*HEADER    TOXIN                                   23-NOV-99   1DG2              
*TITLE     SOLUTION CONFORMATION OF A-CONOTOXIN AUIB                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: A-CONOTOXIN AUIB;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: SYNTHETIC                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_COMMON: CONUS AULICUS;                                      
*SOURCE   3 SECRETION: VENOM OF CONUS AULICUS;                                   
*SOURCE   4 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    A-HELIX, TWO DISULFIDE BONDS AND C-TERM AMIDATION                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.-H.CHO, K.H.MOK, B.M.OLIVERA, J.M.MCINTOSH, K.-H.PARK, K.-          
*AUTHOR   2 H.HAN                                                                
*REVDAT   1   25-FEB-00 1DG2    0                                                

|
| Constraint file 
|
#chiral
1:CYS_2:CA        R
1:CYS_3:CA        R
1:SER_4:CA        S
1:TYR_5:CA        S
1:PRO_6:CA        S
1:PRO_7:CA        S
1:CYS_8:CA        R
1:PHE_9:CA        S
1:ALA_10:CA       S
1:THR_11:CA       S
1:THR_11:CB       R
1:ASN_12:CA       S
1:PRO_13:CA       S
1:ASP_14:CA       S
1:CYS_15:CA       R
!
#distance
1:CYS_2:SG       1:CYS_8:SG         -1.000   2.500  15.00  15.00 1000.000
1:CYS_2:CB       1:CYS_8:SG         -1.000   3.500  15.00  15.00 1000.000
1:CYS_2:SG       1:CYS_8:CB         -1.000   3.500  15.00  15.00 1000.000
1:CYS_3:SG       1:CYS_15:SG        -1.000   2.500  15.00  15.00 1000.000
1:CYS_3:CB       1:CYS_15:SG        -1.000   3.500  15.00  15.00 1000.000
1:CYS_3:SG       1:CYS_15:CB        -1.000   3.500  15.00  15.00 1000.000
1:CYS_3:HN       1:CYS_2:HA          3.000   3.800  15.00  15.00 1000.000
1:ALA_10:HN      1:PHE_9:HA          3.000   3.800  15.00  15.00 1000.000
1:THR_11:HN      1:THR_11:HA         2.500   3.200  15.00  15.00 1000.000 
1:ASN_12:HN      1:THR_11:HN        -1.000   3.300  15.00  15.00 1000.000
1:ASN_12:HN      1:THR_11:HA         2.800   3.800  15.00  15.00 1000.000   
1:CYS_15:HN      1:ASP_14:HA         3.000   3.800  15.00  15.00 1000.000
1:PRO_6:HA       1:TYR_5:HA          3.500   5.000  15.00  15.00 1000.000
1:PRO_6:HD*      1:TYR_5:HA         -1.000   4.000  15.00  15.00 1000.000
1:PRO_7:HA       1:PRO_6:HA          3.500   5.000  15.00  15.00 1000.000
1:PRO_7:HD*      1:PRO_6:HA         -1.000   4.000  15.00  15.00 1000.000
1:PRO_7:HD*      1:PRO_6:HD*        -1.000   4.000  15.00  15.00 1000.000
1:PRO_13:HA      1:ASN_12:HA         3.500   5.000  15.00  15.00 1000.000
1:PRO_13:HD*     1:ASN_12:HA        -1.000   3.154  15.00  15.00 1000.000
!
#NOE_distance
1:CYS_2:HN       1:GLYN_1:HA*        2.367   3.105   2.576 15.00 15.00 1000.000
1:CYS_2:HA       1:CYS_2:HN          2.700   3.200   3.114 15.00 15.00 1000.000
1:CYS_2:HB1      1:CYS_2:HN         -1.000   2.635   2.535 15.00 15.00 1000.000
1:CYS_2:HB1      1:CYS_2:HA         -1.000   3.121   2.817 15.00 15.00 1000.000
1:CYS_2:HB2      1:CYS_2:HN         -1.000   2.722   2.600 15.00 15.00 1000.000
1:CYS_2:HB2      1:CYS_2:HA         -1.000   2.664   2.571 15.00 15.00 1000.000
1:CYS_3:HN       1:GLYN_1:HA*       -1.000   5.003   4.160 15.00 15.00 1000.000
1:CYS_3:HN       1:CYS_2:HN         -1.000   3.417   3.221 15.00 15.00 1000.000
1:CYS_3:HN       1:CYS_2:HB2        -1.000   3.971   3.471 15.00 15.00 1000.000
1:CYS_3:HA       1:CYS_3:HN          2.615   2.966   2.804 15.00 15.00 1000.000
1:CYS_3:HB1      1:CYS_3:HN         -1.000   2.530   2.230 15.00 15.00 1000.000
1:CYS_3:HB1      1:CYS_3:HA         -1.000   3.142   2.442 15.00 15.00 1000.000
1:CYS_3:HB2      1:CYS_3:HN         -1.000   3.715   3.015 15.00 15.00 1000.000
1:CYS_3:HB2      1:CYS_3:HA         -1.000   2.653   2.353 15.00 15.00 1000.000
1:SER_4:HN       1:CYS_3:HN         -1.000   2.908   2.796 15.00 15.00 1000.000
1:SER_4:HN       1:CYS_3:HA          3.023   3.623   3.123 15.00 15.00 1000.000
1:SER_4:HN       1:CYS_3:HB1        -1.000   3.298   3.120 15.00 15.00 1000.000
1:SER_4:HN       1:CYS_3:HB2        -1.000   4.224   3.724 15.00 15.00 1000.000
1:SER_4:HA       1:SER_4:HN          2.863   3.076   2.817 15.00 15.00 1000.000
1:SER_4:HB1      1:SER_4:HN         -1.000   3.751   2.911 15.00 15.00 1000.000
1:SER_4:HB1      1:SER_4:HA         -1.000   2.678   2.378 15.00 15.00 1000.000
1:SER_4:HB2      1:SER_4:HN         -1.000   2.883   2.729 15.00 15.00 1000.000
1:SER_4:HB2      1:SER_4:HA         -1.000   3.267   2.567 15.00 15.00 1000.000
1:TYR_5:HB2      1:CYS_2:HA         -1.000   5.000   4.000 15.00 15.00 1000.000
1:TYR_5:HN       1:SER_4:HN         -1.000   2.577   2.478 15.00 15.00 1000.000
1:TYR_5:HN       1:SER_4:HA          2.600   3.556   3.056 15.00 15.00 1000.000
1:TYR_5:HA       1:TYR_5:HN          2.600   3.105   2.863 15.00 15.00 1000.000
1:TYR_5:HB1      1:SER_4:HN         -1.000   4.812   3.812 15.00 15.00 1000.000
1:TYR_5:HB1      1:TYR_5:HN         -1.000   2.767   2.567 15.00 15.00 1000.000
1:TYR_5:HB1      1:TYR_5:HA         -1.000   2.607   2.412 15.00 15.00 1000.000
1:TYR_5:HB2      1:TYR_5:HN         -1.000   2.505   2.500 15.00 15.00 1000.000
1:TYR_5:HB2      1:TYR_5:HA         -1.000   3.143   2.643 15.00 15.00 1000.000
1:TYR_5:HD*      1:TYR_5:HA         -1.000   4.083   2.436 15.00 15.00 1000.000
1:TYR_5:HD*      1:TYR_5:HB2        -1.000   4.021   2.521 15.00 15.00 1000.000
1:TYR_5:HD*      1:TYR_5:HE*        -1.000   5.539   2.539 15.00 15.00 1000.000
1:TYR_5:HE*      1:TYR_5:HA         -1.000   6.553   4.053 15.00 15.00 1000.000
1:TYR_5:HE*      1:TYR_5:HB1        -1.000   6.430   3.930 15.00 15.00 1000.000
1:TYR_5:HE*      1:TYR_5:HB2        -1.000   6.353   3.853 15.00 15.00 1000.000
1:PRO_6:HB2      1:PRO_6:HA         -1.000   3.833   3.333 15.00 15.00 1000.000
1:PRO_6:HG2      1:TYR_5:HA         -1.000   4.363   3.363 15.00 15.00 1000.000
1:PRO_6:HG2      1:PRO_6:HA         -1.000   3.031   2.531 15.00 15.00 1000.000
1:PRO_6:HG2      1:PRO_6:HB2        -1.000   3.195   2.784 15.00 15.00 1000.000
1:PRO_6:HD*      1:TYR_5:HD*        -1.000   5.505   3.348 15.00 15.00 1000.000
1:PRO_6:HD*      1:TYR_5:HE*        -1.000   7.388   4.388 15.00 15.00 1000.000
1:PRO_6:HD*      1:PRO_6:HA         -1.000   3.666   2.037 15.00 15.00 1000.000
1:PRO_6:HD*      1:PRO_6:HB2        -1.000   5.218   3.718 15.00 15.00 1000.000
1:PRO_6:HD*      1:PRO_6:HG2        -1.000   3.215   2.649 15.00 15.00 1000.000
1:PRO_7:HB1      1:TYR_5:HD*        -1.000   6.062   3.562 15.00 15.00 1000.000
1:PRO_7:HB1      1:TYR_5:HE*        -1.000   5.271   3.002 15.00 15.00 1000.000
1:PRO_7:HB2      1:TYR_5:HE*        -1.000   6.203   3.703 15.00 15.00 1000.000
1:PRO_7:HG1      1:TYR_5:HD*        -1.000   4.652   3.218 15.00 15.00 1000.000
1:PRO_7:HG1      1:TYR_5:HE*        -1.000   3.497   3.385 15.00 15.00 1000.000
1:PRO_7:HG1      1:PRO_7:HB1        -1.000   4.028   3.028 15.00 15.00 1000.000
1:PRO_7:HG2      1:TYR_5:HD*        -1.000   6.833   4.333 15.00 15.00 1000.000
1:PRO_7:HG2      1:TYR_5:HE*        -1.000   6.409   3.909 15.00 15.00 1000.000
1:PRO_7:HG2      1:PRO_7:HB1        -1.000   3.552   2.552 15.00 15.00 1000.000
1:PRO_7:HG2      1:PRO_7:HB2        -1.000   3.489   2.489 15.00 15.00 1000.000
1:PRO_7:HD*      1:PRO_6:HB2        -1.000   4.489   2.989 15.00 15.00 1000.000
1:PRO_7:HD*      1:PRO_6:HG2        -1.000   4.922   3.422 15.00 15.00 1000.000
1:PRO_7:HD*      1:PRO_7:HB1        -1.000   5.547   4.047 15.00 15.00 1000.000
1:PRO_7:HD*      1:PRO_7:HG1        -1.000   3.606   2.106 15.00 15.00 1000.000
1:PRO_7:HD*      1:PRO_7:HG2        -1.000   3.261   2.761 15.00 15.00 1000.000
1:CYS_8:HA       1:CYS_2:HA         -1.000   5.000   4.000 15.00 15.00 1000.000
1:CYS_8:HN       1:TYR_5:HB1        -1.000   4.984   3.484 15.00 15.00 1000.000
1:CYS_8:HN       1:TYR_5:HB2        -1.000   4.984   3.069 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HA          3.000   3.641   3.036 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HB1        -1.000   3.348   2.848 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HB2        -1.000   3.929   3.429 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HG1        -1.000   3.792   2.792 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HG2        -1.000   4.496   3.996 15.00 15.00 1000.000
1:CYS_8:HN       1:PRO_7:HD*        -1.000   4.980   3.480 15.00 15.00 1000.000
1:CYS_8:HA       1:CYS_8:HN          2.500   2.975   2.351 15.00 15.00 1000.000
1:CYS_8:HB*      1:TYR_5:HD*        -1.000   4.689   2.876 15.00 15.00 1000.000
1:CYS_8:HB*      1:TYR_5:HE*        -1.000   7.128   4.128 15.00 15.00 1000.000
1:CYS_8:HB*      1:CYS_8:HN         -1.000   3.707   2.929 15.00 15.00 1000.000
1:CYS_8:HB*      1:CYS_8:HA         -1.000   3.524   2.024 15.00 15.00 1000.000
1:PHE_9:HN       1:CYS_8:HN         -1.000   2.886   2.286 15.00 15.00 1000.000
1:PHE_9:HN       1:CYS_8:HA          2.500   3.607   2.607 15.00 15.00 1000.000
1:PHE_9:HN       1:CYS_8:HB*        -1.000   5.175   3.675 15.00 15.00 1000.000
1:PHE_9:HA       1:PHE_9:HN          2.500   3.071   2.571 15.00 15.00 1000.000
1:PHE_9:HB1      1:CYS_3:HA         -1.000   3.500   3.000 15.00 15.00 1000.000
1:PHE_9:HB2      1:CYS_3:HA         -1.000   4.500   3.000 15.00 15.00 1000.000
1:PHE_9:HB1      1:PHE_9:HN         -1.000   2.635   2.475 15.00 15.00 1000.000
1:PHE_9:HB1      1:PHE_9:HA         -1.000   2.517   2.395 15.00 15.00 1000.000
1:PHE_9:HB2      1:PHE_9:HN         -1.000   2.815   2.315 15.00 15.00 1000.000
1:PHE_9:HB2      1:PHE_9:HA         -1.000   3.148   2.448 15.00 15.00 1000.000
1:PHE_9:HD*      1:CYS_3:HB2        -1.000   5.470   2.970 15.00 15.00 1000.000
1:PHE_9:HD*      1:PHE_9:HB1        -1.000   3.188   2.715 15.00 15.00 1000.000
1:ALA_10:HN      1:CYS_8:HA         -1.000   4.734   3.560 15.00 15.00 1000.000
1:ALA_10:HN      1:PHE_9:HN         -1.000   2.964   2.776 15.00 15.00 1000.000
1:ALA_10:HN      1:PHE_9:HB1        -1.000   3.889   2.980 15.00 15.00 1000.000
1:ALA_10:HN      1:PHE_9:HB2        -1.000   2.586   2.489 15.00 15.00 1000.000
1:ALA_10:HA      1:PHE_9:HD*        -1.000   5.067   3.067 15.00 15.00 1000.000
1:ALA_10:HA      1:ALA_10:HN         2.500   3.102   2.602 15.00 15.00 1000.000
1:ALA_10:HB*     1:PRO_7:HA         -1.000   4.227   3.257 15.00 15.00 1000.000
1:ALA_10:HB*     1:ALA_10:HN        -1.000   3.323   2.687 15.00 15.00 1000.000
1:ALA_10:HB*     1:ALA_10:HA        -1.000   4.085   2.585 15.00 15.00 1000.000
1:THR_11:HN      1:CYS_8:HA         -1.000   3.733   3.526 15.00 15.00 1000.000
1:THR_11:HN      1:ALA_10:HN        -1.000   2.980   2.746 15.00 15.00 1000.000
1:THR_11:HN      1:ALA_10:HA         3.000   3.568   3.068 15.00 15.00 1000.000
1:THR_11:HN      1:ALA_10:HB*       -1.000   4.250   3.307 15.00 15.00 1000.000
1:THR_11:HG*     1:CYS_8:HA         -1.000   5.842   4.342 15.00 15.00 1000.000
1:THR_11:HG*     1:THR_11:HN        -1.000   4.691   3.191 15.00 15.00 1000.000
1:ASN_12:HN      1:PHE_9:HA         -1.000   4.500   4.000 15.00 15.00 1000.000
1:ASN_12:HA      1:ASN_12:HN         2.766   3.164   2.953 15.00 15.00 1000.000
1:ASN_12:HB1     1:ASN_12:HN        -1.000   2.799   2.652 15.00 15.00 1000.000
1:ASN_12:HB1     1:ASN_12:HA        -1.000   2.545   2.424 15.00 15.00 1000.000
1:ASN_12:HB2     1:PHE_9:HA         -1.000   3.836   3.136 15.00 15.00 1000.000
1:ASN_12:HB2     1:ASN_12:HN        -1.000   2.564   2.578 15.00 15.00 1000.000
1:ASN_12:HB2     1:ASN_12:HA        -1.000   3.169   2.669 15.00 15.00 1000.000
1:ASN_12:HD21    1:ASN_12:HB1       -1.000   2.682   2.574 15.00 15.00 1000.000
1:PRO_13:HD*     1:ASN_12:HB1       -1.000   5.197   3.697 15.00 15.00 1000.000
1:PRO_13:HD*     1:ASN_12:HB2       -1.000   5.666   4.166 15.00 15.00 1000.000
1:PRO_13:HD*     1:PRO_13:HA        -1.000   5.673   4.173 15.00 15.00 1000.000
1:PRO_13:HD*     1:PRO_13:HB2       -1.000   4.094   3.125 15.00 15.00 1000.000
1:ASP_14:HN      1:ASN_12:HA        -1.000   4.297   3.509 15.00 15.00 1000.000
1:ASP_14:HN      1:ASN_12:HB2       -1.000   4.282   3.587 15.00 15.00 1000.000
1:ASP_14:HN      1:PRO_13:HA         3.266   3.693   3.294 15.00 15.00 1000.000
1:ASP_14:HN      1:PRO_13:HB2       -1.000   4.496   3.996 15.00 15.00 1000.000
1:ASP_14:HN      1:PRO_13:HD*       -1.000   3.848   3.152 15.00 15.00 1000.000
1:ASP_14:HA      1:ASP_14:HN         2.600   3.015   2.699 15.00 15.00 1000.000
1:ASP_14:HB1     1:ASP_14:HN        -1.000   2.548   2.430 15.00 15.00 1000.000
1:ASP_14:HB2     1:ASP_14:HN        -1.000   3.298   2.872 15.00 15.00 1000.000
1:CYS_15:HN      1:ASN_12:HA        -1.000   5.500   5.000 15.00 15.00 1000.000
1:CYS_15:HN      1:ASN_12:HB2       -1.000   3.372   3.223 15.00 15.00 1000.000
1:CYS_15:HN      1:PRO_13:HA        -1.000   4.721   3.261 15.00 15.00 1000.000
1:CYS_15:HN      1:ASP_14:HN        -1.000   3.015   2.515 15.00 15.00 1000.000
1:CYS_15:HN      1:ASP_14:HB1       -1.000   3.714   3.214 15.00 15.00 1000.000
1:CYS_15:HN      1:ASP_14:HB2       -1.000   4.044   3.471 15.00 15.00 1000.000
1:CYS_15:HA      1:CYS_3:HB2        -1.000   4.004   3.504 15.00 15.00 1000.000
1:CYS_15:HA      1:CYS_15:HN         2.567   3.050   2.550 15.00 15.00 1000.000
1:CYS_15:HB1     1:PHE_9:HA         -1.000   3.098   2.968 15.00 15.00 1000.000
1:CYS_15:HB1     1:CYS_15:HN        -1.000   2.470   2.383 15.00 15.00 1000.000
1:CYS_15:HB2     1:PHE_9:HA         -1.000   3.251   3.067 15.00 15.00 1000.000
1:CYS_15:HB2     1:CYS_15:HN        -1.000   3.739   2.843 15.00 15.00 1000.000
1:CYS_15:HN11    1:PRO_13:HA        -1.000   4.233   3.733 15.00 15.00 1000.000
1:CYS_15:HN11    1:CYS_15:HN        -1.000   3.084   2.722 15.00 15.00 1000.000
1:CYS_15:HN11    1:CYS_15:HB1       -1.000   3.637   3.333 15.00 15.00 1000.000
!
#mixing_times
2.000000E-01
!
#NMR_dihedral
1:GLYN_1:C      1:CYS_2:N     1:CYS_2:CA     1:CYS_2:C      -90.000  -30.000  100.00 100.00 100.000
1:CYS_2:C       1:CYS_3:N     1:CYS_3:CA     1:CYS_3:C      -90.000  -30.000  100.00 100.00 100.000
1:CYS_8:C       1:PHE_9:N     1:PHE_9:CA     1:PHE_9:C      -90.000  -30.000  100.00 100.00 100.000
1:PHE_9:C       1:ALA_10:N    1:ALA_10:CA    1:ALA_10:C     -90.000  -30.000  100.00 100.00 100.000
1:CYS_3:C       1:SER_4:N     1:SER_4:CA     1:SER_4:C     -150.000  -90.000  100.00 100.00 100.000
1:SER_4:C       1:TYR_5:N     1:TYR_5:CA     1:TYR_5:C     -150.000  -90.000  100.00 100.00 100.000
1:ALA_10:C      1:THR_11:N    1:THR_11:CA    1:THR_11:C    -150.000  -90.000  100.00 100.00 100.000
1:THR_11:C      1:ASN_12:N    1:ASN_12:CA    1:ASN_12:C    -150.000  -90.000  100.00 100.00 100.000
1:CYS_3:N       1:CYS_3:CA    1:CYS_3:CB     1:CYS_3:SG     -90.000  -30.000  100.00 100.00 100.000
1:CYS_15:N      1:CYS_15:CA   1:CYS_15:CB    1:CYS_15:SG    -90.000  -30.000  100.00 100.00 100.000







 Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  18.952   6.106 -16.856
    2   2H    GLY   1          2H        GLY   1  19.279   7.685 -16.499
    3   3H    GLY   1          3H        GLY   1  19.763   6.489 -15.468
    4   1HA   GLY   1          2HA       GLY   1  16.918   7.157 -16.083
    5   2HA   GLY   1          1HA       GLY   1  17.447   5.892 -14.976
    6    H    CYS   2           H        CYS   2  16.967   9.281 -15.381
    7    HA   CYS   2           HA       CYS   2  18.366  10.198 -12.934
    8   1HB   CYS   2          2HB       CYS   2  18.001  11.668 -14.943
    9   2HB   CYS   2          1HB       CYS   2  16.264  11.714 -14.598
   10    H    CYS   3           H        CYS   3  14.842   9.790 -13.658
   11    HA   CYS   3           HA       CYS   3  13.925  10.489 -10.962
   12   1HB   CYS   3          1HB       CYS   3  12.507   8.863 -13.165
   13   2HB   CYS   3          2HB       CYS   3  11.734   9.453 -11.695
   14    H    SER   4           H        SER   4  15.088   7.363 -12.176
   15    HA   SER   4           HA       SER   4  14.156   5.898  -9.689
   16   1HB   SER   4          1HB       SER   4  15.791   4.936 -12.115
   17   2HB   SER   4          2HB       SER   4  15.300   3.923 -10.758
   18    HG   SER   4           HG       SER   4  13.134   4.461 -11.211
   19    H    TYR   5           H        TYR   5  17.099   7.543 -10.751
   20    HA   TYR   5           HA       TYR   5  18.828   6.179  -8.693
   21   1HB   TYR   5          1HB       TYR   5  19.705   6.706 -10.949
   22   2HB   TYR   5          2HB       TYR   5  19.417   8.410 -10.707
   23    HD1  TYR   5           HD1      TYR   5  21.089   5.822  -8.400
   24    HD2  TYR   5           HD2      TYR   5  21.573   9.370 -10.797
   25    HE1  TYR   5           HE1      TYR   5  23.420   6.008  -7.673
   26    HE2  TYR   5           HE2      TYR   5  23.911   9.519 -10.085
   27    HH   TYR   5           HH       TYR   5  25.527   8.633  -8.848
   28    HA   PRO   6           HA       PRO   6  17.175   9.188  -5.634
   29   1HB   PRO   6          2HB       PRO   6  19.666   8.394  -4.049
   30   2HB   PRO   6          1HB       PRO   6  17.998   8.608  -3.484
   31   1HG   PRO   6          2HG       PRO   6  18.911   6.111  -4.025
   32   2HG   PRO   6          1HG       PRO   6  17.274   6.563  -4.551
   33   1HD   PRO   6          1HD       PRO   6  19.819   6.394  -6.245
   34   2HD   PRO   6          2HD       PRO   6  18.151   5.874  -6.631
   35    HA   PRO   7           HA       PRO   7  20.534  12.644  -5.209
   36   1HB   PRO   7          2HB       PRO   7  22.907  12.569  -6.647
   37   2HB   PRO   7          1HB       PRO   7  22.684  11.863  -5.039
   38   1HG   PRO   7          2HG       PRO   7  22.529  10.433  -7.715
   39   2HG   PRO   7          1HG       PRO   7  23.456   9.941  -6.280
   40   1HD   PRO   7          1HD       PRO   7  20.998   8.861  -6.851
   41   2HD   PRO   7          2HD       PRO   7  21.469   9.154  -5.153
   42    H    CYS   8           H        CYS   8  20.464  11.272  -8.533
   43    HA   CYS   8           HA       CYS   8  20.075  13.851  -9.914
   44   1HB   CYS   8          1HB       CYS   8  20.858  11.687 -11.010
   45   2HB   CYS   8          2HB       CYS   8  19.192  11.092 -10.963
   46    H    PHE   9           H        PHE   9  17.703  11.559  -8.510
   47    HA   PHE   9           HA       PHE   9  15.260  12.996  -9.295
   48   1HB   PHE   9          1HB       PHE   9  15.290  10.640  -8.456
   49   2HB   PHE   9          2HB       PHE   9  15.817  11.165  -6.883
   50    HD1  PHE   9           HD1      PHE   9  14.207  12.396  -5.345
   51    HD2  PHE   9           HD2      PHE   9  12.905  10.857  -9.147
   52    HE1  PHE   9           HE1      PHE   9  11.861  12.614  -4.645
   53    HE2  PHE   9           HE2      PHE   9  10.570  11.072  -8.426
   54    HZ   PHE   9           HZ       PHE   9  10.038  11.956  -6.180
   55    H    ALA  10           H        ALA  10  17.258  13.244  -6.301
   56    HA   ALA  10           HA       ALA  10  15.788  15.434  -5.070
   57   1HB   ALA  10          1HB       ALA  10  17.360  13.954  -3.820
   58   2HB   ALA  10          2HB       ALA  10  18.750  14.642  -4.697
   59   3HB   ALA  10          3HB       ALA  10  17.791  15.658  -3.595
   60    H    THR  11           H        THR  11  18.354  15.638  -7.522
   61    HA   THR  11           HA       THR  11  18.673  18.615  -7.122
   62    HB   THR  11           HB       THR  11  20.378  18.488  -8.964
   63    HG1  THR  11           HG1      THR  11  19.526  16.658  -9.990
   64   1HG2  THR  11          1HG2      THR  11  21.149  18.284  -6.607
   65   2HG2  THR  11          2HG2      THR  11  20.926  16.518  -6.662
   66   3HG2  THR  11          3HG2      THR  11  22.138  17.296  -7.707
   67    H    ASN  12           H        ASN  12  17.265  16.497  -9.684
   68    HA   ASN  12           HA       ASN  12  16.898  18.806 -11.523
   69   1HB   ASN  12          2HB       ASN  12  16.129  15.845 -11.784
   70   2HB   ASN  12          1HB       ASN  12  15.773  17.033 -13.005
   71   1HD2  ASN  12          1HD2      ASN  12  17.465  17.881 -14.288
   72   2HD2  ASN  12          2HD2      ASN  12  19.138  17.127 -14.281
   73    HA   PRO  13           HA       PRO  13  12.696  19.794  -9.807
   74   1HB   PRO  13          2HB       PRO  13  12.470  21.257 -12.492
   75   2HB   PRO  13          1HB       PRO  13  11.990  21.812 -10.874
   76   1HG   PRO  13          1HG       PRO  13  14.332  22.674 -11.942
   77   2HG   PRO  13          2HG       PRO  13  14.295  22.190 -10.230
   78   1HD   PRO  13          1HD       PRO  13  15.331  20.568 -12.618
   79   2HD   PRO  13          2HD       PRO  13  16.035  20.772 -10.985
   80    H    ASP  14           H        ASP  14  12.921  18.548 -13.156
   81    HA   ASP  14           HA       ASP  14  10.086  17.847 -13.442
   82   1HB   ASP  14          1HB       ASP  14  11.761  18.136 -15.341
   83   2HB   ASP  14          2HB       ASP  14  12.499  16.606 -14.909
   84    H    CYS  15           H        CYS  15  12.874  15.820 -12.391
   85    HA   CYS  15           HA       CYS  15  11.206  13.437 -11.749
   86   1HB   CYS  15          1HB       CYS  15  14.117  14.173 -11.068
   87   2HB   CYS  15          2HB       CYS  15  13.335  12.696 -10.506
   88   1HN   NH2  16          1HN       NH2  16  12.996  15.612  -9.395
   89   2HN   NH2  16          2HN       NH2  16  11.701  15.421  -8.109
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  19.041   6.237 -16.861
    2   2H    GLY   1          2H        GLY   1  19.854   6.639 -15.479
    3   3H    GLY   1          3H        GLY   1  19.325   7.825 -16.501
    4   1HA   GLY   1          2HA       GLY   1  16.984   7.225 -16.064
    5   2HA   GLY   1          1HA       GLY   1  17.561   5.972 -14.968
    6    H    CYS   2           H        CYS   2  16.985   9.349 -15.356
    7    HA   CYS   2           HA       CYS   2  18.371  10.280 -12.904
    8   1HB   CYS   2          2HB       CYS   2  17.992  11.762 -14.899
    9   2HB   CYS   2          1HB       CYS   2  16.253  11.778 -14.562
   10    H    CYS   3           H        CYS   3  14.854   9.839 -13.644
   11    HA   CYS   3           HA       CYS   3  13.930  10.472 -10.930
   12   1HB   CYS   3          1HB       CYS   3  12.520   8.888 -13.169
   13   2HB   CYS   3          2HB       CYS   3  11.746   9.451 -11.689
   14    H    SER   4           H        SER   4  15.179   7.424 -12.192
   15    HA   SER   4           HA       SER   4  14.191   5.852  -9.783
   16   1HB   SER   4          2HB       SER   4  15.914   4.953 -12.175
   17   2HB   SER   4          1HB       SER   4  15.377   3.910 -10.856
   18    HG   SER   4           HG       SER   4  13.693   5.394 -12.585
   19    H    TYR   5           H        TYR   5  17.164   7.507 -10.779
   20    HA   TYR   5           HA       TYR   5  18.828   6.186  -8.632
   21   1HB   TYR   5          1HB       TYR   5  19.790   6.659 -10.865
   22   2HB   TYR   5          2HB       TYR   5  19.482   8.367 -10.687
   23    HD1  TYR   5           HD1      TYR   5  21.222   5.585  -8.712
   24    HD2  TYR   5           HD2      TYR   5  21.407   9.640 -10.142
   25    HE1  TYR   5           HE1      TYR   5  23.484   5.819  -7.783
   26    HE2  TYR   5           HE2      TYR   5  23.671   9.854  -9.226
   27    HH   TYR   5           HH       TYR   5  25.313   8.863  -8.110
   28    HA   PRO   6           HA       PRO   6  17.007   9.373  -5.853
   29   1HB   PRO   6          1HB       PRO   6  19.134   8.516  -3.848
   30   2HB   PRO   6          2HB       PRO   6  17.394   8.736  -3.624
   31   1HG   PRO   6          1HG       PRO   6  18.428   6.227  -3.947
   32   2HG   PRO   6          2HG       PRO   6  16.879   6.659  -4.705
   33   1HD   PRO   6          2HD       PRO   6  19.630   6.477  -6.039
   34   2HD   PRO   6          1HD       PRO   6  18.030   5.930  -6.624
   35    HA   PRO   7           HA       PRO   7  20.808  12.480  -5.211
   36   1HB   PRO   7          2HB       PRO   7  22.641  11.357  -7.386
   37   2HB   PRO   7          1HB       PRO   7  23.065  12.244  -5.912
   38   1HG   PRO   7          1HG       PRO   7  23.347   9.542  -5.991
   39   2HG   PRO   7          2HG       PRO   7  22.670  10.294  -4.526
   40   1HD   PRO   7          1HD       PRO   7  21.143   8.901  -6.797
   41   2HD   PRO   7          2HD       PRO   7  20.928   8.745  -5.036
   42    H    CYS   8           H        CYS   8  20.463  11.203  -8.559
   43    HA   CYS   8           HA       CYS   8  20.084  13.842  -9.819
   44   1HB   CYS   8          2HB       CYS   8  20.856  11.751 -11.025
   45   2HB   CYS   8          1HB       CYS   8  19.199  11.131 -10.978
   46    H    PHE   9           H        PHE   9  17.694  11.574  -8.422
   47    HA   PHE   9           HA       PHE   9  15.262  12.989  -9.268
   48   1HB   PHE   9          1HB       PHE   9  15.299  10.653  -8.359
   49   2HB   PHE   9          2HB       PHE   9  15.776  11.236  -6.791
   50    HD1  PHE   9           HD1      PHE   9  12.935  10.758  -9.090
   51    HD2  PHE   9           HD2      PHE   9  14.111  12.558  -5.363
   52    HE1  PHE   9           HE1      PHE   9  10.579  10.954  -8.433
   53    HE2  PHE   9           HE2      PHE   9  11.745  12.760  -4.729
   54    HZ   PHE   9           HZ       PHE   9   9.975  11.960  -6.258
   55    H    ALA  10           H        ALA  10  17.203  13.306  -6.245
   56    HA   ALA  10           HA       ALA  10  15.738  15.551  -5.106
   57   1HB   ALA  10          1HB       ALA  10  18.682  14.729  -4.656
   58   2HB   ALA  10          2HB       ALA  10  17.267  14.093  -3.780
   59   3HB   ALA  10          3HB       ALA  10  17.721  15.796  -3.605
   60    H    THR  11           H        THR  11  18.376  15.633  -7.495
   61    HA   THR  11           HA       THR  11  18.676  18.629  -7.232
   62    HB   THR  11           HB       THR  11  20.446  18.425  -8.992
   63    HG1  THR  11           HG1      THR  11  21.134  16.354  -9.526
   64   1HG2  THR  11          1HG2      THR  11  20.917  16.513  -6.625
   65   2HG2  THR  11          2HG2      THR  11  22.160  17.276  -7.644
   66   3HG2  THR  11          3HG2      THR  11  21.132  18.282  -6.598
   67    H    ASN  12           H        ASN  12  17.154  16.405  -9.582
   68    HA   ASN  12           HA       ASN  12  16.883  18.550 -11.643
   69   1HB   ASN  12          1HB       ASN  12  17.410  16.181 -12.230
   70   2HB   ASN  12          2HB       ASN  12  15.853  15.661 -11.629
   71   1HD2  ASN  12          1HD2      ASN  12  17.389  17.721 -14.104
   72   2HD2  ASN  12          2HD2      ASN  12  16.019  17.542 -15.312
   73    HA   PRO  13           HA       PRO  13  12.762  19.888  -9.889
   74   1HB   PRO  13          1HB       PRO  13  12.560  21.183 -12.658
   75   2HB   PRO  13          2HB       PRO  13  12.157  21.869 -11.070
   76   1HG   PRO  13          2HG       PRO  13  14.509  22.527 -12.257
   77   2HG   PRO  13          1HG       PRO  13  14.495  22.169 -10.514
   78   1HD   PRO  13          2HD       PRO  13  15.369  20.319 -12.802
   79   2HD   PRO  13          1HD       PRO  13  16.142  20.612 -11.214
   80    H    ASP  14           H        ASP  14  12.888  18.482 -13.193
   81    HA   ASP  14           HA       ASP  14  10.023  17.827 -13.362
   82   1HB   ASP  14          1HB       ASP  14  12.393  16.597 -14.901
   83   2HB   ASP  14          2HB       ASP  14  10.712  16.247 -15.231
   84    H    CYS  15           H        CYS  15  12.817  15.810 -12.321
   85    HA   CYS  15           HA       CYS  15  11.157  13.428 -11.668
   86   1HB   CYS  15          1HB       CYS  15  14.057  14.180 -10.954
   87   2HB   CYS  15          2HB       CYS  15  13.278  12.687 -10.430
   88   1HN   NH2  16          1HN       NH2  16  12.913  15.647  -9.328
   89   2HN   NH2  16          2HN       NH2  16  11.626  15.436  -8.037
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  19.837   6.598 -15.475
    2   2H    GLY   1          2H        GLY   1  19.027   6.180 -16.853
    3   3H    GLY   1          3H        GLY   1  19.296   7.772 -16.504
    4   1HA   GLY   1          2HA       GLY   1  16.962   7.154 -16.062
    5   2HA   GLY   1          1HA       GLY   1  17.551   5.913 -14.958
    6    H    CYS   2           H        CYS   2  16.948   9.284 -15.369
    7    HA   CYS   2           HA       CYS   2  18.325  10.247 -12.927
    8   1HB   CYS   2          1HB       CYS   2  17.925  11.707 -14.931
    9   2HB   CYS   2          2HB       CYS   2  16.188  11.706 -14.585
   10    H    CYS   3           H        CYS   3  14.815   9.749 -13.653
   11    HA   CYS   3           HA       CYS   3  13.887  10.419 -10.949
   12   1HB   CYS   3          1HB       CYS   3  12.489   8.800 -13.170
   13   2HB   CYS   3          2HB       CYS   3  11.709   9.367 -11.694
   14    H    SER   4           H        SER   4  15.137   7.353 -12.173
   15    HA   SER   4           HA       SER   4  14.183   5.825  -9.723
   16   1HB   SER   4          2HB       SER   4  15.885   4.888 -12.116
   17   2HB   SER   4          1HB       SER   4  15.366   3.867 -10.772
   18    HG   SER   4           HG       SER   4  13.975   3.746 -12.533
   19    H    TYR   5           H        TYR   5  17.147   7.469 -10.780
   20    HA   TYR   5           HA       TYR   5  18.833   6.198  -8.630
   21   1HB   TYR   5          2HB       TYR   5  19.759   6.660 -10.878
   22   2HB   TYR   5          1HB       TYR   5  19.442   8.366 -10.704
   23    HD1  TYR   5           HD1      TYR   5  21.363   9.658 -10.188
   24    HD2  TYR   5           HD2      TYR   5  21.231   5.608  -8.738
   25    HE1  TYR   5           HE1      TYR   5  23.635   9.897  -9.297
   26    HE2  TYR   5           HE2      TYR   5  23.500   5.868  -7.835
   27    HH   TYR   5           HH       TYR   5  25.241   7.222  -7.573
   28    HA   PRO   6           HA       PRO   6  17.022   9.393  -5.855
   29   1HB   PRO   6          1HB       PRO   6  19.175   8.565  -3.866
   30   2HB   PRO   6          2HB       PRO   6  17.437   8.775  -3.626
   31   1HG   PRO   6          1HG       PRO   6  18.486   6.271  -3.941
   32   2HG   PRO   6          2HG       PRO   6  16.926   6.686  -4.686
   33   1HD   PRO   6          1HD       PRO   6  19.663   6.515  -6.048
   34   2HD   PRO   6          2HD       PRO   6  18.062   5.950  -6.612
   35    HA   PRO   7           HA       PRO   7  20.796  12.528  -5.268
   36   1HB   PRO   7          1HB       PRO   7  22.653  11.426  -7.428
   37   2HB   PRO   7          2HB       PRO   7  23.059  12.302  -5.941
   38   1HG   PRO   7          1HG       PRO   7  23.360   9.601  -6.051
   39   2HG   PRO   7          2HG       PRO   7  22.684  10.341  -4.580
   40   1HD   PRO   7          1HD       PRO   7  21.156   8.947  -6.848
   41   2HD   PRO   7          2HD       PRO   7  20.950   8.787  -5.087
   42    H    CYS   8           H        CYS   8  20.386  11.212  -8.599
   43    HA   CYS   8           HA       CYS   8  20.055  13.854  -9.884
   44   1HB   CYS   8          2HB       CYS   8  20.797  11.747 -11.077
   45   2HB   CYS   8          1HB       CYS   8  19.138  11.134 -11.001
   46    H    PHE   9           H        PHE   9  17.657  11.591  -8.488
   47    HA   PHE   9           HA       PHE   9  15.230  13.052  -9.267
   48   1HB   PHE   9          1HB       PHE   9  15.274  10.690  -8.401
   49   2HB   PHE   9          2HB       PHE   9  15.753  11.250  -6.826
   50    HD1  PHE   9           HD1      PHE   9  14.086  12.592  -5.397
   51    HD2  PHE   9           HD2      PHE   9  12.916  10.770  -9.115
   52    HE1  PHE   9           HE1      PHE   9  11.719  12.785  -4.762
   53    HE2  PHE   9           HE2      PHE   9  10.560  10.957  -8.457
   54    HZ   PHE   9           HZ       PHE   9   9.952  11.970  -6.286
   55    H    ALA  10           H        ALA  10  17.227  13.288  -6.274
   56    HA   ALA  10           HA       ALA  10  15.794  15.510  -5.055
   57   1HB   ALA  10          1HB       ALA  10  17.340  14.009  -3.796
   58   2HB   ALA  10          2HB       ALA  10  18.742  14.663  -4.680
   59   3HB   ALA  10          3HB       ALA  10  17.805  15.705  -3.583
   60    H    THR  11           H        THR  11  18.355  15.650  -7.516
   61    HA   THR  11           HA       THR  11  18.725  18.625  -7.139
   62    HB   THR  11           HB       THR  11  20.416  18.461  -8.987
   63    HG1  THR  11           HG1      THR  11  19.895  15.688  -8.770
   64   1HG2  THR  11          1HG2      THR  11  21.197  18.251  -6.631
   65   2HG2  THR  11          2HG2      THR  11  20.949  16.489  -6.683
   66   3HG2  THR  11          3HG2      THR  11  22.166  17.249  -7.735
   67    H    ASN  12           H        ASN  12  17.295  16.503  -9.689
   68    HA   ASN  12           HA       ASN  12  16.905  18.815 -11.522
   69   1HB   ASN  12          2HB       ASN  12  16.150  15.850 -11.787
   70   2HB   ASN  12          1HB       ASN  12  15.782  17.041 -13.002
   71   1HD2  ASN  12          1HD2      ASN  12  17.450  17.857 -14.319
   72   2HD2  ASN  12          2HD2      ASN  12  19.133  17.128 -14.307
   73    HA   PRO  13           HA       PRO  13  12.699  19.760  -9.786
   74   1HB   PRO  13          2HB       PRO  13  12.453  21.232 -12.464
   75   2HB   PRO  13          1HB       PRO  13  11.974  21.777 -10.842
   76   1HG   PRO  13          1HG       PRO  13  14.305  22.664 -11.914
   77   2HG   PRO  13          2HG       PRO  13  14.278  22.172 -10.203
   78   1HD   PRO  13          1HD       PRO  13  15.319  20.569 -12.602
   79   2HD   PRO  13          2HD       PRO  13  16.028  20.773 -10.971
   80    H    ASP  14           H        ASP  14  12.932  18.524 -13.138
   81    HA   ASP  14           HA       ASP  14  10.101  17.824 -13.436
   82   1HB   ASP  14          1HB       ASP  14  11.786  18.115 -15.325
   83   2HB   ASP  14          2HB       ASP  14  12.517  16.581 -14.895
   84    H    CYS  15           H        CYS  15  12.878  15.777 -12.389
   85    HA   CYS  15           HA       CYS  15  11.186  13.408 -11.744
   86   1HB   CYS  15          1HB       CYS  15  14.112  14.106 -11.090
   87   2HB   CYS  15          2HB       CYS  15  13.315  12.639 -10.517
   88   1HN   NH2  16          1HN       NH2  16  13.018  15.564  -9.407
   89   2HN   NH2  16          2HN       NH2  16  11.731  15.390  -8.111
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  19.712   6.334 -15.266
    2   2H    GLY   1          2H        GLY   1  18.969   6.015 -16.706
    3   3H    GLY   1          3H        GLY   1  19.425   7.559 -16.336
    4   1HA   GLY   1          2HA       GLY   1  17.000   7.271 -16.090
    5   2HA   GLY   1          1HA       GLY   1  17.319   5.975 -14.941
    6    H    CYS   2           H        CYS   2  17.103   9.366 -15.361
    7    HA   CYS   2           HA       CYS   2  18.453  10.231 -12.875
    8   1HB   CYS   2          1HB       CYS   2  18.196  11.720 -14.878
    9   2HB   CYS   2          2HB       CYS   2  16.451  11.812 -14.589
   10    H    CYS   3           H        CYS   3  14.937   9.946 -13.687
   11    HA   CYS   3           HA       CYS   3  13.969  10.548 -10.974
   12   1HB   CYS   3          1HB       CYS   3  12.580   9.023 -13.268
   13   2HB   CYS   3          2HB       CYS   3  11.787   9.571 -11.791
   14    H    SER   4           H        SER   4  15.238   7.537 -12.267
   15    HA   SER   4           HA       SER   4  14.207   5.910  -9.920
   16   1HB   SER   4          1HB       SER   4  15.265   3.979 -11.003
   17   2HB   SER   4          2HB       SER   4  14.210   4.822 -12.129
   18    HG   SER   4           HG       SER   4  16.079   5.863 -12.969
   19    H    TYR   5           H        TYR   5  17.195   7.592 -10.807
   20    HA   TYR   5           HA       TYR   5  18.827   6.181  -8.711
   21   1HB   TYR   5          1HB       TYR   5  19.782   6.741 -10.928
   22   2HB   TYR   5          2HB       TYR   5  19.509   8.444 -10.659
   23    HD1  TYR   5           HD1      TYR   5  21.080   5.744  -8.410
   24    HD2  TYR   5           HD2      TYR   5  21.665   9.402 -10.608
   25    HE1  TYR   5           HE1      TYR   5  23.387   5.877  -7.595
   26    HE2  TYR   5           HE2      TYR   5  23.979   9.501  -9.808
   27    HH   TYR   5           HH       TYR   5  25.545   8.546  -8.558
   28    HA   PRO   6           HA       PRO   6  17.099   9.151  -5.663
   29   1HB   PRO   6          2HB       PRO   6  19.518   8.337  -3.978
   30   2HB   PRO   6          1HB       PRO   6  17.823   8.515  -3.492
   31   1HG   PRO   6          1HG       PRO   6  18.814   6.039  -4.032
   32   2HG   PRO   6          2HG       PRO   6  17.188   6.473  -4.607
   33   1HD   PRO   6          2HD       PRO   6  19.782   6.371  -6.223
   34   2HD   PRO   6          1HD       PRO   6  18.133   5.843  -6.670
   35    HA   PRO   7           HA       PRO   7  20.427  12.597  -5.070
   36   1HB   PRO   7          1HB       PRO   7  22.865  12.533  -6.399
   37   2HB   PRO   7          2HB       PRO   7  22.571  11.842  -4.794
   38   1HG   PRO   7          2HG       PRO   7  22.563  10.402  -7.479
   39   2HG   PRO   7          1HG       PRO   7  23.403   9.907  -5.994
   40   1HD   PRO   7          1HD       PRO   7  20.977   8.833  -6.725
   41   2HD   PRO   7          2HD       PRO   7  21.361   9.095  -5.000
   42    H    CYS   8           H        CYS   8  20.447  11.235  -8.405
   43    HA   CYS   8           HA       CYS   8  20.120  13.842  -9.766
   44   1HB   CYS   8          2HB       CYS   8  20.950  11.690 -10.865
   45   2HB   CYS   8          1HB       CYS   8  19.284  11.094 -10.885
   46    H    PHE   9           H        PHE   9  17.730  11.571  -8.387
   47    HA   PHE   9           HA       PHE   9  15.297  12.962  -9.288
   48   1HB   PHE   9          1HB       PHE   9  15.318  10.632  -8.383
   49   2HB   PHE   9          2HB       PHE   9  15.795  11.204  -6.811
   50    HD1  PHE   9           HD1      PHE   9  12.954  10.781  -9.130
   51    HD2  PHE   9           HD2      PHE   9  14.136  12.497  -5.366
   52    HE1  PHE   9           HE1      PHE   9  10.598  10.980  -8.473
   53    HE2  PHE   9           HE2      PHE   9  11.770  12.704  -4.732
   54    HZ   PHE   9           HZ       PHE   9   9.997  11.948  -6.280
   55    H    ALA  10           H        ALA  10  17.211  13.295  -6.247
   56    HA   ALA  10           HA       ALA  10  15.769  15.602  -5.173
   57   1HB   ALA  10          1HB       ALA  10  18.682  14.709  -4.656
   58   2HB   ALA  10          2HB       ALA  10  17.733  15.826  -3.646
   59   3HB   ALA  10          3HB       ALA  10  17.236  14.132  -3.787
   60    H    THR  11           H        THR  11  18.295  15.554  -7.641
   61    HA   THR  11           HA       THR  11  18.844  18.514  -7.377
   62    HB   THR  11           HB       THR  11  20.015  16.469  -9.351
   63    HG1  THR  11           HG1      THR  11  20.471  16.089  -7.162
   64   1HG2  THR  11          1HG2      THR  11  21.895  18.111  -9.616
   65   2HG2  THR  11          2HG2      THR  11  21.021  19.303  -8.622
   66   3HG2  THR  11          3HG2      THR  11  20.373  18.807 -10.206
   67    H    ASN  12           H        ASN  12  17.179  16.362  -9.746
   68    HA   ASN  12           HA       ASN  12  16.831  18.586 -11.693
   69   1HB   ASN  12          1HB       ASN  12  17.360  16.236 -12.368
   70   2HB   ASN  12          2HB       ASN  12  15.811  15.691 -11.768
   71   1HD2  ASN  12          1HD2      ASN  12  17.344  17.780 -14.207
   72   2HD2  ASN  12          2HD2      ASN  12  15.949  17.675 -15.395
   73    HA   PRO  13           HA       PRO  13  12.734  19.843  -9.824
   74   1HB   PRO  13          2HB       PRO  13  12.479  21.230 -12.543
   75   2HB   PRO  13          1HB       PRO  13  12.101  21.860 -10.926
   76   1HG   PRO  13          2HG       PRO  13  14.431  22.568 -12.129
   77   2HG   PRO  13          1HG       PRO  13  14.447  22.151 -10.399
   78   1HD   PRO  13          2HD       PRO  13  15.289  20.384 -12.764
   79   2HD   PRO  13          1HD       PRO  13  16.087  20.625 -11.180
   80    H    ASP  14           H        ASP  14  12.810  18.553 -13.169
   81    HA   ASP  14           HA       ASP  14   9.964  17.855 -13.320
   82   1HB   ASP  14          1HB       ASP  14  11.558  18.121 -15.294
   83   2HB   ASP  14          2HB       ASP  14  12.307  16.592 -14.878
   84    H    CYS  15           H        CYS  15  12.792  15.868 -12.309
   85    HA   CYS  15           HA       CYS  15  11.192  13.452 -11.657
   86   1HB   CYS  15          1HB       CYS  15  14.062  14.275 -10.897
   87   2HB   CYS  15          2HB       CYS  15  13.313  12.751 -10.417
   88   1HN   NH2  16          1HN       NH2  16  12.893  15.673  -9.280
   89   2HN   NH2  16          2HN       NH2  16  11.590  15.443  -8.008
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  19.299   7.726 -16.500
    2   2H    GLY   1          2H        GLY   1  19.788   6.527 -15.475
    3   3H    GLY   1          3H        GLY   1  18.969   6.147 -16.858
    4   1HA   GLY   1          1HA       GLY   1  16.940   7.197 -16.072
    5   2HA   GLY   1          2HA       GLY   1  17.475   5.930 -14.971
    6    H    CYS   2           H        CYS   2  17.002   9.322 -15.369
    7    HA   CYS   2           HA       CYS   2  18.406  10.224 -12.917
    8   1HB   CYS   2          1HB       CYS   2  18.067  11.700 -14.922
    9   2HB   CYS   2          2HB       CYS   2  16.331  11.767 -14.577
   10    H    CYS   3           H        CYS   3  14.879   9.868 -13.657
   11    HA   CYS   3           HA       CYS   3  13.959  10.530 -10.952
   12   1HB   CYS   3          1HB       CYS   3  12.534   8.940 -13.177
   13   2HB   CYS   3          2HB       CYS   3  11.764   9.525 -11.703
   14    H    SER   4           H        SER   4  15.132   7.425 -12.201
   15    HA   SER   4           HA       SER   4  14.162   5.915  -9.757
   16   1HB   SER   4          1HB       SER   4  15.839   4.998 -12.171
   17   2HB   SER   4          2HB       SER   4  15.326   3.961 -10.841
   18    HG   SER   4           HG       SER   4  13.610   5.446 -12.536
   19    H    TYR   5           H        TYR   5  17.132   7.557 -10.763
   20    HA   TYR   5           HA       TYR   5  18.819   6.171  -8.686
   21   1HB   TYR   5          1HB       TYR   5  19.732   6.701 -10.928
   22   2HB   TYR   5          2HB       TYR   5  19.454   8.406 -10.682
   23    HD1  TYR   5           HD1      TYR   5  21.073   5.796  -8.364
   24    HD2  TYR   5           HD2      TYR   5  21.618   9.349 -10.738
   25    HE1  TYR   5           HE1      TYR   5  23.396   5.961  -7.602
   26    HE2  TYR   5           HE2      TYR   5  23.947   9.479  -9.991
   27    HH   TYR   5           HH       TYR   5  25.304   7.088  -7.722
   28    HA   PRO   6           HA       PRO   6  17.148   9.179  -5.635
   29   1HB   PRO   6          2HB       PRO   6  19.614   8.362  -4.023
   30   2HB   PRO   6          1HB       PRO   6  17.941   8.585  -3.477
   31   1HG   PRO   6          2HG       PRO   6  18.842   6.084  -4.017
   32   2HG   PRO   6          1HG       PRO   6  17.215   6.550  -4.562
   33   1HD   PRO   6          2HD       PRO   6  19.780   6.369  -6.224
   34   2HD   PRO   6          1HD       PRO   6  18.113   5.863  -6.634
   35    HA   PRO   7           HA       PRO   7  20.521  12.616  -5.158
   36   1HB   PRO   7          2HB       PRO   7  22.909  12.530  -6.569
   37   2HB   PRO   7          1HB       PRO   7  22.665  11.824  -4.964
   38   1HG   PRO   7          2HG       PRO   7  22.534  10.397  -7.643
   39   2HG   PRO   7          1HG       PRO   7  23.441   9.899  -6.197
   40   1HD   PRO   7          2HD       PRO   7  20.984   8.833  -6.800
   41   2HD   PRO   7          1HD       PRO   7  21.437   9.121  -5.096
   42    H    CYS   8           H        CYS   8  20.485  11.247  -8.483
   43    HA   CYS   8           HA       CYS   8  20.111  13.830  -9.862
   44   1HB   CYS   8          1HB       CYS   8  20.911  11.668 -10.957
   45   2HB   CYS   8          2HB       CYS   8  19.243  11.077 -10.938
   46    H    PHE   9           H        PHE   9  17.731  11.546  -8.465
   47    HA   PHE   9           HA       PHE   9  15.290  12.950  -9.310
   48   1HB   PHE   9          1HB       PHE   9  15.310  10.616  -8.436
   49   2HB   PHE   9          2HB       PHE   9  15.837  11.157  -6.869
   50    HD1  PHE   9           HD1      PHE   9  14.230  12.387  -5.335
   51    HD2  PHE   9           HD2      PHE   9  12.920  10.839  -9.130
   52    HE1  PHE   9           HE1      PHE   9  11.885  12.609  -4.631
   53    HE2  PHE   9           HE2      PHE   9  10.587  11.055  -8.405
   54    HZ   PHE   9           HZ       PHE   9  10.060  11.946  -6.161
   55    H    ALA  10           H        ALA  10  17.231  13.258  -6.285
   56    HA   ALA  10           HA       ALA  10  15.738  15.470  -5.122
   57   1HB   ALA  10          1HB       ALA  10  18.694  14.689  -4.681
   58   2HB   ALA  10          2HB       ALA  10  17.289  14.018  -3.814
   59   3HB   ALA  10          3HB       ALA  10  17.715  15.726  -3.617
   60    H    THR  11           H        THR  11  18.378  15.624  -7.504
   61    HA   THR  11           HA       THR  11  18.634  18.620  -7.201
   62    HB   THR  11           HB       THR  11  20.411  18.457  -8.965
   63    HG1  THR  11           HG1      THR  11  19.616  16.592  -9.973
   64   1HG2  THR  11          1HG2      THR  11  20.902  16.547  -6.601
   65   2HG2  THR  11          2HG2      THR  11  22.138  17.326  -7.616
   66   3HG2  THR  11          3HG2      THR  11  21.094  18.317  -6.572
   67    H    ASN  12           H        ASN  12  17.135  16.411  -9.578
   68    HA   ASN  12           HA       ASN  12  16.873  18.569 -11.625
   69   1HB   ASN  12          1HB       ASN  12  17.405  16.206 -12.224
   70   2HB   ASN  12          2HB       ASN  12  15.845  15.680 -11.635
   71   1HD2  ASN  12          1HD2      ASN  12  17.396  17.749 -14.091
   72   2HD2  ASN  12          2HD2      ASN  12  16.031  17.582 -15.306
   73    HA   PRO  13           HA       PRO  13  12.748  19.907  -9.886
   74   1HB   PRO  13          2HB       PRO  13  12.558  21.210 -12.653
   75   2HB   PRO  13          1HB       PRO  13  12.149  21.892 -11.065
   76   1HG   PRO  13          1HG       PRO  13  14.508  22.550 -12.239
   77   2HG   PRO  13          2HG       PRO  13  14.485  22.187 -10.496
   78   1HD   PRO  13          2HD       PRO  13  15.367  20.343 -12.787
   79   2HD   PRO  13          1HD       PRO  13  16.133  20.628 -11.194
   80    H    ASP  14           H        ASP  14  12.880  18.512 -13.195
   81    HA   ASP  14           HA       ASP  14  10.016  17.850 -13.368
   82   1HB   ASP  14          1HB       ASP  14  12.393  16.634 -14.909
   83   2HB   ASP  14          2HB       ASP  14  10.713  16.275 -15.240
   84    H    CYS  15           H        CYS  15  12.818  15.847 -12.324
   85    HA   CYS  15           HA       CYS  15  11.177  13.452 -11.685
   86   1HB   CYS  15          1HB       CYS  15  14.063  14.232 -10.946
   87   2HB   CYS  15          2HB       CYS  15  13.296  12.730 -10.434
   88   1HN   NH2  16          1HN       NH2  16  12.899  15.672  -9.323
   89   2HN   NH2  16          2HN       NH2  16  11.605  15.447  -8.042
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  19.313   7.778 -16.491
    2   2H    GLY   1          2H        GLY   1  19.822   6.585 -15.467
    3   3H    GLY   1          3H        GLY   1  19.013   6.194 -16.853
    4   1HA   GLY   1          2HA       GLY   1  16.963   7.205 -16.068
    5   2HA   GLY   1          1HA       GLY   1  17.518   5.945 -14.970
    6    H    CYS   2           H        CYS   2  16.982   9.329 -15.357
    7    HA   CYS   2           HA       CYS   2  18.366  10.242 -12.898
    8   1HB   CYS   2          2HB       CYS   2  18.004  11.728 -14.898
    9   2HB   CYS   2          1HB       CYS   2  16.266  11.768 -14.555
   10    H    CYS   3           H        CYS   3  14.850   9.827 -13.653
   11    HA   CYS   3           HA       CYS   3  13.916  10.464 -10.942
   12   1HB   CYS   3          1HB       CYS   3  12.512   8.891 -13.193
   13   2HB   CYS   3          2HB       CYS   3  11.731   9.446 -11.713
   14    H    SER   4           H        SER   4  15.158   7.412 -12.201
   15    HA   SER   4           HA       SER   4  14.154   5.842  -9.798
   16   1HB   SER   4          2HB       SER   4  15.893   4.941 -12.179
   17   2HB   SER   4          1HB       SER   4  15.343   3.898 -10.864
   18    HG   SER   4           HG       SER   4  13.984   3.821 -12.653
   19    H    TYR   5           H        TYR   5  17.160   7.457 -10.799
   20    HA   TYR   5           HA       TYR   5  18.790   6.151  -8.628
   21   1HB   TYR   5          2HB       TYR   5  19.755   6.602 -10.862
   22   2HB   TYR   5          1HB       TYR   5  19.470   8.313 -10.685
   23    HD1  TYR   5           HD1      TYR   5  21.409   9.565 -10.136
   24    HD2  TYR   5           HD2      TYR   5  21.176   5.512  -8.709
   25    HE1  TYR   5           HE1      TYR   5  23.672   9.755  -9.213
   26    HE2  TYR   5           HE2      TYR   5  23.438   5.722  -7.774
   27    HH   TYR   5           HH       TYR   5  25.202   7.040  -7.482
   28    HA   PRO   6           HA       PRO   6  17.000   9.376  -5.870
   29   1HB   PRO   6          1HB       PRO   6  19.103   8.494  -3.850
   30   2HB   PRO   6          2HB       PRO   6  17.366   8.741  -3.638
   31   1HG   PRO   6          1HG       PRO   6  18.366   6.216  -3.944
   32   2HG   PRO   6          2HG       PRO   6  16.827   6.666  -4.713
   33   1HD   PRO   6          2HD       PRO   6  19.582   6.442  -6.031
   34   2HD   PRO   6          1HD       PRO   6  17.979   5.913  -6.622
   35    HA   PRO   7           HA       PRO   7  20.837  12.423  -5.213
   36   1HB   PRO   7          1HB       PRO   7  22.698  11.285  -7.352
   37   2HB   PRO   7          2HB       PRO   7  23.103  12.147  -5.855
   38   1HG   PRO   7          1HG       PRO   7  23.343   9.440  -5.970
   39   2HG   PRO   7          2HG       PRO   7  22.664  10.191  -4.506
   40   1HD   PRO   7          2HD       PRO   7  21.137   8.839  -6.800
   41   2HD   PRO   7          1HD       PRO   7  20.902   8.678  -5.042
   42    H    CYS   8           H        CYS   8  20.446  11.126  -8.555
   43    HA   CYS   8           HA       CYS   8  20.187  13.773  -9.839
   44   1HB   CYS   8          2HB       CYS   8  20.878  11.660 -11.040
   45   2HB   CYS   8          1HB       CYS   8  19.204  11.086 -10.972
   46    H    PHE   9           H        PHE   9  17.714  11.546  -8.502
   47    HA   PHE   9           HA       PHE   9  15.322  13.028  -9.297
   48   1HB   PHE   9          1HB       PHE   9  15.337  10.685  -8.397
   49   2HB   PHE   9          2HB       PHE   9  15.828  11.258  -6.830
   50    HD1  PHE   9           HD1      PHE   9  14.184  12.621  -5.400
   51    HD2  PHE   9           HD2      PHE   9  12.970  10.765  -9.086
   52    HE1  PHE   9           HE1      PHE   9  11.825  12.821  -4.740
   53    HE2  PHE   9           HE2      PHE   9  10.622  10.958  -8.403
   54    HZ   PHE   9           HZ       PHE   9  10.040  11.992  -6.235
   55    H    ALA  10           H        ALA  10  17.323  13.341  -6.320
   56    HA   ALA  10           HA       ALA  10  15.809  15.474  -5.074
   57   1HB   ALA  10          1HB       ALA  10  18.803  14.798  -4.736
   58   2HB   ALA  10          2HB       ALA  10  17.818  15.773  -3.620
   59   3HB   ALA  10          3HB       ALA  10  17.449  14.055  -3.847
   60    H    THR  11           H        THR  11  18.498  15.808  -7.416
   61    HA   THR  11           HA       THR  11  18.464  18.814  -7.115
   62    HB   THR  11           HB       THR  11  20.621  17.614  -7.215
   63    HG1  THR  11           HG1      THR  11  20.126  19.378  -9.360
   64   1HG2  THR  11          1HG2      THR  11  21.615  16.831  -9.341
   65   2HG2  THR  11          2HG2      THR  11  20.091  17.106 -10.219
   66   3HG2  THR  11          3HG2      THR  11  20.186  15.842  -8.969
   67    H    ASN  12           H        ASN  12  17.120  16.516  -9.454
   68    HA   ASN  12           HA       ASN  12  16.860  18.582 -11.602
   69   1HB   ASN  12          1HB       ASN  12  17.430  16.205 -12.101
   70   2HB   ASN  12          2HB       ASN  12  15.871  15.681 -11.504
   71   1HD2  ASN  12          1HD2      ASN  12  17.414  17.681 -14.024
   72   2HD2  ASN  12          2HD2      ASN  12  16.065  17.443 -15.245
   73    HA   PRO  13           HA       PRO  13  12.702  19.912  -9.934
   74   1HB   PRO  13          1HB       PRO  13  12.528  21.166 -12.723
   75   2HB   PRO  13          2HB       PRO  13  12.102  21.873 -11.151
   76   1HG   PRO  13          1HG       PRO  13  14.463  22.530 -12.322
   77   2HG   PRO  13          2HG       PRO  13  14.431  22.200 -10.573
   78   1HD   PRO  13          1HD       PRO  13  15.343  20.317 -12.821
   79   2HD   PRO  13          2HD       PRO  13  16.099  20.646 -11.232
   80    H    ASP  14           H        ASP  14  12.903  18.448 -13.206
   81    HA   ASP  14           HA       ASP  14  10.044  17.778 -13.425
   82   1HB   ASP  14          1HB       ASP  14  12.454  16.539 -14.894
   83   2HB   ASP  14          2HB       ASP  14  10.782  16.170 -15.252
   84    H    CYS  15           H        CYS  15  12.837  15.764 -12.324
   85    HA   CYS  15           HA       CYS  15  11.170  13.405 -11.662
   86   1HB   CYS  15          2HB       CYS  15  14.072  14.188 -10.981
   87   2HB   CYS  15          1HB       CYS  15  13.314  12.696 -10.439
   88   1HN   NH2  16          1HN       NH2  16  12.934  15.634  -9.336
   89   2HN   NH2  16          2HN       NH2  16  11.653  15.427  -8.039
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  18.965   6.186 -16.891
    2   2H    GLY   1          2H        GLY   1  19.792   6.564 -15.512
    3   3H    GLY   1          3H        GLY   1  19.285   7.765 -16.526
    4   1HA   GLY   1          2HA       GLY   1  16.934   7.216 -16.081
    5   2HA   GLY   1          1HA       GLY   1  17.487   5.945 -14.993
    6    H    CYS   2           H        CYS   2  16.988   9.337 -15.365
    7    HA   CYS   2           HA       CYS   2  18.403  10.226 -12.913
    8   1HB   CYS   2          2HB       CYS   2  18.054  11.715 -14.912
    9   2HB   CYS   2          1HB       CYS   2  16.318  11.778 -14.564
   10    H    CYS   3           H        CYS   3  14.874   9.868 -13.647
   11    HA   CYS   3           HA       CYS   3  13.963  10.528 -10.939
   12   1HB   CYS   3          1HB       CYS   3  12.526   8.942 -13.161
   13   2HB   CYS   3          2HB       CYS   3  11.763   9.535 -11.686
   14    H    SER   4           H        SER   4  15.133   7.436 -12.186
   15    HA   SER   4           HA       SER   4  14.154   5.928  -9.737
   16   1HB   SER   4          1HB       SER   4  14.091   4.861 -12.028
   17   2HB   SER   4          2HB       SER   4  15.857   4.920 -12.099
   18    HG   SER   4           HG       SER   4  15.047   2.952 -11.335
   19    H    TYR   5           H        TYR   5  17.125   7.554 -10.765
   20    HA   TYR   5           HA       TYR   5  18.824   6.165  -8.702
   21   1HB   TYR   5          1HB       TYR   5  19.725   6.699 -10.945
   22   2HB   TYR   5          2HB       TYR   5  19.450   8.405 -10.694
   23    HD1  TYR   5           HD1      TYR   5  21.088   5.737  -8.455
   24    HD2  TYR   5           HD2      TYR   5  21.596   9.384 -10.689
   25    HE1  TYR   5           HE1      TYR   5  23.411   5.894  -7.689
   26    HE2  TYR   5           HE2      TYR   5  23.925   9.509  -9.937
   27    HH   TYR   5           HH       TYR   5  25.306   7.047  -7.760
   28    HA   PRO   6           HA       PRO   6  17.152   9.166  -5.657
   29   1HB   PRO   6          2HB       PRO   6  19.602   8.378  -4.004
   30   2HB   PRO   6          1HB       PRO   6  17.915   8.556  -3.492
   31   1HG   PRO   6          1HG       PRO   6  18.907   6.078  -4.022
   32   2HG   PRO   6          2HG       PRO   6  17.269   6.499  -4.573
   33   1HD   PRO   6          1HD       PRO   6  19.836   6.389  -6.234
   34   2HD   PRO   6          2HD       PRO   6  18.181   5.849  -6.644
   35    HA   PRO   7           HA       PRO   7  20.482  12.624  -5.148
   36   1HB   PRO   7          1HB       PRO   7  22.901  12.554  -6.508
   37   2HB   PRO   7          2HB       PRO   7  22.630  11.869  -4.897
   38   1HG   PRO   7          2HG       PRO   7  22.585  10.418  -7.575
   39   2HG   PRO   7          1HG       PRO   7  23.448   9.930  -6.101
   40   1HD   PRO   7          1HD       PRO   7  21.012   8.851  -6.791
   41   2HD   PRO   7          2HD       PRO   7  21.423   9.120  -5.073
   42    H    CYS   8           H        CYS   8  20.449  11.234  -8.469
   43    HA   CYS   8           HA       CYS   8  20.109  13.828  -9.850
   44   1HB   CYS   8          2HB       CYS   8  20.909  11.674 -10.952
   45   2HB   CYS   8          1HB       CYS   8  19.243  11.078 -10.931
   46    H    PHE   9           H        PHE   9  17.726  11.541  -8.460
   47    HA   PHE   9           HA       PHE   9  15.286  12.949  -9.299
   48   1HB   PHE   9          1HB       PHE   9  15.305  10.614  -8.427
   49   2HB   PHE   9          2HB       PHE   9  15.832  11.154  -6.859
   50    HD1  PHE   9           HD1      PHE   9  12.915  10.839  -9.120
   51    HD2  PHE   9           HD2      PHE   9  14.227  12.385  -5.326
   52    HE1  PHE   9           HE1      PHE   9  10.582  11.059  -8.396
   53    HE2  PHE   9           HE2      PHE   9  11.883  12.610  -4.622
   54    HZ   PHE   9           HZ       PHE   9  10.056  11.951  -6.152
   55    H    ALA  10           H        ALA  10  17.237  13.257  -6.281
   56    HA   ALA  10           HA       ALA  10  15.749  15.468  -5.111
   57   1HB   ALA  10          1HB       ALA  10  18.709  14.692  -4.688
   58   2HB   ALA  10          2HB       ALA  10  17.310  14.020  -3.811
   59   3HB   ALA  10          3HB       ALA  10  17.735  15.729  -3.619
   60    H    THR  11           H        THR  11  18.380  15.623  -7.504
   61    HA   THR  11           HA       THR  11  18.628  18.620  -7.208
   62    HB   THR  11           HB       THR  11  20.403  18.459  -8.975
   63    HG1  THR  11           HG1      THR  11  19.953  15.678  -8.710
   64   1HG2  THR  11          1HG2      THR  11  20.903  16.557  -6.607
   65   2HG2  THR  11          2HG2      THR  11  21.091  18.328  -6.584
   66   3HG2  THR  11          3HG2      THR  11  22.135  17.335  -7.627
   67    H    ASN  12           H        ASN  12  17.127  16.405  -9.576
   68    HA   ASN  12           HA       ASN  12  16.873  18.553 -11.634
   69   1HB   ASN  12          1HB       ASN  12  17.397  16.176 -12.208
   70   2HB   ASN  12          2HB       ASN  12  15.824  15.670 -11.635
   71   1HD2  ASN  12          1HD2      ASN  12  17.456  17.647 -14.101
   72   2HD2  ASN  12          2HD2      ASN  12  16.092  17.522 -15.323
   73    HA   PRO  13           HA       PRO  13  12.748  19.909  -9.908
   74   1HB   PRO  13          2HB       PRO  13  12.568  21.211 -12.675
   75   2HB   PRO  13          1HB       PRO  13  12.161  21.896 -11.088
   76   1HG   PRO  13          2HG       PRO  13  14.523  22.543 -12.262
   77   2HG   PRO  13          1HG       PRO  13  14.498  22.182 -10.519
   78   1HD   PRO  13          2HD       PRO  13  15.373  20.330 -12.806
   79   2HD   PRO  13          1HD       PRO  13  16.139  20.616 -11.213
   80    H    ASP  14           H        ASP  14  12.885  18.516 -13.210
   81    HA   ASP  14           HA       ASP  14  10.029  17.853 -13.395
   82   1HB   ASP  14          1HB       ASP  14  11.652  18.069 -15.350
   83   2HB   ASP  14          2HB       ASP  14  12.380  16.540 -14.899
   84    H    CYS  15           H        CYS  15  12.823  15.838 -12.337
   85    HA   CYS  15           HA       CYS  15  11.179  13.455 -11.674
   86   1HB   CYS  15          1HB       CYS  15  14.065  14.233 -10.930
   87   2HB   CYS  15          2HB       CYS  15  13.294  12.732 -10.420
   88   1HN   NH2  16          1HN       NH2  16  12.900  15.683  -9.316
   89   2HN   NH2  16          2HN       NH2  16  11.605  15.460  -8.036
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  15.706   6.771 -15.199
    2   2H    GLY   1          2H        GLY   1  16.406   5.451 -15.903
    3   3H    GLY   1          3H        GLY   1  16.483   5.652 -14.265
    4   1HA   GLY   1          2HA       GLY   1  18.630   6.189 -15.300
    5   2HA   GLY   1          1HA       GLY   1  17.810   7.378 -16.310
    6    H    CYS   2           H        CYS   2  17.185   9.334 -15.385
    7    HA   CYS   2           HA       CYS   2  18.572  10.224 -12.908
    8   1HB   CYS   2          2HB       CYS   2  18.325  11.709 -14.921
    9   2HB   CYS   2          1HB       CYS   2  16.578  11.807 -14.640
   10    H    CYS   3           H        CYS   3  15.067   9.923 -13.759
   11    HA   CYS   3           HA       CYS   3  14.063  10.523 -11.062
   12   1HB   CYS   3          1HB       CYS   3  12.715   8.986 -13.373
   13   2HB   CYS   3          2HB       CYS   3  11.899   9.521 -11.904
   14    H    SER   4           H        SER   4  15.370   7.509 -12.326
   15    HA   SER   4           HA       SER   4  14.297   5.881  -9.992
   16   1HB   SER   4          2HB       SER   4  16.157   5.044 -12.304
   17   2HB   SER   4          1HB       SER   4  15.544   3.973 -11.041
   18    HG   SER   4           HG       SER   4  13.965   5.483 -12.845
   19    H    TYR   5           H        TYR   5  17.308   7.563 -10.853
   20    HA   TYR   5           HA       TYR   5  18.901   6.171  -8.715
   21   1HB   TYR   5          1HB       TYR   5  19.893   6.710 -10.921
   22   2HB   TYR   5          2HB       TYR   5  19.620   8.416 -10.671
   23    HD1  TYR   5           HD1      TYR   5  21.150   5.728  -8.380
   24    HD2  TYR   5           HD2      TYR   5  21.774   9.374 -10.585
   25    HE1  TYR   5           HE1      TYR   5  23.442   5.865  -7.523
   26    HE2  TYR   5           HE2      TYR   5  24.073   9.479  -9.743
   27    HH   TYR   5           HH       TYR   5  25.616   8.531  -8.459
   28    HA   PRO   6           HA       PRO   6  17.144   9.151  -5.701
   29   1HB   PRO   6          1HB       PRO   6  19.553   8.335  -4.003
   30   2HB   PRO   6          2HB       PRO   6  17.859   8.543  -3.521
   31   1HG   PRO   6          2HG       PRO   6  18.798   6.053  -4.048
   32   2HG   PRO   6          1HG       PRO   6  17.189   6.513  -4.646
   33   1HD   PRO   6          2HD       PRO   6  19.810   6.359  -6.220
   34   2HD   PRO   6          1HD       PRO   6  18.160   5.850  -6.690
   35    HA   PRO   7           HA       PRO   7  20.453  12.613  -5.086
   36   1HB   PRO   7          1HB       PRO   7  22.912  12.550  -6.375
   37   2HB   PRO   7          2HB       PRO   7  22.594  11.859  -4.774
   38   1HG   PRO   7          2HG       PRO   7  22.629  10.418  -7.458
   39   2HG   PRO   7          1HG       PRO   7  23.450   9.926  -5.961
   40   1HD   PRO   7          1HD       PRO   7  21.036   8.845  -6.724
   41   2HD   PRO   7          2HD       PRO   7  21.397   9.112  -4.994
   42    H    CYS   8           H        CYS   8  20.533  11.237  -8.412
   43    HA   CYS   8           HA       CYS   8  20.244  13.820  -9.811
   44   1HB   CYS   8          2HB       CYS   8  21.039  11.643 -10.875
   45   2HB   CYS   8          1HB       CYS   8  19.361  11.079 -10.901
   46    H    PHE   9           H        PHE   9  17.799  11.535  -8.529
   47    HA   PHE   9           HA       PHE   9  15.389  12.970  -9.382
   48   1HB   PHE   9          1HB       PHE   9  15.399  10.622  -8.536
   49   2HB   PHE   9          2HB       PHE   9  15.891  11.147  -6.953
   50    HD1  PHE   9           HD1      PHE   9  14.248  12.413  -5.459
   51    HD2  PHE   9           HD2      PHE   9  13.023  10.763  -9.239
   52    HE1  PHE   9           HE1      PHE   9  11.890  12.596  -4.790
   53    HE2  PHE   9           HE2      PHE   9  10.677  10.940  -8.549
   54    HZ   PHE   9           HZ       PHE   9  10.100  11.863  -6.330
   55    H    ALA  10           H        ALA  10  17.312  13.262  -6.350
   56    HA   ALA  10           HA       ALA  10  15.728  15.339  -5.103
   57   1HB   ALA  10          1HB       ALA  10  18.727  14.720  -4.701
   58   2HB   ALA  10          2HB       ALA  10  17.367  13.925  -3.867
   59   3HB   ALA  10          3HB       ALA  10  17.690  15.644  -3.589
   60    H    THR  11           H        THR  11  18.448  15.786  -7.388
   61    HA   THR  11           HA       THR  11  18.364  18.780  -6.996
   62    HB   THR  11           HB       THR  11  20.540  17.601  -7.113
   63    HG1  THR  11           HG1      THR  11  20.261  19.769  -7.626
   64   1HG2  THR  11          1HG2      THR  11  20.134  15.910  -8.965
   65   2HG2  THR  11          2HG2      THR  11  21.568  16.920  -9.251
   66   3HG2  THR  11          3HG2      THR  11  20.064  17.238 -10.146
   67    H    ASN  12           H        ASN  12  17.088  16.535  -9.423
   68    HA   ASN  12           HA       ASN  12  16.848  18.652 -11.517
   69   1HB   ASN  12          1HB       ASN  12  17.451  16.286 -12.050
   70   2HB   ASN  12          2HB       ASN  12  15.875  15.744 -11.520
   71   1HD2  ASN  12          1HD2      ASN  12  17.533  17.737 -13.955
   72   2HD2  ASN  12          2HD2      ASN  12  16.210  17.570 -15.216
   73    HA   PRO  13           HA       PRO  13  12.646  19.910  -9.909
   74   1HB   PRO  13          1HB       PRO  13  12.509  21.217 -12.676
   75   2HB   PRO  13          2HB       PRO  13  12.048  21.889 -11.098
   76   1HG   PRO  13          2HG       PRO  13  14.425  22.589 -12.212
   77   2HG   PRO  13          1HG       PRO  13  14.363  22.225 -10.471
   78   1HD   PRO  13          2HD       PRO  13  15.335  20.396 -12.737
   79   2HD   PRO  13          1HD       PRO  13  16.056  20.698 -11.127
   80    H    ASP  14           H        ASP  14  12.907  18.530 -13.209
   81    HA   ASP  14           HA       ASP  14  10.070  17.809 -13.472
   82   1HB   ASP  14          1HB       ASP  14  11.731  18.080 -15.386
   83   2HB   ASP  14          2HB       ASP  14  12.486  16.565 -14.930
   84    H    CYS  15           H        CYS  15  12.884  15.847 -12.371
   85    HA   CYS  15           HA       CYS  15  11.274  13.423 -11.771
   86   1HB   CYS  15          1HB       CYS  15  14.133  14.238 -10.969
   87   2HB   CYS  15          2HB       CYS  15  13.382  12.713 -10.505
   88   1HN   NH2  16          1HN       NH2  16  12.923  15.645  -9.357
   89   2HN   NH2  16          2HN       NH2  16  11.614  15.380  -8.098
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  16.622   5.705 -14.281
    2   2H    GLY   1          2H        GLY   1  16.558   5.511 -15.920
    3   3H    GLY   1          3H        GLY   1  15.803   6.798 -15.210
    4   1HA   GLY   1          2HA       GLY   1  18.748   6.336 -15.306
    5   2HA   GLY   1          1HA       GLY   1  17.884   7.498 -16.311
    6    H    CYS   2           H        CYS   2  17.175   9.420 -15.374
    7    HA   CYS   2           HA       CYS   2  18.523  10.351 -12.894
    8   1HB   CYS   2          1HB       CYS   2  18.213  11.842 -14.888
    9   2HB   CYS   2          2HB       CYS   2  16.464  11.860 -14.605
   10    H    CYS   3           H        CYS   3  15.033   9.912 -13.738
   11    HA   CYS   3           HA       CYS   3  14.023  10.463 -11.028
   12   1HB   CYS   3          1HB       CYS   3  12.702   8.924 -13.353
   13   2HB   CYS   3          2HB       CYS   3  11.880   9.427 -11.877
   14    H    SER   4           H        SER   4  15.415   7.506 -12.328
   15    HA   SER   4           HA       SER   4  14.365   5.809 -10.034
   16   1HB   SER   4          2HB       SER   4  16.263   5.059 -12.344
   17   2HB   SER   4          1HB       SER   4  15.667   3.952 -11.106
   18    HG   SER   4           HG       SER   4  14.426   3.900 -12.979
   19    H    TYR   5           H        TYR   5  17.356   7.546 -10.867
   20    HA   TYR   5           HA       TYR   5  18.941   6.224  -8.665
   21   1HB   TYR   5          1HB       TYR   5  19.980   6.726 -10.857
   22   2HB   TYR   5          2HB       TYR   5  19.651   8.429 -10.676
   23    HD1  TYR   5           HD1      TYR   5  21.541   9.716 -10.050
   24    HD2  TYR   5           HD2      TYR   5  21.346   5.647  -8.664
   25    HE1  TYR   5           HE1      TYR   5  23.768   9.945  -9.049
   26    HE2  TYR   5           HE2      TYR   5  23.570   5.895  -7.652
   27    HH   TYR   5           HH       TYR   5  25.378   8.961  -7.883
   28    HA   PRO   6           HA       PRO   6  17.003   9.350  -5.903
   29   1HB   PRO   6          1HB       PRO   6  19.083   8.478  -3.859
   30   2HB   PRO   6          2HB       PRO   6  17.339   8.705  -3.673
   31   1HG   PRO   6          2HG       PRO   6  18.353   6.199  -4.011
   32   2HG   PRO   6          1HG       PRO   6  16.838   6.654  -4.819
   33   1HD   PRO   6          2HD       PRO   6  19.643   6.478  -6.044
   34   2HD   PRO   6          1HD       PRO   6  18.068   5.937  -6.698
   35    HA   PRO   7           HA       PRO   7  20.725  12.506  -5.113
   36   1HB   PRO   7          1HB       PRO   7  22.677  11.451  -7.212
   37   2HB   PRO   7          2HB       PRO   7  23.015  12.306  -5.696
   38   1HG   PRO   7          1HG       PRO   7  23.342   9.610  -5.836
   39   2HG   PRO   7          2HG       PRO   7  22.601  10.320  -4.382
   40   1HD   PRO   7          1HD       PRO   7  21.177   8.954  -6.734
   41   2HD   PRO   7          2HD       PRO   7  20.903   8.760  -4.986
   42    H    CYS   8           H        CYS   8  20.455  11.231  -8.473
   43    HA   CYS   8           HA       CYS   8  20.132  13.891  -9.729
   44   1HB   CYS   8          2HB       CYS   8  20.954  11.810 -10.928
   45   2HB   CYS   8          1HB       CYS   8  19.298  11.185 -10.939
   46    H    PHE   9           H        PHE   9  17.731  11.591  -8.410
   47    HA   PHE   9           HA       PHE   9  15.305  12.986  -9.306
   48   1HB   PHE   9          1HB       PHE   9  15.355  10.641  -8.410
   49   2HB   PHE   9          2HB       PHE   9  15.773  11.224  -6.826
   50    HD1  PHE   9           HD1      PHE   9  14.043  12.553  -5.462
   51    HD2  PHE   9           HD2      PHE   9  13.016  10.667  -9.190
   52    HE1  PHE   9           HE1      PHE   9  11.656  12.706  -4.897
   53    HE2  PHE   9           HE2      PHE   9  10.639  10.814  -8.602
   54    HZ   PHE   9           HZ       PHE   9   9.949  11.839  -6.461
   55    H    ALA  10           H        ALA  10  17.167  13.294  -6.233
   56    HA   ALA  10           HA       ALA  10  15.657  15.515  -5.108
   57   1HB   ALA  10          1HB       ALA  10  17.171  14.059  -3.762
   58   2HB   ALA  10          2HB       ALA  10  17.604  15.765  -3.562
   59   3HB   ALA  10          3HB       ALA  10  18.599  14.718  -4.601
   60    H    THR  11           H        THR  11  18.341  15.647  -7.442
   61    HA   THR  11           HA       THR  11  18.602  18.644  -7.147
   62    HB   THR  11           HB       THR  11  20.405  18.476  -8.878
   63    HG1  THR  11           HG1      THR  11  21.130  16.418  -9.413
   64   1HG2  THR  11          1HG2      THR  11  22.110  17.340  -7.506
   65   2HG2  THR  11          2HG2      THR  11  21.051  18.327  -6.473
   66   3HG2  THR  11          3HG2      THR  11  20.858  16.557  -6.514
   67    H    ASN  12           H        ASN  12  17.143  16.420  -9.537
   68    HA   ASN  12           HA       ASN  12  16.880  18.577 -11.588
   69   1HB   ASN  12          1HB       ASN  12  17.440  16.209 -12.174
   70   2HB   ASN  12          2HB       ASN  12  15.870  15.680 -11.616
   71   1HD2  ASN  12          1HD2      ASN  12  17.493  17.699 -14.055
   72   2HD2  ASN  12          2HD2      ASN  12  16.140  17.564 -15.288
   73    HA   PRO  13           HA       PRO  13  12.722  19.850  -9.872
   74   1HB   PRO  13          2HB       PRO  13  12.545  21.191 -12.621
   75   2HB   PRO  13          1HB       PRO  13  12.117  21.847 -11.027
   76   1HG   PRO  13          1HG       PRO  13  14.479  22.544 -12.174
   77   2HG   PRO  13          2HG       PRO  13  14.446  22.158 -10.437
   78   1HD   PRO  13          1HD       PRO  13  15.363  20.351 -12.743
   79   2HD   PRO  13          2HD       PRO  13  16.115  20.626 -11.143
   80    H    ASP  14           H        ASP  14  12.913  18.505 -13.192
   81    HA   ASP  14           HA       ASP  14  10.069  17.817 -13.423
   82   1HB   ASP  14          1HB       ASP  14  11.715  18.078 -15.352
   83   2HB   ASP  14          2HB       ASP  14  12.450  16.548 -14.915
   84    H    CYS  15           H        CYS  15  12.865  15.806 -12.362
   85    HA   CYS  15           HA       CYS  15  11.226  13.404 -11.752
   86   1HB   CYS  15          1HB       CYS  15  14.102  14.181 -10.969
   87   2HB   CYS  15          2HB       CYS  15  13.332  12.665 -10.496
   88   1HN   NH2  16          1HN       NH2  16  12.913  15.614  -9.353
   89   2HN   NH2  16          2HN       NH2  16  11.609  15.366  -8.085
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  15.710   6.780 -15.224
    2   2H    GLY   1          2H        GLY   1  16.472   5.656 -14.282
    3   3H    GLY   1          3H        GLY   1  16.413   5.457 -15.921
    4   1HA   GLY   1          2HA       GLY   1  18.632   6.185 -15.292
    5   2HA   GLY   1          1HA       GLY   1  17.830   7.378 -16.311
    6    H    CYS   2           H        CYS   2  17.194   9.334 -15.390
    7    HA   CYS   2           HA       CYS   2  18.570  10.225 -12.908
    8   1HB   CYS   2          2HB       CYS   2  18.324  11.708 -14.924
    9   2HB   CYS   2          1HB       CYS   2  16.577  11.805 -14.644
   10    H    CYS   3           H        CYS   3  15.067   9.917 -13.764
   11    HA   CYS   3           HA       CYS   3  14.060  10.520 -11.067
   12   1HB   CYS   3          1HB       CYS   3  12.714   8.985 -13.380
   13   2HB   CYS   3          2HB       CYS   3  11.897   9.517 -11.912
   14    H    SER   4           H        SER   4  15.358   7.488 -12.336
   15    HA   SER   4           HA       SER   4  14.294   5.871 -10.003
   16   1HB   SER   4          1HB       SER   4  16.162   5.078 -12.319
   17   2HB   SER   4          2HB       SER   4  15.573   3.988 -11.066
   18    HG   SER   4           HG       SER   4  13.446   4.498 -11.702
   19    H    TYR   5           H        TYR   5  17.313   7.554 -10.856
   20    HA   TYR   5           HA       TYR   5  18.897   6.179  -8.710
   21   1HB   TYR   5          2HB       TYR   5  19.881   6.728 -10.916
   22   2HB   TYR   5          1HB       TYR   5  19.606   8.430 -10.652
   23    HD1  TYR   5           HD1      TYR   5  21.132   5.786  -8.311
   24    HD2  TYR   5           HD2      TYR   5  21.782   9.352 -10.640
   25    HE1  TYR   5           HE1      TYR   5  23.429   5.928  -7.471
   26    HE2  TYR   5           HE2      TYR   5  24.086   9.457  -9.816
   27    HH   TYR   5           HH       TYR   5  25.628   8.533  -8.514
   28    HA   PRO   6           HA       PRO   6  17.140   9.177  -5.696
   29   1HB   PRO   6          1HB       PRO   6  19.548   8.358  -3.995
   30   2HB   PRO   6          2HB       PRO   6  17.854   8.555  -3.514
   31   1HG   PRO   6          1HG       PRO   6  18.820   6.066  -4.031
   32   2HG   PRO   6          2HG       PRO   6  17.202   6.511  -4.620
   33   1HD   PRO   6          2HD       PRO   6  19.808   6.375  -6.217
   34   2HD   PRO   6          1HD       PRO   6  18.158   5.856  -6.673
   35    HA   PRO   7           HA       PRO   7  20.505  12.600  -5.093
   36   1HB   PRO   7          2HB       PRO   7  22.932  12.518  -6.439
   37   2HB   PRO   7          1HB       PRO   7  22.642  11.806  -4.844
   38   1HG   PRO   7          2HG       PRO   7  22.586  10.391  -7.532
   39   2HG   PRO   7          1HG       PRO   7  23.449   9.885  -6.062
   40   1HD   PRO   7          2HD       PRO   7  21.009   8.826  -6.744
   41   2HD   PRO   7          1HD       PRO   7  21.412   9.101  -5.026
   42    H    CYS   8           H        CYS   8  20.575  11.251  -8.427
   43    HA   CYS   8           HA       CYS   8  20.247  13.825  -9.819
   44   1HB   CYS   8          1HB       CYS   8  21.040  11.647 -10.885
   45   2HB   CYS   8          2HB       CYS   8  19.362  11.084 -10.906
   46    H    PHE   9           H        PHE   9  17.809  11.538  -8.528
   47    HA   PHE   9           HA       PHE   9  15.394  12.966  -9.382
   48   1HB   PHE   9          1HB       PHE   9  15.410  10.619  -8.534
   49   2HB   PHE   9          2HB       PHE   9  15.903  11.146  -6.952
   50    HD1  PHE   9           HD1      PHE   9  14.260  12.401  -5.454
   51    HD2  PHE   9           HD2      PHE   9  13.033  10.763  -9.238
   52    HE1  PHE   9           HE1      PHE   9  11.903  12.582  -4.782
   53    HE2  PHE   9           HE2      PHE   9  10.687  10.938  -8.545
   54    HZ   PHE   9           HZ       PHE   9  10.112  11.854  -6.323
   55    H    ALA  10           H        ALA  10  17.311  13.263  -6.347
   56    HA   ALA  10           HA       ALA  10  15.721  15.339  -5.106
   57   1HB   ALA  10          1HB       ALA  10  17.677  15.646  -3.585
   58   2HB   ALA  10          2HB       ALA  10  18.719  14.721  -4.693
   59   3HB   ALA  10          3HB       ALA  10  17.357  13.926  -3.864
   60    H    THR  11           H        THR  11  18.446  15.787  -7.383
   61    HA   THR  11           HA       THR  11  18.360  18.781  -6.991
   62    HB   THR  11           HB       THR  11  20.537  17.605  -7.103
   63    HG1  THR  11           HG1      THR  11  21.443  19.121  -8.474
   64   1HG2  THR  11          1HG2      THR  11  20.066  17.235 -10.136
   65   2HG2  THR  11          2HG2      THR  11  20.138  15.910  -8.951
   66   3HG2  THR  11          3HG2      THR  11  21.571  16.922  -9.239
   67    H    ASN  12           H        ASN  12  17.088  16.535  -9.419
   68    HA   ASN  12           HA       ASN  12  16.848  18.654 -11.513
   69   1HB   ASN  12          1HB       ASN  12  17.452  16.288 -12.048
   70   2HB   ASN  12          2HB       ASN  12  15.876  15.745 -11.519
   71   1HD2  ASN  12          1HD2      ASN  12  17.536  17.738 -13.952
   72   2HD2  ASN  12          2HD2      ASN  12  16.214  17.573 -15.214
   73    HA   PRO  13           HA       PRO  13  12.645  19.907  -9.904
   74   1HB   PRO  13          1HB       PRO  13  12.507  21.216 -12.670
   75   2HB   PRO  13          2HB       PRO  13  12.045  21.885 -11.091
   76   1HG   PRO  13          2HG       PRO  13  14.421  22.589 -12.204
   77   2HG   PRO  13          1HG       PRO  13  14.359  22.223 -10.464
   78   1HD   PRO  13          2HD       PRO  13  15.333  20.398 -12.732
   79   2HD   PRO  13          1HD       PRO  13  16.054  20.699 -11.121
   80    H    ASP  14           H        ASP  14  12.906  18.529 -13.207
   81    HA   ASP  14           HA       ASP  14  10.068  17.806 -13.464
   82   1HB   ASP  14          2HB       ASP  14  11.706  18.099 -15.386
   83   2HB   ASP  14          1HB       ASP  14  12.489  16.595 -14.938
   84    H    CYS  15           H        CYS  15  12.888  15.854 -12.351
   85    HA   CYS  15           HA       CYS  15  11.278  13.421 -11.774
   86   1HB   CYS  15          1HB       CYS  15  14.137  14.233 -10.971
   87   2HB   CYS  15          2HB       CYS  15  13.385  12.708 -10.508
   88   1HN   NH2  16          1HN       NH2  16  12.925  15.638  -9.355
   89   2HN   NH2  16          2HN       NH2  16  11.616  15.370  -8.097
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  15.740   6.802 -15.205
    2   2H    GLY   1          2H        GLY   1  16.531   5.689 -14.276
    3   3H    GLY   1          3H        GLY   1  16.456   5.494 -15.915
    4   1HA   GLY   1          2HA       GLY   1  18.671   6.256 -15.309
    5   2HA   GLY   1          1HA       GLY   1  17.837   7.440 -16.315
    6    H    CYS   2           H        CYS   2  17.189   9.384 -15.382
    7    HA   CYS   2           HA       CYS   2  18.566  10.281 -12.902
    8   1HB   CYS   2          2HB       CYS   2  18.301  11.772 -14.908
    9   2HB   CYS   2          1HB       CYS   2  16.552  11.845 -14.629
   10    H    CYS   3           H        CYS   3  15.064   9.940 -13.751
   11    HA   CYS   3           HA       CYS   3  14.058  10.523 -11.050
   12   1HB   CYS   3          1HB       CYS   3  12.718   8.986 -13.364
   13   2HB   CYS   3          2HB       CYS   3  11.900   9.514 -11.894
   14    H    SER   4           H        SER   4  15.384   7.524 -12.330
   15    HA   SER   4           HA       SER   4  14.327   5.880  -9.999
   16   1HB   SER   4          2HB       SER   4  16.186   5.063 -12.319
   17   2HB   SER   4          1HB       SER   4  15.585   3.984 -11.058
   18    HG   SER   4           HG       SER   4  13.989   5.490 -12.851
   19    H    TYR   5           H        TYR   5  17.317   7.597 -10.851
   20    HA   TYR   5           HA       TYR   5  18.930   6.209  -8.725
   21   1HB   TYR   5          1HB       TYR   5  19.915   6.779 -10.926
   22   2HB   TYR   5          2HB       TYR   5  19.616   8.478 -10.664
   23    HD1  TYR   5           HD1      TYR   5  21.174   5.846  -8.329
   24    HD2  TYR   5           HD2      TYR   5  21.775   9.433 -10.638
   25    HE1  TYR   5           HE1      TYR   5  23.469   6.016  -7.487
   26    HE2  TYR   5           HE2      TYR   5  24.078   9.566  -9.813
   27    HH   TYR   5           HH       TYR   5  25.373   7.155  -7.529
   28    HA   PRO   6           HA       PRO   6  17.137   9.172  -5.698
   29   1HB   PRO   6          1HB       PRO   6  19.552   8.371  -3.998
   30   2HB   PRO   6          2HB       PRO   6  17.855   8.547  -3.519
   31   1HG   PRO   6          1HG       PRO   6  18.851   6.072  -4.047
   32   2HG   PRO   6          2HG       PRO   6  17.228   6.501  -4.637
   33   1HD   PRO   6          2HD       PRO   6  19.838   6.404  -6.230
   34   2HD   PRO   6          1HD       PRO   6  18.194   5.868  -6.691
   35    HA   PRO   7           HA       PRO   7  20.460  12.632  -5.073
   36   1HB   PRO   7          2HB       PRO   7  22.890  12.585  -6.414
   37   2HB   PRO   7          1HB       PRO   7  22.606  11.861  -4.823
   38   1HG   PRO   7          2HG       PRO   7  22.570  10.460  -7.518
   39   2HG   PRO   7          1HG       PRO   7  23.438   9.956  -6.051
   40   1HD   PRO   7          2HD       PRO   7  21.012   8.872  -6.740
   41   2HD   PRO   7          1HD       PRO   7  21.409   9.144  -5.020
   42    H    CYS   8           H        CYS   8  20.534  11.295  -8.409
   43    HA   CYS   8           HA       CYS   8  20.164  13.885  -9.778
   44   1HB   CYS   8          2HB       CYS   8  21.014  11.733 -10.864
   45   2HB   CYS   8          1HB       CYS   8  19.349  11.134 -10.900
   46    H    PHE   9           H        PHE   9  17.780  11.566  -8.452
   47    HA   PHE   9           HA       PHE   9  15.342  12.943  -9.349
   48   1HB   PHE   9          1HB       PHE   9  15.377  10.602  -8.490
   49   2HB   PHE   9          2HB       PHE   9  15.849  11.141  -6.905
   50    HD1  PHE   9           HD1      PHE   9  14.179  12.372  -5.424
   51    HD2  PHE   9           HD2      PHE   9  13.006  10.750  -9.233
   52    HE1  PHE   9           HE1      PHE   9  11.812  12.545  -4.785
   53    HE2  PHE   9           HE2      PHE   9  10.650  10.917  -8.572
   54    HZ   PHE   9           HZ       PHE   9  10.043  11.821  -6.353
   55    H    ALA  10           H        ALA  10  17.200  13.248  -6.272
   56    HA   ALA  10           HA       ALA  10  15.654  15.433  -5.129
   57   1HB   ALA  10          1HB       ALA  10  18.608  14.681  -4.622
   58   2HB   ALA  10          2HB       ALA  10  17.189  13.987  -3.796
   59   3HB   ALA  10          3HB       ALA  10  17.591  15.698  -3.573
   60    H    THR  11           H        THR  11  18.342  15.638  -7.451
   61    HA   THR  11           HA       THR  11  18.558  18.634  -7.118
   62    HB   THR  11           HB       THR  11  20.370  18.507  -8.850
   63    HG1  THR  11           HG1      THR  11  19.941  15.719  -8.621
   64   1HG2  THR  11          1HG2      THR  11  20.840  16.585  -6.492
   65   2HG2  THR  11          2HG2      THR  11  22.085  17.386  -7.478
   66   3HG2  THR  11          3HG2      THR  11  21.011  18.357  -6.446
   67    H    ASN  12           H        ASN  12  17.124  16.426  -9.535
   68    HA   ASN  12           HA       ASN  12  16.871  18.597 -11.571
   69   1HB   ASN  12          1HB       ASN  12  17.435  16.236 -12.171
   70   2HB   ASN  12          2HB       ASN  12  15.863  15.700 -11.624
   71   1HD2  ASN  12          1HD2      ASN  12  17.496  17.733 -14.043
   72   2HD2  ASN  12          2HD2      ASN  12  16.149  17.607 -15.282
   73    HA   PRO  13           HA       PRO  13  12.708  19.870  -9.870
   74   1HB   PRO  13          2HB       PRO  13  12.541  21.215 -12.617
   75   2HB   PRO  13          1HB       PRO  13  12.107  21.868 -11.024
   76   1HG   PRO  13          1HG       PRO  13  14.474  22.565 -12.160
   77   2HG   PRO  13          2HG       PRO  13  14.434  22.175 -10.423
   78   1HD   PRO  13          1HD       PRO  13  15.360  20.374 -12.730
   79   2HD   PRO  13          2HD       PRO  13  16.104  20.643 -11.125
   80    H    ASP  14           H        ASP  14  12.902  18.534 -13.195
   81    HA   ASP  14           HA       ASP  14  10.056  17.834 -13.419
   82   1HB   ASP  14          2HB       ASP  14  11.674  18.125 -15.359
   83   2HB   ASP  14          1HB       ASP  14  12.448  16.611 -14.931
   84    H    CYS  15           H        CYS  15  12.870  15.854 -12.341
   85    HA   CYS  15           HA       CYS  15  11.254  13.427 -11.765
   86   1HB   CYS  15          1HB       CYS  15  14.112  14.236 -10.947
   87   2HB   CYS  15          2HB       CYS  15  13.355  12.709 -10.493
   88   1HN   NH2  16          1HN       NH2  16  12.896  15.639  -9.337
   89   2HN   NH2  16          2HN       NH2  16  11.582  15.373  -8.085
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  19.376   7.888 -16.480
    2   2H    GLY   1          2H        GLY   1  19.089   6.304 -16.855
    3   3H    GLY   1          3H        GLY   1  19.892   6.692 -15.463
    4   1HA   GLY   1          2HA       GLY   1  17.029   7.294 -16.067
    5   2HA   GLY   1          1HA       GLY   1  17.592   6.030 -14.977
    6    H    CYS   2           H        CYS   2  17.030   9.412 -15.341
    7    HA   CYS   2           HA       CYS   2  18.399  10.320 -12.871
    8   1HB   CYS   2          2HB       CYS   2  18.042  11.818 -14.856
    9   2HB   CYS   2          1HB       CYS   2  16.299  11.831 -14.539
   10    H    CYS   3           H        CYS   3  14.888   9.885 -13.642
   11    HA   CYS   3           HA       CYS   3  13.940  10.491 -10.928
   12   1HB   CYS   3          1HB       CYS   3  12.552   8.926 -13.195
   13   2HB   CYS   3          2HB       CYS   3  11.764   9.474 -11.716
   14    H    SER   4           H        SER   4  15.199   7.457 -12.219
   15    HA   SER   4           HA       SER   4  14.197   5.858  -9.833
   16   1HB   SER   4          2HB       SER   4  15.933   4.986 -12.226
   17   2HB   SER   4          1HB       SER   4  15.387   3.928 -10.922
   18    HG   SER   4           HG       SER   4  14.025   3.868 -12.708
   19    H    TYR   5           H        TYR   5  17.173   7.528 -10.790
   20    HA   TYR   5           HA       TYR   5  18.825   6.190  -8.643
   21   1HB   TYR   5          1HB       TYR   5  19.806   6.685 -10.862
   22   2HB   TYR   5          2HB       TYR   5  19.487   8.390 -10.675
   23    HD1  TYR   5           HD1      TYR   5  21.226   5.602  -8.708
   24    HD2  TYR   5           HD2      TYR   5  21.397   9.671 -10.097
   25    HE1  TYR   5           HE1      TYR   5  23.477   5.843  -7.755
   26    HE2  TYR   5           HE2      TYR   5  23.650   9.893  -9.156
   27    HH   TYR   5           HH       TYR   5  25.216   7.189  -7.439
   28    HA   PRO   6           HA       PRO   6  16.959   9.347  -5.858
   29   1HB   PRO   6          1HB       PRO   6  19.062   8.472  -3.835
   30   2HB   PRO   6          2HB       PRO   6  17.320   8.689  -3.630
   31   1HG   PRO   6          1HG       PRO   6  18.359   6.184  -3.964
   32   2HG   PRO   6          2HG       PRO   6  16.820   6.622  -4.738
   33   1HD   PRO   6          2HD       PRO   6  19.587   6.456  -6.038
   34   2HD   PRO   6          1HD       PRO   6  17.997   5.912  -6.649
   35    HA   PRO   7           HA       PRO   7  20.738  12.450  -5.136
   36   1HB   PRO   7          1HB       PRO   7  22.629  11.372  -7.279
   37   2HB   PRO   7          2HB       PRO   7  23.011  12.223  -5.771
   38   1HG   PRO   7          1HG       PRO   7  23.300   9.522  -5.915
   39   2HG   PRO   7          2HG       PRO   7  22.599  10.243  -4.447
   40   1HD   PRO   7          1HD       PRO   7  21.110   8.893  -6.766
   41   2HD   PRO   7          2HD       PRO   7  20.867   8.706  -5.012
   42    H    CYS   8           H        CYS   8  20.396  11.194  -8.500
   43    HA   CYS   8           HA       CYS   8  20.059  13.871  -9.725
   44   1HB   CYS   8          1HB       CYS   8  20.875  11.807 -10.956
   45   2HB   CYS   8          2HB       CYS   8  19.226  11.164 -10.940
   46    H    PHE   9           H        PHE   9  17.682  11.603  -8.334
   47    HA   PHE   9           HA       PHE   9  15.246  13.001  -9.222
   48   1HB   PHE   9          1HB       PHE   9  15.288  10.667  -8.288
   49   2HB   PHE   9          2HB       PHE   9  15.730  11.276  -6.720
   50    HD1  PHE   9           HD1      PHE   9  12.945  10.748  -9.071
   51    HD2  PHE   9           HD2      PHE   9  14.028  12.620  -5.352
   52    HE1  PHE   9           HE1      PHE   9  10.574  10.936  -8.467
   53    HE2  PHE   9           HE2      PHE   9  11.647  12.815  -4.772
   54    HZ   PHE   9           HZ       PHE   9   9.916  11.975  -6.323
   55    H    ALA  10           H        ALA  10  17.186  13.336  -6.200
   56    HA   ALA  10           HA       ALA  10  15.793  15.688  -5.145
   57   1HB   ALA  10          1HB       ALA  10  18.688  14.736  -4.635
   58   2HB   ALA  10          2HB       ALA  10  17.775  15.894  -3.639
   59   3HB   ALA  10          3HB       ALA  10  17.237  14.210  -3.744
   60    H    THR  11           H        THR  11  18.284  15.539  -7.643
   61    HA   THR  11           HA       THR  11  18.914  18.487  -7.429
   62    HB   THR  11           HB       THR  11  19.998  16.393  -9.402
   63    HG1  THR  11           HG1      THR  11  21.779  16.471  -8.026
   64   1HG2  THR  11          1HG2      THR  11  20.402  18.717 -10.275
   65   2HG2  THR  11          2HG2      THR  11  21.915  17.982  -9.709
   66   3HG2  THR  11          3HG2      THR  11  21.093  19.203  -8.705
   67    H    ASN  12           H        ASN  12  17.202  16.339  -9.771
   68    HA   ASN  12           HA       ASN  12  16.845  18.562 -11.717
   69   1HB   ASN  12          1HB       ASN  12  17.368  16.210 -12.391
   70   2HB   ASN  12          2HB       ASN  12  15.821  15.668 -11.783
   71   1HD2  ASN  12          1HD2      ASN  12  17.341  17.760 -14.229
   72   2HD2  ASN  12          2HD2      ASN  12  15.942  17.650 -15.412
   73    HA   PRO  13           HA       PRO  13  12.750  19.819  -9.837
   74   1HB   PRO  13          1HB       PRO  13  12.490  21.201 -12.558
   75   2HB   PRO  13          2HB       PRO  13  12.113  21.833 -10.942
   76   1HG   PRO  13          1HG       PRO  13  14.440  22.543 -12.149
   77   2HG   PRO  13          2HG       PRO  13  14.459  22.128 -10.418
   78   1HD   PRO  13          1HD       PRO  13  15.300  20.359 -12.782
   79   2HD   PRO  13          2HD       PRO  13  16.101  20.604 -11.200
   80    H    ASP  14           H        ASP  14  12.828  18.518 -13.179
   81    HA   ASP  14           HA       ASP  14   9.981  17.830 -13.334
   82   1HB   ASP  14          1HB       ASP  14  11.582  18.083 -15.304
   83   2HB   ASP  14          2HB       ASP  14  12.321  16.551 -14.883
   84    H    CYS  15           H        CYS  15  12.796  15.820 -12.325
   85    HA   CYS  15           HA       CYS  15  11.168  13.427 -11.651
   86   1HB   CYS  15          1HB       CYS  15  14.058  14.211 -10.932
   87   2HB   CYS  15          2HB       CYS  15  13.293  12.707 -10.417
   88   1HN   NH2  16          1HN       NH2  16  12.918  15.638  -9.302
   89   2HN   NH2  16          2HN       NH2  16  11.621  15.436  -8.020
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  19.433   7.579 -16.326
    2   2H    GLY   1          2H        GLY   1  19.032   6.016 -16.680
    3   3H    GLY   1          3H        GLY   1  19.771   6.375 -15.247
    4   1HA   GLY   1          1HA       GLY   1  17.021   7.205 -16.062
    5   2HA   GLY   1          2HA       GLY   1  17.395   5.932 -14.903
    6    H    CYS   2           H        CYS   2  17.060   9.311 -15.357
    7    HA   CYS   2           HA       CYS   2  18.387  10.242 -12.881
    8   1HB   CYS   2          2HB       CYS   2  18.081  11.711 -14.893
    9   2HB   CYS   2          1HB       CYS   2  16.331  11.744 -14.614
   10    H    CYS   3           H        CYS   3  14.883   9.838 -13.688
   11    HA   CYS   3           HA       CYS   3  13.904  10.444 -10.978
   12   1HB   CYS   3          1HB       CYS   3  12.549   8.885 -13.270
   13   2HB   CYS   3          2HB       CYS   3  11.743   9.408 -11.792
   14    H    SER   4           H        SER   4  15.245   7.458 -12.250
   15    HA   SER   4           HA       SER   4  14.237   5.814  -9.907
   16   1HB   SER   4          1HB       SER   4  15.343   3.904 -10.980
   17   2HB   SER   4          2HB       SER   4  14.275   4.721 -12.112
   18    HG   SER   4           HG       SER   4  17.092   5.057 -11.918
   19    H    TYR   5           H        TYR   5  17.210   7.525 -10.810
   20    HA   TYR   5           HA       TYR   5  18.838   6.215  -8.634
   21   1HB   TYR   5          1HB       TYR   5  19.832   6.698 -10.851
   22   2HB   TYR   5          2HB       TYR   5  19.513   8.404 -10.674
   23    HD1  TYR   5           HD1      TYR   5  21.234   5.626  -8.675
   24    HD2  TYR   5           HD2      TYR   5  21.428   9.681 -10.102
   25    HE1  TYR   5           HE1      TYR   5  23.481   5.868  -7.713
   26    HE2  TYR   5           HE2      TYR   5  23.677   9.903  -9.152
   27    HH   TYR   5           HH       TYR   5  25.305   8.918  -8.012
   28    HA   PRO   6           HA       PRO   6  16.963   9.384  -5.870
   29   1HB   PRO   6          1HB       PRO   6  19.070   8.530  -3.842
   30   2HB   PRO   6          2HB       PRO   6  17.327   8.742  -3.638
   31   1HG   PRO   6          1HG       PRO   6  18.375   6.238  -3.956
   32   2HG   PRO   6          2HG       PRO   6  16.833   6.666  -4.731
   33   1HD   PRO   6          1HD       PRO   6  19.600   6.499  -6.033
   34   2HD   PRO   6          2HD       PRO   6  18.009   5.948  -6.639
   35    HA   PRO   7           HA       PRO   7  20.728  12.508  -5.179
   36   1HB   PRO   7          1HB       PRO   7  22.626  11.417  -7.309
   37   2HB   PRO   7          2HB       PRO   7  23.003  12.285  -5.809
   38   1HG   PRO   7          1HG       PRO   7  23.304   9.585  -5.924
   39   2HG   PRO   7          2HG       PRO   7  22.597  10.318  -4.465
   40   1HD   PRO   7          1HD       PRO   7  21.117   8.937  -6.772
   41   2HD   PRO   7          2HD       PRO   7  20.874   8.767  -5.017
   42    H    CYS   8           H        CYS   8  20.394  11.218  -8.530
   43    HA   CYS   8           HA       CYS   8  20.072  13.873  -9.798
   44   1HB   CYS   8          1HB       CYS   8  20.858  11.773 -10.987
   45   2HB   CYS   8          2HB       CYS   8  19.201  11.151 -10.955
   46    H    PHE   9           H        PHE   9  17.672  11.618  -8.418
   47    HA   PHE   9           HA       PHE   9  15.246  13.052  -9.270
   48   1HB   PHE   9          1HB       PHE   9  15.291  10.699  -8.370
   49   2HB   PHE   9          2HB       PHE   9  15.728  11.288  -6.793
   50    HD1  PHE   9           HD1      PHE   9  12.953  10.710  -9.117
   51    HD2  PHE   9           HD2      PHE   9  14.017  12.678  -5.442
   52    HE1  PHE   9           HE1      PHE   9  10.581  10.877  -8.512
   53    HE2  PHE   9           HE2      PHE   9  11.635  12.851  -4.861
   54    HZ   PHE   9           HZ       PHE   9   9.913  11.952  -6.389
   55    H    ALA  10           H        ALA  10  17.187  13.315  -6.242
   56    HA   ALA  10           HA       ALA  10  15.798  15.637  -5.129
   57   1HB   ALA  10          1HB       ALA  10  17.776  15.794  -3.610
   58   2HB   ALA  10          2HB       ALA  10  18.693  14.670  -4.642
   59   3HB   ALA  10          3HB       ALA  10  17.240  14.114  -3.772
   60    H    THR  11           H        THR  11  18.271  15.574  -7.640
   61    HA   THR  11           HA       THR  11  18.921  18.509  -7.317
   62    HB   THR  11           HB       THR  11  19.979  16.472  -9.362
   63    HG1  THR  11           HG1      THR  11  20.489  16.051  -7.192
   64   1HG2  THR  11          1HG2      THR  11  21.885  18.074  -9.668
   65   2HG2  THR  11          2HG2      THR  11  20.360  18.814 -10.195
   66   3HG2  THR  11          3HG2      THR  11  21.075  19.271  -8.627
   67    H    ASN  12           H        ASN  12  17.307  16.446  -9.831
   68    HA   ASN  12           HA       ASN  12  16.861  18.799 -11.590
   69   1HB   ASN  12          2HB       ASN  12  16.071  15.844 -11.884
   70   2HB   ASN  12          1HB       ASN  12  15.676  17.059 -13.067
   71   1HD2  ASN  12          1HD2      ASN  12  17.331  17.931 -14.389
   72   2HD2  ASN  12          2HD2      ASN  12  18.995  17.161 -14.461
   73    HA   PRO  13           HA       PRO  13  12.704  19.737  -9.724
   74   1HB   PRO  13          2HB       PRO  13  12.398  21.240 -12.378
   75   2HB   PRO  13          1HB       PRO  13  11.960  21.767 -10.739
   76   1HG   PRO  13          2HG       PRO  13  14.266  22.661 -11.856
   77   2HG   PRO  13          1HG       PRO  13  14.280  22.149 -10.151
   78   1HD   PRO  13          2HD       PRO  13  15.258  20.571 -12.593
   79   2HD   PRO  13          1HD       PRO  13  16.007  20.754 -10.978
   80    H    ASP  14           H        ASP  14  12.846  18.549 -13.113
   81    HA   ASP  14           HA       ASP  14  10.015  17.824 -13.343
   82   1HB   ASP  14          2HB       ASP  14  12.479  16.758 -14.863
   83   2HB   ASP  14          1HB       ASP  14  10.834  16.305 -15.240
   84    H    CYS  15           H        CYS  15  12.834  15.818 -12.341
   85    HA   CYS  15           HA       CYS  15  11.182  13.415 -11.715
   86   1HB   CYS  15          1HB       CYS  15  14.091  14.158 -11.030
   87   2HB   CYS  15          2HB       CYS  15  13.314  12.665 -10.497
   88   1HN   NH2  16          1HN       NH2  16  12.976  15.590  -9.365
   89   2HN   NH2  16          2HN       NH2  16  11.687  15.394  -8.074
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  15.742   6.811 -15.228
    2   2H    GLY   1          2H        GLY   1  16.459   5.498 -15.929
    3   3H    GLY   1          3H        GLY   1  16.518   5.693 -14.290
    4   1HA   GLY   1          1HA       GLY   1  18.671   6.249 -15.300
    5   2HA   GLY   1          2HA       GLY   1  17.854   7.437 -16.314
    6    H    CYS   2           H        CYS   2  17.199   9.382 -15.386
    7    HA   CYS   2           HA       CYS   2  18.566  10.279 -12.902
    8   1HB   CYS   2          2HB       CYS   2  18.305  11.769 -14.910
    9   2HB   CYS   2          1HB       CYS   2  16.556  11.843 -14.634
   10    H    CYS   3           H        CYS   3  15.066   9.939 -13.757
   11    HA   CYS   3           HA       CYS   3  14.056  10.525 -11.058
   12   1HB   CYS   3          1HB       CYS   3  12.720   8.985 -13.374
   13   2HB   CYS   3          2HB       CYS   3  11.900   9.510 -11.905
   14    H    SER   4           H        SER   4  15.376   7.507 -12.339
   15    HA   SER   4           HA       SER   4  14.325   5.873 -10.012
   16   1HB   SER   4          1HB       SER   4  16.197   5.102 -12.333
   17   2HB   SER   4          2HB       SER   4  15.616   4.004 -11.084
   18    HG   SER   4           HG       SER   4  13.992   5.499 -12.858
   19    H    TYR   5           H        TYR   5  17.330   7.582 -10.857
   20    HA   TYR   5           HA       TYR   5  18.926   6.210  -8.715
   21   1HB   TYR   5          2HB       TYR   5  19.906   6.774 -10.919
   22   2HB   TYR   5          1HB       TYR   5  19.615   8.473 -10.652
   23    HD1  TYR   5           HD1      TYR   5  21.779   9.420 -10.632
   24    HD2  TYR   5           HD2      TYR   5  21.167   5.837  -8.319
   25    HE1  TYR   5           HE1      TYR   5  24.082   9.546  -9.808
   26    HE2  TYR   5           HE2      TYR   5  23.462   6.000  -7.478
   27    HH   TYR   5           HH       TYR   5  25.633   8.633  -8.509
   28    HA   PRO   6           HA       PRO   6  17.144   9.168  -5.677
   29   1HB   PRO   6          2HB       PRO   6  19.574   8.354  -4.008
   30   2HB   PRO   6          1HB       PRO   6  17.886   8.558  -3.504
   31   1HG   PRO   6          2HG       PRO   6  18.819   6.070  -4.047
   32   2HG   PRO   6          1HG       PRO   6  17.204   6.530  -4.630
   33   1HD   PRO   6          1HD       PRO   6  19.813   6.385  -6.225
   34   2HD   PRO   6          2HD       PRO   6  18.161   5.874  -6.686
   35    HA   PRO   7           HA       PRO   7  20.468  12.634  -5.075
   36   1HB   PRO   7          2HB       PRO   7  22.893  12.586  -6.424
   37   2HB   PRO   7          1HB       PRO   7  22.615  11.863  -4.832
   38   1HG   PRO   7          2HG       PRO   7  22.568  10.460  -7.527
   39   2HG   PRO   7          1HG       PRO   7  23.443   9.958  -6.063
   40   1HD   PRO   7          1HD       PRO   7  21.014   8.871  -6.738
   41   2HD   PRO   7          2HD       PRO   7  21.419   9.148  -5.020
   42    H    CYS   8           H        CYS   8  20.536  11.295  -8.411
   43    HA   CYS   8           HA       CYS   8  20.165  13.883  -9.781
   44   1HB   CYS   8          2HB       CYS   8  21.014  11.728 -10.864
   45   2HB   CYS   8          1HB       CYS   8  19.348  11.132 -10.901
   46    H    PHE   9           H        PHE   9  17.781  11.565  -8.455
   47    HA   PHE   9           HA       PHE   9  15.343  12.943  -9.351
   48   1HB   PHE   9          1HB       PHE   9  15.378  10.601  -8.494
   49   2HB   PHE   9          2HB       PHE   9  15.850  11.139  -6.909
   50    HD1  PHE   9           HD1      PHE   9  14.180  12.367  -5.427
   51    HD2  PHE   9           HD2      PHE   9  13.008  10.751  -9.238
   52    HE1  PHE   9           HE1      PHE   9  11.813  12.540  -4.787
   53    HE2  PHE   9           HE2      PHE   9  10.651  10.918  -8.577
   54    HZ   PHE   9           HZ       PHE   9  10.045  11.819  -6.356
   55    H    ALA  10           H        ALA  10  17.200  13.245  -6.274
   56    HA   ALA  10           HA       ALA  10  15.655  15.430  -5.130
   57   1HB   ALA  10          1HB       ALA  10  17.190  13.982  -3.798
   58   2HB   ALA  10          2HB       ALA  10  17.592  15.693  -3.574
   59   3HB   ALA  10          3HB       ALA  10  18.609  14.677  -4.623
   60    H    THR  11           H        THR  11  18.341  15.636  -7.452
   61    HA   THR  11           HA       THR  11  18.559  18.632  -7.117
   62    HB   THR  11           HB       THR  11  20.369  18.506  -8.851
   63    HG1  THR  11           HG1      THR  11  19.940  15.718  -8.623
   64   1HG2  THR  11          1HG2      THR  11  21.012  18.355  -6.448
   65   2HG2  THR  11          2HG2      THR  11  22.086  17.384  -7.481
   66   3HG2  THR  11          3HG2      THR  11  20.841  16.583  -6.494
   67    H    ASN  12           H        ASN  12  17.125  16.427  -9.536
   68    HA   ASN  12           HA       ASN  12  16.869  18.600 -11.569
   69   1HB   ASN  12          1HB       ASN  12  17.435  16.240 -12.172
   70   2HB   ASN  12          2HB       ASN  12  15.864  15.703 -11.626
   71   1HD2  ASN  12          1HD2      ASN  12  17.495  17.741 -14.041
   72   2HD2  ASN  12          2HD2      ASN  12  16.148  17.616 -15.281
   73    HA   PRO  13           HA       PRO  13  12.705  19.866  -9.865
   74   1HB   PRO  13          1HB       PRO  13  12.537  21.217 -12.609
   75   2HB   PRO  13          2HB       PRO  13  12.103  21.866 -11.014
   76   1HG   PRO  13          1HG       PRO  13  14.469  22.568 -12.149
   77   2HG   PRO  13          2HG       PRO  13  14.429  22.174 -10.413
   78   1HD   PRO  13          1HD       PRO  13  15.356  20.378 -12.724
   79   2HD   PRO  13          2HD       PRO  13  16.101  20.645 -11.119
   80    H    ASP  14           H        ASP  14  12.900  18.537 -13.193
   81    HA   ASP  14           HA       ASP  14  10.055  17.835 -13.418
   82   1HB   ASP  14          2HB       ASP  14  11.674  18.130 -15.357
   83   2HB   ASP  14          1HB       ASP  14  12.448  16.616 -14.932
   84    H    CYS  15           H        CYS  15  12.870  15.855 -12.343
   85    HA   CYS  15           HA       CYS  15  11.255  13.427 -11.771
   86   1HB   CYS  15          1HB       CYS  15  14.113  14.234 -10.954
   87   2HB   CYS  15          2HB       CYS  15  13.357  12.707 -10.500
   88   1HN   NH2  16          1HN       NH2  16  12.898  15.634  -9.340
   89   2HN   NH2  16          2HN       NH2  16  11.585  15.367  -8.088
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  18.940   5.949 -16.699
    2   2H    GLY   1          2H        GLY   1  19.698   6.291 -15.272
    3   3H    GLY   1          3H        GLY   1  19.386   7.502 -16.352
    4   1HA   GLY   1          1HA       GLY   1  16.967   7.194 -16.072
    5   2HA   GLY   1          2HA       GLY   1  17.313   5.914 -14.913
    6    H    CYS   2           H        CYS   2  17.071   9.301 -15.373
    7    HA   CYS   2           HA       CYS   2  18.436  10.198 -12.905
    8   1HB   CYS   2          1HB       CYS   2  18.167  11.664 -14.924
    9   2HB   CYS   2          2HB       CYS   2  16.424  11.762 -14.622
   10    H    CYS   3           H        CYS   3  14.914   9.914 -13.698
   11    HA   CYS   3           HA       CYS   3  13.965  10.534 -10.983
   12   1HB   CYS   3          1HB       CYS   3  12.557   9.004 -13.262
   13   2HB   CYS   3          2HB       CYS   3  11.775   9.559 -11.783
   14    H    SER   4           H        SER   4  15.239   7.519 -12.250
   15    HA   SER   4           HA       SER   4  14.202   5.905  -9.897
   16   1HB   SER   4          1HB       SER   4  15.273   3.970 -10.959
   17   2HB   SER   4          2HB       SER   4  14.220   4.799 -12.097
   18    HG   SER   4           HG       SER   4  16.088   5.841 -12.938
   19    H    TYR   5           H        TYR   5  17.208   7.563 -10.807
   20    HA   TYR   5           HA       TYR   5  18.823   6.188  -8.683
   21   1HB   TYR   5          2HB       TYR   5  19.769   6.719 -10.909
   22   2HB   TYR   5          1HB       TYR   5  19.505   8.424 -10.652
   23    HD1  TYR   5           HD1      TYR   5  21.064   5.790  -8.322
   24    HD2  TYR   5           HD2      TYR   5  21.684   9.339 -10.684
   25    HE1  TYR   5           HE1      TYR   5  23.376   5.930  -7.524
   26    HE2  TYR   5           HE2      TYR   5  24.002   9.442  -9.902
   27    HH   TYR   5           HH       TYR   5  25.299   7.035  -7.614
   28    HA   PRO   6           HA       PRO   6  17.135   9.191  -5.636
   29   1HB   PRO   6          2HB       PRO   6  19.588   8.361  -4.009
   30   2HB   PRO   6          1HB       PRO   6  17.912   8.591  -3.473
   31   1HG   PRO   6          2HG       PRO   6  18.803   6.087  -4.012
   32   2HG   PRO   6          1HG       PRO   6  17.183   6.562  -4.567
   33   1HD   PRO   6          1HD       PRO   6  19.757   6.370  -6.213
   34   2HD   PRO   6          2HD       PRO   6  18.090   5.877  -6.636
   35    HA   PRO   7           HA       PRO   7  20.509  12.625  -5.138
   36   1HB   PRO   7          2HB       PRO   7  22.907  12.532  -6.533
   37   2HB   PRO   7          1HB       PRO   7  22.651  11.831  -4.927
   38   1HG   PRO   7          2HG       PRO   7  22.536  10.396  -7.603
   39   2HG   PRO   7          1HG       PRO   7  23.433   9.902  -6.150
   40   1HD   PRO   7          2HD       PRO   7  20.980   8.835  -6.765
   41   2HD   PRO   7          1HD       PRO   7  21.422   9.129  -5.058
   42    H    CYS   8           H        CYS   8  20.500  11.245  -8.459
   43    HA   CYS   8           HA       CYS   8  20.134  13.821  -9.853
   44   1HB   CYS   8          1HB       CYS   8  20.938  11.643 -10.924
   45   2HB   CYS   8          2HB       CYS   8  19.265  11.067 -10.925
   46    H    PHE   9           H        PHE   9  17.747  11.547  -8.457
   47    HA   PHE   9           HA       PHE   9  15.309  12.942  -9.326
   48   1HB   PHE   9          1HB       PHE   9  15.333  10.610  -8.440
   49   2HB   PHE   9          2HB       PHE   9  15.841  11.163  -6.870
   50    HD1  PHE   9           HD1      PHE   9  14.210  12.427  -5.374
   51    HD2  PHE   9           HD2      PHE   9  12.953  10.781  -9.145
   52    HE1  PHE   9           HE1      PHE   9  11.857  12.636  -4.695
   53    HE2  PHE   9           HE2      PHE   9  10.610  10.984  -8.445
   54    HZ   PHE   9           HZ       PHE   9  10.053  11.917  -6.225
   55    H    ALA  10           H        ALA  10  17.224  13.260  -6.286
   56    HA   ALA  10           HA       ALA  10  15.725  15.477  -5.143
   57   1HB   ALA  10          1HB       ALA  10  17.264  14.026  -3.819
   58   2HB   ALA  10          2HB       ALA  10  17.690  15.735  -3.622
   59   3HB   ALA  10          3HB       ALA  10  18.677  14.694  -4.676
   60    H    THR  11           H        THR  11  18.373  15.623  -7.513
   61    HA   THR  11           HA       THR  11  18.633  18.620  -7.216
   62    HB   THR  11           HB       THR  11  20.411  18.451  -8.980
   63    HG1  THR  11           HG1      THR  11  21.131  16.391  -9.514
   64   1HG2  THR  11          1HG2      THR  11  20.900  16.548  -6.609
   65   2HG2  THR  11          2HG2      THR  11  21.094  18.319  -6.586
   66   3HG2  THR  11          3HG2      THR  11  22.137  17.323  -7.627
   67    H    ASN  12           H        ASN  12  17.124  16.405  -9.580
   68    HA   ASN  12           HA       ASN  12  16.860  18.558 -11.635
   69   1HB   ASN  12          1HB       ASN  12  17.382  16.184 -12.221
   70   2HB   ASN  12          2HB       ASN  12  15.814  15.674 -11.638
   71   1HD2  ASN  12          1HD2      ASN  12  17.425  17.660 -14.110
   72   2HD2  ASN  12          2HD2      ASN  12  16.051  17.540 -15.321
   73    HA   PRO  13           HA       PRO  13  12.749  19.904  -9.864
   74   1HB   PRO  13          1HB       PRO  13  12.545  21.222 -12.621
   75   2HB   PRO  13          2HB       PRO  13  12.152  21.897 -11.026
   76   1HG   PRO  13          2HG       PRO  13  14.504  22.551 -12.217
   77   2HG   PRO  13          1HG       PRO  13  14.494  22.180 -10.477
   78   1HD   PRO  13          1HD       PRO  13  15.349  20.342 -12.783
   79   2HD   PRO  13          2HD       PRO  13  16.129  20.619 -11.196
   80    H    ASP  14           H        ASP  14  12.857  18.532 -13.179
   81    HA   ASP  14           HA       ASP  14   9.998  17.866 -13.334
   82   1HB   ASP  14          2HB       ASP  14  11.578  18.117 -15.312
   83   2HB   ASP  14          1HB       ASP  14  12.342  16.598 -14.885
   84    H    CYS  15           H        CYS  15  12.811  15.865 -12.292
   85    HA   CYS  15           HA       CYS  15  11.183  13.460 -11.663
   86   1HB   CYS  15          1HB       CYS  15  14.060  14.250 -10.896
   87   2HB   CYS  15          2HB       CYS  15  13.296  12.733 -10.422
   88   1HN   NH2  16          1HN       NH2  16  12.886  15.680  -9.285
   89   2HN   NH2  16          2HN       NH2  16  11.591  15.438  -8.008
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  16.561   5.680 -16.220
    2   2H    GLY   1          2H        GLY   1  15.824   7.009 -15.572
    3   3H    GLY   1          3H        GLY   1  16.407   5.822 -14.581
    4   1HA   GLY   1          2HA       GLY   1  18.702   6.285 -15.275
    5   2HA   GLY   1          1HA       GLY   1  18.093   7.548 -16.341
    6    H    CYS   2           H        CYS   2  17.258   9.458 -15.407
    7    HA   CYS   2           HA       CYS   2  18.520  10.334 -12.889
    8   1HB   CYS   2          1HB       CYS   2  18.206  11.845 -14.870
    9   2HB   CYS   2          2HB       CYS   2  16.456  11.849 -14.592
   10    H    CYS   3           H        CYS   3  15.034   9.872 -13.738
   11    HA   CYS   3           HA       CYS   3  14.020  10.453 -11.037
   12   1HB   CYS   3          1HB       CYS   3  12.699   8.901 -13.351
   13   2HB   CYS   3          2HB       CYS   3  11.874   9.414 -11.880
   14    H    SER   4           H        SER   4  15.389   7.469 -12.305
   15    HA   SER   4           HA       SER   4  14.356   5.834  -9.965
   16   1HB   SER   4          1HB       SER   4  15.446   3.913 -11.009
   17   2HB   SER   4          2HB       SER   4  14.421   4.736 -12.176
   18    HG   SER   4           HG       SER   4  16.308   5.782 -12.967
   19    H    TYR   5           H        TYR   5  17.330   7.553 -10.833
   20    HA   TYR   5           HA       TYR   5  18.947   6.235  -8.655
   21   1HB   TYR   5          1HB       TYR   5  19.956   6.742 -10.859
   22   2HB   TYR   5          2HB       TYR   5  19.623   8.444 -10.674
   23    HD1  TYR   5           HD1      TYR   5  21.514   9.738 -10.059
   24    HD2  TYR   5           HD2      TYR   5  21.353   5.662  -8.690
   25    HE1  TYR   5           HE1      TYR   5  23.749   9.974  -9.079
   26    HE2  TYR   5           HE2      TYR   5  23.586   5.917  -7.698
   27    HH   TYR   5           HH       TYR   5  25.376   8.993  -7.933
   28    HA   PRO   6           HA       PRO   6  17.023   9.362  -5.881
   29   1HB   PRO   6          1HB       PRO   6  19.114   8.508  -3.837
   30   2HB   PRO   6          2HB       PRO   6  17.367   8.703  -3.652
   31   1HG   PRO   6          1HG       PRO   6  18.440   6.212  -3.980
   32   2HG   PRO   6          2HG       PRO   6  16.904   6.633  -4.770
   33   1HD   PRO   6          2HD       PRO   6  19.687   6.503  -6.041
   34   2HD   PRO   6          1HD       PRO   6  18.109   5.944  -6.670
   35    HA   PRO   7           HA       PRO   7  20.749  12.517  -5.113
   36   1HB   PRO   7          1HB       PRO   7  22.688  11.463  -7.224
   37   2HB   PRO   7          2HB       PRO   7  23.035  12.317  -5.709
   38   1HG   PRO   7          1HG       PRO   7  23.362   9.621  -5.854
   39   2HG   PRO   7          2HG       PRO   7  22.631  10.330  -4.395
   40   1HD   PRO   7          2HD       PRO   7  21.192   8.965  -6.737
   41   2HD   PRO   7          1HD       PRO   7  20.928   8.771  -4.987
   42    H    CYS   8           H        CYS   8  20.462  11.241  -8.472
   43    HA   CYS   8           HA       CYS   8  20.132  13.902  -9.725
   44   1HB   CYS   8          1HB       CYS   8  20.955  11.831 -10.932
   45   2HB   CYS   8          2HB       CYS   8  19.302  11.194 -10.933
   46    H    PHE   9           H        PHE   9  17.735  11.593  -8.411
   47    HA   PHE   9           HA       PHE   9  15.307  12.989  -9.296
   48   1HB   PHE   9          1HB       PHE   9  15.361  10.641  -8.410
   49   2HB   PHE   9          2HB       PHE   9  15.783  11.217  -6.825
   50    HD1  PHE   9           HD1      PHE   9  14.054  12.521  -5.443
   51    HD2  PHE   9           HD2      PHE   9  13.021  10.688  -9.196
   52    HE1  PHE   9           HE1      PHE   9  11.668  12.672  -4.874
   53    HE2  PHE   9           HE2      PHE   9  10.644  10.833  -8.604
   54    HZ   PHE   9           HZ       PHE   9   9.958  11.830  -6.449
   55    H    ALA  10           H        ALA  10  17.175  13.293  -6.227
   56    HA   ALA  10           HA       ALA  10  15.660  15.507  -5.092
   57   1HB   ALA  10          1HB       ALA  10  17.610  15.759  -3.550
   58   2HB   ALA  10          2HB       ALA  10  17.183  14.053  -3.753
   59   3HB   ALA  10          3HB       ALA  10  18.606  14.718  -4.595
   60    H    THR  11           H        THR  11  18.342  15.651  -7.429
   61    HA   THR  11           HA       THR  11  18.593  18.648  -7.128
   62    HB   THR  11           HB       THR  11  20.397  18.489  -8.859
   63    HG1  THR  11           HG1      THR  11  19.618  16.627  -9.886
   64   1HG2  THR  11          1HG2      THR  11  22.105  17.354  -7.489
   65   2HG2  THR  11          2HG2      THR  11  20.854  16.566  -6.498
   66   3HG2  THR  11          3HG2      THR  11  21.043  18.337  -6.455
   67    H    ASN  12           H        ASN  12  17.149  16.426  -9.529
   68    HA   ASN  12           HA       ASN  12  16.886  18.589 -11.574
   69   1HB   ASN  12          1HB       ASN  12  17.458  16.225 -12.164
   70   2HB   ASN  12          2HB       ASN  12  15.886  15.688 -11.616
   71   1HD2  ASN  12          1HD2      ASN  12  17.513  17.724 -14.038
   72   2HD2  ASN  12          2HD2      ASN  12  16.169  17.585 -15.280
   73    HA   PRO  13           HA       PRO  13  12.711  19.839  -9.881
   74   1HB   PRO  13          1HB       PRO  13  12.545  21.184 -12.628
   75   2HB   PRO  13          2HB       PRO  13  12.104  21.835 -11.035
   76   1HG   PRO  13          2HG       PRO  13  14.469  22.545 -12.167
   77   2HG   PRO  13          1HG       PRO  13  14.427  22.156 -10.431
   78   1HD   PRO  13          1HD       PRO  13  15.367  20.358 -12.735
   79   2HD   PRO  13          2HD       PRO  13  16.109  20.634 -11.129
   80    H    ASP  14           H        ASP  14  12.930  18.500 -13.202
   81    HA   ASP  14           HA       ASP  14  10.090  17.801 -13.454
   82   1HB   ASP  14          1HB       ASP  14  11.748  18.070 -15.371
   83   2HB   ASP  14          2HB       ASP  14  12.487  16.543 -14.930
   84    H    CYS  15           H        CYS  15  12.885  15.796 -12.380
   85    HA   CYS  15           HA       CYS  15  11.244  13.392 -11.776
   86   1HB   CYS  15          1HB       CYS  15  14.121  14.165 -10.997
   87   2HB   CYS  15          2HB       CYS  15  13.350  12.654 -10.514
   88   1HN   NH2  16          1HN       NH2  16  12.930  15.597  -9.373
   89   2HN   NH2  16          2HN       NH2  16  11.623  15.350  -8.109
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  19.317   7.833 -16.506
    2   2H    GLY   1          2H        GLY   1  19.852   6.649 -15.486
    3   3H    GLY   1          3H        GLY   1  19.037   6.245 -16.865
    4   1HA   GLY   1          1HA       GLY   1  16.980   7.228 -16.062
    5   2HA   GLY   1          2HA       GLY   1  17.562   5.976 -14.968
    6    H    CYS   2           H        CYS   2  16.982   9.354 -15.356
    7    HA   CYS   2           HA       CYS   2  18.370  10.287 -12.907
    8   1HB   CYS   2          1HB       CYS   2  17.988  11.767 -14.898
    9   2HB   CYS   2          2HB       CYS   2  16.250  11.781 -14.555
   10    H    CYS   3           H        CYS   3  14.852   9.846 -13.640
   11    HA   CYS   3           HA       CYS   3  13.933  10.473 -10.923
   12   1HB   CYS   3          1HB       CYS   3  12.518   8.892 -13.161
   13   2HB   CYS   3          2HB       CYS   3  11.747   9.457 -11.680
   14    H    SER   4           H        SER   4  15.182   7.429 -12.191
   15    HA   SER   4           HA       SER   4  14.194   5.851  -9.786
   16   1HB   SER   4          2HB       SER   4  15.919   4.958 -12.180
   17   2HB   SER   4          1HB       SER   4  15.381   3.912 -10.864
   18    HG   SER   4           HG       SER   4  13.698   5.400 -12.590
   19    H    TYR   5           H        TYR   5  17.170   7.505 -10.781
   20    HA   TYR   5           HA       TYR   5  18.831   6.185  -8.629
   21   1HB   TYR   5          1HB       TYR   5  19.797   6.650 -10.863
   22   2HB   TYR   5          2HB       TYR   5  19.487   8.358 -10.693
   23    HD1  TYR   5           HD1      TYR   5  21.403   9.641 -10.139
   24    HD2  TYR   5           HD2      TYR   5  21.233   5.585  -8.711
   25    HE1  TYR   5           HE1      TYR   5  23.663   9.866  -9.215
   26    HE2  TYR   5           HE2      TYR   5  23.490   5.829  -7.776
   27    HH   TYR   5           HH       TYR   5  25.234   7.174  -7.483
   28    HA   PRO   6           HA       PRO   6  17.007   9.364  -5.850
   29   1HB   PRO   6          1HB       PRO   6  19.139   8.495  -3.857
   30   2HB   PRO   6          2HB       PRO   6  17.403   8.742  -3.622
   31   1HG   PRO   6          2HG       PRO   6  18.382   6.222  -3.959
   32   2HG   PRO   6          1HG       PRO   6  16.848   6.682  -4.727
   33   1HD   PRO   6          2HD       PRO   6  19.613   6.464  -6.033
   34   2HD   PRO   6          1HD       PRO   6  18.015   5.930  -6.633
   35    HA   PRO   7           HA       PRO   7  20.786  12.485  -5.203
   36   1HB   PRO   7          1HB       PRO   7  22.665  11.388  -7.347
   37   2HB   PRO   7          2HB       PRO   7  23.056  12.252  -5.849
   38   1HG   PRO   7          1HG       PRO   7  23.348   9.551  -5.975
   39   2HG   PRO   7          2HG       PRO   7  22.658  10.283  -4.506
   40   1HD   PRO   7          1HD       PRO   7  21.150   8.913  -6.803
   41   2HD   PRO   7          2HD       PRO   7  20.925   8.738  -5.046
   42    H    CYS   8           H        CYS   8  20.406  11.182  -8.542
   43    HA   CYS   8           HA       CYS   8  20.080  13.836  -9.811
   44   1HB   CYS   8          1HB       CYS   8  20.853  11.747 -11.019
   45   2HB   CYS   8          2HB       CYS   8  19.195  11.127 -10.975
   46    H    PHE   9           H        PHE   9  17.688  11.569  -8.418
   47    HA   PHE   9           HA       PHE   9  15.257  12.988  -9.261
   48   1HB   PHE   9          1HB       PHE   9  15.294  10.650  -8.352
   49   2HB   PHE   9          2HB       PHE   9  15.769  11.234  -6.784
   50    HD1  PHE   9           HD1      PHE   9  14.103  12.559  -5.359
   51    HD2  PHE   9           HD2      PHE   9  12.931  10.756  -9.085
   52    HE1  PHE   9           HE1      PHE   9  11.737  12.763  -4.728
   53    HE2  PHE   9           HE2      PHE   9  10.574  10.954  -8.432
   54    HZ   PHE   9           HZ       PHE   9   9.968  11.964  -6.259
   55    H    ALA  10           H        ALA  10  17.205  13.303  -6.243
   56    HA   ALA  10           HA       ALA  10  15.746  15.548  -5.097
   57   1HB   ALA  10          1HB       ALA  10  18.693  14.728  -4.663
   58   2HB   ALA  10          2HB       ALA  10  17.282  14.091  -3.778
   59   3HB   ALA  10          3HB       ALA  10  17.736  15.795  -3.607
   60    H    THR  11           H        THR  11  18.377  15.630  -7.496
   61    HA   THR  11           HA       THR  11  18.671  18.627  -7.237
   62    HB   THR  11           HB       THR  11  20.438  18.424  -9.001
   63    HG1  THR  11           HG1      THR  11  19.946  15.652  -8.720
   64   1HG2  THR  11          1HG2      THR  11  21.130  18.289  -6.608
   65   2HG2  THR  11          2HG2      THR  11  20.917  16.520  -6.629
   66   3HG2  THR  11          3HG2      THR  11  22.157  17.281  -7.653
   67    H    ASN  12           H        ASN  12  17.146  16.398  -9.580
   68    HA   ASN  12           HA       ASN  12  16.880  18.536 -11.649
   69   1HB   ASN  12          1HB       ASN  12  17.399  16.154 -12.214
   70   2HB   ASN  12          2HB       ASN  12  15.828  15.654 -11.631
   71   1HD2  ASN  12          1HD2      ASN  12  17.451  17.616 -14.114
   72   2HD2  ASN  12          2HD2      ASN  12  16.081  17.489 -15.328
   73    HA   PRO  13           HA       PRO  13  12.762  19.889  -9.900
   74   1HB   PRO  13          2HB       PRO  13  12.565  21.188 -12.666
   75   2HB   PRO  13          1HB       PRO  13  12.166  21.874 -11.077
   76   1HG   PRO  13          1HG       PRO  13  14.521  22.523 -12.266
   77   2HG   PRO  13          2HG       PRO  13  14.506  22.164 -10.523
   78   1HD   PRO  13          2HD       PRO  13  15.370  20.311 -12.813
   79   2HD   PRO  13          1HD       PRO  13  16.146  20.601 -11.226
   80    H    ASP  14           H        ASP  14  12.887  18.491 -13.203
   81    HA   ASP  14           HA       ASP  14  10.028  17.836 -13.374
   82   1HB   ASP  14          2HB       ASP  14  11.624  18.066 -15.340
   83   2HB   ASP  14          1HB       ASP  14  12.376  16.545 -14.899
   84    H    CYS  15           H        CYS  15  12.822  15.814 -12.314
   85    HA   CYS  15           HA       CYS  15  11.159  13.436 -11.662
   86   1HB   CYS  15          1HB       CYS  15  14.058  14.182 -10.942
   87   2HB   CYS  15          2HB       CYS  15  13.275  12.690 -10.421
   88   1HN   NH2  16          1HN       NH2  16  12.914  15.652  -9.319
   89   2HN   NH2  16          2HN       NH2  16  11.625  15.442  -8.029
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  19.064   6.130 -16.708
    2   2H    GLY   1          2H        GLY   1  19.465   7.689 -16.334
    3   3H    GLY   1          3H        GLY   1  19.802   6.471 -15.270
    4   1HA   GLY   1          1HA       GLY   1  17.053   7.311 -16.077
    5   2HA   GLY   1          2HA       GLY   1  17.426   6.024 -14.934
    6    H    CYS   2           H        CYS   2  17.087   9.407 -15.346
    7    HA   CYS   2           HA       CYS   2  18.415  10.307 -12.859
    8   1HB   CYS   2          1HB       CYS   2  18.115  11.799 -14.852
    9   2HB   CYS   2          2HB       CYS   2  16.366  11.836 -14.565
   10    H    CYS   3           H        CYS   3  14.909   9.926 -13.673
   11    HA   CYS   3           HA       CYS   3  13.933  10.485 -10.950
   12   1HB   CYS   3          1HB       CYS   3  12.569   8.968 -13.264
   13   2HB   CYS   3          2HB       CYS   3  11.767   9.481 -11.781
   14    H    SER   4           H        SER   4  15.275   7.524 -12.272
   15    HA   SER   4           HA       SER   4  14.248   5.833  -9.971
   16   1HB   SER   4          1HB       SER   4  15.366   3.946 -11.070
   17   2HB   SER   4          2HB       SER   4  14.308   4.784 -12.196
   18    HG   SER   4           HG       SER   4  16.163   5.881 -12.993
   19    H    TYR   5           H        TYR   5  17.250   7.533 -10.835
   20    HA   TYR   5           HA       TYR   5  18.841   6.207  -8.650
   21   1HB   TYR   5          2HB       TYR   5  19.848   6.711 -10.854
   22   2HB   TYR   5          1HB       TYR   5  19.535   8.415 -10.654
   23    HD1  TYR   5           HD1      TYR   5  21.235   5.607  -8.680
   24    HD2  TYR   5           HD2      TYR   5  21.452   9.678 -10.058
   25    HE1  TYR   5           HE1      TYR   5  23.476   5.829  -7.701
   26    HE2  TYR   5           HE2      TYR   5  23.696   9.881  -9.091
   27    HH   TYR   5           HH       TYR   5  25.221   7.162  -7.363
   28    HA   PRO   6           HA       PRO   6  16.953   9.350  -5.862
   29   1HB   PRO   6          1HB       PRO   6  19.042   8.465  -3.829
   30   2HB   PRO   6          2HB       PRO   6  17.299   8.682  -3.635
   31   1HG   PRO   6          1HG       PRO   6  18.338   6.178  -3.973
   32   2HG   PRO   6          2HG       PRO   6  16.804   6.621  -4.756
   33   1HD   PRO   6          1HD       PRO   6  19.580   6.457  -6.038
   34   2HD   PRO   6          2HD       PRO   6  17.993   5.920  -6.663
   35    HA   PRO   7           HA       PRO   7  20.725  12.456  -5.113
   36   1HB   PRO   7          1HB       PRO   7  22.631  11.377  -7.243
   37   2HB   PRO   7          2HB       PRO   7  23.002  12.230  -5.732
   38   1HG   PRO   7          1HG       PRO   7  23.295   9.530  -5.873
   39   2HG   PRO   7          2HG       PRO   7  22.583  10.251  -4.410
   40   1HD   PRO   7          2HD       PRO   7  21.110   8.898  -6.739
   41   2HD   PRO   7          1HD       PRO   7  20.857   8.711  -4.986
   42    H    CYS   8           H        CYS   8  20.409  11.195  -8.478
   43    HA   CYS   8           HA       CYS   8  20.074  13.867  -9.712
   44   1HB   CYS   8          2HB       CYS   8  20.896  11.792 -10.927
   45   2HB   CYS   8          1HB       CYS   8  19.243  11.159 -10.927
   46    H    PHE   9           H        PHE   9  17.693  11.605  -8.323
   47    HA   PHE   9           HA       PHE   9  15.259  12.992  -9.231
   48   1HB   PHE   9          1HB       PHE   9  15.310  10.662  -8.281
   49   2HB   PHE   9          2HB       PHE   9  15.730  11.286  -6.713
   50    HD1  PHE   9           HD1      PHE   9  12.978  10.686  -9.072
   51    HD2  PHE   9           HD2      PHE   9  14.002  12.661  -5.390
   52    HE1  PHE   9           HE1      PHE   9  10.598  10.859  -8.495
   53    HE2  PHE   9           HE2      PHE   9  11.614  12.840  -4.836
   54    HZ   PHE   9           HZ       PHE   9   9.908  11.940  -6.382
   55    H    ALA  10           H        ALA  10  17.175  13.341  -6.195
   56    HA   ALA  10           HA       ALA  10  15.776  15.698  -5.161
   57   1HB   ALA  10          1HB       ALA  10  17.746  15.907  -3.639
   58   2HB   ALA  10          2HB       ALA  10  17.208  14.223  -3.743
   59   3HB   ALA  10          3HB       ALA  10  18.667  14.746  -4.625
   60    H    THR  11           H        THR  11  18.280  15.540  -7.643
   61    HA   THR  11           HA       THR  11  18.911  18.489  -7.435
   62    HB   THR  11           HB       THR  11  20.001  16.389  -9.398
   63    HG1  THR  11           HG1      THR  11  20.474  16.014  -7.212
   64   1HG2  THR  11          1HG2      THR  11  21.920  17.976  -9.702
   65   2HG2  THR  11          2HG2      THR  11  20.410  18.710 -10.277
   66   3HG2  THR  11          3HG2      THR  11  21.095  19.200  -8.705
   67    H    ASN  12           H        ASN  12  17.193  16.333  -9.765
   68    HA   ASN  12           HA       ASN  12  16.844  18.545 -11.727
   69   1HB   ASN  12          1HB       ASN  12  17.354  16.186 -12.387
   70   2HB   ASN  12          2HB       ASN  12  15.806  15.656 -11.771
   71   1HD2  ASN  12          1HD2      ASN  12  17.331  17.720 -14.236
   72   2HD2  ASN  12          2HD2      ASN  12  15.928  17.611 -15.414
   73    HA   PRO  13           HA       PRO  13  12.763  19.835  -9.841
   74   1HB   PRO  13          1HB       PRO  13  12.498  21.198 -12.572
   75   2HB   PRO  13          2HB       PRO  13  12.130  21.844 -10.959
   76   1HG   PRO  13          1HG       PRO  13  14.456  22.533 -12.181
   77   2HG   PRO  13          2HG       PRO  13  14.480  22.132 -10.447
   78   1HD   PRO  13          2HD       PRO  13  15.303  20.341 -12.800
   79   2HD   PRO  13          1HD       PRO  13  16.111  20.593 -11.223
   80    H    ASP  14           H        ASP  14  12.817  18.512 -13.174
   81    HA   ASP  14           HA       ASP  14   9.966  17.833 -13.307
   82   1HB   ASP  14          1HB       ASP  14  11.553  18.073 -15.289
   83   2HB   ASP  14          2HB       ASP  14  12.292  16.541 -14.866
   84    H    CYS  15           H        CYS  15  12.784  15.823 -12.305
   85    HA   CYS  15           HA       CYS  15  11.160  13.430 -11.627
   86   1HB   CYS  15          1HB       CYS  15  14.048  14.217 -10.897
   87   2HB   CYS  15          2HB       CYS  15  13.285  12.702 -10.408
   88   1HN   NH2  16          1HN       NH2  16  12.904  15.652  -9.282
   89   2HN   NH2  16          2HN       NH2  16  11.615  15.439  -7.994
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  19.035   6.229 -16.854
    2   2H    GLY   1          2H        GLY   1  19.846   6.628 -15.472
    3   3H    GLY   1          3H        GLY   1  19.324   7.815 -16.496
    4   1HA   GLY   1          1HA       GLY   1  16.980   7.225 -16.062
    5   2HA   GLY   1          2HA       GLY   1  17.550   5.972 -14.964
    6    H    CYS   2           H        CYS   2  16.986   9.350 -15.356
    7    HA   CYS   2           HA       CYS   2  18.372  10.280 -12.904
    8   1HB   CYS   2          2HB       CYS   2  17.998  11.762 -14.900
    9   2HB   CYS   2          1HB       CYS   2  16.258  11.782 -14.565
   10    H    CYS   3           H        CYS   3  14.854   9.847 -13.647
   11    HA   CYS   3           HA       CYS   3  13.928  10.478 -10.933
   12   1HB   CYS   3          1HB       CYS   3  12.521   8.893 -13.174
   13   2HB   CYS   3          2HB       CYS   3  11.745   9.453 -11.694
   14    H    SER   4           H        SER   4  15.177   7.430 -12.197
   15    HA   SER   4           HA       SER   4  14.189   5.857  -9.790
   16   1HB   SER   4          2HB       SER   4  15.921   4.963 -12.177
   17   2HB   SER   4          1HB       SER   4  15.379   3.917 -10.862
   18    HG   SER   4           HG       SER   4  13.232   4.457 -11.395
   19    H    TYR   5           H        TYR   5  17.182   7.490 -10.792
   20    HA   TYR   5           HA       TYR   5  18.826   6.188  -8.627
   21   1HB   TYR   5          2HB       TYR   5  19.788   6.651 -10.860
   22   2HB   TYR   5          1HB       TYR   5  19.482   8.358 -10.685
   23    HD1  TYR   5           HD1      TYR   5  21.404   9.636 -10.137
   24    HD2  TYR   5           HD2      TYR   5  21.224   5.580  -8.707
   25    HE1  TYR   5           HE1      TYR   5  23.664   9.856  -9.213
   26    HE2  TYR   5           HE2      TYR   5  23.483   5.820  -7.772
   27    HH   TYR   5           HH       TYR   5  25.305   8.869  -8.092
   28    HA   PRO   6           HA       PRO   6  17.006   9.372  -5.848
   29   1HB   PRO   6          2HB       PRO   6  19.138   8.502  -3.855
   30   2HB   PRO   6          1HB       PRO   6  17.403   8.751  -3.620
   31   1HG   PRO   6          2HG       PRO   6  18.379   6.230  -3.955
   32   2HG   PRO   6          1HG       PRO   6  16.845   6.691  -4.723
   33   1HD   PRO   6          2HD       PRO   6  19.609   6.469  -6.029
   34   2HD   PRO   6          1HD       PRO   6  18.011   5.935  -6.628
   35    HA   PRO   7           HA       PRO   7  20.790  12.489  -5.207
   36   1HB   PRO   7          1HB       PRO   7  22.666  11.387  -7.351
   37   2HB   PRO   7          2HB       PRO   7  23.058  12.253  -5.854
   38   1HG   PRO   7          1HG       PRO   7  23.347   9.551  -5.977
   39   2HG   PRO   7          2HG       PRO   7  22.659  10.285  -4.509
   40   1HD   PRO   7          1HD       PRO   7  21.149   8.915  -6.803
   41   2HD   PRO   7          2HD       PRO   7  20.924   8.742  -5.045
   42    H    CYS   8           H        CYS   8  20.409  11.183  -8.545
   43    HA   CYS   8           HA       CYS   8  20.087  13.837  -9.816
   44   1HB   CYS   8          2HB       CYS   8  20.856  11.745 -11.022
   45   2HB   CYS   8          1HB       CYS   8  19.197  11.128 -10.977
   46    H    PHE   9           H        PHE   9  17.689  11.572  -8.428
   47    HA   PHE   9           HA       PHE   9  15.261  12.995  -9.272
   48   1HB   PHE   9          1HB       PHE   9  15.293  10.656  -8.372
   49   2HB   PHE   9          2HB       PHE   9  15.773  11.231  -6.802
   50    HD1  PHE   9           HD1      PHE   9  14.113  12.546  -5.365
   51    HD2  PHE   9           HD2      PHE   9  12.928  10.772  -9.101
   52    HE1  PHE   9           HE1      PHE   9  11.748  12.745  -4.725
   53    HE2  PHE   9           HE2      PHE   9  10.574  10.965  -8.439
   54    HZ   PHE   9           HZ       PHE   9   9.974  11.957  -6.256
   55    H    ALA  10           H        ALA  10  17.205  13.301  -6.250
   56    HA   ALA  10           HA       ALA  10  15.745  15.544  -5.101
   57   1HB   ALA  10          1HB       ALA  10  17.278  14.082  -3.783
   58   2HB   ALA  10          2HB       ALA  10  18.691  14.719  -4.664
   59   3HB   ALA  10          3HB       ALA  10  17.734  15.784  -3.607
   60    H    THR  11           H        THR  11  18.378  15.630  -7.496
   61    HA   THR  11           HA       THR  11  18.675  18.626  -7.230
   62    HB   THR  11           HB       THR  11  20.441  18.427  -8.996
   63    HG1  THR  11           HG1      THR  11  21.133  16.357  -9.529
   64   1HG2  THR  11          1HG2      THR  11  22.160  17.282  -7.649
   65   2HG2  THR  11          2HG2      THR  11  21.133  18.289  -6.603
   66   3HG2  THR  11          3HG2      THR  11  20.920  16.520  -6.626
   67    H    ASN  12           H        ASN  12  17.155  16.401  -9.581
   68    HA   ASN  12           HA       ASN  12  16.879  18.548 -11.641
   69   1HB   ASN  12          1HB       ASN  12  17.411  16.173 -12.220
   70   2HB   ASN  12          2HB       ASN  12  15.846  15.659 -11.635
   71   1HD2  ASN  12          1HD2      ASN  12  17.442  17.654 -14.111
   72   2HD2  ASN  12          2HD2      ASN  12  16.071  17.517 -15.322
   73    HA   PRO  13           HA       PRO  13  12.753  19.865  -9.880
   74   1HB   PRO  13          2HB       PRO  13  12.554  21.192 -12.633
   75   2HB   PRO  13          1HB       PRO  13  12.151  21.860 -11.038
   76   1HG   PRO  13          1HG       PRO  13  14.503  22.531 -12.219
   77   2HG   PRO  13          2HG       PRO  13  14.489  22.155 -10.479
   78   1HD   PRO  13          2HD       PRO  13  15.362  20.328 -12.786
   79   2HD   PRO  13          1HD       PRO  13  16.137  20.606 -11.197
   80    H    ASP  14           H        ASP  14  12.897  18.489 -13.188
   81    HA   ASP  14           HA       ASP  14  10.045  17.833 -13.392
   82   1HB   ASP  14          1HB       ASP  14  11.681  18.047 -15.334
   83   2HB   ASP  14          2HB       ASP  14  12.400  16.514 -14.882
   84    H    CYS  15           H        CYS  15  12.828  15.774 -12.336
   85    HA   CYS  15           HA       CYS  15  11.158  13.422 -11.673
   86   1HB   CYS  15          2HB       CYS  15  14.057  14.199 -10.974
   87   2HB   CYS  15          1HB       CYS  15  13.293  12.708 -10.437
   88   1HN   NH2  16          1HN       NH2  16  12.914  15.631  -9.323
   89   2HN   NH2  16          2HN       NH2  16  11.624  15.422  -8.036
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  16.782   5.655 -14.185
    2   2H    GLY   1          2H        GLY   1  16.620   5.445 -15.815
    3   3H    GLY   1          3H        GLY   1  15.844   6.694 -15.062
    4   1HA   GLY   1          2HA       GLY   1  18.798   6.393 -15.351
    5   2HA   GLY   1          1HA       GLY   1  17.806   7.497 -16.303
    6    H    CYS   2           H        CYS   2  17.125   9.410 -15.356
    7    HA   CYS   2           HA       CYS   2  18.514  10.367 -12.897
    8   1HB   CYS   2          1HB       CYS   2  18.186  11.852 -14.892
    9   2HB   CYS   2          2HB       CYS   2  16.439  11.866 -14.597
   10    H    CYS   3           H        CYS   3  15.020   9.923 -13.728
   11    HA   CYS   3           HA       CYS   3  14.022  10.469 -11.014
   12   1HB   CYS   3          1HB       CYS   3  12.688   8.932 -13.332
   13   2HB   CYS   3          2HB       CYS   3  11.873   9.441 -11.854
   14    H    SER   4           H        SER   4  15.382   7.500 -12.333
   15    HA   SER   4           HA       SER   4  14.350   5.820 -10.026
   16   1HB   SER   4          1HB       SER   4  14.476   4.873 -12.365
   17   2HB   SER   4          2HB       SER   4  16.237   5.028 -12.328
   18    HG   SER   4           HG       SER   4  15.497   2.982 -11.714
   19    H    TYR   5           H        TYR   5  17.351   7.537 -10.886
   20    HA   TYR   5           HA       TYR   5  18.940   6.222  -8.690
   21   1HB   TYR   5          2HB       TYR   5  19.966   6.740 -10.881
   22   2HB   TYR   5          1HB       TYR   5  19.637   8.440 -10.680
   23    HD1  TYR   5           HD1      TYR   5  21.535   9.719 -10.059
   24    HD2  TYR   5           HD2      TYR   5  21.339   5.642  -8.694
   25    HE1  TYR   5           HE1      TYR   5  23.764   9.940  -9.063
   26    HE2  TYR   5           HE2      TYR   5  23.565   5.883  -7.686
   27    HH   TYR   5           HH       TYR   5  25.293   7.231  -7.321
   28    HA   PRO   6           HA       PRO   6  17.002   9.345  -5.919
   29   1HB   PRO   6          2HB       PRO   6  19.078   8.483  -3.863
   30   2HB   PRO   6          1HB       PRO   6  17.331   8.679  -3.689
   31   1HG   PRO   6          1HG       PRO   6  18.404   6.188  -4.018
   32   2HG   PRO   6          2HG       PRO   6  16.873   6.613  -4.816
   33   1HD   PRO   6          1HD       PRO   6  19.664   6.483  -6.069
   34   2HD   PRO   6          2HD       PRO   6  18.089   5.927  -6.710
   35    HA   PRO   7           HA       PRO   7  20.729  12.493  -5.120
   36   1HB   PRO   7          1HB       PRO   7  22.675  11.440  -7.226
   37   2HB   PRO   7          2HB       PRO   7  23.017  12.293  -5.709
   38   1HG   PRO   7          1HG       PRO   7  23.341   9.596  -5.853
   39   2HG   PRO   7          2HG       PRO   7  22.604  10.306  -4.397
   40   1HD   PRO   7          1HD       PRO   7  21.175   8.943  -6.747
   41   2HD   PRO   7          2HD       PRO   7  20.902   8.748  -4.998
   42    H    CYS   8           H        CYS   8  20.450  11.226  -8.482
   43    HA   CYS   8           HA       CYS   8  20.125  13.890  -9.731
   44   1HB   CYS   8          1HB       CYS   8  20.945  11.814 -10.937
   45   2HB   CYS   8          2HB       CYS   8  19.290  11.187 -10.945
   46    H    PHE   9           H        PHE   9  17.728  11.589  -8.408
   47    HA   PHE   9           HA       PHE   9  15.300  12.983  -9.299
   48   1HB   PHE   9          1HB       PHE   9  15.349  10.640  -8.403
   49   2HB   PHE   9          2HB       PHE   9  15.773  11.222  -6.820
   50    HD1  PHE   9           HD1      PHE   9  13.007  10.676  -9.180
   51    HD2  PHE   9           HD2      PHE   9  14.049  12.546  -5.448
   52    HE1  PHE   9           HE1      PHE   9  10.632  10.828  -8.585
   53    HE2  PHE   9           HE2      PHE   9  11.663  12.703  -4.876
   54    HZ   PHE   9           HZ       PHE   9   9.951  11.846  -6.439
   55    H    ALA  10           H        ALA  10  17.169  13.296  -6.231
   56    HA   ALA  10           HA       ALA  10  15.660  15.518  -5.106
   57   1HB   ALA  10          1HB       ALA  10  17.610  15.772  -3.565
   58   2HB   ALA  10          2HB       ALA  10  17.178  14.065  -3.761
   59   3HB   ALA  10          3HB       ALA  10  18.603  14.723  -4.604
   60    H    THR  11           H        THR  11  18.342  15.645  -7.443
   61    HA   THR  11           HA       THR  11  18.602  18.643  -7.155
   62    HB   THR  11           HB       THR  11  20.405  18.472  -8.885
   63    HG1  THR  11           HG1      THR  11  19.620  16.610  -9.906
   64   1HG2  THR  11          1HG2      THR  11  20.857  16.554  -6.520
   65   2HG2  THR  11          2HG2      THR  11  22.109  17.337  -7.512
   66   3HG2  THR  11          3HG2      THR  11  21.050  18.325  -6.480
   67    H    ASN  12           H        ASN  12  17.137  16.417  -9.537
   68    HA   ASN  12           HA       ASN  12  16.881  18.568 -11.597
   69   1HB   ASN  12          1HB       ASN  12  17.432  16.195 -12.174
   70   2HB   ASN  12          2HB       ASN  12  15.859  15.675 -11.614
   71   1HD2  ASN  12          1HD2      ASN  12  17.491  17.672 -14.062
   72   2HD2  ASN  12          2HD2      ASN  12  16.137  17.540 -15.293
   73    HA   PRO  13           HA       PRO  13  12.730  19.866  -9.885
   74   1HB   PRO  13          1HB       PRO  13  12.554  21.190 -12.641
   75   2HB   PRO  13          2HB       PRO  13  12.131  21.857 -11.051
   76   1HG   PRO  13          2HG       PRO  13  14.493  22.538 -12.206
   77   2HG   PRO  13          1HG       PRO  13  14.461  22.163 -10.466
   78   1HD   PRO  13          2HD       PRO  13  15.369  20.339 -12.763
   79   2HD   PRO  13          1HD       PRO  13  16.123  20.621 -11.164
   80    H    ASP  14           H        ASP  14  12.907  18.502 -13.199
   81    HA   ASP  14           HA       ASP  14  10.056  17.820 -13.409
   82   1HB   ASP  14          2HB       ASP  14  11.671  18.087 -15.355
   83   2HB   ASP  14          1HB       ASP  14  12.434  16.569 -14.921
   84    H    CYS  15           H        CYS  15  12.859  15.819 -12.336
   85    HA   CYS  15           HA       CYS  15  11.219  13.413 -11.735
   86   1HB   CYS  15          1HB       CYS  15  14.094  14.189 -10.950
   87   2HB   CYS  15          2HB       CYS  15  13.323  12.674 -10.479
   88   1HN   NH2  16          1HN       NH2  16  12.903  15.629  -9.340
   89   2HN   NH2  16          2HN       NH2  16  11.600  15.381  -8.072