       CYS   2   0.079   3.243   3.243
   10    H    CYS   3           H        CYS   3  -2.024   2.606   2.606
   11    HA   CYS   3           HA       CYS   3  -4.725   2.544   2.544
   12   1HB   CYS   3          2HB       CYS   3  -2.977   1.011   1.011
   13   2HB   CYS   3          1HB       CYS   3  -4.749   0.841   0.841
   14    H    GLY   4           H        GLY   4  -3.148   4.715   4.715
   15   1HA   GLY   4          2HA       GLY   4  -4.474   4.990   4.990
   16   2HA   GLY   4          1HA       GLY   4  -3.924   6.364   6.364
   17    H    SER   5           H        SER   5  -5.725   5.582   5.582
   18    HA   SER   5           HA       SER   5  -8.398   6.525   6.525
   19   1HB   SER   5          1HB       SER   5  -8.571   7.884   7.884
   20   2HB   SER   5          2HB       SER   5  -7.158   8.348   8.348
   21    HG   SER   5           HG       SER   5  -5.867   7.081   7.081
   22    H    TYR   6           H        TYR   6  -7.603   3.695   3.695
   23    HA   TYR   6           HA       TYR   6  -9.756   3.074   3.074
   24   1HB   TYR   6          2HB       TYR   6  -6.954   1.953   1.953
   25   2HB   TYR   6          1HB       TYR   6  -8.321   1.207   1.207
   26    HD1  TYR   6           HD1      TYR   6  -6.074   4.165   4.165
   27    HD2  TYR   6           HD2      TYR   6  -9.279   2.212   2.212
   28    HE1  TYR   6           HE1      TYR   6  -5.697   5.656   5.656
   29    HE2  TYR   6           HE2      TYR   6  -8.933   3.736   3.736
   30    HH   TYR   6           HH       TYR   6  -6.404   6.273   6.273
   31    HA   PRO   7           HA       PRO   7 -10.928   0.268   0.268
   32   1HB   PRO   7          1HB       PRO   7 -11.871  -1.461  -1.461
   33   2HB   PRO   7          2HB       PRO   7 -12.740  -0.997  -0.997
   34   1HG   PRO   7          1HG       PRO   7 -13.307   0.231   0.231
   35   2HG   PRO   7          2HG       PRO   7 -13.258   1.154   1.154
   36   1HD   PRO   7          2HD       PRO   7 -11.163   0.953   0.953
   37   2HD   PRO   7          1HD       PRO   7 -11.667   2.348   2.348
   38    H    ASN   8           H        ASN   8  -9.650  -1.110  -1.110
   39    HA   ASN   8           HA       ASN   8  -7.563  -2.741  -2.741
   40   1HB   ASN   8          1HB       ASN   8  -7.727  -1.618  -1.618
   41   2HB   ASN   8          2HB       ASN   8  -8.817  -2.950  -2.950
   42   1HD2  ASN   8          1HD2      ASN   8  -4.823  -3.686  -3.686
   43   2HD2  ASN   8          2HD2      ASN   8  -5.583  -2.166  -2.166
   44    H    ALA   9           H        ALA   9  -9.734  -3.589  -3.589
   45    HA   ALA   9           HA       ALA   9 -10.706  -6.139  -6.139
   46   1HB   ALA   9          3HB       ALA   9  -9.623  -5.159  -5.159
   47   2HB   ALA   9          1HB       ALA   9 -10.581  -6.636  -6.636
   48   3HB   ALA   9          2HB       ALA   9 -11.302  -5.046  -5.046
   49    H    ALA  10           H        ALA  10  -7.786  -5.299  -5.299
   50    HA   ALA  10           HA       ALA  10  -6.048  -6.830  -6.830
   51   1HB   ALA  10          3HB       ALA  10  -6.195  -7.602  -7.602
   52   2HB   ALA  10          1HB       ALA  10  -4.978  -8.174  -8.174
   53   3HB   ALA  10          2HB       ALA  10  -6.679  -8.627  -8.627
   54    H    CYS  11           H        CYS  11  -6.223  -4.237  -4.237
   55    HA   CYS  11           HA       CYS  11  -4.292  -3.095  -3.095
   56   1HB   CYS  11          1HB       CYS  11  -6.902  -2.768  -2.768
   57   2HB   CYS  11          2HB       CYS  11  -6.697  -1.658  -1.658
   58    H    HIS  12           H        HIS  12  -2.769  -3.551  -3.551
   59    HA   HIS  12           HA       HIS  12  -2.555  -1.583  -1.583
   60   1HB   HIS  12          1HB       HIS  12  -1.968  -4.250  -4.250
   61   2HB   HIS  12          2HB       HIS  12  -0.488  -3.619  -3.619
   62    HD2  HIS  12           HD2      HIS  12  -2.212  -2.728  -2.728
   63    HE1  HIS  12           HE1      HIS  12   1.987  -2.963  -2.963
   64    HE2  HIS  12           HE2      HIS  12  -0.166  -2.574  -2.574
   65    HA   PRO  13           HA       PRO  13   0.271   1.121   1.121
   66   1HB   PRO  13          1HB       PRO  13   1.963   1.798   1.798
   67   2HB   PRO  13          2HB       PRO  13   0.254   2.121   2.121
   68   1HG   PRO  13          1HG       PRO  13   1.539  -0.252  -0.252
   69   2HG   PRO  13          2HG       PRO  13   0.799   1.149   1.149
   70   1HD   PRO  13          1HD       PRO  13  -0.687  -0.791  -0.791
   71   2HD   PRO  13          2HD       PRO  13  -1.379   0.637   0.637
   72    H    CYS  14           H        CYS  14   0.598  -1.710  -1.710
   73    HA   CYS  14           HA       CYS  14   3.547  -2.360  -2.360
   74   1HB   CYS  14          1HB       CYS  14   3.182  -2.732  -2.732
   75   2HB   CYS  14          2HB       CYS  14   1.682  -3.741  -3.741
   76    H    SER  15           H        SER  15   0.228  -3.849  -3.849
   77    HA   SER  15           HA       SER  15   0.445  -5.424  -5.424
   78   1HB   SER  15          1HB       SER  15  -1.424  -5.393  -5.393
   79   2HB   SER  15          2HB       SER  15  -1.937  -3.810  -3.810
   80    HG   SER  15           HG       SER  15  -3.078  -5.575  -5.575
   81    H    CYS  16           H        CYS  16   0.147  -1.876  -1.876
   82    HA   CYS  16           HA       CYS  16  -0.610  -1.243  -1.243
   83   1HB   CYS  16          1HB       CYS  16   1.330   0.135   0.135
   84   2HB   CYS  16          2HB       CYS  16   0.992   0.739   0.739
   85    H    LYS  17           H        LYS  17   0.681  -0.651  -0.651
   86    HA   LYS  17           HA       LYS  17   2.474  -2.744  -2.744
   87   1HB   LYS  17          2HB       LYS  17   1.566  -0.181  -0.181
   88   2HB   LYS  17          1HB       LYS  17   2.547  -1.432  -1.432
   89   1HG   LYS  17          1HG       LYS  17   0.719  -3.089  -3.089
   90   2HG   LYS  17          2HG       LYS  17  -0.224  -1.842  -1.842
   91   1HD   LYS  17          1HD       LYS  17  -1.124  -1.961  -1.961
   92   2HD   LYS  17          2HD       LYS  17  -0.161  -0.468  -0.468
   93   1HE   LYS  17          2HE       LYS  17   0.232  -1.553  -1.553
   94   2HE   LYS  17          1HE       LYS  17   1.716  -1.624  -1.624
   95   1HZ   LYS  17          3HZ       LYS  17  -0.253  -3.796  -3.796
   96   2HZ   LYS  17          2HZ       LYS  17   1.200  -3.706  -3.706
   97   3HZ   LYS  17          1HZ       LYS  17   1.147  -3.892  -3.892
   98    H    ASP  18           H        ASP  18   2.918   0.817   0.817
   99    HA   ASP  18           HA       ASP  18   5.808   0.378   0.378
  100   1HB   ASP  18          1HB       ASP  18   5.587   1.638   1.638
  101   2HB   ASP  18          2HB       ASP  18   4.448   2.767   2.767
  102    HD1  ASP  18           HD2      ASP  18   8.320   2.887   2.887
  103    H    ARG  19           H        ARG  19   5.175  -0.098  -0.098
  104    HA   ARG  19           HA       ARG  19   3.135   1.455   1.455
  105   1HB   ARG  19          1HB       ARG  19   3.386  -0.234  -0.234
  106   2HB   ARG  19          2HB       ARG  19   3.468  -0.976  -0.976
  107   1HG   ARG  19          2HG       ARG  19   5.598  -0.713  -0.713
  108   2HG   ARG  19          1HG       ARG  19   5.072  -2.177  -2.177
  109   1HD   ARG  19          1HD       ARG  19   6.647   0.021   0.021
  110   2HD   ARG  19          2HD       ARG  19   7.388  -1.350  -1.350
  111    HE   ARG  19           HE       ARG  19   5.704  -2.508  -2.508
  112   1HH1  ARG  19          2HH1      ARG  19   8.599  -0.461  -0.461
  113   2HH1  ARG  19          1HH1      ARG  19   9.183  -1.008  -1.008
  114   1HH2  ARG  19          2HH2      ARG  19   6.402  -3.088  -3.088
  115   2HH2  ARG  19          1HH2      ARG  19   7.963  -2.563  -2.563
  116    HA   HYP  20           HA       PRO  20   5.399   4.186   4.186
  117   1HB   HYP  20          1HB       PRO  20   4.212   4.303   4.303
  118   2HB   HYP  20          2HB       PRO  20   4.026   2.534   2.534
  119   1HD   HYP  20          1HD       PRO  20   2.449   3.079   3.079
  120   2HD   HYP  20          2HD       PRO  20   2.438   1.716   1.716
  121    HOD  HYP  20           HOG      PRO  20   2.607   5.572   5.572
  122    HG   HYP  20           HG       PRO  20   1.858   3.398   3.398
  123    H    SER  21           H        SER  21   7.358   4.094   4.094
  124    HA   SER  21           HA       SER  21   8.871   1.870   1.870
  125   1HB   SER  21          1HB       SER  21  10.626   3.023   3.023
  126   2HB   SER  21          2HB       SER  21   9.866   3.944   3.944
  127    HG   SER  21           HG       SER  21   9.272   4.132   4.132
  128    H    TYR  22           H        TYR  22   7.152   2.459   2.459
  129    HA   TYR  22           HA       TYR  22   8.915   1.261   1.261
  130   1HB   TYR  22          2HB       TYR  22   6.286   0.569   0.569
  131   2HB   TYR  22          1HB       TYR  22   7.240   1.871   1.871
  132    HD1  TYR  22           HD2      TYR  22   7.192   4.127   4.127
  133    HD2  TYR  22           HD1      TYR  22   4.134   1.083   1.083
  134    HE1  TYR  22           HE2      TYR  22   5.462   5.847   5.847
  135    HE2  TYR  22           HE1      TYR  22   2.404   2.834   2.834
  136    HH   TYR  22           HH       TYR  22   1.966   5.057   5.057
  137    H    CYS  23           H        CYS  23   6.793  -0.188  -0.188
  138    HA   CYS  23           HA       CYS  23   7.125  -2.888  -2.888
  139   1HB   CYS  23          1HB       CYS  23   5.012  -2.887  -2.887
  140   2HB   CYS  23          2HB       CYS  23   5.294  -1.842  -1.842
  141    H    GLY  24           H        GLY  24   9.199  -1.147  -1.147
  142   1HA   GLY  24          1HA       GLY  24  10.737  -3.443  -3.443
  143   2HA   GLY  24          2HA       GLY  24  10.480  -2.126  -2.126
  144    H    GLN  25           H        GLN  25  10.936  -2.158  -2.158
  145    HA   GLN  25           HA       GLN  25  13.619  -1.203  -1.203
  146   1HB   GLN  25          1HB       GLN  25  12.591   1.014   1.014
  147   2HB   GLN  25          2HB       GLN  25  11.429   1.039   1.039
  148   1HG   GLN  25          1HG       GLN  25  13.342   1.250   1.250
  149   2HG   GLN  25          2HG       GLN  25  14.475   1.137   1.137
  150   1HE2  GLN  25          2HE2      GLN  25  12.143   4.555   4.555
  151   2HE2  GLN  25          1HE2      GLN  25  11.580   3.018   3.018
  152   1HN   NH2  26          1H1       GLN  25  12.500  -2.806  -2.806
  153   2HN   NH2  26          2H1       GLN  25  13.241  -3.043  -3.043

  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   0.842   8.716   8.716
    2   2H    GLY   1          2H        GLY   1  -0.772   9.010   9.010
    3   3H    GLY   1          3H        GLY   1  -0.068   8.794   8.794
    4   1HA   GLY   1          1HA       GLY   1   0.457   6.515   6.515
    5   2HA   GLY   1          2HA       GLY   1  -1.289   6.851   6.851
    6    H    CYS   2           H        CYS   2  -1.322   4.932   4.932
    7    HA   CYS   2           HA       CYS   2  -1.182   5.768   5.768
    8   1HB   CYS   2          1HB       CYS   2   1.099   4.490   4.490
    9   2HB   CYS   2          2HB       CYS   2   0.176   3.226   3.226
   10    H    CYS   3           H        CYS   3  -2.008   2.650   2.650
   11    HA   CYS   3           HA       CYS   3  -4.435   2.420   2.420
   12   1HB   CYS   3          2HB       CYS   3  -3.082   1.207   1.207
   13   2HB   CYS   3          1HB       CYS   3  -4.837   1.021   1.021
   14    H    GLY   4           H        GLY   4  -3.273   4.660   4.660
   15   1HA   GLY   4          2HA       GLY   4  -4.426   6.322   6.322
   16   2HA   GLY   4          1HA       GLY   4  -5.336   6.349   6.349
   17    H    SER   5           H        SER   5  -7.491   6.393   6.393
   18    HA   SER   5           HA       SER   5  -8.553   4.748   4.748
   19   1HB   SER   5          1HB       SER   5  -9.702   7.209   7.209
   20   2HB   SER   5          2HB       SER   5 -10.376   6.362   6.362
   21    HG   SER   5           HG       SER   5  -8.418   6.871   6.871
   22    H    TYR   6           H        TYR   6  -7.890   3.685   3.685
   23    HA   TYR   6           HA       TYR   6 -10.522   3.211   3.211
   24   1HB   TYR   6          2HB       TYR   6  -7.781   2.147   2.147
   25   2HB   TYR   6          1HB       TYR   6  -9.229   2.180   2.180
   26    HD1  TYR   6           HD2      TYR   6 -10.209   4.997   4.997
   27    HD2  TYR   6           HD1      TYR   6  -6.246   3.426   3.426
   28    HE1  TYR   6           HE2      TYR   6  -9.461   7.210   7.210
   29    HE2  TYR   6           HE1      TYR   6  -5.505   5.646   5.646
   30    HH   TYR   6           HH       TYR   6  -6.100   7.832   7.832
   31    HA   PRO   7           HA       PRO   7 -11.545  -0.587  -0.587
   32   1HB   PRO   7          2HB       PRO   7 -11.349  -1.807  -1.807
   33   2HB   PRO   7          1HB       PRO   7 -12.493  -2.161  -2.161
   34   1HG   PRO   7          1HG       PRO   7 -13.142  -0.367  -0.367
   35   2HG   PRO   7          2HG       PRO   7 -13.585  -0.035  -0.035
   36   1HD   PRO   7          2HD       PRO   7 -11.353   1.107   1.107
   37   2HD   PRO   7          1HD       PRO   7 -12.276   1.874   1.874
   38    H    ASN   8           H        ASN   8  -9.860  -0.999  -0.999
   39    HA   ASN   8           HA       ASN   8  -7.279  -1.922  -1.922
   40   1HB   ASN   8          1HB       ASN   8  -8.048  -0.741  -0.741
   41   2HB   ASN   8          2HB       ASN   8  -8.933  -2.194  -2.194
   42   1HD2  ASN   8          1HD2      ASN   8  -4.798  -2.477  -2.477
   43   2HD2  ASN   8          2HD2      ASN   8  -5.700  -1.277  -1.277
   44    H    ALA   9           H        ALA   9  -8.828  -4.074  -4.074
   45    HA   ALA   9           HA       ALA   9  -7.275  -6.016  -6.016
   46   1HB   ALA   9          3HB       ALA   9 -10.106  -6.666  -6.666
   47   2HB   ALA   9          1HB       ALA   9  -8.942  -7.732  -7.732
   48   3HB   ALA   9          2HB       ALA   9  -9.496  -6.223  -6.223
   49    H    ALA  10           H        ALA  10  -6.041  -5.673  -5.673
   50    HA   ALA  10           HA       ALA  10  -4.982  -7.536  -7.536
   51   1HB   ALA  10          3HB       ALA  10  -7.250  -6.270  -6.270
   52   2HB   ALA  10          1HB       ALA  10  -5.873  -7.124  -7.124
   53   3HB   ALA  10          2HB       ALA  10  -6.984  -8.000  -8.000
   54    H    CYS  11           H        CYS  11  -6.374  -4.454  -4.454
   55    HA   CYS  11           HA       CYS  11  -4.041  -3.176  -3.176
   56   1HB   CYS  11          1HB       CYS  11  -6.641  -2.894  -2.894
   57   2HB   CYS  11          2HB       CYS  11  -6.584  -1.775  -1.775
   58    H    HIS  12           H        HIS  12  -2.867  -3.815  -3.815
   59    HA   HIS  12           HA       HIS  12  -2.855  -1.720  -1.720
   60   1HB   HIS  12          1HB       HIS  12  -2.270  -4.418  -4.418
   61   2HB   HIS  12          2HB       HIS  12  -0.687  -3.766  -3.766
   62    HD2  HIS  12           HD2      HIS  12  -3.248  -2.857  -2.857
   63    HE1  HIS  12           HE1      HIS  12   0.781  -2.984  -2.984
   64    HE2  HIS  12           HE2      HIS  12  -1.632  -2.604  -2.604
   65    HA   PRO  13           HA       PRO  13   0.170   0.911   0.911
   66   1HB   PRO  13          1HB       PRO  13   1.628   1.752   1.752
   67   2HB   PRO  13          2HB       PRO  13  -0.112   1.998   1.998
   68   1HG   PRO  13          1HG       PRO  13   1.138  -0.272  -0.272
   69   2HG   PRO  13          2HG       PRO  13   0.259   1.127   1.127
   70   1HD   PRO  13          1HD       PRO  13  -1.076  -0.910  -0.910
   71   2HD   PRO  13          2HD       PRO  13  -1.745   0.475   0.475
   72    H    CYS  14           H        CYS  14   0.711  -1.968  -1.968
   73    HA   CYS  14           HA       CYS  14   3.668  -2.198  -2.198
   74   1HB   CYS  14          2HB       CYS  14   2.132  -4.550  -4.550
   75   2HB   CYS  14          1HB       CYS  14   3.878  -3.914  -3.914
   76    H    SER  15           H        SER  15   0.417  -3.954  -3.954
   77    HA   SER  15           HA       SER  15   0.960  -5.360  -5.360
   78   1HB   SER  15          1HB       SER  15  -1.026  -5.482  -5.482
   79   2HB   SER  15          2HB       SER  15  -1.635  -3.964  -3.964
   80    HG   SER  15           HG       SER  15  -2.515  -5.873  -5.873
   81    H    CYS  16           H        CYS  16   0.442  -1.845  -1.845
   82    HA   CYS  16           HA       CYS  16  -0.126  -1.307  -1.307
   83   1HB   CYS  16          1HB       CYS  16   1.602   0.167   0.167
   84   2HB   CYS  16          2HB       CYS  16   1.474   0.699   0.699
   85    H    LYS  17           H        LYS  17   1.376  -0.685  -0.685
   86    HA   LYS  17           HA       LYS  17   3.266  -2.766  -2.766
   87   1HB   LYS  17          2HB       LYS  17   2.402  -0.226  -0.226
   88   2HB   LYS  17          1HB       LYS  17   3.735  -1.214  -1.214
   89   1HG   LYS  17          1HG       LYS  17   1.849  -1.923  -1.923
   90   2HG   LYS  17          2HG       LYS  17   2.114  -3.181  -3.181
   91   1HD   LYS  17          1HD       LYS  17   0.283  -2.321  -2.321
   92   2HD   LYS  17          2HD       LYS  17   0.138  -0.879  -0.879
   93   1HE   LYS  17          2HE       LYS  17  -0.461  -2.377  -2.377
   94   2HE   LYS  17          1HE       LYS  17  -0.386  -3.773  -3.773
   95   1HZ   LYS  17          3HZ       LYS  17  -2.150  -2.750  -2.750
   96   2HZ   LYS  17          2HZ       LYS  17  -2.196  -1.463  -1.463
   97   3HZ   LYS  17          1HZ       LYS  17  -2.610  -2.962  -2.962
   98    H    ASP  18           H        ASP  18   3.701   0.812   0.812
   99    HA   ASP  18           HA       ASP  18   6.434   0.356   0.356
  100   1HB   ASP  18          1HB       ASP  18   6.507   1.624   1.624
  101   2HB   ASP  18          2HB       ASP  18   5.298   2.766   2.766
  102    HD2  ASP  18           HD2      ASP  18   6.788   4.403   4.403
  103    H    ARG  19           H        ARG  19   5.533  -0.089  -0.089
  104    HA   ARG  19           HA       ARG  19   3.321   1.438   1.438
  105   1HB   ARG  19          1HB       ARG  19   3.381  -0.268  -0.268
  106   2HB   ARG  19          2HB       ARG  19   3.711  -1.001  -1.001
  107   1HG   ARG  19          2HG       ARG  19   5.543  -0.635  -0.635
  108   2HG   ARG  19          1HG       ARG  19   5.207  -2.126  -2.126
  109   1HD   ARG  19          1HD       ARG  19   6.826   0.139   0.139
  110   2HD   ARG  19          2HD       ARG  19   7.518  -1.192  -1.192
  111    HE   ARG  19           HE       ARG  19   6.169  -2.449  -2.449
  112   1HH1  ARG  19          2HH1      ARG  19   8.830  -0.127  -0.127
  113   2HH1  ARG  19          1HH1      ARG  19   9.632  -0.636  -0.636
  114   1HH2  ARG  19          2HH2      ARG  19   7.172  -3.021  -3.021
  115   2HH2  ARG  19          1HH2      ARG  19   8.717  -2.333  -2.333
  116    HA   HYP  20           HA       PRO  20   5.279   4.144   4.144
  117   1HB   HYP  20          1HB       PRO  20   3.862   4.303   4.303
  118   2HB   HYP  20          2HB       PRO  20   3.715   2.531   2.531
  119   1HD   HYP  20          1HD       PRO  20   2.408   2.898   2.898
  120   2HD   HYP  20          2HD       PRO  20   2.409   1.575   1.575
  121    HOD  HYP  20           HOG      PRO  20   2.272   5.456   5.456
  122    HG   HYP  20           HG       PRO  20   1.604   3.255   3.255
  123    H    SER  21           H        SER  21   7.370   3.732   3.732
  124    HA   SER  21           HA       SER  21   8.257   1.034   1.034
  125   1HB   SER  21          1HB       SER  21  10.490   2.059   2.059
  126   2HB   SER  21          2HB       SER  21   9.507   2.828   2.828
  127    HG   SER  21           HG       SER  21   9.954   3.780   3.780
  128    H    TYR  22           H        TYR  22   6.907   2.513   2.513
  129    HA   TYR  22           HA       TYR  22   8.600   1.565   1.565
  130   1HB   TYR  22          2HB       TYR  22   5.968   0.954   0.954
  131   2HB   TYR  22          1HB       TYR  22   6.872   2.358   2.358
  132    HD1  TYR  22           HD1      TYR  22   6.763   4.444   4.444
  133    HD2  TYR  22           HD2      TYR  22   3.863   1.268   1.268
  134    HE1  TYR  22           HE1      TYR  22   4.930   6.064   6.064
  135    HE2  TYR  22           HE2      TYR  22   2.038   2.904   2.904
  136    HH   TYR  22           HH       TYR  22   1.480   5.114   5.114
  137    H    CYS  23           H        CYS  23   6.492  -0.142  -0.142
  138    HA   CYS  23           HA       CYS  23   6.404  -2.439  -2.439
  139   1HB   CYS  23          1HB       CYS  23   4.590  -1.850  -1.850
  140   2HB   CYS  23          2HB       CYS  23   5.749  -3.001  -3.001
  141    H    GLY  24           H        GLY  24   9.032  -1.361  -1.361
  142   1HA   GLY  24          1HA       GLY  24  10.360  -3.850  -3.850
  143   2HA   GLY  24          2HA       GLY  24   9.908  -2.990  -2.990
  144    H    GLN  25           H        GLN  25  11.208  -2.209  -2.209
  145    HA   GLN  25           HA       GLN  25  13.721  -1.226  -1.226
  146   1HB   GLN  25          2HB       GLN  25  11.789   0.606   0.606
  147   2HB   GLN  25          1HB       GLN  25  13.554   0.840   0.840
  148   1HG   GLN  25          1HG       GLN  25  11.867   0.836   0.836
  149   2HG   GLN  25          2HG       GLN  25  12.297   2.282   2.282
  150   1HE2  GLN  25          2HE2      GLN  25  14.973   0.613   0.613
  151   2HE2  GLN  25          1HE2      GLN  25  13.386  -0.088  -0.088
  152   1HN   NH2  26          1H1       GLN  25  13.035  -2.234  -2.234
  153   2HN   NH2  26          2H1       GLN  25  11.819  -1.301  -1.301

  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   0.327   7.775   7.775
    2   2H    GLY   1          2H        GLY   1   0.919   8.223   8.223
    3   3H    GLY   1          3H        GLY   1   1.355   6.774   6.774
    4   1HA   GLY   1          1HA       GLY   1  -0.242   6.379   6.379
    5   2HA   GLY   1          2HA       GLY   1  -1.335   7.521   7.521
    6    H    CYS   2           H        CYS   2  -1.602   4.607   4.607
    7    HA   CYS   2           HA       CYS   2  -2.772   3.871   3.871
    8   1HB   CYS   2          1HB       CYS   2  -0.193   3.002   3.002
    9   2HB   CYS   2          2HB       CYS   2  -0.710   2.056   2.056
   10    H    CYS   3           H        CYS   3  -2.011   2.351   2.351
   11    HA   CYS   3           HA       CYS   3  -4.837   1.532   1.532
   12   1HB   CYS   3          1HB       CYS   3  -2.321   0.980   0.980
   13   2HB   CYS   3          2HB       CYS   3  -3.856   0.848   0.848
   14    H    GLY   4           H        GLY   4  -3.690   4.283   4.283
   15   1HA   GLY   4          1HA       GLY   4  -4.699   5.940   5.940
   16   2HA   GLY   4          2HA       GLY   4  -4.628   6.353   6.353
   17    H    SER   5           H        SER   5  -6.771   7.359   7.359
   18    HA   SER   5           HA       SER   5  -9.154   6.168   6.168
   19   1HB   SER   5          1HB       SER   5 -10.201   7.759   7.759
   20   2HB   SER   5          2HB       SER   5  -8.962   8.521   8.521
   21    HG   SER   5           HG       SER   5  -8.738   9.055   9.055
   22    H    TYR   6           H        TYR   6  -7.323   5.560   5.560
   23    HA   TYR   6           HA       TYR   6  -9.245   4.323   4.323
   24   1HB   TYR   6          2HB       TYR   6  -6.305   3.589   3.589
   25   2HB   TYR   6          1HB       TYR   6  -7.269   3.379   3.379
   26    HD1  TYR   6           HD2      TYR   6  -8.417   5.649   5.649
   27    HD2  TYR   6           HD1      TYR   6  -4.883   5.441   5.441
   28    HE1  TYR   6           HE2      TYR   6  -7.814   7.958   7.958
   29    HE2  TYR   6           HE1      TYR   6  -4.273   7.740   7.740
   30    HH   TYR   6           HH       TYR   6  -6.322   9.692   9.692
   31    HA   PRO   7           HA       PRO   7 -10.492   0.487   0.487
   32   1HB   PRO   7          2HB       PRO   7  -9.198  -0.817  -0.817
   33   2HB   PRO   7          1HB       PRO   7 -10.715  -1.231  -1.231
   34   1HG   PRO   7          1HG       PRO   7 -10.717   0.412   0.412
   35   2HG   PRO   7          2HG       PRO   7 -11.804   0.733   0.733
   36   1HD   PRO   7          2HD       PRO   7  -9.251   2.108   2.108
   37   2HD   PRO   7          1HD       PRO   7 -10.665   2.768   2.768
   38    H    ASN   8           H        ASN   8  -9.817  -0.937  -0.937
   39    HA   ASN   8           HA       ASN   8  -6.965  -1.321  -1.321
   40   1HB   ASN   8          1HB       ASN   8  -8.720  -0.049  -0.049
   41   2HB   ASN   8          2HB       ASN   8  -9.043  -1.707  -1.707
   42   1HD2  ASN   8          1HD2      ASN   8  -5.267  -1.936  -1.936
   43   2HD2  ASN   8          2HD2      ASN   8  -6.372  -2.809  -2.809
   44    H    ALA   9           H        ALA   9 -10.121  -2.986  -2.986
   45    HA   ALA   9           HA       ALA   9  -9.528  -5.334  -5.334
   46   1HB   ALA   9          2HB       ALA   9 -11.806  -4.549  -4.549
   47   2HB   ALA   9          3HB       ALA   9 -11.405  -4.897  -4.897
   48   3HB   ALA   9          1HB       ALA   9 -11.527  -6.223  -6.223
   49    H    ALA  10           H        ALA  10  -8.588  -4.459  -4.459
   50    HA   ALA  10           HA       ALA  10  -7.128  -7.047  -7.047
   51   1HB   ALA  10          2HB       ALA  10  -9.081  -7.040  -7.040
   52   2HB   ALA  10          3HB       ALA  10  -8.571  -5.474  -5.474
   53   3HB   ALA  10          1HB       ALA  10  -7.560  -6.920  -6.920
   54    H    CYS  11           H        CYS  11  -6.040  -5.012  -5.012
   55    HA   CYS  11           HA       CYS  11  -3.855  -3.954  -3.954
   56   1HB   CYS  11          1HB       CYS  11  -5.419  -2.238  -2.238
   57   2HB   CYS  11          2HB       CYS  11  -6.042  -2.265  -2.265
   58    H    HIS  12           H        HIS  12  -2.095  -3.971  -3.971
   59    HA   HIS  12           HA       HIS  12  -2.082  -3.022  -3.022
   60   1HB   HIS  12          1HB       HIS  12  -1.365  -5.573  -5.573
   61   2HB   HIS  12          2HB       HIS  12   0.091  -4.795  -4.795
   62    HD2  HIS  12           HD2      HIS  12  -1.672  -4.514  -4.514
   63    HE1  HIS  12           HE1      HIS  12   2.530  -4.516  -4.516
   64    HE2  HIS  12           HE2      HIS  12   0.361  -4.415  -4.415
   65    HA   PRO  13           HA       PRO  13   0.258   0.243   0.243
   66   1HB   PRO  13          1HB       PRO  13   1.897   1.040   1.040
   67   2HB   PRO  13          2HB       PRO  13   0.183   0.992   0.992
   68   1HG   PRO  13          1HG       PRO  13   1.976  -1.212  -1.212
   69   2HG   PRO  13          2HG       PRO  13   1.067  -0.074  -0.074
   70   1HD   PRO  13          1HD       PRO  13  -0.074  -2.216  -2.216
   71   2HD   PRO  13          2HD       PRO  13  -1.074  -0.851  -0.851
   72    H    CYS  14           H        CYS  14   1.032  -2.472  -2.472
   73    HA   CYS  14           HA       CYS  14   4.041  -2.660  -2.660
   74   1HB   CYS  14          1HB       CYS  14   3.694  -3.058  -3.058
   75   2HB   CYS  14          2HB       CYS  14   2.426  -4.332  -4.332
   76    H    SER  15           H        SER  15   0.993  -4.678  -4.678
   77    HA   SER  15           HA       SER  15   1.591  -6.252  -6.252
   78   1HB   SER  15          1HB       SER  15  -1.085  -5.079  -5.079
   79   2HB   SER  15          2HB       SER  15  -0.841  -6.523  -6.523
   80    HG   SER  15           HG       SER  15  -1.186  -7.074  -7.074
   81    H    CYS  16           H        CYS  16   0.729  -2.859  -2.859
   82    HA   CYS  16           HA       CYS  16  -0.248  -2.272  -2.272
   83   1HB   CYS  16          1HB       CYS  16   1.497  -0.600  -0.600
   84   2HB   CYS  16          2HB       CYS  16   0.541   0.015   0.015
   85    H    LYS  17           H        LYS  17   0.779  -1.305  -1.305
   86    HA   LYS  17           HA       LYS  17   3.093  -2.725  -2.725
   87   1HB   LYS  17          2HB       LYS  17   1.410  -0.498  -0.498
   88   2HB   LYS  17          1HB       LYS  17   2.617  -1.389  -1.389
   89   1HG   LYS  17          1HG       LYS  17   0.174  -2.668  -2.668
   90   2HG   LYS  17          2HG       LYS  17   0.232  -2.110  -2.110
   91   1HD   LYS  17          1HD       LYS  17   2.072  -4.241  -4.241
   92   2HD   LYS  17          2HD       LYS  17   0.557  -4.578  -4.578
   93   1HE   LYS  17          2HE       LYS  17   2.935  -3.164  -3.164
   94   2HE   LYS  17          1HE       LYS  17   2.495  -4.875  -4.875
   95   1HZ   LYS  17          3HZ       LYS  17   0.413  -4.123  -4.123
   96   2HZ   LYS  17          2HZ       LYS  17   0.859  -2.546  -2.546
   97   3HZ   LYS  17          1HZ       LYS  17   1.691  -3.526  -3.526
   98    H    ASP  18           H        ASP  18   2.422   0.763   0.763
   99    HA   ASP  18           HA       ASP  18   5.354   1.243   1.243
  100   1HB   ASP  18          1HB       ASP  18   4.449   2.506   2.506
  101   2HB   ASP  18          2HB       ASP  18   3.158   3.164   3.164
  102    HD2  ASP  18           HD2      ASP  18   4.144   5.125   5.125
  103    H    ARG  19           H        ARG  19   5.135   0.407   0.407
  104    HA   ARG  19           HA       ARG  19   2.776   1.151   1.151
  105   1HB   ARG  19          1HB       ARG  19   3.600  -0.553  -0.553
  106   2HB   ARG  19          2HB       ARG  19   3.935  -1.136  -1.136
  107   1HG   ARG  19          1HG       ARG  19   6.482   0.069   0.069
  108   2HG   ARG  19          2HG       ARG  19   5.809  -0.612  -0.612
  109   1HD   ARG  19          2HD       ARG  19   7.252  -2.200  -2.200
  110   2HD   ARG  19          1HD       ARG  19   5.594  -2.802  -2.802
  111    HE   ARG  19           HE       ARG  19   6.592  -1.339  -1.339
  112   1HH1  ARG  19          2HH1      ARG  19   5.411  -4.439  -4.439
  113   2HH1  ARG  19          1HH1      ARG  19   5.477  -5.230  -5.230
  114   1HH2  ARG  19          2HH2      ARG  19   6.280  -2.334  -2.334
  115   2HH2  ARG  19          1HH2      ARG  19   5.964  -4.047  -4.047
  116    HA   HYP  20           HA       PRO  20   4.462   4.338   4.338
  117   1HB   HYP  20          1HB       PRO  20   3.305   4.166   4.166
  118   2HB   HYP  20          2HB       PRO  20   3.529   2.412   2.412
  119   1HD   HYP  20          1HD       PRO  20   1.852   2.710   2.710
  120   2HD   HYP  20          2HD       PRO  20   2.089   1.301   1.301
  121    HOD  HYP  20           HOG      PRO  20   1.376   4.975   4.975
  122    HG   HYP  20           HG       PRO  20   1.231   2.674   2.674
  123    H    SER  21           H        SER  21   6.188   4.706   4.706
  124    HA   SER  21           HA       SER  21   8.556   3.513   3.513
  125   1HB   SER  21          1HB       SER  21   8.871   4.447   4.447
  126   2HB   SER  21          2HB       SER  21   8.900   5.432   5.432
  127    HG   SER  21           HG       SER  21   7.476   6.270   6.270
  128    H    TYR  22           H        TYR  22   6.493   2.882   2.882
  129    HA   TYR  22           HA       TYR  22   8.509   1.865   1.865
  130   1HB   TYR  22          2HB       TYR  22   6.097   0.601   0.601
  131   2HB   TYR  22          1HB       TYR  22   6.812   2.014   2.014
  132    HD1  TYR  22           HD2      TYR  22   6.247   4.316   4.316
  133    HD2  TYR  22           HD1      TYR  22   3.893   0.732   0.732
  134    HE1  TYR  22           HE2      TYR  22   4.262   5.694   5.694
  135    HE2  TYR  22           HE1      TYR  22   1.870   2.137   2.137
  136    HH   TYR  22           HH       TYR  22   2.011   5.700   5.700
  137    H    CYS  23           H        CYS  23   6.568   0.175   0.175
  138    HA   CYS  23           HA       CYS  23   7.636  -2.453  -2.453
  139   1HB   CYS  23          1HB       CYS  23   5.462  -2.776  -2.776
  140   2HB   CYS  23          2HB       CYS  23   5.582  -1.777  -1.777
  141    H    GLY  24           H        GLY  24   8.727  -0.204  -0.204
  142   1HA   GLY  24          1HA       GLY  24  10.503  -2.106  -2.106
  143   2HA   GLY  24          2HA       GLY  24  10.143  -0.447  -0.447
  144    H    GLN  25           H        GLN  25  10.700  -1.331  -1.331
  145    HA   GLN  25           HA       GLN  25  13.503  -0.531  -0.531
  146   1HB   GLN  25          2HB       GLN  25  11.269   1.143   1.143
  147   2HB   GLN  25          1HB       GLN  25  12.999   1.217   1.217
  148   1HG   GLN  25          1HG       GLN  25  13.469   1.893   1.893
  149   2HG   GLN  25          2HG       GLN  25  11.713   1.944   1.944
  150   1HE2  GLN  25          2HE2      GLN  25  13.469   4.836   4.836
  151   2HE2  GLN  25          1HE2      GLN  25  14.271   3.296   3.296
  152   1HN   NH2  26          1H1       GLN  25  11.427  -2.228  -2.228
  153   2HN   NH2  26          2H1       GLN  25  10.597  -1.061  -1.061

  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   2.534   7.323   7.323
    2   2H    GLY   1          2H        GLY   1   1.071   7.726   7.726
    3   3H    GLY   1          3H        GLY   1   1.742   8.673   8.673
    4   1HA   GLY   1          1HA       GLY   1   1.561   6.918   6.918
    5   2HA   GLY   1          2HA       GLY   1  -0.015   7.324   7.324
    6    H    CYS   2           H        CYS   2  -0.977   5.303   5.303
    7    HA   CYS   2           HA       CYS   2  -0.267   3.296   3.296
    8   1HB   CYS   2          1HB       CYS   2   0.988   2.216   2.216
    9   2HB   CYS   2          2HB       CYS   2  -0.247   2.777   2.777
   10    H    CYS   3           H        CYS   3  -2.639   2.545   2.545
   11    HA   CYS   3           HA       CYS   3  -4.612   2.632   2.632
   12   1HB   CYS   3          2HB       CYS   3  -3.949   0.690   0.690
   13   2HB   CYS   3          1HB       CYS   3  -4.473   1.570   1.570
   14    H    GLY   4           H        GLY   4  -3.619   4.814   4.814
   15   1HA   GLY   4          2HA       GLY   4  -4.642   6.754   6.754
   16   2HA   GLY   4          1HA       GLY   4  -5.546   6.669   6.669
   17    H    SER   5           H        SER   5  -7.643   7.150   7.150
   18    HA   SER   5           HA       SER   5  -8.756   6.447   6.447
   19   1HB   SER   5          1HB       SER   5 -10.805   7.434   7.434
   20   2HB   SER   5          2HB       SER   5  -9.376   8.486   8.486
   21    HG   SER   5           HG       SER   5 -10.482   8.307   8.307
   22    H    TYR   6           H        TYR   6  -8.407   4.613   4.613
   23    HA   TYR   6           HA       TYR   6 -10.993   3.383   3.383
   24   1HB   TYR   6          2HB       TYR   6  -8.536   2.367   2.367
   25   2HB   TYR   6          1HB       TYR   6 -10.224   2.137   2.137
   26    HD1  TYR   6           HD1      TYR   6 -11.388   4.834   4.834
   27    HD2  TYR   6           HD2      TYR   6  -7.524   3.547   3.547
   28    HE1  TYR   6           HE1      TYR   6 -11.178   6.914   6.914
   29    HE2  TYR   6           HE2      TYR   6  -7.324   5.628   5.628
   30    HH   TYR   6           HH       TYR   6  -8.306   7.629   7.629
   31    HA   PRO   7           HA       PRO   7 -10.176   1.004   1.004
   32   1HB   PRO   7          2HB       PRO   7 -12.161  -1.127  -1.127
   33   2HB   PRO   7          1HB       PRO   7 -12.205   0.088   0.088
   34   1HG   PRO   7          1HG       PRO   7 -13.777   0.413   0.413
   35   2HG   PRO   7          2HG       PRO   7 -12.958   1.792   1.792
   36   1HD   PRO   7          1HD       PRO   7 -11.982   0.013   0.013
   37   2HD   PRO   7          2HD       PRO   7 -12.248   1.769   1.769
   38    H    ASN   8           H        ASN   8  -9.780  -1.069  -1.069
   39    HA   ASN   8           HA       ASN   8  -7.696  -2.715  -2.715
   40   1HB   ASN   8          1HB       ASN   8  -8.035  -1.924  -1.924
   41   2HB   ASN   8          2HB       ASN   8  -9.271  -3.199  -3.199
   42   1HD2  ASN   8          1HD2      ASN   8  -5.254  -4.172  -4.172
   43   2HD2  ASN   8          2HD2      ASN   8  -5.812  -2.539  -2.539
   44    H    ALA   9           H        ALA   9  -9.649  -3.163  -3.163
   45    HA   ALA   9           HA       ALA   9 -10.815  -5.746  -5.746
   46   1HB   ALA   9          3HB       ALA   9  -9.369  -4.469  -4.469
   47   2HB   ALA   9          1HB       ALA   9 -10.367  -5.939  -5.939
   48   3HB   ALA   9          2HB       ALA   9 -11.109  -4.383  -4.383
   49    H    ALA  10           H        ALA  10  -7.690  -4.841  -4.841
   50    HA   ALA  10           HA       ALA  10  -6.255  -6.563  -6.563
   51   1HB   ALA  10          3HB       ALA  10  -5.990  -7.106  -7.106
   52   2HB   ALA  10          1HB       ALA  10  -4.977  -7.821  -7.821
   53   3HB   ALA  10          2HB       ALA  10  -6.702  -8.209  -8.209
   54    H    CYS  11           H        CYS  11  -6.415  -3.853  -3.853
   55    HA   CYS  11           HA       CYS  11  -4.084  -2.744  -2.744
   56   1HB   CYS  11          2HB       CYS  11  -6.544  -1.568  -1.568
   57   2HB   CYS  11          1HB       CYS  11  -5.092  -0.603  -0.603
   58    H    HIS  12           H        HIS  12  -2.566  -3.824  -3.824
   59    HA   HIS  12           HA       HIS  12  -1.837  -2.332  -2.332
   60   1HB   HIS  12          1HB       HIS  12  -1.359  -4.942  -4.942
   61   2HB   HIS  12          2HB       HIS  12   0.049  -4.201  -4.201
   62    HD2  HIS  12           HD2      HIS  12  -1.296  -4.043  -4.043
   63    HE1  HIS  12           HE1      HIS  12   2.903  -3.971  -3.971
   64    HE2  HIS  12           HE2      HIS  12   0.888  -3.998  -3.998
   65    HA   PRO  13           HA       PRO  13   0.372   0.740   0.740
   66   1HB   PRO  13          1HB       PRO  13   2.191   1.487   1.487
   67   2HB   PRO  13          2HB       PRO  13   0.514   1.540   1.540
   68   1HG   PRO  13          1HG       PRO  13   2.250  -0.769  -0.769
   69   2HG   PRO  13          2HG       PRO  13   1.519   0.424   0.424
   70   1HD   PRO  13          1HD       PRO  13   0.143  -1.612  -1.612
   71   2HD   PRO  13          2HD       PRO  13  -0.754  -0.177  -0.177
   72    H    CYS  14           H        CYS  14   0.986  -1.960  -1.960
   73    HA   CYS  14           HA       CYS  14   3.993  -2.302  -2.302
   74   1HB   CYS  14          1HB       CYS  14   3.717  -2.695  -2.695
   75   2HB   CYS  14          2HB       CYS  14   2.313  -3.850  -3.850
   76    H    SER  15           H        SER  15   0.826  -4.104  -4.104
   77    HA   SER  15           HA       SER  15   1.453  -5.793  -5.793
   78   1HB   SER  15          1HB       SER  15  -0.633  -5.821  -5.821
   79   2HB   SER  15          2HB       SER  15  -1.143  -4.295  -4.295
   80    HG   SER  15           HG       SER  15  -2.050  -6.122  -6.122
   81    H    CYS  16           H        CYS  16   0.828  -2.294  -2.294
   82    HA   CYS  16           HA       CYS  16   0.336  -1.923  -1.923
   83   1HB   CYS  16          1HB       CYS  16   1.584  -0.064  -0.064
   84   2HB   CYS  16          2HB       CYS  16   1.106   0.424   0.424
   85    H    LYS  17           H        LYS  17   1.764  -0.806  -0.806
   86    HA   LYS  17           HA       LYS  17   4.305  -2.160  -2.160
   87   1HB   LYS  17          2HB       LYS  17   2.689  -0.182  -0.182
   88   2HB   LYS  17          1HB       LYS  17   4.236  -0.854  -0.854
   89   1HG   LYS  17          1HG       LYS  17   3.311  -3.120  -3.120
   90   2HG   LYS  17          2HG       LYS  17   1.793  -2.519  -2.519
   91   1HD   LYS  17          1HD       LYS  17   1.420  -1.127  -1.127
   92   2HD   LYS  17          2HD       LYS  17   2.886  -1.834  -1.834
   93   1HE   LYS  17          2HE       LYS  17   1.902  -4.079  -4.079
   94   2HE   LYS  17          1HE       LYS  17   0.461  -3.432  -3.432
   95   1HZ   LYS  17          3HZ       LYS  17   0.006  -2.148  -2.148
   96   2HZ   LYS  17          2HZ       LYS  17   1.338  -2.751  -2.751
   97   3HZ   LYS  17          1HZ       LYS  17   0.088  -3.751  -3.751
   98    H    ASP  18           H        ASP  18   3.253   1.309   1.309
   99    HA   ASP  18           HA       ASP  18   5.977   2.132   2.132
  100   1HB   ASP  18          1HB       ASP  18   5.129   3.335   3.335
  101   2HB   ASP  18          2HB       ASP  18   3.614   3.708   3.708
  102    HD1  ASP  18           HD2      ASP  18   7.017   5.567   5.567
  103    H    ARG  19           H        ARG  19   5.550   1.080   1.080
  104    HA   ARG  19           HA       ARG  19   3.153   1.854   1.854
  105   1HB   ARG  19          1HB       ARG  19   3.725  -0.142  -0.142
  106   2HB   ARG  19          2HB       ARG  19   4.026  -0.515  -0.515
  107   1HG   ARG  19          1HG       ARG  19   6.690   0.260   0.260
  108   2HG   ARG  19          2HG       ARG  19   5.958  -0.359  -0.359
  109   1HD   ARG  19          2HD       ARG  19   7.191  -2.088  -2.088
  110   2HD   ARG  19          1HD       ARG  19   5.465  -2.468  -2.468
  111    HE   ARG  19           HE       ARG  19   6.584  -1.068  -1.068
  112   1HH1  ARG  19          2HH1      ARG  19   5.496  -4.161  -4.161
  113   2HH1  ARG  19          1HH1      ARG  19   5.814  -5.046  -5.046
  114   1HH2  ARG  19          2HH2      ARG  19   6.747  -2.193  -2.193
  115   2HH2  ARG  19          1HH2      ARG  19   6.515  -3.928  -3.928
  116    HA   HYP  20           HA       PRO  20   5.257   4.580   4.580
  117   1HB   HYP  20          1HB       PRO  20   4.038   4.519   4.519
  118   2HB   HYP  20          2HB       PRO  20   4.018   2.752   2.752
  119   1HD   HYP  20          1HD       PRO  20   2.529   3.422   3.422
  120   2HD   HYP  20          2HD       PRO  20   2.524   1.909   1.909
  121    HOD  HYP  20           HOG      PRO  20   2.191   5.586   5.586
  122    HG   HYP  20           HG       PRO  20   1.812   3.309   3.309
  123    H    SER  21           H        SER  21   6.985   4.674   4.674
  124    HA   SER  21           HA       SER  21   9.027   2.984   2.984
  125   1HB   SER  21          1HB       SER  21  10.304   4.231   4.231
  126   2HB   SER  21          2HB       SER  21   9.456   5.204   5.204
  127    HG   SER  21           HG       SER  21   9.134   6.012   6.012
  128    H    TYR  22           H        TYR  22   7.068   2.774   2.774
  129    HA   TYR  22           HA       TYR  22   8.896   1.383   1.383
  130   1HB   TYR  22          2HB       TYR  22   6.312   0.341   0.341
  131   2HB   TYR  22          1HB       TYR  22   7.129   1.515   1.515
  132    HD1  TYR  22           HD1      TYR  22   6.948   4.025   4.025
  133    HD2  TYR  22           HD2      TYR  22   4.181   0.861   0.861
  134    HE1  TYR  22           HE1      TYR  22   5.153   5.697   5.697
  135    HE2  TYR  22           HE2      TYR  22   2.362   2.547   2.547
  136    HH   TYR  22           HH       TYR  22   2.932   6.045   6.045
  137    H    CYS  23           H        CYS  23   6.953   0.312   0.312
  138    HA   CYS  23           HA       CYS  23   8.056  -2.501  -2.501
  139   1HB   CYS  23          1HB       CYS  23   5.612  -2.534  -2.534
  140   2HB   CYS  23          2HB       CYS  23   5.686  -1.569  -1.569
  141    H    GLY  24           H        GLY  24   9.628  -0.475  -0.475
  142   1HA   GLY  24          1HA       GLY  24  10.617  -1.251  -1.251
  143   2HA   GLY  24          2HA       GLY  24  10.099   0.437   0.437
  144    H    GLN  25           H        GLN  25  11.981  -2.006  -2.006
  145    HA   GLN  25           HA       GLN  25  14.358  -0.437  -0.437
  146   1HB   GLN  25          2HB       GLN  25  14.223  -0.560  -0.560
  147   2HB   GLN  25          1HB       GLN  25  13.568   0.837   0.837
  148   1HG   GLN  25          1HG       GLN  25  11.340  -0.215  -0.215
  149   2HG   GLN  25          2HG       GLN  25  12.052  -1.717  -1.717
  150   1HE2  GLN  25          2HE2      GLN  25  12.463  -0.466  -0.466
  151   2HE2  GLN  25          1HE2      GLN  25  13.013  -1.665  -1.665
  152   1HN   NH2  26          1H1       GLN  25  14.863  -4.016  -4.016
  153   2HN   NH2  26          2H1       GLN  25  14.298  -2.652  -2.652

  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1   0.360   7.691   7.691
    2   2H    GLY   1          2H        GLY   1   0.087   6.915   6.915
    3   3H    GLY   1          3H        GLY   1   1.281   6.392   6.392
    4   1HA   GLY   1          1HA       GLY   1  -0.510   4.901   4.901
    5   2HA   GLY   1          2HA       GLY   1  -1.615   6.278   6.278
    6    H    CYS   2           H        CYS   2  -1.663   4.346   4.346
    7    HA   CYS   2           HA       CYS   2  -1.112   5.892   5.892
    8   1HB   CYS   2          1HB       CYS   2   1.189   4.705   4.705
    9   2HB   CYS   2          2HB       CYS   2   0.425   3.294   3.294
   10    H    CYS   3           H        CYS   3  -1.844   2.256   2.256
   11    HA   CYS   3           HA       CYS   3  -4.315   2.588   2.588
   12   1HB   CYS   3          1HB       CYS   3  -2.998   0.475   0.475
   13   2HB   CYS   3          2HB       CYS   3  -3.448   0.526   0.526
   14    H    GLY   4           H        GLY   4  -3.153   3.305   3.305
   15   1HA   GLY   4          2HA       GLY   4  -5.238   2.769   2.769
   16   2HA   GLY   4          1HA       GLY   4  -4.140   4.152   4.152
   17    H    SER   5           H        SER   5  -6.610   4.335   4.335
   18    HA   SER   5           HA       SER   5  -8.599   5.565   5.565
   19   1HB   SER   5          1HB       SER   5  -7.755   6.995   6.995
   20   2HB   SER   5          2HB       SER   5  -8.918   7.503   7.503
   21    HG   SER   5           HG       SER   5  -6.879   8.511   8.511
   22    H    TYR   6           H        TYR   6  -8.317   2.968   2.968
   23    HA   TYR   6           HA       TYR   6 -10.961   2.950   2.950
   24   1HB   TYR   6          2HB       TYR   6  -8.420   2.201   2.201
   25   2HB   TYR   6          1HB       TYR   6  -9.909   1.349   1.349
   26    HD1  TYR   6           HD1      TYR   6 -11.876   2.585   2.585
   27    HD2  TYR   6           HD2      TYR   6  -8.033   4.472   4.472
   28    HE1  TYR   6           HE1      TYR   6 -12.549   4.393   4.393
   29    HE2  TYR   6           HE2      TYR   6  -8.724   6.297   6.297
   30    HH   TYR   6           HH       TYR   6 -11.937   6.360   6.360
   31    HA   PRO   7           HA       PRO   7 -11.478  -0.656  -0.656
   32   1HB   PRO   7          1HB       PRO   7 -12.086  -2.128  -2.128
   33   2HB   PRO   7          2HB       PRO   7 -12.947  -2.226  -2.226
   34   1HG   PRO   7          1HG       PRO   7 -13.941  -0.651  -0.651
   35   2HG   PRO   7          2HG       PRO   7 -13.933  -0.068  -0.068
   36   1HD   PRO   7          2HD       PRO   7 -12.100   0.651   0.651
   37   2HD   PRO   7          1HD       PRO   7 -12.681   1.656   1.656
   38    H    ASN   8           H        ASN   8  -9.707  -1.469  -1.469
   39    HA   ASN   8           HA       ASN   8  -7.453  -2.514  -2.514
   40   1HB   ASN   8          1HB       ASN   8  -7.720  -1.107  -1.107
   41   2HB   ASN   8          2HB       ASN   8  -7.700  -2.742  -2.742
   42   1HD2  ASN   8          1HD2      ASN   8  -4.350  -3.342  -3.342
   43   2HD2  ASN   8          2HD2      ASN   8  -5.897  -4.169  -4.169
   44    H    ALA   9           H        ALA   9  -9.612  -4.123  -4.123
   45    HA   ALA   9           HA       ALA   9  -9.389  -6.739  -6.739
   46   1HB   ALA   9          3HB       ALA   9  -9.459  -5.747  -5.747
   47   2HB   ALA   9          1HB       ALA   9  -9.785  -7.413  -7.413
   48   3HB   ALA   9          2HB       ALA   9 -10.871  -6.098  -6.098
   49    H    ALA  10           H        ALA  10  -7.440  -5.126  -5.126
   50    HA   ALA  10           HA       ALA  10  -4.908  -6.072  -6.072
   51   1HB   ALA  10          2HB       ALA  10  -5.498  -7.958  -7.958
   52   2HB   ALA  10          3HB       ALA  10  -5.680  -6.823  -6.823
   53   3HB   ALA  10          1HB       ALA  10  -4.086  -7.072  -7.072
   54    H    CYS  11           H        CYS  11  -5.850  -3.590  -3.590
   55    HA   CYS  11           HA       CYS  11  -4.524  -2.022  -2.022
   56   1HB   CYS  11          1HB       CYS  11  -7.151  -2.198  -2.198
   57   2HB   CYS  11          2HB       CYS  11  -6.870  -1.104  -1.104
   58    H    HIS  12           H        HIS  12  -2.944  -2.828  -2.828
   59    HA   HIS  12           HA       HIS  12  -2.429  -0.792  -0.792
   60   1HB   HIS  12          1HB       HIS  12  -2.104  -3.427  -3.427
   61   2HB   HIS  12          2HB       HIS  12  -0.683  -3.035  -3.035
   62    HD2  HIS  12           HD2      HIS  12   1.652  -2.047  -2.047
   63    HE1  HIS  12           HE1      HIS  12  -0.867  -2.356  -2.356
   64    HE2  HIS  12           HE2      HIS  12   1.508  -1.975  -1.975
   65    HA   PRO  13           HA       PRO  13   0.480   1.644   1.644
   66   1HB   PRO  13          1HB       PRO  13   2.213   2.295   2.295
   67   2HB   PRO  13          2HB       PRO  13   0.536   2.715   2.715
   68   1HG   PRO  13          1HG       PRO  13   1.724   0.321   0.321
   69   2HG   PRO  13          2HG       PRO  13   1.101   1.788   1.788
   70   1HD   PRO  13          1HD       PRO  13  -0.528  -0.103  -0.103
   71   2HD   PRO  13          2HD       PRO  13  -1.140   1.386   1.386
   72    H    CYS  14           H        CYS  14   0.551  -1.228  -1.228
   73    HA   CYS  14           HA       CYS  14   3.469  -2.039  -2.039
   74   1HB   CYS  14          1HB       CYS  14   2.912  -2.373  -2.373
   75   2HB   CYS  14          2HB       CYS  14   1.528  -3.462  -3.462
   76    H    SER  15           H        SER  15   0.002  -3.278  -3.278
   77    HA   SER  15           HA       SER  15   0.450  -5.036  -5.036
   78   1HB   SER  15          1HB       SER  15  -1.635  -4.788  -4.788
   79   2HB   SER  15          2HB       SER  15  -1.975  -3.257  -3.257
   80    HG   SER  15           HG       SER  15  -1.902  -4.522  -4.522
   81    H    CYS  16           H        CYS  16   0.412  -1.472  -1.472
   82    HA   CYS  16           HA       CYS  16   0.160  -1.100  -1.100
   83   1HB   CYS  16          1HB       CYS  16   1.776   0.433   0.433
   84   2HB   CYS  16          2HB       CYS  16   1.719   0.867   0.867
   85    H    LYS  17           H        LYS  17   1.883  -0.788  -0.788
   86    HA   LYS  17           HA       LYS  17   3.865  -2.897  -2.897
   87   1HB   LYS  17          2HB       LYS  17   3.095  -0.703  -0.703
   88   2HB   LYS  17          1HB       LYS  17   4.460  -1.794  -1.794
   89   1HG   LYS  17          1HG       LYS  17   2.933  -3.743  -3.743
   90   2HG   LYS  17          2HG       LYS  17   1.566  -2.638  -2.638
   91   1HD   LYS  17          1HD       LYS  17   1.951  -1.597  -1.597
   92   2HD   LYS  17          2HD       LYS  17   3.322  -2.696  -2.696
   93   1HE   LYS  17          2HE       LYS  17   1.801  -4.649  -4.649
   94   2HE   LYS  17          1HE       LYS  17   0.426  -3.549  -3.549
   95   1HZ   LYS  17          1HZ       LYS  17   0.846  -2.630  -2.630
   96   2HZ   LYS  17          3HZ       LYS  17   2.117  -3.654  -3.654
   97   3HZ   LYS  17          2HZ       LYS  17   0.588  -4.254  -4.254
   98    H    ASP  18           H        ASP  18   4.145   0.721   0.721
   99    HA   ASP  18           HA       ASP  18   6.848   0.648   0.648
  100   1HB   ASP  18          2HB       ASP  18   5.333   2.734   2.734
  101   2HB   ASP  18          1HB       ASP  18   6.919   2.947   2.947
  102    HD1  ASP  18           HD2      ASP  18   8.528   0.800   0.800
  103    H    ARG  19           H        ARG  19   5.781   0.112   0.112
  104    HA   ARG  19           HA       ARG  19   3.630   1.793   1.793
  105   1HB   ARG  19          1HB       ARG  19   3.499   0.113   0.113
  106   2HB   ARG  19          2HB       ARG  19   3.853  -0.653  -0.653
  107   1HG   ARG  19          2HG       ARG  19   5.582  -0.391  -0.391
  108   2HG   ARG  19          1HG       ARG  19   5.221  -1.861  -1.861
  109   1HD   ARG  19          1HD       ARG  19   7.017   0.285   0.285
  110   2HD   ARG  19          2HD       ARG  19   7.591  -1.011  -1.011
  111    HE   ARG  19           HE       ARG  19   6.255  -2.157  -2.157
  112   1HH1  ARG  19          2HH1      ARG  19   9.264  -0.541  -0.541
  113   2HH1  ARG  19          1HH1      ARG  19  10.190  -1.263  -1.263
  114   1HH2  ARG  19          2HH2      ARG  19   7.434  -2.957  -2.957
  115   2HH2  ARG  19          1HH2      ARG  19   9.162  -2.708  -2.708
  116    HA   HYP  20           HA       PRO  20   5.827   4.489   4.489
  117   1HB   HYP  20          1HB       PRO  20   4.360   5.036   5.036
  118   2HB   HYP  20          2HB       PRO  20   4.097   3.320   3.320
  119   1HD   HYP  20          1HD       PRO  20   2.798   3.291   3.291
  120   2HD   HYP  20          2HD       PRO  20   2.782   2.078   2.078
  121    HOD  HYP  20           HOG      PRO  20   2.763   6.090   6.090
  122    HG   HYP  20           HG       PRO  20   2.050   3.965   3.965
  123    H    SER  21           H        SER  21   7.843   3.956   3.956
  124    HA   SER  21           HA       SER  21   8.420   1.163   1.163
  125   1HB   SER  21          1HB       SER  21  10.741   1.974   1.974
  126   2HB   SER  21          2HB       SER  21   9.830   2.736   2.736
  127    HG   SER  21           HG       SER  21  10.386   3.846   3.846
  128    H    TYR  22           H        TYR  22   7.170   2.818   2.818
  129    HA   TYR  22           HA       TYR  22   8.729   1.608   1.608
  130   1HB   TYR  22          2HB       TYR  22   6.035   1.349   1.349
  131   2HB   TYR  22          1HB       TYR  22   7.088   2.646   2.646
  132    HD1  TYR  22           HD2      TYR  22   7.246   4.729   4.729
  133    HD2  TYR  22           HD1      TYR  22   3.989   1.909   1.909
  134    HE1  TYR  22           HE2      TYR  22   5.660   6.498   6.498
  135    HE2  TYR  22           HE1      TYR  22   2.394   3.720   3.720
  136    HH   TYR  22           HH       TYR  22   3.458   7.067   7.067
  137    H    CYS  23           H        CYS  23   6.378   0.309   0.309
  138    HA   CYS  23           HA       CYS  23   6.919  -2.432  -2.432
  139   1HB   CYS  23          1HB       CYS  23   4.479  -1.856  -1.856
  140   2HB   CYS  23          2HB       CYS  23   5.062  -1.735  -1.735
  141    H    GLY  24           H        GLY  24   9.002  -1.493  -1.493
  142   1HA   GLY  24          1HA       GLY  24  10.089  -3.127  -3.127
  143   2HA   GLY  24          2HA       GLY  24   9.841  -1.492  -1.492
  144    H    GLN  25           H        GLN  25  11.157  -3.112  -3.112
  145    HA   GLN  25           HA       GLN  25  13.374  -1.126  -1.126
  146   1HB   GLN  25          2HB       GLN  25  12.215  -2.483  -2.483
  147   2HB   GLN  25          1HB       GLN  25  13.078  -0.949  -0.949
  148   1HG   GLN  25          1HG       GLN  25  11.072  -0.053  -0.053
  149   2HG   GLN  25          2HG       GLN  25  10.248  -1.566  -1.566
  150   1HE2  GLN  25          2HE2      GLN  25  10.721   1.452   1.452
  151   2HE2  GLN  25          1HE2      GLN  25  11.356   1.567   1.567
  152   1HN   NH2  26          1H1       GLN  25  13.864  -5.145  -5.145
  153   2HN   NH2  26          2H1       GLN  25  12.319  -4.363  -4.363

  Start of MODEL    8
    1   1H    GLY   1          2H        GLY   1  -0.792   7.673   7.673
    2   2H    GLY   1          3H        GLY   1  -2.364   7.861   7.861
    3   3H    GLY   1          1H        GLY   1  -1.189   8.764   8.764
    4   1HA   GLY   1          1HA       GLY   1  -0.222   6.825   6.825
    5   2HA   GLY   1          2HA       GLY   1  -1.942   6.997   6.997
    6    H    CYS   2           H        CYS   2  -1.932   4.702   4.702
    7    HA   CYS   2           HA       CYS   2  -2.722   3.091   3.091
    8   1HB   CYS   2          1HB       CYS   2  -0.107   2.675   2.675
    9   2HB   CYS   2          2HB       CYS   2  -0.449   2.292   2.292
   10    H    CYS   3           H        CYS   3  -2.090   2.563   2.563
   11    HA   CYS   3           HA       CYS   3  -5.011   2.064   2.064
   12   1HB   CYS   3          2HB       CYS   3  -2.714   0.746   0.746
   13   2HB   CYS   3          1HB       CYS   3  -3.814   1.421   1.421
   14    H    GLY   4           H        GLY   4  -3.638   4.505   4.505
   15   1HA   GLY   4          2HA       GLY   4  -3.898   6.359   6.359
   16   2HA   GLY   4          1HA       GLY   4  -3.977   6.708   6.708
   17    H    SER   5           H        SER   5  -6.001   7.341   7.341
   18    HA   SER   5           HA       SER   5  -8.300   7.223   7.223
   19   1HB   SER   5          1HB       SER   5  -7.981   8.491   8.491
   20   2HB   SER   5          2HB       SER   5  -9.280   8.794   8.794
   21    HG   SER   5           HG       SER   5  -7.655  10.376  10.376
   22    H    TYR   6           H        TYR   6  -7.519   4.606   4.606
   23    HA   TYR   6           HA       TYR   6  -9.863   3.957   3.957
   24   1HB   TYR   6          2HB       TYR   6  -7.023   2.896   2.896
   25   2HB   TYR   6          1HB       TYR   6  -8.370   2.326   2.326
   26    HD1  TYR   6           HD2      TYR   6  -9.690   4.214   4.214
   27    HD2  TYR   6           HD1      TYR   6  -5.632   4.586   4.586
   28    HE1  TYR   6           HE2      TYR   6  -9.301   6.067   6.067
   29    HE2  TYR   6           HE1      TYR   6  -5.229   6.397   6.397
   30    HH   TYR   6           HH       TYR   6  -6.134   7.716   7.716
   31    HA   PRO   7           HA       PRO   7 -10.789   0.640   0.640
   32   1HB   PRO   7          1HB       PRO   7 -10.957  -1.061  -1.061
   33   2HB   PRO   7          2HB       PRO   7 -12.116  -0.964  -0.964
   34   1HG   PRO   7          1HG       PRO   7 -12.651   0.321   0.321
   35   2HG   PRO   7          2HG       PRO   7 -13.014   1.094   1.094
   36   1HD   PRO   7          2HD       PRO   7 -10.686   1.567   1.567
   37   2HD   PRO   7          1HD       PRO   7 -11.597   2.723   2.723
   38    H    ASN   8           H        ASN   8 -10.230  -1.658  -1.658
   39    HA   ASN   8           HA       ASN   8  -7.313  -1.994  -1.994
   40   1HB   ASN   8          1HB       ASN   8  -8.979  -1.491  -1.491
   41   2HB   ASN   8          2HB       ASN   8  -8.971  -3.273  -3.273
   42   1HD2  ASN   8          1HD2      ASN   8  -5.199  -3.167  -3.167
   43   2HD2  ASN   8          2HD2      ASN   8  -6.468  -3.972  -3.972
   44    H    ALA   9           H        ALA   9 -10.255  -3.449  -3.449
   45    HA   ALA   9           HA       ALA   9 -10.294  -5.997  -5.997
   46   1HB   ALA   9          3HB       ALA   9 -11.023  -4.982  -4.982
   47   2HB   ALA   9          1HB       ALA   9 -11.630  -6.478  -6.478
   48   3HB   ALA   9          2HB       ALA   9 -12.062  -4.905  -4.905
   49    H    ALA  10           H        ALA  10  -8.691  -4.922  -4.922
   50    HA   ALA  10           HA       ALA  10  -6.787  -7.236  -7.236
   51   1HB   ALA  10          3HB       ALA  10  -8.209  -6.161  -6.161
   52   2HB   ALA  10          1HB       ALA  10  -6.924  -7.394  -7.394
   53   3HB   ALA  10          2HB       ALA  10  -8.496  -7.737  -7.737
   54    H    CYS  11           H        CYS  11  -6.130  -5.071  -5.071
   55    HA   CYS  11           HA       CYS  11  -4.315  -3.439  -3.439
   56   1HB   CYS  11          1HB       CYS  11  -6.446  -2.297  -2.297
   57   2HB   CYS  11          2HB       CYS  11  -6.666  -2.441  -2.441
   58    H    HIS  12           H        HIS  12  -2.463  -3.675  -3.675
   59    HA   HIS  12           HA       HIS  12  -2.169  -2.669  -2.669
   60   1HB   HIS  12          1HB       HIS  12  -1.560  -5.192  -5.192
   61   2HB   HIS  12          2HB       HIS  12  -0.221  -4.457  -4.457
   62    HD2  HIS  12           HD2      HIS  12   2.009  -3.446  -3.446
   63    HE1  HIS  12           HE1      HIS  12  -0.194  -4.934  -4.934
   64    HE2  HIS  12           HE2      HIS  12   2.022  -3.955  -3.955
   65    HA   PRO  13           HA       PRO  13   0.138   0.597   0.597
   66   1HB   PRO  13          1HB       PRO  13   1.859   1.275   1.275
   67   2HB   PRO  13          2HB       PRO  13   0.156   1.313   1.313
   68   1HG   PRO  13          1HG       PRO  13   1.862  -0.979  -0.979
   69   2HG   PRO  13          2HG       PRO  13   1.043   0.199   0.199
   70   1HD   PRO  13          1HD       PRO  13  -0.253  -1.873  -1.873
   71   2HD   PRO  13          2HD       PRO  13  -1.161  -0.447  -0.447
   72    H    CYS  14           H        CYS  14   0.680  -2.090  -2.090
   73    HA   CYS  14           HA       CYS  14   3.694  -2.330  -2.330
   74   1HB   CYS  14          1HB       CYS  14   3.305  -2.967  -2.967
   75   2HB   CYS  14          2HB       CYS  14   2.109  -4.234  -4.234
   76    H    SER  15           H        SER  15   0.520  -4.161  -4.161
   77    HA   SER  15           HA       SER  15   1.216  -5.720  -5.720
   78   1HB   SER  15          1HB       SER  15  -0.893  -5.837  -5.837
   79   2HB   SER  15          2HB       SER  15  -1.427  -4.300  -4.300
   80    HG   SER  15           HG       SER  15  -2.280  -6.109  -6.109
   81    H    CYS  16           H        CYS  16   0.516  -2.226  -2.226
   82    HA   CYS  16           HA       CYS  16   0.163  -1.796  -1.796
   83   1HB   CYS  16          1HB       CYS  16   1.366   0.020   0.020
   84   2HB   CYS  16          2HB       CYS  16   0.901   0.512   0.512
   85    H    LYS  17           H        LYS  17   1.739  -0.914  -0.914
   86    HA   LYS  17           HA       LYS  17   4.083  -2.565  -2.565
   87   1HB   LYS  17          2HB       LYS  17   3.001  -0.351  -0.351
   88   2HB   LYS  17          1HB       LYS  17   4.390  -1.354  -1.354
   89   1HG   LYS  17          1HG       LYS  17   1.559  -2.397  -2.397
   90   2HG   LYS  17          2HG       LYS  17   2.267  -2.061  -2.061
   91   1HD   LYS  17          1HD       LYS  17   4.082  -3.731  -3.731
   92   2HD   LYS  17          2HD       LYS  17   3.200  -4.161  -4.161
   93   1HE   LYS  17          2HE       LYS  17   1.206  -4.751  -4.751
   94   2HE   LYS  17          1HE       LYS  17   2.107  -4.368  -4.368
   95   1HZ   LYS  17          1HZ       LYS  17   2.814  -6.439  -6.439
   96   2HZ   LYS  17          3HZ       LYS  17   2.129  -6.703  -6.703
   97   3HZ   LYS  17          2HZ       LYS  17   3.657  -6.096  -6.096
   98    H    ASP  18           H        ASP  18   3.622   1.002   1.002
   99    HA   ASP  18           HA       ASP  18   6.354   1.297   1.297
  100   1HB   ASP  18          2HB       ASP  18   6.067   2.500   2.500
  101   2HB   ASP  18          1HB       ASP  18   4.704   3.403   3.403
  102    HD2  ASP  18           HD2      ASP  18   6.738   5.592   5.592
  103    H    ARG  19           H        ARG  19   5.407   0.527   0.527
  104    HA   ARG  19           HA       ARG  19   2.968   1.674   1.674
  105   1HB   ARG  19          1HB       ARG  19   3.202  -0.141  -0.141
  106   2HB   ARG  19          2HB       ARG  19   3.657  -0.683  -0.683
  107   1HG   ARG  19          2HG       ARG  19   5.349  -0.323  -0.323
  108   2HG   ARG  19          1HG       ARG  19   5.276  -1.730  -1.730
  109   1HD   ARG  19          1HD       ARG  19   6.596   0.807   0.807
  110   2HD   ARG  19          2HD       ARG  19   7.426  -0.417  -0.417
  111    HE   ARG  19           HE       ARG  19   6.280  -1.538  -1.538
  112   1HH1  ARG  19          2HH1      ARG  19   9.096   0.150   0.150
  113   2HH1  ARG  19          1HH1      ARG  19  10.147  -0.360  -0.360
  114   1HH2  ARG  19          2HH2      ARG  19   7.607  -2.055  -2.055
  115   2HH2  ARG  19          1HH2      ARG  19   9.313  -1.675  -1.675
  116    HA   HYP  20           HA       PRO  20   4.623   4.480   4.480
  117   1HB   HYP  20          1HB       PRO  20   3.171   4.486   4.486
  118   2HB   HYP  20          2HB       PRO  20   3.316   2.729   2.729
  119   1HD   HYP  20          1HD       PRO  20   1.917   3.086   3.086
  120   2HD   HYP  20          2HD       PRO  20   2.034   1.613   1.613
  121    HOD  HYP  20           HOG      PRO  20   0.650   4.599   4.599
  122    HG   HYP  20           HG       PRO  20   1.154   2.905   2.905
  123    H    SER  21           H        SER  21   6.747   4.285   4.285
  124    HA   SER  21           HA       SER  21   7.854   1.659   1.659
  125   1HB   SER  21          1HB       SER  21   9.991   2.889   2.889
  126   2HB   SER  21          2HB       SER  21   8.846   3.534   3.534
  127    HG   SER  21           HG       SER  21   9.842   5.177   5.177
  128    H    TYR  22           H        TYR  22   6.496   2.787   2.787
  129    HA   TYR  22           HA       TYR  22   8.377   1.831   1.831
  130   1HB   TYR  22          2HB       TYR  22   5.862   0.853   0.853
  131   2HB   TYR  22          1HB       TYR  22   6.623   2.286   2.286
  132    HD1  TYR  22           HD1      TYR  22   6.275   4.487   4.487
  133    HD2  TYR  22           HD2      TYR  22   3.659   1.062   1.062
  134    HE1  TYR  22           HE1      TYR  22   4.320   5.950   5.950
  135    HE2  TYR  22           HE2      TYR  22   1.700   2.555   2.555
  136    HH   TYR  22           HH       TYR  22   0.960   4.703   4.703
  137    H    CYS  23           H        CYS  23   6.223   0.189   0.189
  138    HA   CYS  23           HA       CYS  23   7.369  -2.449  -2.449
  139   1HB   CYS  23          1HB       CYS  23   4.826  -2.296  -2.296
  140   2HB   CYS  23          2HB       CYS  23   5.296  -1.954  -1.954
  141    H    GLY  24           H        GLY  24   9.192  -1.009  -1.009
  142   1HA   GLY  24          1HA       GLY  24  10.455  -2.225  -2.225
  143   2HA   GLY  24          2HA       GLY  24   9.675  -0.741  -0.741
  144    H    GLN  25           H        GLN  25  11.520  -1.717  -1.717
  145    HA   GLN  25           HA       GLN  25  13.554   0.345   0.345
  146   1HB   GLN  25          1HB       GLN  25  13.142   1.362   1.362
  147   2HB   GLN  25          2HB       GLN  25  11.443   1.016   1.016
  148   1HG   GLN  25          1HG       GLN  25  11.572  -1.196  -1.196
  149   2HG   GLN  25          2HG       GLN  25  13.179  -0.801  -0.801
  150   1HE2  GLN  25          2HE2      GLN  25   9.843   0.948   0.948
  151   2HE2  GLN  25          1HE2      GLN  25   9.724   0.050   0.050
  152   1HN   NH2  26          1H1       GLN  25  14.644  -3.207  -3.207
  153   2HN   NH2  26          2H1       GLN  25  13.142  -2.814  -2.814

  Start of MODEL    9
    1   1H    GLY   1          3H        GLY   1  -1.254   8.984   8.984
    2   2H    GLY   1          1H        GLY   1  -2.412   8.136   8.136
    3   3H    GLY   1          2H        GLY   1  -1.223   8.913   8.913
    4   1HA   GLY   1          1HA       GLY   1   0.454   7.482   7.482
    5   2HA   GLY   1          2HA       GLY   1  -0.811   6.565   6.565
    6    H    CYS   2           H        CYS   2  -1.433   4.807   4.807
    7    HA   CYS   2           HA       CYS   2  -2.217   5.046   5.046
    8   1HB   CYS   2          1HB       CYS   2   0.341   4.181   4.181
    9   2HB   CYS   2          2HB       CYS   2  -0.317   2.873   2.873
   10    H    CYS   3           H        CYS   3  -1.980   2.418   2.418
   11    HA   CYS   3           HA       CYS   3  -4.512   1.466   1.466
   12   1HB   CYS   3          2HB       CYS   3  -2.610   0.538   0.538
   13   2HB   CYS   3          1HB       CYS   3  -3.659   1.322   1.322
   14    H    GLY   4           H        GLY   4  -3.462   4.441   4.441
   15   1HA   GLY   4          2HA       GLY   4  -5.947   5.041   5.041
   16   2HA   GLY   4          1HA       GLY   4  -4.674   6.206   6.206
   17    H    SER   5           H        SER   5  -7.473   6.644   6.644
   18    HA   SER   5           HA       SER   5  -9.051   7.228   7.228
   19   1HB   SER   5          1HB       SER   5  -7.062   8.841   8.841
   20   2HB   SER   5          2HB       SER   5  -6.604   7.868   7.868
   21    HG   SER   5           HG       SER   5  -7.949   9.608   9.608
   22    H    TYR   6           H        TYR   6  -8.243   4.370   4.370
   23    HA   TYR   6           HA       TYR   6  -9.332   3.627   3.627
   24   1HB   TYR   6          2HB       TYR   6  -6.447   3.203   3.203
   25   2HB   TYR   6          1HB       TYR   6  -7.213   1.958   1.958
   26    HD1  TYR   6           HD2      TYR   6  -8.527   2.809   2.809
   27    HD2  TYR   6           HD1      TYR   6  -5.358   4.988   4.988
   28    HE1  TYR   6           HE2      TYR   6  -8.121   4.090   4.090
   29    HE2  TYR   6           HE1      TYR   6  -4.955   6.260   6.260
   30    HH   TYR   6           HH       TYR   6  -6.878   5.736   5.736
   31    HA   PRO   7           HA       PRO   7 -10.885   0.179   0.179
   32   1HB   PRO   7          2HB       PRO   7  -9.715  -1.649  -1.649
   33   2HB   PRO   7          1HB       PRO   7 -11.316  -1.677  -1.677
   34   1HG   PRO   7          1HG       PRO   7 -10.943  -0.570  -0.570
   35   2HG   PRO   7          2HG       PRO   7 -12.071   0.158   0.158
   36   1HD   PRO   7          2HD       PRO   7  -9.243   0.986   0.986
   37   2HD   PRO   7          1HD       PRO   7 -10.656   1.998   1.998
   38    H    ASN   8           H        ASN   8 -10.256  -1.572  -1.572
   39    HA   ASN   8           HA       ASN   8  -7.358  -1.741  -1.741
   40   1HB   ASN   8          1HB       ASN   8  -9.190  -0.458  -0.458
   41   2HB   ASN   8          2HB       ASN   8  -9.309  -2.092  -2.092
   42   1HD2  ASN   8          1HD2      ASN   8  -5.497  -1.921  -1.921
   43   2HD2  ASN   8          2HD2      ASN   8  -6.596  -2.969  -2.969
   44    H    ALA   9           H        ALA   9 -10.393  -3.611  -3.611
   45    HA   ALA   9           HA       ALA   9  -9.751  -5.740  -5.740
   46   1HB   ALA   9          2HB       ALA   9 -12.005  -5.244  -5.244
   47   2HB   ALA   9          3HB       ALA   9 -11.415  -5.737  -5.737
   48   3HB   ALA   9          1HB       ALA   9 -11.541  -6.931  -6.931
   49    H    ALA  10           H        ALA  10  -8.713  -5.196  -5.196
   50    HA   ALA  10           HA       ALA  10  -6.996  -7.657  -7.657
   51   1HB   ALA  10          2HB       ALA  10  -8.907  -8.046  -8.046
   52   2HB   ALA  10          3HB       ALA  10  -8.536  -6.541  -6.541
   53   3HB   ALA  10          1HB       ALA  10  -7.389  -7.901  -7.901
   54    H    CYS  11           H        CYS  11  -6.010  -5.455  -5.455
   55    HA   CYS  11           HA       CYS  11  -4.028  -4.270  -4.270
   56   1HB   CYS  11          1HB       CYS  11  -5.994  -3.024  -3.024
   57   2HB   CYS  11          2HB       CYS  11  -6.501  -2.807  -2.807
   58    H    HIS  12           H        HIS  12  -2.500  -3.232  -3.232
   59    HA   HIS  12           HA       HIS  12  -2.432  -2.357  -2.357
   60   1HB   HIS  12          1HB       HIS  12  -1.767  -4.953  -4.953
   61   2HB   HIS  12          2HB       HIS  12  -0.314  -4.233  -4.233
   62    HD2  HIS  12           HD2      HIS  12  -1.992  -3.770  -3.770
   63    HE1  HIS  12           HE1      HIS  12   2.214  -3.883  -3.883
   64    HE2  HIS  12           HE2      HIS  12   0.071  -3.698  -3.698
   65    HA   PRO  13           HA       PRO  13   0.201   0.704   0.704
   66   1HB   PRO  13          1HB       PRO  13   1.858   1.392   1.392
   67   2HB   PRO  13          2HB       PRO  13   0.136   1.515   1.515
   68   1HG   PRO  13          1HG       PRO  13   1.687  -0.812  -0.812
   69   2HG   PRO  13          2HG       PRO  13   0.858   0.443   0.443
   70   1HD   PRO  13          1HD       PRO  13  -0.459  -1.594  -1.594
   71   2HD   PRO  13          2HD       PRO  13  -1.315  -0.171  -0.171
   72    H    CYS  14           H        CYS  14   0.696  -2.064  -2.064
   73    HA   CYS  14           HA       CYS  14   3.700  -2.426  -2.426
   74   1HB   CYS  14          1HB       CYS  14   3.476  -2.889  -2.889
   75   2HB   CYS  14          2HB       CYS  14   2.030  -3.997  -3.997
   76    H    SER  15           H        SER  15   0.531  -4.230  -4.230
   77    HA   SER  15           HA       SER  15   0.907  -5.698  -5.698
   78   1HB   SER  15          1HB       SER  15  -0.935  -5.954  -5.954
   79   2HB   SER  15          2HB       SER  15  -1.641  -4.423  -4.423
   80    HG   SER  15           HG       SER  15  -2.564  -6.283  -6.283
   81    H    CYS  16           H        CYS  16   0.242  -2.213  -2.213
   82    HA   CYS  16           HA       CYS  16  -0.588  -1.562  -1.562
   83   1HB   CYS  16          1HB       CYS  16   1.238  -0.074  -0.074
   84   2HB   CYS  16          2HB       CYS  16   0.778   0.563   0.563
   85    H    LYS  17           H        LYS  17   0.659  -0.782  -0.782
   86    HA   LYS  17           HA       LYS  17   2.744  -2.607  -2.607
   87   1HB   LYS  17          2HB       LYS  17   1.410  -0.216  -0.216
   88   2HB   LYS  17          1HB       LYS  17   2.691  -1.146  -1.146
   89   1HG   LYS  17          1HG       LYS  17   1.323  -3.209  -3.209
   90   2HG   LYS  17          2HG       LYS  17   0.034  -2.257  -2.257
   91   1HD   LYS  17          1HD       LYS  17  -0.159  -0.860  -0.860
   92   2HD   LYS  17          2HD       LYS  17   1.124  -1.820  -1.820
   93   1HE   LYS  17          2HE       LYS  17  -0.271  -3.863  -3.863
   94   2HE   LYS  17          1HE       LYS  17  -1.562  -2.894  -2.894
   95   1HZ   LYS  17          1HZ       LYS  17  -1.682  -1.631  -1.631
   96   2HZ   LYS  17          3HZ       LYS  17  -0.489  -2.540  -2.540
   97   3HZ   LYS  17          2HZ       LYS  17  -1.934  -3.232  -3.232
   98    H    ASP  18           H        ASP  18   2.667   0.974   0.974
   99    HA   ASP  18           HA       ASP  18   5.598   0.961   0.961
  100   1HB   ASP  18          2HB       ASP  18   5.047   2.257   2.257
  101   2HB   ASP  18          1HB       ASP  18   3.908   3.254   3.254
  102    HD2  ASP  18           HD2      ASP  18   6.375   5.256   5.256
  103    H    ARG  19           H        ARG  19   5.059   0.270   0.270
  104    HA   ARG  19           HA       ARG  19   2.855   1.480   1.480
  105   1HB   ARG  19          1HB       ARG  19   3.314  -0.277  -0.277
  106   2HB   ARG  19          2HB       ARG  19   3.476  -0.893  -0.893
  107   1HG   ARG  19          2HG       ARG  19   5.559  -0.556  -0.556
  108   2HG   ARG  19          1HG       ARG  19   5.208  -1.984  -1.984
  109   1HD   ARG  19          1HD       ARG  19   6.506   0.491   0.491
  110   2HD   ARG  19          2HD       ARG  19   7.420  -0.834  -0.834
  111    HE   ARG  19           HE       ARG  19   5.894  -2.011  -2.011
  112   1HH1  ARG  19          2HH1      ARG  19   8.552   0.310   0.310
  113   2HH1  ARG  19          1HH1      ARG  19   9.213  -0.013  -0.013
  114   1HH2  ARG  19          2HH2      ARG  19   6.676  -2.288  -2.288
  115   2HH2  ARG  19          1HH2      ARG  19   8.194  -1.566  -1.566
  116    HA   HYP  20           HA       PRO  20   4.833   4.293   4.293
  117   1HB   HYP  20          1HB       PRO  20   3.641   4.172   4.172
  118   2HB   HYP  20          2HB       PRO  20   3.694   2.392   2.392
  119   1HD   HYP  20          1HD       PRO  20   2.004   2.924   2.924
  120   2HD   HYP  20          2HD       PRO  20   2.167   1.514   1.514
  121    HOD  HYP  20           HOG      PRO  20   1.865   5.270   5.270
  122    HG   HYP  20           HG       PRO  20   1.408   3.009   3.009
  123    H    SER  21           H        SER  21   6.908   4.278   4.278
  124    HA   SER  21           HA       SER  21   8.332   2.002   2.002
  125   1HB   SER  21          1HB       SER  21  10.285   3.286   3.286
  126   2HB   SER  21          2HB       SER  21   9.245   4.097   4.097
  127    HG   SER  21           HG       SER  21   9.223   4.489   4.489
  128    H    TYR  22           H        TYR  22   6.897   2.560   2.560
  129    HA   TYR  22           HA       TYR  22   8.878   1.532   1.532
  130   1HB   TYR  22          2HB       TYR  22   6.381   0.549   0.549
  131   2HB   TYR  22          1HB       TYR  22   7.217   1.945   1.945
  132    HD1  TYR  22           HD1      TYR  22   6.810   4.207   4.207
  133    HD2  TYR  22           HD2      TYR  22   4.160   0.807   0.807
  134    HE1  TYR  22           HE1      TYR  22   4.856   5.713   5.713
  135    HE2  TYR  22           HE2      TYR  22   2.215   2.336   2.336
  136    HH   TYR  22           HH       TYR  22   1.490   4.500   4.500
  137    H    CYS  23           H        CYS  23   6.774  -0.068  -0.068
  138    HA   CYS  23           HA       CYS  23   7.507  -2.773  -2.773
  139   1HB   CYS  23          1HB       CYS  23   5.332  -2.864  -2.864
  140   2HB   CYS  23          2HB       CYS  23   5.522  -1.852  -1.852
  141    H    GLY  24           H        GLY  24   9.376  -0.753  -0.753
  142   1HA   GLY  24          1HA       GLY  24  10.953  -2.731  -2.731
  143   2HA   GLY  24          2HA       GLY  24  10.587  -1.181  -1.181
  144    H    GLN  25           H        GLN  25  11.206  -1.940  -1.940
  145    HA   GLN  25           HA       GLN  25  13.899  -0.793  -0.793
  146   1HB   GLN  25          2HB       GLN  25  11.530   0.454   0.454
  147   2HB   GLN  25          1HB       GLN  25  13.233   0.654   0.654
  148   1HG   GLN  25          1HG       GLN  25  11.979   1.503   1.503
  149   2HG   GLN  25          2HG       GLN  25  12.320   2.562   2.562
  150   1HE2  GLN  25          2HE2      GLN  25  15.974   2.272   2.272
  151   2HE2  GLN  25          1HE2      GLN  25  14.807   2.052   2.052
  152   1HN   NH2  26          1H1       GLN  25  12.170  -3.006  -3.006
  153   2HN   NH2  26          2H1       GLN  25  11.195  -1.813  -1.813

  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   1.351   8.495   8.495
    2   2H    GLY   1          2H        GLY   1  -0.165   9.107   9.107
    3   3H    GLY   1          3H        GLY   1   0.435   8.772   8.772
    4   1HA   GLY   1          1HA       GLY   1   0.493   6.426   6.426
    5   2HA   GLY   1          2HA       GLY   1  -1.139   7.114   7.114
    6    H    CYS   2           H        CYS   2  -1.301   5.037   5.037
    7    HA   CYS   2           HA       CYS   2  -1.314   5.826   5.826
    8   1HB   CYS   2          1HB       CYS   2   1.101   4.795   4.795
    9   2HB   CYS   2          2HB       CYS   2   0.444   3.519   3.519
   10    H    CYS   3           H        CYS   3  -1.642   2.541   2.541
   11    HA   CYS   3           HA       CYS   3  -4.334   2.452   2.452
   12   1HB   CYS   3          2HB       CYS   3  -2.357   0.581   0.581
   13   2HB   CYS   3          1HB       CYS   3  -3.392   0.451   0.451
   14    H    GLY   4           H        GLY   4  -2.989   4.327   4.327
   15   1HA   GLY   4          1HA       GLY   4  -4.536   3.785   3.785
   16   2HA   GLY   4          2HA       GLY   4  -3.791   5.345   5.345
   17    H    SER   5           H        SER   5  -6.444   4.817   4.817
   18    HA   SER   5           HA       SER   5  -8.665   5.540   5.540
   19   1HB   SER   5          1HB       SER   5  -7.430   7.666   7.666
   20   2HB   SER   5          2HB       SER   5  -7.709   7.242   7.242
   21    HG   SER   5           HG       SER   5  -9.941   7.148   7.148
   22    H    TYR   6           H        TYR   6  -7.750   3.130   3.130
   23    HA   TYR   6           HA       TYR   6 -10.216   2.822   2.822
   24   1HB   TYR   6          2HB       TYR   6  -7.471   2.082   2.082
   25   2HB   TYR   6          1HB       TYR   6  -8.993   1.615   1.615
   26    HD1  TYR   6           HD2      TYR   6 -10.664   3.617   3.617
   27    HD2  TYR   6           HD1      TYR   6  -6.385   3.970   3.970
   28    HE1  TYR   6           HE2      TYR   6 -10.724   5.768   5.768
   29    HE2  TYR   6           HE1      TYR   6  -6.449   6.121   6.121
   30    HH   TYR   6           HH       TYR   6  -7.772   7.697   7.697
   31    HA   PRO   7           HA       PRO   7 -10.271  -0.063  -0.063
   32   1HB   PRO   7          2HB       PRO   7 -12.014  -2.002  -2.002
   33   2HB   PRO   7          1HB       PRO   7 -12.351  -1.037  -1.037
   34   1HG   PRO   7          1HG       PRO   7 -13.416  -0.268  -0.268
   35   2HG   PRO   7          2HG       PRO   7 -12.784   0.933   0.933
   36   1HD   PRO   7          1HD       PRO   7 -11.357  -0.488  -0.488
   37   2HD   PRO   7          2HD       PRO   7 -11.543   1.272   1.272
   38    H    ASN   8           H        ASN   8  -8.969  -1.508  -1.508
   39    HA   ASN   8           HA       ASN   8  -7.049  -2.896  -2.896
   40   1HB   ASN   8          1HB       ASN   8  -6.971  -1.557  -1.557
   41   2HB   ASN   8          2HB       ASN   8  -7.129  -3.209  -3.209
   42   1HD2  ASN   8          1HD2      ASN   8  -4.099  -4.051  -4.051
   43   2HD2  ASN   8          2HD2      ASN   8  -5.699  -4.709  -4.709
   44    H    ALA   9           H        ALA   9  -9.490  -4.181  -4.181
   45    HA   ALA   9           HA       ALA   9  -9.545  -6.831  -6.831
   46   1HB   ALA   9          3HB       ALA   9  -9.823  -5.778  -5.778
   47   2HB   ALA   9          1HB       ALA   9 -10.301  -7.398  -7.398
   48   3HB   ALA   9          2HB       ALA   9 -11.134  -5.963  -5.963
   49    H    ALA  10           H        ALA  10  -7.701  -5.489  -5.489
   50    HA   ALA  10           HA       ALA  10  -5.197  -6.782  -6.782
   51   1HB   ALA  10          3HB       ALA  10  -6.425  -7.350  -7.350
   52   2HB   ALA  10          1HB       ALA  10  -4.789  -7.813  -7.813
   53   3HB   ALA  10          2HB       ALA  10  -6.206  -8.532  -8.532
   54    H    CYS  11           H        CYS  11  -5.677  -4.239  -4.239
   55    HA   CYS  11           HA       CYS  11  -4.359  -2.747  -2.747
   56   1HB   CYS  11          1HB       CYS  11  -6.954  -2.792  -2.792
   57   2HB   CYS  11          2HB       CYS  11  -6.883  -1.898  -1.898
   58    H    HIS  12           H        HIS  12  -2.797  -3.304  -3.304
   59    HA   HIS  12           HA       HIS  12  -2.549  -1.142  -1.142
   60   1HB   HIS  12          1HB       HIS  12  -1.959  -3.797  -3.797
   61   2HB   HIS  12          2HB       HIS  12  -0.506  -3.247  -3.247
   62    HD2  HIS  12           HD2      HIS  12  -2.063  -1.986  -1.986
   63    HE1  HIS  12           HE1      HIS  12   2.140  -2.236  -2.236
   64    HE2  HIS  12           HE2      HIS  12   0.048  -1.696  -1.696
   65    HA   PRO  13           HA       PRO  13   0.350   1.318   1.318
   66   1HB   PRO  13          1HB       PRO  13   1.971   2.139   2.139
   67   2HB   PRO  13          2HB       PRO  13   0.260   2.497   2.497
   68   1HG   PRO  13          1HG       PRO  13   1.506   0.217   0.217
   69   2HG   PRO  13          2HG       PRO  13   0.788   1.692   1.692
   70   1HD   PRO  13          1HD       PRO  13  -0.738  -0.261  -0.261
   71   2HD   PRO  13          2HD       PRO  13  -1.392   1.125   1.125
   72    H    CYS  14           H        CYS  14   0.600  -1.552  -1.552
   73    HA   CYS  14           HA       CYS  14   3.533  -2.290  -2.290
   74   1HB   CYS  14          1HB       CYS  14   2.795  -2.515  -2.515
   75   2HB   CYS  14          2HB       CYS  14   1.516  -3.690  -3.690
   76    H    SER  15           H        SER  15   0.150  -3.670  -3.670
   77    HA   SER  15           HA       SER  15   0.603  -5.314  -5.314
   78   1HB   SER  15          1HB       SER  15  -1.460  -5.242  -5.242
   79   2HB   SER  15          2HB       SER  15  -1.880  -3.673  -3.673
   80    HG   SER  15           HG       SER  15  -1.822  -4.788  -4.788
   81    H    CYS  16           H        CYS  16   0.484  -1.772  -1.772
   82    HA   CYS  16           HA       CYS  16   0.021  -1.188  -1.188
   83   1HB   CYS  16          1HB       CYS  16   1.770   0.202   0.202
   84   2HB   CYS  16          2HB       CYS  16   1.588   0.770   0.770
   85    H    LYS  17           H        LYS  17   1.539  -0.794  -0.794
   86    HA   LYS  17           HA       LYS  17   3.457  -2.921  -2.921
   87   1HB   LYS  17          2HB       LYS  17   2.526  -0.575  -0.575
   88   2HB   LYS  17          1HB       LYS  17   3.757  -1.717  -1.717
   89   1HG   LYS  17          1HG       LYS  17   2.187  -3.593  -3.593
   90   2HG   LYS  17          2HG       LYS  17   0.943  -2.479  -2.479
   91   1HD   LYS  17          1HD       LYS  17   0.884  -1.286  -1.286
   92   2HD   LYS  17          2HD       LYS  17   2.239  -2.252  -2.252
   93   1HE   LYS  17          2HE       LYS  17   0.150  -3.095  -3.095
   94   2HE   LYS  17          1HE       LYS  17   0.884  -4.309  -4.309
   95   1HZ   LYS  17          3HZ       LYS  17  -1.308  -2.478  -2.478
   96   2HZ   LYS  17          2HZ       LYS  17  -1.480  -4.070  -4.070
   97   3HZ   LYS  17          1HZ       LYS  17  -0.663  -3.642  -3.642
   98    H    ASP  18           H        ASP  18   3.683   0.659   0.659
   99    HA   ASP  18           HA       ASP  18   6.510   0.454   0.454
  100   1HB   ASP  18          1HB       ASP  18   6.407   1.621   1.621
  101   2HB   ASP  18          2HB       ASP  18   5.126   2.692   2.692
  102    HD1  ASP  18           HD2      ASP  18   8.854   3.139   3.139
  103    H    ARG  19           H        ARG  19   5.794   0.082   0.082
  104    HA   ARG  19           HA       ARG  19   3.485   1.559   1.559
  105   1HB   ARG  19          1HB       ARG  19   3.539  -0.065  -0.065
  106   2HB   ARG  19          2HB       ARG  19   4.035  -0.912  -0.912
  107   1HG   ARG  19          1HG       ARG  19   6.369   0.024   0.024
  108   2HG   ARG  19          2HG       ARG  19   5.294  -1.152  -1.152
  109   1HD   ARG  19          2HD       ARG  19   7.078  -2.324  -2.324
  110   2HD   ARG  19          1HD       ARG  19   5.651  -2.659  -2.659
  111    HE   ARG  19           HE       ARG  19   7.533  -0.473  -0.473
  112   1HH1  ARG  19          2HH1      ARG  19   6.302  -3.757  -3.757
  113   2HH1  ARG  19          1HH1      ARG  19   7.095  -3.822  -3.822
  114   1HH2  ARG  19          2HH2      ARG  19   8.566  -0.627  -0.627
  115   2HH2  ARG  19          1HH2      ARG  19   8.367  -2.049  -2.049
  116    HA   HYP  20           HA       PRO  20   5.671   4.440   4.440
  117   1HB   HYP  20          1HB       PRO  20   4.138   4.994   4.994
  118   2HB   HYP  20          2HB       PRO  20   3.848   3.280   3.280
  119   1HD   HYP  20          1HD       PRO  20   2.686   3.237   3.237
  120   2HD   HYP  20          2HD       PRO  20   2.642   2.021   2.021
  121    HOD  HYP  20           HOG      PRO  20   2.595   6.034   6.034
  122    HG   HYP  20           HG       PRO  20   1.856   3.898   3.898
  123    H    SER  21           H        SER  21   7.610   3.970   3.970
  124    HA   SER  21           HA       SER  21   8.237   1.174   1.174
  125   1HB   SER  21          1HB       SER  21  10.512   2.046   2.046
  126   2HB   SER  21          2HB       SER  21   9.690   2.709   2.709
  127    HG   SER  21           HG       SER  21  10.772   4.323   4.323
  128    H    TYR  22           H        TYR  22   6.694   2.889   2.889
  129    HA   TYR  22           HA       TYR  22   8.058   1.941   1.941
  130   1HB   TYR  22          2HB       TYR  22   5.343   1.492   1.492
  131   2HB   TYR  22          1HB       TYR  22   6.252   2.856   2.856
  132    HD1  TYR  22           HD1      TYR  22   6.580   4.846   4.846
  133    HD2  TYR  22           HD2      TYR  22   3.353   1.987   1.987
  134    HE1  TYR  22           HE1      TYR  22   5.014   6.579   6.579
  135    HE2  TYR  22           HE2      TYR  22   1.772   3.760   3.760
  136    HH   TYR  22           HH       TYR  22   1.494   5.965   5.965
  137    H    CYS  23           H        CYS  23   6.067   0.332   0.332
  138    HA   CYS  23           HA       CYS  23   6.630  -2.313  -2.313
  139   1HB   CYS  23          1HB       CYS  23   4.201  -1.874  -1.874
  140   2HB   CYS  23          2HB       CYS  23   4.915  -1.797  -1.797
  141    H    GLY  24           H        GLY  24   8.746  -1.319  -1.319
  142   1HA   GLY  24          1HA       GLY  24   9.954  -2.872  -2.872
  143   2HA   GLY  24          2HA       GLY  24   9.640  -1.225  -1.225
  144    H    GLN  25           H        GLN  25  11.041  -2.913  -2.913
  145    HA   GLN  25           HA       GLN  25  13.522  -1.566  -1.566
  146   1HB   GLN  25          2HB       GLN  25  13.037  -0.636  -0.636
  147   2HB   GLN  25          1HB       GLN  25  12.612   0.383   0.383
  148   1HG   GLN  25          1HG       GLN  25  10.290  -0.586  -0.586
  149   2HG   GLN  25          2HG       GLN  25  10.860  -1.649  -1.649
  150   1HE2  GLN  25          2HE2      GLN  25  10.353   2.432   2.432
  151   2HE2  GLN  25          1HE2      GLN  25  10.520   1.776   1.776
  152   1HN   NH2  26          1H1       GLN  25  13.782  -4.967  -4.967
  153   2HN   NH2  26          2H1       GLN  25  13.415  -4.011  -4.011

  Start of MODEL   11
    1   1H    GLY   1          2H        GLY   1  -3.156   7.678   7.678
    2   2H    GLY   1          3H        GLY   1  -3.837   7.222   7.222
    3   3H    GLY   1          1H        GLY   1  -2.980   8.631   8.631
    4   1HA   GLY   1          1HA       GLY   1  -0.955   7.447   7.447
    5   2HA   GLY   1          2HA       GLY   1  -1.713   6.932   6.932
    6    H    CYS   2           H        CYS   2  -2.193   4.824   4.824
    7    HA   CYS   2           HA       CYS   2  -2.842   3.128   3.128
    8   1HB   CYS   2          2HB       CYS   2  -0.342   2.901   2.901
    9   2HB   CYS   2          1HB       CYS   2  -1.073   1.337   1.337
   10    H    CYS   3           H        CYS   3  -2.017   2.697   2.697
   11    HA   CYS   3           HA       CYS   3  -4.894   1.967   1.967
   12   1HB   CYS   3          1HB       CYS   3  -2.490   1.503   1.503
   13   2HB   CYS   3          2HB       CYS   3  -4.162   0.983   0.983
   14    H    GLY   4           H        GLY   4  -3.637   4.607   4.607
   15   1HA   GLY   4          2HA       GLY   4  -5.311   5.899   5.899
   16   2HA   GLY   4          1HA       GLY   4  -3.911   6.770   6.770
   17    H    SER   5           H        SER   5  -6.682   7.548   7.548
   18    HA   SER   5           HA       SER   5  -8.360   8.022   8.022
   19   1HB   SER   5          1HB       SER   5  -5.953   8.213   8.213
   20   2HB   SER   5          2HB       SER   5  -7.512   9.043   9.043
   21    HG   SER   5           HG       SER   5  -5.992  10.417  10.417
   22    H    TYR   6           H        TYR   6  -7.913   5.128   5.128
   23    HA   TYR   6           HA       TYR   6  -9.017   4.099   4.099
   24   1HB   TYR   6          2HB       TYR   6  -6.194   3.690   3.690
   25   2HB   TYR   6          1HB       TYR   6  -6.960   2.325   2.325
   26    HD1  TYR   6           HD2      TYR   6  -8.397   3.288   3.288
   27    HD2  TYR   6           HD1      TYR   6  -4.669   4.724   4.724
   28    HE1  TYR   6           HE2      TYR   6  -7.803   4.233   4.233
   29    HE2  TYR   6           HE1      TYR   6  -4.100   5.713   5.713
   30    HH   TYR   6           HH       TYR   6  -6.245   5.410   5.410
   31    HA   PRO   7           HA       PRO   7 -10.761   1.205   1.205
   32   1HB   PRO   7          2HB       PRO   7 -11.656  -0.758  -0.758
   33   2HB   PRO   7          1HB       PRO   7 -12.057   0.911   0.911
   34   1HG   PRO   7          2HG       PRO   7  -9.648  -0.661  -0.661
   35   2HG   PRO   7          1HG       PRO   7 -10.819  -0.156  -0.156
   36   1HD   PRO   7          2HD       PRO   7  -8.793   1.441   1.441
   37   2HD   PRO   7          1HD       PRO   7 -10.390   2.214   2.214
   38    H    ASN   8           H        ASN   8 -10.675  -1.535  -1.535
   39    HA   ASN   8           HA       ASN   8  -8.026  -2.517  -2.517
   40   1HB   ASN   8          1HB       ASN   8  -9.066  -1.048  -1.048
   41   2HB   ASN   8          2HB       ASN   8  -9.802  -2.627  -2.627
   42   1HD2  ASN   8          1HD2      ASN   8  -6.317  -4.119  -4.119
   43   2HD2  ASN   8          2HD2      ASN   8  -7.911  -4.474  -4.474
   44    H    ALA   9           H        ALA   9 -10.079  -3.216  -3.216
   45    HA   ALA   9           HA       ALA   9 -11.327  -5.658  -5.658
   46   1HB   ALA   9          3HB       ALA   9  -9.866  -4.830  -4.830
   47   2HB   ALA   9          1HB       ALA   9 -11.008  -6.184  -6.184
   48   3HB   ALA   9          2HB       ALA   9 -11.574  -4.519  -4.519
   49    H    ALA  10           H        ALA  10  -8.131  -5.072  -5.072
   50    HA   ALA  10           HA       ALA  10  -6.920  -7.067  -7.067
   51   1HB   ALA  10          2HB       ALA  10  -7.470  -8.444  -8.444
   52   2HB   ALA  10          3HB       ALA  10  -6.588  -7.300  -7.300
   53   3HB   ALA  10          1HB       ALA  10  -5.717  -8.256  -8.256
   54    H    CYS  11           H        CYS  11  -6.811  -4.330  -4.330
   55    HA   CYS  11           HA       CYS  11  -4.384  -3.340  -3.340
   56   1HB   CYS  11          2HB       CYS  11  -6.636  -1.918  -1.918
   57   2HB   CYS  11          1HB       CYS  11  -5.943  -1.890  -1.890
   58    H    HIS  12           H        HIS  12  -2.551  -4.042  -4.042
   59    HA   HIS  12           HA       HIS  12  -1.874  -3.075  -3.075
   60   1HB   HIS  12          1HB       HIS  12  -1.338  -5.607  -5.607
   61   2HB   HIS  12          2HB       HIS  12  -0.013  -4.802  -4.802
   62    HD2  HIS  12           HD2      HIS  12  -0.986  -4.795  -4.795
   63    HE1  HIS  12           HE1      HIS  12   3.168  -4.707  -4.707
   64    HE2  HIS  12           HE2      HIS  12   1.313  -4.764  -4.764
   65    HA   PRO  13           HA       PRO  13   0.072   0.266   0.266
   66   1HB   PRO  13          1HB       PRO  13   1.943   0.985   0.985
   67   2HB   PRO  13          2HB       PRO  13   0.299   0.920   0.920
   68   1HG   PRO  13          1HG       PRO  13   2.205  -1.305  -1.305
   69   2HG   PRO  13          2HG       PRO  13   1.453  -0.207  -0.207
   70   1HD   PRO  13          1HD       PRO  13   0.189  -2.325  -2.325
   71   2HD   PRO  13          2HD       PRO  13  -0.817  -0.932  -0.932
   72    H    CYS  14           H        CYS  14   0.657  -2.314  -2.314
   73    HA   CYS  14           HA       CYS  14   3.657  -2.554  -2.554
   74   1HB   CYS  14          1HB       CYS  14   3.295  -3.264  -3.264
   75   2HB   CYS  14          2HB       CYS  14   2.116  -4.528  -4.528
   76    H    SER  15           H        SER  15   0.478  -4.365  -4.365
   77    HA   SER  15           HA       SER  15   1.092  -5.830  -5.830
   78   1HB   SER  15          1HB       SER  15  -0.948  -6.025  -6.025
   79   2HB   SER  15          2HB       SER  15  -1.551  -4.491  -4.491
   80    HG   SER  15           HG       SER  15  -2.390  -6.334  -6.334
   81    H    CYS  16           H        CYS  16   0.377  -2.384  -2.384
   82    HA   CYS  16           HA       CYS  16  -0.074  -1.649  -1.649
   83   1HB   CYS  16          1HB       CYS  16   1.444  -0.271  -0.271
   84   2HB   CYS  16          2HB       CYS  16   1.359   0.426   0.426
   85    H    LYS  17           H        LYS  17   1.328  -0.773  -0.773
   86    HA   LYS  17           HA       LYS  17   3.721  -2.335  -2.335
   87   1HB   LYS  17          2HB       LYS  17   2.103  -0.218  -0.218
   88   2HB   LYS  17          1HB       LYS  17   3.704  -0.686  -0.686
   89   1HG   LYS  17          1HG       LYS  17   2.050  -1.940  -1.940
   90   2HG   LYS  17          2HG       LYS  17   2.928  -3.048  -3.048
   91   1HD   LYS  17          1HD       LYS  17   1.073  -3.161  -3.161
   92   2HD   LYS  17          2HD       LYS  17   0.248  -1.796  -1.796
   93   1HE   LYS  17          2HE       LYS  17  -0.010  -3.152  -3.152
   94   2HE   LYS  17          1HE       LYS  17   0.833  -4.509  -4.509
   95   1HZ   LYS  17          1HZ       LYS  17  -1.704  -3.305  -3.305
   96   2HZ   LYS  17          3HZ       LYS  17  -1.543  -4.735  -4.735
   97   3HZ   LYS  17          2HZ       LYS  17  -0.941  -4.575  -4.575
   98    H    ASP  18           H        ASP  18   2.948   1.165   1.165
   99    HA   ASP  18           HA       ASP  18   5.684   1.635   1.635
  100   1HB   ASP  18          2HB       ASP  18   5.174   3.004   3.004
  101   2HB   ASP  18          1HB       ASP  18   3.734   3.667   3.667
  102    HD2  ASP  18           HD2      ASP  18   5.878   6.238   6.238
  103    H    ARG  19           H        ARG  19   5.016   0.691   0.691
  104    HA   ARG  19           HA       ARG  19   2.589   1.573   1.573
  105   1HB   ARG  19          1HB       ARG  19   3.156  -0.270  -0.270
  106   2HB   ARG  19          2HB       ARG  19   3.587  -0.796  -0.796
  107   1HG   ARG  19          1HG       ARG  19   5.865   0.302   0.302
  108   2HG   ARG  19          2HG       ARG  19   5.194  -1.244  -1.244
  109   1HD   ARG  19          2HD       ARG  19   7.039  -1.684  -1.684
  110   2HD   ARG  19          1HD       ARG  19   5.685  -1.944  -1.944
  111    HE   ARG  19           HE       ARG  19   6.726   0.780   0.780
  112   1HH1  ARG  19          2HH1      ARG  19   7.424  -2.554  -2.554
  113   2HH1  ARG  19          1HH1      ARG  19   8.359  -2.081  -2.081
  114   1HH2  ARG  19          2HH2      ARG  19   7.955   1.395   1.395
  115   2HH2  ARG  19          1HH2      ARG  19   8.666   0.181   0.181
  116    HA   HYP  20           HA       PRO  20   4.597   4.274   4.274
  117   1HB   HYP  20          1HB       PRO  20   3.234   4.250   4.250
  118   2HB   HYP  20          2HB       PRO  20   3.344   2.485   2.485
  119   1HD   HYP  20          1HD       PRO  20   1.747   3.177   3.177
  120   2HD   HYP  20          2HD       PRO  20   1.785   1.610   1.610
  121    HOD  HYP  20           HOG      PRO  20   0.502   4.514   4.514
  122    HG   HYP  20           HG       PRO  20   1.151   2.675   2.675
  123    H    SER  21           H        SER  21   6.740   3.945   3.945
  124    HA   SER  21           HA       SER  21   7.711   1.244   1.244
  125   1HB   SER  21          1HB       SER  21   9.888   2.352   2.352
  126   2HB   SER  21          2HB       SER  21   8.687   3.129   3.129
  127    HG   SER  21           HG       SER  21   9.565   4.009   4.009
  128    H    TYR  22           H        TYR  22   6.553   2.447   2.447
  129    HA   TYR  22           HA       TYR  22   8.495   1.437   1.437
  130   1HB   TYR  22          2HB       TYR  22   5.991   0.533   0.533
  131   2HB   TYR  22          1HB       TYR  22   6.823   1.951   1.951
  132    HD1  TYR  22           HD2      TYR  22   6.440   4.163   4.163
  133    HD2  TYR  22           HD1      TYR  22   3.787   0.769   0.769
  134    HE1  TYR  22           HE2      TYR  22   4.493   5.664   5.664
  135    HE2  TYR  22           HE1      TYR  22   1.839   2.289   2.289
  136    HH   TYR  22           HH       TYR  22   1.120   4.463   4.463
  137    H    CYS  23           H        CYS  23   6.206  -0.145  -0.145
  138    HA   CYS  23           HA       CYS  23   7.341  -2.814  -2.814
  139   1HB   CYS  23          1HB       CYS  23   4.813  -2.634  -2.634
  140   2HB   CYS  23          2HB       CYS  23   5.286  -2.245  -2.245
  141    H    GLY  24           H        GLY  24   9.170  -1.356  -1.356
  142   1HA   GLY  24          1HA       GLY  24  10.433  -2.707  -2.707
  143   2HA   GLY  24          2HA       GLY  24   9.877  -1.118  -1.118
  144    H    GLN  25           H        GLN  25  10.994  -1.829  -1.829
  145    HA   GLN  25           HA       GLN  25  13.658  -0.722  -0.722
  146   1HB   GLN  25          2HB       GLN  25  11.484   0.729   0.729
  147   2HB   GLN  25          1HB       GLN  25  13.233   0.934   0.934
  148   1HG   GLN  25          1HG       GLN  25  13.551   1.805   1.805
  149   2HG   GLN  25          2HG       GLN  25  11.842   1.545   1.545
  150   1HE2  GLN  25          2HE2      GLN  25  10.561   4.227   4.227
  151   2HE2  GLN  25          1HE2      GLN  25  10.197   2.606   2.606
  152   1HN   NH2  26          1H1       GLN  25  13.465  -3.703  -3.703
  153   2HN   NH2  26          2H1       GLN  25  13.366  -3.209  -3.209

  Start of MODEL   12
    1   1H    GLY   1          3H        GLY   1  -0.422   9.008   9.008
    2   2H    GLY   1          1H        GLY   1  -1.599   8.392   8.392
    3   3H    GLY   1          2H        GLY   1  -0.264   9.098   9.098
    4   1HA   GLY   1          1HA       GLY   1   1.162   7.394   7.394
    5   2HA   GLY   1          2HA       GLY   1  -0.129   6.726   6.726
    6    H    CYS   2           H        CYS   2  -1.036   4.961   4.961
    7    HA   CYS   2           HA       CYS   2  -1.904   4.952   4.952
    8   1HB   CYS   2          1HB       CYS   2   0.432   3.652   3.652
    9   2HB   CYS   2          2HB       CYS   2  -0.313   2.659   2.659
   10    H    CYS   3           H        CYS   3  -2.026   2.693   2.693
   11    HA   CYS   3           HA       CYS   3  -4.802   2.292   2.292
   12   1HB   CYS   3          2HB       CYS   3  -2.960   0.873   0.873
   13   2HB   CYS   3          1HB       CYS   3  -3.842   1.742   1.742
   14    H    GLY   4           H        GLY   4  -3.137   4.982   4.982
   15   1HA   GLY   4          2HA       GLY   4  -4.159   6.101   6.101
   16   2HA   GLY   4          1HA       GLY   4  -3.745   7.034   7.034
   17    H    SER   5           H        SER   5  -5.729   5.848   5.848
   18    HA   SER   5           HA       SER   5  -8.385   6.657   6.657
   19   1HB   SER   5          1HB       SER   5  -7.215   7.888   7.888
   20   2HB   SER   5          2HB       SER   5  -8.824   8.210   8.210
   21    HG   SER   5           HG       SER   5  -7.342   9.810   9.810
   22    H    TYR   6           H        TYR   6  -7.403   3.981   3.981
   23    HA   TYR   6           HA       TYR   6  -9.331   3.388   3.388
   24   1HB   TYR   6          2HB       TYR   6  -6.355   2.767   2.767
   25   2HB   TYR   6          1HB       TYR   6  -7.494   1.907   1.907
   26    HD1  TYR   6           HD1      TYR   6  -5.849   5.181   5.181
   27    HD2  TYR   6           HD2      TYR   6  -8.606   2.995   2.995
   28    HE1  TYR   6           HE1      TYR   6  -5.685   6.943   6.943
   29    HE2  TYR   6           HE2      TYR   6  -8.479   4.792   4.792
   30    HH   TYR   6           HH       TYR   6  -6.409   7.686   7.686
   31    HA   PRO   7           HA       PRO   7 -10.317   0.716   0.716
   32   1HB   PRO   7          1HB       PRO   7 -11.731  -1.131  -1.131
   33   2HB   PRO   7          2HB       PRO   7 -12.414  -0.017  -0.017
   34   1HG   PRO   7          1HG       PRO   7 -12.625   0.612   0.612
   35   2HG   PRO   7          2HG       PRO   7 -12.184   1.866   1.866
   36   1HD   PRO   7          1HD       PRO   7 -10.324   0.028   0.028
   37   2HD   PRO   7          2HD       PRO   7 -10.378   1.803   1.803
   38    H    ASN   8           H        ASN   8  -9.790  -0.984  -0.984
   39    HA   ASN   8           HA       ASN   8  -7.745  -2.873  -2.873
   40   1HB   ASN   8          1HB       ASN   8  -8.499  -1.577  -1.577
   41   2HB   ASN   8          2HB       ASN   8  -9.252  -3.168  -3.168
   42   1HD2  ASN   8          1HD2      ASN   8  -5.821  -4.701  -4.701
   43   2HD2  ASN   8          2HD2      ASN   8  -7.465  -4.941  -4.941
   44    H    ALA   9           H        ALA   9 -10.201  -3.319  -3.319
   45    HA   ALA   9           HA       ALA   9 -11.208  -5.906  -5.906
   46   1HB   ALA   9          3HB       ALA   9 -10.364  -4.645  -4.645
   47   2HB   ALA   9          1HB       ALA   9 -11.383  -6.090  -6.090
   48   3HB   ALA   9          2HB       ALA   9 -11.966  -4.518  -4.518
   49    H    ALA  10           H        ALA  10  -8.372  -4.952  -4.952
   50    HA   ALA  10           HA       ALA  10  -6.648  -7.076  -7.076
   51   1HB   ALA  10          3HB       ALA  10  -7.403  -7.025  -7.025
   52   2HB   ALA  10          1HB       ALA  10  -6.099  -7.999  -7.999
   53   3HB   ALA  10          2HB       ALA  10  -7.785  -8.312  -8.312
   54    H    CYS  11           H        CYS  11  -6.048  -4.836  -4.836
   55    HA   CYS  11           HA       CYS  11  -4.155  -3.394  -3.394
   56   1HB   CYS  11          1HB       CYS  11  -6.362  -2.469  -2.469
   57   2HB   CYS  11          2HB       CYS  11  -6.680  -2.270  -2.270
   58    H    HIS  12           H        HIS  12  -2.445  -3.708  -3.708
   59    HA   HIS  12           HA       HIS  12  -2.349  -2.303  -2.303
   60   1HB   HIS  12          1HB       HIS  12  -1.751  -4.937  -4.937
   61   2HB   HIS  12          2HB       HIS  12  -0.258  -4.255  -4.255
   62    HD2  HIS  12           HD2      HIS  12  -2.028  -3.697  -3.697
   63    HE1  HIS  12           HE1      HIS  12   2.168  -3.949  -3.949
   64    HE2  HIS  12           HE2      HIS  12  -0.003  -3.673  -3.673
   65    HA   PRO  13           HA       PRO  13   0.345   0.650   0.650
   66   1HB   PRO  13          1HB       PRO  13   1.972   1.348   1.348
   67   2HB   PRO  13          2HB       PRO  13   0.246   1.502   1.502
   68   1HG   PRO  13          1HG       PRO  13   1.746  -0.837  -0.837
   69   2HG   PRO  13          2HG       PRO  13   0.928   0.447   0.447
   70   1HD   PRO  13          1HD       PRO  13  -0.423  -1.570  -1.570
   71   2HD   PRO  13          2HD       PRO  13  -1.235  -0.134  -0.134
   72    H    CYS  14           H        CYS  14   0.823  -2.151  -2.151
   73    HA   CYS  14           HA       CYS  14   3.822  -2.566  -2.566
   74   1HB   CYS  14          1HB       CYS  14   3.521  -2.970  -2.970
   75   2HB   CYS  14          2HB       CYS  14   2.090  -4.083  -4.083
   76    H    SER  15           H        SER  15   0.640  -4.338  -4.338
   77    HA   SER  15           HA       SER  15   1.025  -5.926  -5.926
   78   1HB   SER  15          1HB       SER  15  -1.538  -4.540  -4.540
   79   2HB   SER  15          2HB       SER  15  -1.405  -6.055  -6.055
   80    HG   SER  15           HG       SER  15  -1.732  -6.472  -6.472
   81    H    CYS  16           H        CYS  16   0.465  -2.429  -2.429
   82    HA   CYS  16           HA       CYS  16  -0.458  -1.898  -1.898
   83   1HB   CYS  16          1HB       CYS  16   1.438  -0.303  -0.303
   84   2HB   CYS  16          2HB       CYS  16   0.673   0.293   0.293
   85    H    LYS  17           H        LYS  17   0.751  -1.192  -1.192
   86    HA   LYS  17           HA       LYS  17   2.855  -2.989  -2.989
   87   1HB   LYS  17          2HB       LYS  17   1.527  -0.609  -0.609
   88   2HB   LYS  17          1HB       LYS  17   2.848  -1.495  -1.495
   89   1HG   LYS  17          1HG       LYS  17   1.530  -3.590  -3.590
   90   2HG   LYS  17          2HG       LYS  17   0.202  -2.693  -2.693
   91   1HD   LYS  17          1HD       LYS  17  -0.025  -1.268  -1.268
   92   2HD   LYS  17          2HD       LYS  17   1.330  -2.121  -2.121
   93   1HE   LYS  17          2HE       LYS  17   0.060  -4.245  -4.245
   94   2HE   LYS  17          1HE       LYS  17  -1.303  -3.398  -3.398
   95   1HZ   LYS  17          2HZ       LYS  17  -0.209  -2.835  -2.835
   96   2HZ   LYS  17          1HZ       LYS  17  -1.606  -3.648  -3.648
   97   3HZ   LYS  17          3HZ       LYS  17  -1.478  -2.051  -2.051
   98    H    ASP  18           H        ASP  18   2.806   0.595   0.595
   99    HA   ASP  18           HA       ASP  18   5.738   0.570   0.570
  100   1HB   ASP  18          2HB       ASP  18   5.172   1.822   1.822
  101   2HB   ASP  18          1HB       ASP  18   4.070   2.858   2.858
  102    HD1  ASP  18           HD2      ASP  18   7.368   1.741   1.741
  103    H    ARG  19           H        ARG  19   5.229  -0.037  -0.037
  104    HA   ARG  19           HA       ARG  19   3.029   1.238   1.238
  105   1HB   ARG  19          1HB       ARG  19   3.461  -0.464  -0.464
  106   2HB   ARG  19          2HB       ARG  19   3.632  -1.147  -1.147
  107   1HG   ARG  19          2HG       ARG  19   5.708  -0.722  -0.722
  108   2HG   ARG  19          1HG       ARG  19   5.345  -2.201  -2.201
  109   1HD   ARG  19          1HD       ARG  19   6.672   0.202   0.202
  110   2HD   ARG  19          2HD       ARG  19   7.562  -1.105  -1.105
  111    HE   ARG  19           HE       ARG  19   6.043  -2.387  -2.387
  112   1HH1  ARG  19          2HH1      ARG  19   8.603   0.067   0.067
  113   2HH1  ARG  19          1HH1      ARG  19   9.268  -0.364  -0.364
  114   1HH2  ARG  19          2HH2      ARG  19   6.839  -2.836  -2.836
  115   2HH2  ARG  19          1HH2      ARG  19   8.302  -2.071  -2.071
  116    HA   HYP  20           HA       PRO  20   4.998   4.128   4.128
  117   1HB   HYP  20          1HB       PRO  20   3.800   4.067   4.067
  118   2HB   HYP  20          2HB       PRO  20   3.830   2.289   2.289
  119   1HD   HYP  20          1HD       PRO  20   2.207   2.757   2.757
  120   2HD   HYP  20          2HD       PRO  20   2.320   1.362   1.362
  121    HOD  HYP  20           HOG      PRO  20   2.043   5.150   5.150
  122    HG   HYP  20           HG       PRO  20   1.566   2.896   2.896
  123    H    SER  21           H        SER  21   7.020   4.181   4.181
  124    HA   SER  21           HA       SER  21   8.617   2.025   2.025
  125   1HB   SER  21          1HB       SER  21  10.401   3.331   3.331
  126   2HB   SER  21          2HB       SER  21   9.465   4.167   4.167
  127    HG   SER  21           HG       SER  21   9.122   4.395   4.395
  128    H    TYR  22           H        TYR  22   6.999   2.523   2.523
  129    HA   TYR  22           HA       TYR  22   8.924   1.522   1.522
  130   1HB   TYR  22          2HB       TYR  22   6.405   0.563   0.563
  131   2HB   TYR  22          1HB       TYR  22   7.231   1.968   1.968
  132    HD1  TYR  22           HD2      TYR  22   6.890   4.193   4.193
  133    HD2  TYR  22           HD1      TYR  22   4.191   0.834   0.834
  134    HE1  TYR  22           HE2      TYR  22   4.963   5.714   5.714
  135    HE2  TYR  22           HE1      TYR  22   2.268   2.385   2.385
  136    HH   TYR  22           HH       TYR  22   1.576   4.551   4.551
  137    H    CYS  23           H        CYS  23   6.881  -0.136  -0.136
  138    HA   CYS  23           HA       CYS  23   7.501  -2.789  -2.789
  139   1HB   CYS  23          1HB       CYS  23   5.368  -2.952  -2.952
  140   2HB   CYS  23          2HB       CYS  23   5.557  -1.923  -1.923
  141    H    GLY  24           H        GLY  24   9.390  -0.866  -0.866
  142   1HA   GLY  24          1HA       GLY  24  11.103  -2.991  -2.991
  143   2HA   GLY  24          2HA       GLY  24  10.666  -1.720  -1.720
  144    H    GLN  25           H        GLN  25  11.413  -1.849  -1.849
  145    HA   GLN  25           HA       GLN  25  13.863  -0.375  -0.375
  146   1HB   GLN  25          1HB       GLN  25  12.354   1.645   1.645
  147   2HB   GLN  25          2HB       GLN  25  11.268   1.299   1.299
  148   1HG   GLN  25          1HG       GLN  25  13.059   1.841   1.841
  149   2HG   GLN  25          2HG       GLN  25  14.217   2.031   2.031
  150   1HE2  GLN  25          2HE2      GLN  25  11.226   4.881   4.881
  151   2HE2  GLN  25          1HE2      GLN  25  10.956   3.229   3.229
  152   1HN   NH2  26          1H1       GLN  25  11.552  -1.272  -1.272
  153   2HN   NH2  26          2H1       GLN  25  10.748  -0.734  -0.734