*HEADER    TOXIN                                   15-OCT-01   1K64              
*TITLE     NMR STRUCTUE OF ALPHA-CONOTOXIN EI                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN EI;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN CONUS                  
*SOURCE   5 ERMINEUS.                                                            
*KEYWDS    OMEGA-SHAPED CONTAINING A-HELIX                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.H.PARK, J.E.SUK, R.JACOBSEN, W.R.GRAY, J.M.MCINTOSH,                
*AUTHOR   2 K.H.HAN                                                              
*REVDAT   1   09-SEP-03 1K64    0                                                

#chiral
1:AR+N_1:CA        S
1:ASP_2:CA         S
1:PRO_3:CA         S
1:PRO_3:CG         R
1:CYS_4:CA         R
1:CYS_5:CA         R
1:TYR_6:CA         S
1:HIS+_7:CA        S
1:PRO_8:CA         S
1:THR_9:CA         S
1:THR_9:CB         R
1:CYS_10:CA        R
1:ASN_11:CA        S
1:MET_12:CA        S
1:SER_13:CA        S
1:ASN_14:CA        S
1:PRO_15:CA        S
1:GLN_16:CA        S
1:ILE_17:CA        S
1:ILE_17:CB        S
1:CYS_18:CA        R
!
#NOE_distance
!Disulfide bonds
1:CYS_4:SG         1:CYS_10:SG          1.500 2.500 50.00 50.00 1000.000
1:CYS_4:CB         1:CYS_10:SG          2.500 3.500 50.00 50.00 1000.000
1:CYS_10:CB        1:CYS_4:SG           2.500 3.500 50.00 50.00 1000.000
1:CYS_5:SG         1:CYS_18:SG          1.500 2.500 50.00 50.00 1000.000
1:CYS_5:CB         1:CYS_18:SG          2.500 3.500 50.00 50.00 1000.000
1:CYS_18:CB        1:CYS_5:SG           2.500 3.500 50.00 50.00 1000.000
1:AR+N_1:HB1       1:AR+N_1:HA         -1.000 2.831  1.00  1.00 1000.000
1:AR+N_1:HB2       1:AR+N_1:HA         -1.000 2.801  1.00  1.00 1000.000
1:AR+N_1:HG1       1:AR+N_1:HA         -1.000 2.868  1.00  1.00 1000.000
1:AR+N_1:HG1       1:AR+N_1:HB1        -1.000 2.132  1.00  1.00 1000.000
1:AR+N_1:HG1       1:AR+N_1:HB2        -1.000 3.244  1.00  1.00 1000.000
1:AR+N_1:HG2       1:AR+N_1:HA         -1.000 3.776  1.00  1.00 1000.000
1:AR+N_1:HG2       1:AR+N_1:HB1        -1.000 5.250  1.00  1.00 1000.000
1:AR+N_1:HG2       1:AR+N_1:HB2        -1.000 2.692  1.00  1.00 1000.000
1:AR+N_1:HD1       1:AR+N_1:HB1        -1.000 3.387  1.00  1.00 1000.000
1:AR+N_1:HD1       1:AR+N_1:HB2        -1.000 2.951  1.00  1.00 1000.000
1:AR+N_1:HD1       1:AR+N_1:HG1        -1.000 2.940  1.00  1.00 1000.000
1:AR+N_1:HD1       1:AR+N_1:HG2        -1.000 3.946  1.00  1.00 1000.000
1:AR+N_1:HD2       1:AR+N_1:HB1        -1.000 3.779  1.00  1.00 1000.000
1:AR+N_1:HD2       1:AR+N_1:HB2        -1.000 4.372  1.00  1.00 1000.000
1:AR+N_1:HD2       1:AR+N_1:HG2        -1.000 3.290  1.00  1.00 1000.000
1:AR+N_1:HE        1:AR+N_1:HG1        -1.000 4.058  1.00  1.00 1000.000
1:AR+N_1:HE        1:AR+N_1:HG2        -1.000 3.661  1.00  1.00 1000.000
1:AR+N_1:HE        1:AR+N_1:HD1        -1.000 3.016  1.00  1.00 1000.000
1:AR+N_1:HE        1:AR+N_1:HD2        -1.000 3.225  1.00  1.00 1000.000
1:ASP_2:HN         1:AR+N_1:HA         -1.000 2.380 30.00 30.00 1000.000
1:ASP_2:HN         1:AR+N_1:HB1        -1.000 4.000  1.00  1.00 1000.000
1:ASP_2:HN         1:AR+N_1:HB2        -1.000 3.952  1.00  1.00 1000.000
1:ASP_2:HN         1:AR+N_1:HG1        -1.000 4.118  1.00  1.00 1000.000
1:ASP_2:HN         1:AR+N_1:HG2        -1.000 3.970  1.00  1.00 1000.000
1:ASP_2:HA         1:ASP_2:HN          -1.000 3.300 30.00 30.00 1000.000
1:ASP_2:HB1        1:ASP_2:HN          -1.000 2.162  1.00  1.00 1000.000
1:ASP_2:HB1        1:ASP_2:HA          -1.000 3.052  1.00  1.00 1000.000
1:ASP_2:HB2        1:ASP_2:HN          -1.000 2.425  1.00  1.00 1000.000
1:ASP_2:HB2        1:ASP_2:HA          -1.000 2.621  1.00  1.00 1000.000
1:PRO_3:HB1        1:PRO_3:HA          -1.000 2.380  1.00  1.00 1000.000
1:PRO_3:HB2        1:PRO_3:HA          -1.000 3.932  1.00  1.00 1000.000
1:PRO_3:HG         1:PRO_3:HB1         -1.000 2.671  1.00  1.00 1000.000
1:PRO_3:HG         1:PRO_3:HB2         -1.000 2.694  1.00  1.00 1000.000
1:PRO_3:HD1        1:ASP_2:HA          -1.000 2.582 30.00 30.00 1000.000
1:PRO_3:HD1        1:ASP_2:HB1         -1.000 3.760  1.00  1.00 1000.000
1:PRO_3:HD1        1:PRO_3:HB1         -1.000 3.016  1.00  1.00 1000.000
1:PRO_3:HD1        1:PRO_3:HG          -1.000 3.268  1.00  1.00 1000.000
1:PRO_3:HD2        1:ASP_2:HA          -1.000 2.786 30.00 30.00 1000.000
1:PRO_3:HD2        1:ASP_2:HB1         -1.000 4.585  1.00  1.00 1000.000
1:PRO_3:HD2        1:PRO_3:HA          -1.000 3.403  1.00  1.00 1000.000
1:PRO_3:HD2        1:PRO_3:HB1         -1.000 3.606  1.00  1.00 1000.000
1:PRO_3:HD2        1:PRO_3:HB2         -1.000 2.737  1.00  1.00 1000.000
1:PRO_3:HD2        1:PRO_3:HG          -1.000 2.622  1.00  1.00 1000.000
1:CYS_4:HN         1:ASP_2:HB1         -1.000 3.554  1.00  1.00 1000.000
1:CYS_4:HN         1:PRO_3:HA          -1.000 3.720 30.00 30.00 1000.000
1:CYS_4:HN         1:PRO_3:HB1         -1.000 3.525  1.00  1.00 1000.000
1:CYS_4:HN         1:PRO_3:HB2         -1.000 3.686  1.00  1.00 1000.000
1:CYS_4:HN         1:PRO_3:HD2         -1.000 4.514  1.00  1.00 1000.000
1:CYS_4:HA         1:CYS_4:HN          -1.000 3.382 30.00 30.00 1000.000
1:CYS_4:HB1        1:CYS_4:HN          -1.000 2.494  1.00  1.00 1000.000
1:CYS_4:HB1        1:CYS_4:HA          -1.000 2.295  1.00  1.00 1000.000
1:CYS_4:HB2        1:CYS_4:HN          -1.000 2.671  1.00  1.00 1000.000
1:CYS_4:HB2        1:CYS_4:HA          -1.000 4.087  1.00  1.00 1000.000
1:CYS_5:HN         1:ASP_2:HB1         -1.000 3.089  1.00  1.00 1000.000
1:CYS_5:HN         1:CYS_4:HN          -1.000 2.873 30.00 30.00 1000.000
1:CYS_5:HN         1:CYS_4:HA          -1.000 3.861 30.00 30.00 1000.000
1:CYS_5:HN         1:CYS_4:HB1         -1.000 4.079  1.00  1.00 1000.000
1:CYS_5:HN         1:CYS_4:HB2         -1.000 2.964  1.00  1.00 1000.000
1:CYS_5:HA         1:CYS_5:HN          -1.000 3.087 30.00 30.00 1000.000
1:CYS_5:HB1        1:CYS_5:HN          -1.000 4.650  1.00  1.00 1000.000
1:CYS_5:HB1        1:CYS_5:HA          -1.000 2.491  1.00  1.00 1000.000
1:CYS_5:HB2        1:AR+N_1:HG1        -1.000 3.093  1.00  1.00 1000.000
1:CYS_5:HB2        1:AR+N_1:HG2        -1.000 3.122  1.00  1.00 1000.000
1:CYS_5:HB2        1:CYS_5:HN          -1.000 2.519  1.00  1.00 1000.000
1:TYR_6:HN         1:CYS_5:HN          -1.000 2.246 30.00 30.00 1000.000
1:TYR_6:HN         1:CYS_5:HA          -1.000 3.520 30.00 30.00 1000.000
1:TYR_6:HN         1:CYS_5:HB2         -1.000 4.148  1.00  1.00 1000.000
1:TYR_6:HA         1:TYR_6:HN          -1.000 3.095 30.00 30.00 1000.000
1:TYR_6:HB1        1:TYR_6:HN          -1.000 3.959  1.00  1.00 1000.000
1:TYR_6:HB1        1:TYR_6:HA          -1.000 2.453  1.00  1.00 1000.000
1:TYR_6:HB2        1:TYR_6:HN          -1.000 2.395  1.00  1.00 1000.000
1:TYR_6:HB2        1:TYR_6:HA          -1.000 2.938  1.00  1.00 1000.000
1:TYR_6:HD*        1:PRO_3:HA          -1.000 4.276  1.00  1.00 1000.000
1:TYR_6:HD*        1:TYR_6:HN          -1.000 2.427  1.00  1.00 1000.000
1:TYR_6:HD*        1:TYR_6:HA          -1.000 4.055  1.00  1.00 1000.000
1:TYR_6:HD*        1:TYR_6:HB1         -1.000 2.043  1.00  1.00 1000.000
1:TYR_6:HD*        1:TYR_6:HB2         -1.000 2.581  1.00  1.00 1000.000
1:TYR_6:HE*        1:AR+N_1:HB1        -1.000 3.342  1.00  1.00 1000.000
1:TYR_6:HE*        1:AR+N_1:HB2        -1.000 4.335  1.00  1.00 1000.000
1:TYR_6:HE*        1:AR+N_1:HG2        -1.000 3.445  1.00  1.00 1000.000
1:TYR_6:HE*        1:PRO_3:HA          -1.000 5.893  1.00  1.00 1000.000
1:HIS+_7:HN        1:CYS_5:HA          -1.000 4.347 30.00 30.00 1000.000
1:HIS+_7:HN        1:TYR_6:HN          -1.000 2.508 30.00 30.00 1000.000
1:HIS+_7:HN        1:TYR_6:HA           3.000 3.500 30.00 30.00 1000.000
1:HIS+_7:HN        1:TYR_6:HB2         -1.000 3.285  1.00  1.00 1000.000
1:HIS+_7:HB*       1:HIS+_7:HN         -1.000 3.060  1.00  1.00 1000.000
1:HIS+_7:HB*       1:HIS+_7:HA         -1.000 2.841  1.00  1.00 1000.000
1:HIS+_7:HD2       1:CYS_4:HA          -1.000 3.579  1.00  1.00 1000.000
1:HIS+_7:HD2       1:TYR_6:HB1         -1.000 5.059  1.00  1.00 1000.000
1:HIS+_7:HD2       1:TYR_6:HB2         -1.000 4.571  1.00  1.00 1000.000
1:HIS+_7:HD2       1:HIS+_7:HB*        -1.000 3.600  1.00  1.00 1000.000
1:PRO_8:HB1        1:PRO_8:HA          -1.000 2.122  1.00  1.00 1000.000
1:PRO_8:HB2        1:PRO_8:HA          -1.000 2.284  1.00  1.00 1000.000
1:PRO_8:HG1        1:PRO_8:HA          -1.000 4.987  1.00  1.00 1000.000
1:PRO_8:HG1        1:PRO_8:HB1         -1.000 2.212  1.00  1.00 1000.000
1:PRO_8:HD1        1:HIS+_7:HA         -1.000 2.509 30.00 30.00 1000.000
1:PRO_8:HD1        1:HIS+_7:HB*        -1.000 4.279  1.00  1.00 1000.000
1:PRO_8:HD1        1:PRO_8:HB1         -1.000 3.647  1.00  1.00 1000.000
1:PRO_8:HD1        1:PRO_8:HG1         -1.000 2.511  1.00  1.00 1000.000
1:PRO_8:HD1        1:PRO_8:HG2         -1.000 2.381  1.00  1.00 1000.000
1:PRO_8:HD2        1:HIS+_7:HA         -1.000 2.571 30.00 30.00 1000.000
1:PRO_8:HD2        1:HIS+_7:HB*        -1.000 3.982  1.00  1.00 1000.000
1:PRO_8:HD2        1:PRO_8:HB1         -1.000 5.340  1.00  1.00 1000.000
1:PRO_8:HD2        1:PRO_8:HG1         -1.000 2.507  1.00  1.00 1000.000
1:PRO_8:HD2        1:PRO_8:HG2         -1.000 2.461  1.00  1.00 1000.000
1:THR_9:HN         1:PRO_8:HA           3.000 3.500 30.00 30.00 1000.000
1:THR_9:HN         1:PRO_8:HB2         -1.000 6.509  1.00  1.00 1000.000
1:THR_9:HA         1:PRO_8:HB2         -1.000 3.709  1.00  1.00 1000.000
1:THR_9:HA         1:THR_9:HN          -1.000 3.081 30.00 30.00 1000.000
1:THR_9:HB         1:THR_9:HN          -1.000 3.279  1.00  1.00 1000.000
1:THR_9:HG2*       1:THR_9:HN          -1.000 3.605  1.00  1.00 1000.000
1:THR_9:HG2*       1:THR_9:HA          -1.000 2.837  1.00  1.00 1000.000
1:CYS_10:HN        1:HIS+_7:HB*        -1.000 3.674  1.00  1.00 1000.000
1:CYS_10:HN        1:THR_9:HN          -1.000 2.914 30.00 30.00 1000.000
1:CYS_10:HN        1:THR_9:HA          -1.000 3.656 30.00 30.00 1000.000
1:CYS_10:HA        1:CYS_4:HB1         -1.000 3.062  1.00  1.00 1000.000
1:CYS_10:HA        1:THR_9:HG2*        -1.000 4.000  1.00  1.00 1000.000
1:CYS_10:HA        1:CYS_10:HN         -1.000 3.089 30.00 30.00 1000.000
1:CYS_10:HB1       1:CYS_4:HB1         -1.000 2.868  1.00  1.00 1000.000
1:CYS_10:HB1       1:CYS_10:HN         -1.000 2.714  1.00  1.00 1000.000
1:CYS_10:HB2       1:CYS_4:HA          -1.000 3.516  1.00  1.00 1000.000
1:CYS_10:HB2       1:CYS_10:HN         -1.000 2.655  1.00  1.00 1000.000
1:CYS_10:HB2       1:CYS_10:HA         -1.000 2.088  1.00  1.00 1000.000
1:ASN_11:HN        1:HIS+_7:HN         -1.000 6.124 30.00 30.00 1000.000
1:ASN_11:HN        1:HIS+_7:HB*        -1.000 5.899  1.00  1.00 1000.000
1:ASN_11:HN        1:CYS_10:HN         -1.000 2.144 30.00 30.00 1000.000
1:ASN_11:HN        1:CYS_10:HB1        -1.000 4.090  1.00  1.00 1000.000
1:ASN_11:HN        1:CYS_10:HB2        -1.000 4.853  1.00  1.00 1000.000
1:ASN_11:HA        1:ASN_11:HN         -1.000 2.624 30.00 30.00 1000.000
1:ASN_11:HB1       1:CYS_5:HA          -1.000 2.754  1.00  1.00 1000.000
1:ASN_11:HB1       1:ASN_11:HN         -1.000 2.379  1.00  1.00 1000.000
1:ASN_11:HB1       1:ASN_11:HA         -1.000 2.172  1.00  1.00 1000.000
1:ASN_11:HB2       1:CYS_5:HA          -1.000 2.288  1.00  1.00 1000.000
1:ASN_11:HB2       1:ASN_11:HN         -1.000 2.330  1.00  1.00 1000.000
1:ASN_11:HB2       1:ASN_11:HA         -1.000 2.297  1.00  1.00 1000.000
1:ASN_11:HD21      1:CYS_5:HA          -1.000 3.149  1.00  1.00 1000.000
1:ASN_11:HD21      1:CYS_5:HB1         -1.000 3.139  1.00  1.00 1000.000
1:ASN_11:HD21      1:CYS_10:HB2        -1.000 5.489  1.00  1.00 1000.000
1:ASN_11:HD21      1:ASN_11:HB1        -1.000 3.283  1.00  1.00 1000.000
1:ASN_11:HD21      1:ASN_11:HB2        -1.000 2.477  1.00  1.00 1000.000
1:ASN_11:HD22      1:CYS_5:HB1         -1.000 3.910  1.00  1.00 1000.000
1:ASN_11:HD22      1:CYS_10:HB2        -1.000 3.205  1.00  1.00 1000.000
1:ASN_11:HD22      1:ASN_11:HB1        -1.000 5.328  1.00  1.00 1000.000
1:ASN_11:HD22      1:ASN_11:HB2        -1.000 4.869  1.00  1.00 1000.000
1:MET_12:HN        1:THR_9:HA          -1.000 4.195 30.00 30.00 1000.000
1:MET_12:HN        1:ASN_11:HN         -1.000 2.917 30.00 30.00 1000.000
1:MET_12:HN        1:ASN_11:HA         -1.000 3.322 30.00 30.00 1000.000
1:MET_12:HN        1:ASN_11:HB1        -1.000 2.450  1.00  1.00 1000.000
1:MET_12:HN        1:ASN_11:HB2        -1.000 3.324  1.00  1.00 1000.000
1:MET_12:HA        1:ASN_11:HB1        -1.000 5.020  1.00  1.00 1000.000
1:MET_12:HA        1:MET_12:HN         -1.000 3.094 30.00 30.00 1000.000
1:MET_12:HB*       1:THR_9:HA          -1.000 4.025  1.00  1.00 1000.000
1:MET_12:HB*       1:MET_12:HN         -1.000 2.801  1.00  1.00 1000.000
1:MET_12:HG*       1:THR_9:HA          -1.000 4.964  1.00  1.00 1000.000
1:MET_12:HG*       1:ASN_11:HA         -1.000 3.067  1.00  1.00 1000.000
1:MET_12:HG*       1:MET_12:HN         -1.000 3.480  1.00  1.00 1000.000
1:MET_12:HG*       1:MET_12:HA         -1.000 3.669  1.00  1.00 1000.000
1:MET_12:HG*       1:MET_12:HB*        -1.000 2.664  1.00  1.00 1000.000
1:SER_13:HN        1:MET_12:HN         -1.000 3.065 30.00 30.00 1000.000
1:SER_13:HN        1:MET_12:HA         -1.000 3.498 30.00 30.00 1000.000
1:SER_13:HN        1:MET_12:HB*        -1.000 5.535  1.00  1.00 1000.000
1:SER_13:HA        1:SER_13:HN         -1.000 3.433 30.00 30.00 1000.000
1:SER_13:HB*       1:CYS_10:HA         -1.000 3.645  1.00  1.00 1000.000
1:SER_13:HB*       1:MET_12:HG*        -1.000 5.871  1.00  1.00 1000.000
1:SER_13:HB*       1:SER_13:HN         -1.000 3.462  1.00  1.00 1000.000
1:SER_13:HB*       1:SER_13:HA         -1.000 2.643  1.00  1.00 1000.000
1:ASN_14:HN        1:MET_12:HA         -1.000 4.749 30.00 30.00 1000.000
1:ASN_14:HN        1:SER_13:HA         -1.000 3.500 30.00 30.00 1000.000
1:ASN_14:HN        1:SER_13:HB*        -1.000 3.659  1.00  1.00 1000.000
1:ASN_14:HA        1:ASN_14:HN         -1.000 3.300 30.00 30.00 1000.000
1:ASN_14:HB*       1:ASN_14:HN         -1.000 2.985  1.00  1.00 1000.000
1:ASN_14:HB*       1:ASN_14:HA         -1.000 2.622  1.00  1.00 1000.000
1:ASN_14:HD21      1:SER_13:HB*        -1.000 3.523  1.00  1.00 1000.000
1:ASN_14:HD21      1:ASN_14:HN         -1.000 4.518  1.00  1.00 1000.000
1:ASN_14:HD22      1:SER_13:HB*        -1.000 4.252  1.00  1.00 1000.000
1:ASN_14:HD22      1:ASN_14:HB*        -1.000 3.178  1.00  1.00 1000.000
1:PRO_15:HA        1:ASN_14:HB*        -1.000 3.551  1.00  1.00 1000.000
1:PRO_15:HB1       1:PRO_15:HA         -1.000 2.221  1.00  1.00 1000.000
1:PRO_15:HB2       1:PRO_15:HA         -1.000 2.502  1.00  1.00 1000.000
1:PRO_15:HD1       1:ASN_14:HN         -1.000 4.562  1.00  1.00 1000.000
1:PRO_15:HD1       1:ASN_14:HA         -1.000 2.331 30.00 30.00 1000.000
1:PRO_15:HD1       1:PRO_15:HB1        -1.000 4.043  1.00  1.00 1000.000
1:PRO_15:HD1       1:PRO_15:HG1        -1.000 2.603  1.00  1.00 1000.000
1:PRO_15:HD1       1:PRO_15:HG2        -1.000 2.190  1.00  1.00 1000.000
1:PRO_15:HD2       1:ASN_14:HN         -1.000 3.206  1.00  1.00 1000.000
1:PRO_15:HD2       1:ASN_14:HA         -1.000 2.225 30.00 30.00 1000.000
1:PRO_15:HD2       1:PRO_15:HA         -1.000 4.097  1.00  1.00 1000.000
1:PRO_15:HD2       1:PRO_15:HB1        -1.000 2.895  1.00  1.00 1000.000
1:PRO_15:HD2       1:PRO_15:HG1        -1.000 2.585  1.00  1.00 1000.000
1:PRO_15:HD2       1:PRO_15:HG2        -1.000 2.805  1.00  1.00 1000.000
1:GLN_16:HN        1:PRO_15:HB2        -1.000 3.308  1.00  1.00 1000.000
1:GLN_16:HN        1:PRO_15:HD1        -1.000 4.919  1.00  1.00 1000.000
1:GLN_16:HN        1:PRO_15:HA          3.000 3.500 30.00 30.00 1000.000
1:GLN_16:HA        1:PRO_15:HA         -1.000 4.764 30.00 30.00 1000.000
1:GLN_16:HA        1:PRO_15:HB2        -1.000 3.615  1.00  1.00 1000.000
1:GLN_16:HA        1:GLN_16:HN         -1.000 3.477 30.00 30.00 1000.000
1:GLN_16:HB*       1:GLN_16:HN         -1.000 2.341  1.00  1.00 1000.000
1:GLN_16:HB*       1:GLN_16:HA         -1.000 2.349  1.00  1.00 1000.000
1:GLN_16:HG1       1:GLN_16:HA         -1.000 3.151  1.00  1.00 1000.000
1:GLN_16:HG1       1:GLN_16:HB*        -1.000 2.684  1.00  1.00 1000.000
1:GLN_16:HG2       1:GLN_16:HA         -1.000 3.462  1.00  1.00 1000.000
1:GLN_16:HE21      1:GLN_16:HG1        -1.000 3.359  1.00  1.00 1000.000
1:GLN_16:HE21      1:GLN_16:HG2        -1.000 3.019  1.00  1.00 1000.000
1:ILE_17:HN        1:ASN_14:HB*        -1.000 3.591  1.00  1.00 1000.000
1:ILE_17:HN        1:GLN_16:HN         -1.000 2.879 30.00 30.00 1000.000
1:ILE_17:HN        1:GLN_16:HA         -1.000 3.432 30.00 30.00 1000.000
1:ILE_17:HN        1:GLN_16:HB*        -1.000 4.659  1.00  1.00 1000.000
1:ILE_17:HA        1:ILE_17:HN         -1.000 3.059 30.00 30.00 1000.000
1:ILE_17:HB        1:ILE_17:HN         -1.000 2.694  1.00  1.00 1000.000
1:ILE_17:HB        1:ILE_17:HA         -1.000 2.602  1.00  1.00 1000.000
1:ILE_17:HG2*      1:ASP_2:HB1         -1.000 3.472  1.00  1.00 1000.000
1:ILE_17:HG2*      1:ASP_2:HB2         -1.000 3.559  1.00  1.00 1000.000
1:ILE_17:HG2*      1:GLN_16:HG2        -1.000 6.176  1.00  1.00 1000.000
1:ILE_17:HG2*      1:ILE_17:HN         -1.000 4.567  1.00  1.00 1000.000
1:ILE_17:HG11      1:GLN_16:HE21       -1.000 7.285  1.00  1.00 1000.000
1:ILE_17:HG11      1:ILE_17:HN         -1.000 3.012  1.00  1.00 1000.000
1:ILE_17:HG11      1:ILE_17:HA         -1.000 3.495  1.00  1.00 1000.000
1:ILE_17:HG11      1:ILE_17:HG2*       -1.000 4.694  1.00  1.00 1000.000
1:ILE_17:HG12      1:ILE_17:HN         -1.000 2.713  1.00  1.00 1000.000
1:ILE_17:HG12      1:ILE_17:HA         -1.000 2.706  1.00  1.00 1000.000
1:ILE_17:HG12      1:ILE_17:HB         -1.000 2.833  1.00  1.00 1000.000
1:ILE_17:HG12      1:ILE_17:HG2*       -1.000 3.375  1.00  1.00 1000.000
1:ILE_17:HD1*      1:ASP_2:HB1         -1.000 4.962  1.00  1.00 1000.000
1:ILE_17:HD1*      1:ASP_2:HB2         -1.000 4.772  1.00  1.00 1000.000
1:ILE_17:HD1*      1:ASN_14:HD22       -1.000 5.221  1.00  1.00 1000.000
1:ILE_17:HD1*      1:GLN_16:HG1        -1.000 4.523  1.00  1.00 1000.000
1:ILE_17:HD1*      1:ILE_17:HA         -1.000 3.738  1.00  1.00 1000.000
1:ILE_17:HD1*      1:ILE_17:HB         -1.000 2.976  1.00  1.00 1000.000
1:CYS_18:HN        1:PRO_15:HA         -1.000 3.692 30.00 30.00 1000.000
1:CYS_18:HN        1:ILE_17:HA         -1.000 2.996 30.00 30.00 1000.000
1:CYS_18:HN        1:ILE_17:HB         -1.000 3.041  1.00  1.00 1000.000
1:CYS_18:HB1       1:CYS_5:HB1         -1.000 3.178  1.00  1.00 1000.000
1:CYS_18:HB1       1:CYS_18:HN         -1.000 6.918  1.00  1.00 1000.000
1:CYS_18:HB2       1:CYS_5:HA          -1.000 2.862  1.00  1.00 1000.000
1:CYS_18:HB2       1:ILE_17:HB         -1.000 2.532  1.00  1.00 1000.000
1:CYS_18:HB2       1:ILE_17:HG2*       -1.000 3.959  1.00  1.00 1000.000
1:CYS_18:HB2       1:ILE_17:HG11       -1.000 2.616  1.00  1.00 1000.000
1:CYS_18:HB2       1:ILE_17:HG12       -1.000 2.421  1.00  1.00 1000.000
1:CYS_18:HB2       1:ILE_17:HD1*       -1.000 3.073  1.00  1.00 1000.000
1:CYS_18:HB2       1:CYS_18:HN         -1.000 1.999  1.00  1.00 1000.000
!
#mixing_times
2.000000E-02
!
#NMR_dihedral
1:AR+N_1:C         1:ASP_2:N          1:ASP_2:CA         1:ASP_2:C          -90.000 -30.000 100.00 100.00 100.000
1:PRO_3:C          1:CYS_4:N          1:CYS_4:CA         1:CYS_4:C          -90.000 -30.000 100.00 100.00 100.000
1:CYS_4:C          1:CYS_5:N          1:CYS_5:CA         1:CYS_5:C          -90.000 -30.000 100.00 100.00 100.000
1:CYS_10:C         1:ASN_11:N         1:ASN_11:CA        1:ASN_11:C         -90.000 -30.000 100.00 100.00 100.000
1:ASN_11:C         1:MET_12:N         1:MET_12:CA        1:MET_12:C         -90.000 -30.000 100.00 100.00 100.000
1:CYS_5:C          1:TYR_6:N          1:TYR_6:CA         1:TYR_6:C         -150.000 -90.000 100.00 100.00 100.000
1:TYR_6:C          1:HIS+_7:N         1:HIS+_7:CA        1:HIS+_7:C        -150.000 -90.000 100.00 100.00 100.000
1:SER_13:C         1:ASN_14:N         1:ASN_14:CA        1:ASN_14:C        -150.000 -90.000 100.00 100.00 100.000
1:GLN_16:C         1:ILE_17:N         1:ILE_17:CA        1:ILE_17:C        -150.000 -90.000 100.00 100.00 100.000
1:ILE_17:C         1:CYS_18:N         1:CYS_18:CA        1:CYS_18:C        -150.000 -90.000 100.00 100.00 100.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -7.146  -2.666   6.363
    2   2H    ARG   1          2H        ARG   1  -7.050  -1.201   7.088
    3   3H    ARG   1          3H        ARG   1  -6.697  -2.580   7.969
    4    HA   ARG   1           HA       ARG   1  -4.551  -1.950   7.466
    5   1HB   ARG   1          1HB       ARG   1  -5.372  -3.921   5.806
    6   2HB   ARG   1          2HB       ARG   1  -5.200  -2.594   4.627
    7   1HG   ARG   1          2HG       ARG   1  -3.505  -3.920   4.388
    8   2HG   ARG   1          1HG       ARG   1  -2.837  -2.443   5.110
    9   1HD   ARG   1          1HD       ARG   1  -2.751  -3.600   7.362
   10   2HD   ARG   1          2HD       ARG   1  -3.467  -5.035   6.636
   11    HE   ARG   1           HE       ARG   1  -1.473  -5.705   5.829
   12   1HH1  ARG   1          2HH1      ARG   1  -1.149  -2.265   6.680
   13   2HH1  ARG   1          1HH1      ARG   1   0.548  -2.224   6.240
   14   1HH2  ARG   1          1HH2      ARG   1   0.843  -5.602   5.418
   15   2HH2  ARG   1          2HH2      ARG   1   1.626  -4.045   5.592
   16    H    ASP   2           H        ASP   2  -3.151  -0.559   6.001
   17    HA   ASP   2           HA       ASP   2  -4.267   1.986   5.519
   18   1HB   ASP   2          2HB       ASP   2  -1.891   1.693   5.799
   19   2HB   ASP   2          1HB       ASP   2  -1.799   0.698   4.329
   20    HA   HYP   3           HA       HYP   3  -6.699   1.164   1.819
   21   1HB   HYP   3          1HB       HYP   3  -5.622   3.878   1.055
   22   2HB   HYP   3          2HB       HYP   3  -7.279   3.252   0.834
   23   1HD   HYP   3          1HD       HYP   3  -5.787   3.178   4.721
   24   2HD   HYP   3          2HD       HYP   3  -4.675   3.892   3.517
   25    HOD  HYP   3           HOD      HYP   3  -7.813   2.217   3.404
   26    HG   HYP   3           HG       HYP   3  -6.784   4.861   2.917
   27    H    CYS   4           H        CYS   4  -3.343   2.490   1.359
   28    HA   CYS   4           HA       CYS   4  -3.359   1.765  -1.443
   29   1HB   CYS   4          2HB       CYS   4  -1.185   2.746   0.456
   30   2HB   CYS   4          1HB       CYS   4  -0.835   2.279  -1.220
   31    H    CYS   5           H        CYS   5  -2.574   0.071   1.561
   32    HA   CYS   5           HA       CYS   5  -0.788  -1.846   0.307
   33   1HB   CYS   5          1HB       CYS   5  -0.309  -1.530   2.035
   34   2HB   CYS   5          2HB       CYS   5  -1.869  -1.640   2.979
   35    H    TYR   6           H        TYR   6  -4.263  -1.491   0.274
   36    HA   TYR   6           HA       TYR   6  -4.726  -4.292  -0.598
   37   1HB   TYR   6          2HB       TYR   6  -6.522  -1.848  -0.565
   38   2HB   TYR   6          1HB       TYR   6  -7.046  -3.499  -0.857
   39    HD1  TYR   6           HD1      TYR   6  -7.075  -1.026   1.546
   40    HD2  TYR   6           HD2      TYR   6  -6.033  -5.183   1.163
   41    HE1  TYR   6           HE1      TYR   6  -7.576  -1.389   3.946
   42    HE2  TYR   6           HE2      TYR   6  -6.519  -5.525   3.562
   43    HH   TYR   6           HH       TYR   6  -8.030  -4.654   5.252
   44    H    HIS   7           H        HIS   7  -3.292  -1.658  -2.081
   45    HA   HIS   7           HA       HIS   7  -4.413  -2.266  -4.790
   46   1HB   HIS   7          2HB       HIS   7  -3.959   0.469  -3.580
   47   2HB   HIS   7          1HB       HIS   7  -4.524   0.114  -5.216
   48    HD1  HIS   7           HD1      HIS   7  -6.612  -2.198  -3.961
   49    HD2  HIS   7           HD2      HIS   7  -6.200   1.851  -2.854
   50    HE1  HIS   7           HE1      HIS   7  -8.855  -1.449  -2.982
   51    HE2  HIS   7           HE2      HIS   7  -8.610   1.014  -2.285
   52    HA   PRO   8           HA       PRO   8   0.040  -3.267  -4.292
   53   1HB   PRO   8          2HB       PRO   8  -0.397  -3.426  -7.271
   54   2HB   PRO   8          1HB       PRO   8   0.709  -4.396  -6.249
   55   1HG   PRO   8          2HG       PRO   8  -1.757  -5.374  -6.796
   56   2HG   PRO   8          1HG       PRO   8  -1.107  -5.464  -5.135
   57   1HD   PRO   8          2HD       PRO   8  -3.175  -3.602  -6.227
   58   2HD   PRO   8          1HD       PRO   8  -3.030  -4.303  -4.589
   59    H    THR   9           H        THR   9  -0.330  -1.333  -7.256
   60    HA   THR   9           HA       THR   9   2.070  -0.053  -7.214
   61    HB   THR   9           HB       THR   9   0.498   0.032  -9.058
   62    HG1  THR   9           HG1      THR   9   2.171   1.570  -8.973
   63   1HG2  THR   9          1HG2      THR   9  -1.592   0.566  -7.738
   64   2HG2  THR   9          2HG2      THR   9  -1.330   1.598  -9.158
   65   3HG2  THR   9          3HG2      THR   9  -0.979   2.227  -7.545
   66    H    CYS  10           H        CYS  10  -0.731   0.865  -5.331
   67    HA   CYS  10           HA       CYS  10  -0.048   3.499  -4.300
   68   1HB   CYS  10          2HB       CYS  10  -2.204   2.000  -4.527
   69   2HB   CYS  10          1HB       CYS  10  -1.745   1.512  -2.953
   70    H    ASN  11           H        ASN  11   0.593   0.174  -3.151
   71    HA   ASN  11           HA       ASN  11   2.121   1.286  -1.009
   72   1HB   ASN  11          1HB       ASN  11   1.912  -0.806   0.052
   73   2HB   ASN  11          2HB       ASN  11   0.396  -0.236  -0.546
   74   1HD2  ASN  11          1HD2      ASN  11  -0.746  -1.624  -1.419
   75   2HD2  ASN  11          2HD2      ASN  11  -0.319  -3.264  -1.742
   76    H    MET  12           H        MET  12   2.684  -0.302  -3.950
   77    HA   MET  12           HA       MET  12   5.528  -0.767  -3.551
   78   1HB   MET  12          1HB       MET  12   4.046   0.092  -6.075
   79   2HB   MET  12          2HB       MET  12   5.728  -0.462  -5.998
   80   1HG   MET  12          2HG       MET  12   4.996  -2.574  -4.973
   81   2HG   MET  12          1HG       MET  12   3.314  -2.087  -5.103
   82   1HE   MET  12          1HE       MET  12   4.833  -4.823  -6.279
   83   2HE   MET  12          2HE       MET  12   3.082  -4.550  -6.141
   84   3HE   MET  12          3HE       MET  12   3.787  -5.035  -7.701
   85    H    SER  13           H        SER  13   3.576   2.038  -4.394
   86    HA   SER  13           HA       SER  13   5.756   3.954  -4.254
   87   1HB   SER  13          2HB       SER  13   2.735   4.328  -4.148
   88   2HB   SER  13          1HB       SER  13   3.942   5.585  -4.452
   89    HG   SER  13           HG       SER  13   3.270   3.336  -6.046
   90    H    ASN  14           H        ASN  14   4.809   2.144  -1.714
   91    HA   ASN  14           HA       ASN  14   5.508   3.973   0.177
   92   1HB   ASN  14          1HB       ASN  14   2.581   3.013   0.338
   93   2HB   ASN  14          2HB       ASN  14   3.472   3.676   1.705
   94   1HD2  ASN  14          2HD2      ASN  14   1.894   4.502  -1.351
   95   2HD2  ASN  14          1HD2      ASN  14   1.939   6.239  -1.071
   96    HA   PRO  15           HA       PRO  15   6.425  -0.558   0.399
   97   1HB   PRO  15          2HB       PRO  15   8.899   0.843   1.463
   98   2HB   PRO  15          1HB       PRO  15   8.815  -0.651   0.489
   99   1HG   PRO  15          2HG       PRO  15   9.419   1.706  -0.730
  100   2HG   PRO  15          1HG       PRO  15   8.255   0.582  -1.492
  101   1HD   PRO  15          2HD       PRO  15   7.606   3.061   0.109
  102   2HD   PRO  15          1HD       PRO  15   6.913   2.537  -1.365
  103    H    GLN  16           H        GLN  16   7.131   2.033   2.667
  104    HA   GLN  16           HA       GLN  16   7.330   1.056   5.091
  105   1HB   GLN  16          2HB       GLN  16   6.071   3.040   5.915
  106   2HB   GLN  16          1HB       GLN  16   7.313   3.392   4.707
  107   1HG   GLN  16          2HG       GLN  16   5.628   3.631   2.951
  108   2HG   GLN  16          1HG       GLN  16   4.336   3.203   4.092
  109   1HE2  GLN  16          1HE2      GLN  16   4.225   5.718   2.631
  110   2HE2  GLN  16          2HE2      GLN  16   4.518   6.952   3.823
  111    H    ILE  17           H        ILE  17   4.224   0.918   3.424
  112    HA   ILE  17           HA       ILE  17   2.970  -0.011   5.927
  113    HB   ILE  17           HB       ILE  17   0.877  -0.133   4.373
  114   1HG1  ILE  17          2HG1      ILE  17   2.528   1.851   2.843
  115   2HG1  ILE  17          1HG1      ILE  17   2.277   0.181   2.297
  116   1HG2  ILE  17          1HG2      ILE  17   1.145   1.442   6.226
  117   2HG2  ILE  17          2HG2      ILE  17   2.135   2.510   5.201
  118   3HG2  ILE  17          3HG2      ILE  17   0.417   2.254   4.839
  119   1HD1  ILE  17          1HD1      ILE  17  -0.234   0.721   2.419
  120   2HD1  ILE  17          2HD1      ILE  17   0.273   2.421   2.586
  121   3HD1  ILE  17          3HD1      ILE  17   0.717   1.507   1.137
  122    H    CYS  18           H        CYS  18   4.171  -1.392   3.216
  123    HA   CYS  18           HA       CYS  18   2.566  -3.928   3.592
  124   1HB   CYS  18          2HB       CYS  18   1.626  -1.926   2.101
  125   2HB   CYS  18          1HB       CYS  18   2.656  -2.619   0.910
  126   1HN   NH2  19          1HN       NH2  19   6.167  -4.080   1.720
  127   2HN   NH2  19          2HN       NH2  19   5.562  -2.546   2.310
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -6.014  -3.198   7.045
    2   2H    ARG   1          2H        ARG   1  -5.598  -2.159   8.245
    3   3H    ARG   1          3H        ARG   1  -5.144  -3.760   8.354
    4    HA   ARG   1           HA       ARG   1  -3.255  -2.442   7.632
    5   1HB   ARG   1          2HB       ARG   1  -3.400  -4.664   6.704
    6   2HB   ARG   1          1HB       ARG   1  -4.594  -4.181   5.553
    7   1HG   ARG   1          1HG       ARG   1  -2.732  -4.418   4.287
    8   2HG   ARG   1          2HG       ARG   1  -2.923  -2.703   4.452
    9   1HD   ARG   1          2HD       ARG   1  -0.638  -2.890   4.971
   10   2HD   ARG   1          1HD       ARG   1  -1.221  -3.218   6.606
   11    HE   ARG   1           HE       ARG   1  -1.219  -5.664   5.182
   12   1HH1  ARG   1          1HH2      ARG   1   1.241  -3.339   6.312
   13   2HH1  ARG   1          2HH2      ARG   1   2.522  -4.507   6.220
   14   1HH2  ARG   1          1HH1      ARG   1   0.603  -7.051   4.750
   15   2HH2  ARG   1          2HH1      ARG   1   2.194  -6.359   4.924
   16    H    ASP   2           H        ASP   2  -2.386  -0.958   5.923
   17    HA   ASP   2           HA       ASP   2  -4.018   1.334   5.810
   18   1HB   ASP   2          2HB       ASP   2  -1.603   1.466   5.934
   19   2HB   ASP   2          1HB       ASP   2  -1.458   0.664   4.356
   20    HA   HYP   3           HA       HYP   3  -6.529   0.948   2.077
   21   1HB   HYP   3          1HB       HYP   3  -5.371   3.713   1.754
   22   2HB   HYP   3          2HB       HYP   3  -6.999   3.143   1.275
   23   1HD   HYP   3          1HD       HYP   3  -5.814   2.336   5.193
   24   2HD   HYP   3          2HD       HYP   3  -4.693   3.376   4.270
   25    HOD  HYP   3           HOD      HYP   3  -8.112   2.701   4.611
   26    HG   HYP   3           HG       HYP   3  -6.746   4.338   3.647
   27    H    CYS   4           H        CYS   4  -3.194   2.373   1.587
   28    HA   CYS   4           HA       CYS   4  -3.318   1.782  -1.252
   29   1HB   CYS   4          2HB       CYS   4  -1.130   2.745   0.604
   30   2HB   CYS   4          1HB       CYS   4  -0.767   2.323  -1.086
   31    H    CYS   5           H        CYS   5  -2.432  -0.109   1.613
   32    HA   CYS   5           HA       CYS   5  -0.574  -1.780   0.166
   33   1HB   CYS   5          1HB       CYS   5  -0.054  -1.782   1.981
   34   2HB   CYS   5          2HB       CYS   5  -1.618  -1.947   2.863
   35    H    TYR   6           H        TYR   6  -4.067  -1.676   0.300
   36    HA   TYR   6           HA       TYR   6  -4.393  -4.432  -0.723
   37   1HB   TYR   6          2HB       TYR   6  -6.396  -2.178  -0.653
   38   2HB   TYR   6          1HB       TYR   6  -6.741  -3.898  -0.697
   39    HD1  TYR   6           HD1      TYR   6  -6.778  -1.085   1.303
   40    HD2  TYR   6           HD2      TYR   6  -5.612  -5.219   1.481
   41    HE1  TYR   6           HE1      TYR   6  -6.843  -0.997   3.782
   42    HE2  TYR   6           HE2      TYR   6  -5.895  -5.192   3.950
   43    HH   TYR   6           HH       TYR   6  -6.901  -2.156   5.602
   44    H    HIS   7           H        HIS   7  -3.166  -1.667  -2.132
   45    HA   HIS   7           HA       HIS   7  -4.400  -2.159  -4.813
   46   1HB   HIS   7          1HB       HIS   7  -3.932   0.522  -3.491
   47   2HB   HIS   7          2HB       HIS   7  -4.593   0.229  -5.103
   48    HD1  HIS   7           HD1      HIS   7  -6.560  -2.178  -3.897
   49    HD2  HIS   7           HD2      HIS   7  -6.116   1.756  -2.451
   50    HE1  HIS   7           HE1      HIS   7  -8.737  -1.561  -2.705
   51    HE2  HIS   7           HE2      HIS   7  -8.467   0.827  -1.793
   52    HA   PRO   8           HA       PRO   8   0.047  -3.120  -4.661
   53   1HB   PRO   8          2HB       PRO   8  -0.492  -3.025  -7.628
   54   2HB   PRO   8          1HB       PRO   8   0.645  -4.078  -6.728
   55   1HG   PRO   8          2HG       PRO   8  -1.843  -5.003  -7.284
   56   2HG   PRO   8          1HG       PRO   8  -1.145  -5.240  -5.659
   57   1HD   PRO   8          2HD       PRO   8  -3.232  -3.274  -6.519
   58   2HD   PRO   8          1HD       PRO   8  -3.050  -4.136  -4.963
   59    H    THR   9           H        THR   9  -0.405  -0.961  -7.479
   60    HA   THR   9           HA       THR   9   1.861   0.420  -7.506
   61    HB   THR   9           HB       THR   9  -0.894   1.678  -7.814
   62    HG1  THR   9           HG1      THR   9   0.534   0.051  -9.643
   63   1HG2  THR   9          1HG2      THR   9   0.177   2.865  -9.698
   64   2HG2  THR   9          2HG2      THR   9   0.963   3.254  -8.158
   65   3HG2  THR   9          3HG2      THR   9   1.742   2.123  -9.284
   66    H    CYS  10           H        CYS  10  -0.780   1.047  -5.267
   67    HA   CYS  10           HA       CYS  10  -0.022   3.632  -4.124
   68   1HB   CYS  10          2HB       CYS  10  -2.217   2.154  -4.370
   69   2HB   CYS  10          1HB       CYS  10  -1.722   1.611  -2.827
   70    H    ASN  11           H        ASN  11   0.612   0.219  -3.260
   71    HA   ASN  11           HA       ASN  11   2.336   1.125  -1.165
   72   1HB   ASN  11          1HB       ASN  11   2.173  -1.028  -0.247
   73   2HB   ASN  11          2HB       ASN  11   0.619  -0.350  -0.652
   74   1HD2  ASN  11          2HD2      ASN  11  -0.659  -1.520  -1.960
   75   2HD2  ASN  11          1HD2      ASN  11  -0.333  -3.036  -1.285
   76    H    MET  12           H        MET  12   2.649  -0.047  -4.296
   77    HA   MET  12           HA       MET  12   5.495  -0.689  -4.094
   78   1HB   MET  12          2HB       MET  12   3.917   0.474  -6.432
   79   2HB   MET  12          1HB       MET  12   5.581  -0.132  -6.494
   80   1HG   MET  12          2HG       MET  12   4.839  -2.342  -5.745
   81   2HG   MET  12          1HG       MET  12   3.189  -1.783  -5.596
   82   1HE   MET  12          1HE       MET  12   5.311  -2.442  -9.651
   83   2HE   MET  12          2HE       MET  12   6.067  -2.675  -8.060
   84   3HE   MET  12          3HE       MET  12   5.707  -1.033  -8.650
   85    H    SER  13           H        SER  13   3.597   2.223  -4.677
   86    HA   SER  13           HA       SER  13   5.741   4.112  -4.539
   87   1HB   SER  13          1HB       SER  13   2.780   4.457  -3.901
   88   2HB   SER  13          2HB       SER  13   3.945   5.753  -4.201
   89    HG   SER  13           HG       SER  13   3.067   3.721  -5.983
   90    H    ASN  14           H        ASN  14   3.793   2.517  -2.065
   91    HA   ASN  14           HA       ASN  14   5.519   3.727   0.080
   92   1HB   ASN  14          2HB       ASN  14   2.534   3.092   0.221
   93   2HB   ASN  14          1HB       ASN  14   3.557   3.632   1.553
   94   1HD2  ASN  14          2HD2      ASN  14   2.028   4.624  -1.478
   95   2HD2  ASN  14          1HD2      ASN  14   2.194   6.358  -1.176
   96    HA   PRO  15           HA       PRO  15   5.862  -0.849   0.416
   97   1HB   PRO  15          2HB       PRO  15   8.544   0.058   1.457
   98   2HB   PRO  15          1HB       PRO  15   8.177  -1.308   0.366
   99   1HG   PRO  15          2HG       PRO  15   9.275   1.007  -0.598
  100   2HG   PRO  15          1HG       PRO  15   8.039   0.098  -1.516
  101   1HD   PRO  15          1HD       PRO  15   7.637   2.615   0.102
  102   2HD   PRO  15          2HD       PRO  15   6.933   2.095  -1.450
  103    H    GLN  16           H        GLN  16   6.912   1.787   2.471
  104    HA   GLN  16           HA       GLN  16   7.255   0.859   4.906
  105   1HB   GLN  16          1HB       GLN  16   6.527   3.049   5.748
  106   2HB   GLN  16          2HB       GLN  16   7.504   3.163   4.278
  107   1HG   GLN  16          1HG       GLN  16   5.374   3.422   2.943
  108   2HG   GLN  16          2HG       GLN  16   4.482   3.475   4.471
  109   1HE2  GLN  16          1HE2      GLN  16   4.580   5.715   2.456
  110   2HE2  GLN  16          2HE2      GLN  16   5.363   6.997   3.334
  111    H    ILE  17           H        ILE  17   4.066   1.077   3.515
  112    HA   ILE  17           HA       ILE  17   2.761   0.517   6.087
  113    HB   ILE  17           HB       ILE  17   0.704   0.455   4.474
  114   1HG1  ILE  17          1HG1      ILE  17   2.569   2.023   2.712
  115   2HG1  ILE  17          2HG1      ILE  17   2.255   0.295   2.497
  116   1HG2  ILE  17          1HG2      ILE  17   0.505   2.929   4.540
  117   2HG2  ILE  17          2HG2      ILE  17   2.219   3.038   4.983
  118   3HG2  ILE  17          3HG2      ILE  17   1.054   2.248   6.078
  119   1HD1  ILE  17          1HD1      ILE  17   0.265   2.545   2.341
  120   2HD1  ILE  17          2HD1      ILE  17  -0.172   0.812   2.291
  121   3HD1  ILE  17          3HD1      ILE  17   0.854   1.513   1.017
  122    H    CYS  18           H        CYS  18   3.875  -1.216   3.560
  123    HA   CYS  18           HA       CYS  18   1.785  -3.346   3.831
  124   1HB   CYS  18          2HB       CYS  18   1.877  -1.746   1.858
  125   2HB   CYS  18          1HB       CYS  18   3.199  -2.632   1.285
  126   1HN   NH2  19          1HN       NH2  19   5.236  -2.869   2.897
  127   2HN   NH2  19          2HN       NH2  19   5.731  -4.495   3.342
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -6.494  -2.116   7.134
    2   2H    ARG   1          2H        ARG   1  -5.775  -3.211   8.176
    3   3H    ARG   1          3H        ARG   1  -5.963  -1.611   8.591
    4    HA   ARG   1           HA       ARG   1  -3.774  -1.654   7.943
    5   1HB   ARG   1          2HB       ARG   1  -4.100  -3.985   6.827
    6   2HB   ARG   1          1HB       ARG   1  -4.645  -3.068   5.418
    7   1HG   ARG   1          2HG       ARG   1  -2.429  -3.715   5.029
    8   2HG   ARG   1          1HG       ARG   1  -2.405  -1.981   5.258
    9   1HD   ARG   1          2HD       ARG   1  -1.590  -2.139   7.527
   10   2HD   ARG   1          1HD       ARG   1  -1.824  -3.888   7.585
   11    HE   ARG   1           HE       ARG   1   0.379  -2.327   6.432
   12   1HH1  ARG   1          2HH1      ARG   1  -1.204  -5.462   6.149
   13   2HH1  ARG   1          1HH1      ARG   1   0.278  -6.359   5.949
   14   1HH2  ARG   1          1HH2      ARG   1   2.270  -3.430   6.258
   15   2HH2  ARG   1          2HH2      ARG   1   2.339  -5.086   5.711
   16    H    ASP   2           H        ASP   2  -2.822  -0.174   6.317
   17    HA   ASP   2           HA       ASP   2  -4.299   2.011   5.512
   18   1HB   ASP   2          1HB       ASP   2  -1.772   1.052   4.154
   19   2HB   ASP   2          2HB       ASP   2  -2.297   2.695   4.503
   20    HA   HYP   3           HA       HYP   3  -6.681  -0.363   2.507
   21   1HB   HYP   3          1HB       HYP   3  -8.350   1.058   1.571
   22   2HB   HYP   3          2HB       HYP   3  -7.210   2.432   1.429
   23   1HD   HYP   3          1HD       HYP   3  -6.411   1.970   5.107
   24   2HD   HYP   3          2HD       HYP   3  -6.000   3.145   3.824
   25    HOD  HYP   3           HOD      HYP   3  -8.585   1.159   5.064
   26    HG   HYP   3           HG       HYP   3  -8.363   2.912   3.507
   27    H    CYS   4           H        CYS   4  -4.582   2.226   1.341
   28    HA   CYS   4           HA       CYS   4  -4.348   1.481  -1.419
   29   1HB   CYS   4          1HB       CYS   4  -2.864   3.296  -1.522
   30   2HB   CYS   4          2HB       CYS   4  -3.867   3.666  -0.125
   31    H    CYS   5           H        CYS   5  -2.815   0.053   1.478
   32    HA   CYS   5           HA       CYS   5  -0.707  -1.301   0.068
   33   1HB   CYS   5          1HB       CYS   5  -0.187  -1.615   1.924
   34   2HB   CYS   5          2HB       CYS   5  -1.785  -1.584   2.759
   35    H    TYR   6           H        TYR   6  -4.209  -1.867   0.233
   36    HA   TYR   6           HA       TYR   6  -3.981  -4.507  -1.117
   37   1HB   TYR   6          2HB       TYR   6  -6.395  -2.838  -0.366
   38   2HB   TYR   6          1HB       TYR   6  -6.418  -4.518  -0.867
   39    HD1  TYR   6           HD1      TYR   6  -4.325  -5.841   0.677
   40    HD2  TYR   6           HD2      TYR   6  -6.983  -2.671   1.902
   41    HE1  TYR   6           HE1      TYR   6  -4.050  -6.522   3.034
   42    HE2  TYR   6           HE2      TYR   6  -6.760  -3.411   4.260
   43    HH   TYR   6           HH       TYR   6  -5.040  -6.406   5.137
   44    H    HIS   7           H        HIS   7  -3.369  -1.599  -2.242
   45    HA   HIS   7           HA       HIS   7  -4.554  -2.078  -4.936
   46   1HB   HIS   7          2HB       HIS   7  -4.238   0.603  -3.565
   47   2HB   HIS   7          1HB       HIS   7  -4.862   0.298  -5.181
   48    HD1  HIS   7           HD1      HIS   7  -6.669  -2.273  -4.034
   49    HD2  HIS   7           HD2      HIS   7  -6.559   1.641  -2.488
   50    HE1  HIS   7           HE1      HIS   7  -8.892  -1.871  -2.848
   51    HE2  HIS   7           HE2      HIS   7  -8.836   0.512  -1.891
   52    HA   PRO   8           HA       PRO   8  -0.160  -2.860  -4.127
   53   1HB   PRO   8          2HB       PRO   8  -0.242  -3.163  -7.126
   54   2HB   PRO   8          1HB       PRO   8   0.727  -4.088  -5.933
   55   1HG   PRO   8          2HG       PRO   8  -1.650  -5.102  -6.764
   56   2HG   PRO   8          1HG       PRO   8  -1.197  -5.151  -5.037
   57   1HD   PRO   8          2HD       PRO   8  -3.146  -3.334  -6.396
   58   2HD   PRO   8          1HD       PRO   8  -3.162  -4.006  -4.741
   59    H    THR   9           H        THR   9  -0.766  -0.864  -7.020
   60    HA   THR   9           HA       THR   9   1.322   0.653  -7.453
   61    HB   THR   9           HB       THR   9  -1.465   1.802  -6.986
   62    HG1  THR   9           HG1      THR   9  -1.816   0.922  -9.125
   63   1HG2  THR   9          1HG2      THR   9   0.664   2.341  -9.104
   64   2HG2  THR   9          2HG2      THR   9   0.270   3.409  -7.740
   65   3HG2  THR   9          3HG2      THR   9  -0.936   3.115  -9.003
   66    H    CYS  10           H        CYS  10  -0.916   1.288  -4.687
   67    HA   CYS  10           HA       CYS  10   0.018   3.689  -3.596
   68   1HB   CYS  10          1HB       CYS  10  -1.746   2.442  -2.855
   69   2HB   CYS  10          2HB       CYS  10  -0.720   1.341  -1.956
   70    H    ASN  11           H        ASN  11   1.035   0.362  -3.078
   71    HA   ASN  11           HA       ASN  11   2.857   1.088  -1.053
   72   1HB   ASN  11          1HB       ASN  11   2.115  -0.717   0.000
   73   2HB   ASN  11          2HB       ASN  11   0.788  -0.437  -1.067
   74   1HD2  ASN  11          1HD2      ASN  11  -0.057  -2.452  -1.201
   75   2HD2  ASN  11          2HD2      ASN  11   0.869  -3.850  -1.405
   76    H    MET  12           H        MET  12   2.880  -0.379  -4.108
   77    HA   MET  12           HA       MET  12   5.720  -0.891  -4.317
   78   1HB   MET  12          1HB       MET  12   3.762   0.283  -6.363
   79   2HB   MET  12          2HB       MET  12   5.411  -0.277  -6.713
   80   1HG   MET  12          2HG       MET  12   4.816  -2.502  -5.800
   81   2HG   MET  12          1HG       MET  12   3.149  -1.976  -5.584
   82   1HE   MET  12          1HE       MET  12   2.829  -4.382  -6.917
   83   2HE   MET  12          2HE       MET  12   3.261  -4.593  -8.629
   84   3HE   MET  12          3HE       MET  12   4.536  -4.515  -7.393
   85    H    SER  13           H        SER  13   3.711   1.997  -4.616
   86    HA   SER  13           HA       SER  13   5.935   3.853  -4.670
   87   1HB   SER  13          1HB       SER  13   2.931   4.289  -4.256
   88   2HB   SER  13          2HB       SER  13   4.122   5.539  -4.537
   89    HG   SER  13           HG       SER  13   3.239   3.421  -6.187
   90    H    ASN  14           H        ASN  14   5.052   1.993  -2.022
   91    HA   ASN  14           HA       ASN  14   6.039   3.637  -0.119
   92   1HB   ASN  14          2HB       ASN  14   2.993   3.208   0.117
   93   2HB   ASN  14          1HB       ASN  14   4.024   3.717   1.449
   94   1HD2  ASN  14          2HD2      ASN  14   2.605   4.746  -1.600
   95   2HD2  ASN  14          1HD2      ASN  14   2.877   6.474  -1.339
   96    HA   PRO  15           HA       PRO  15   6.152  -0.920   0.425
   97   1HB   PRO  15          2HB       PRO  15   8.848   0.090   1.402
   98   2HB   PRO  15          1HB       PRO  15   8.498  -1.430   0.533
   99   1HG   PRO  15          1HG       PRO  15   9.516   0.688  -0.839
  100   2HG   PRO  15          2HG       PRO  15   8.174  -0.266  -1.537
  101   1HD   PRO  15          2HD       PRO  15   7.958   2.430  -0.193
  102   2HD   PRO  15          1HD       PRO  15   7.132   1.857  -1.582
  103    H    GLN  16           H        GLN  16   7.241   1.692   2.488
  104    HA   GLN  16           HA       GLN  16   7.372   0.819   4.963
  105   1HB   GLN  16          2HB       GLN  16   6.588   3.050   5.697
  106   2HB   GLN  16          1HB       GLN  16   7.789   3.093   4.399
  107   1HG   GLN  16          2HG       GLN  16   6.075   3.560   2.731
  108   2HG   GLN  16          1HG       GLN  16   4.788   3.409   3.946
  109   1HE2  GLN  16          1HE2      GLN  16   5.067   5.834   2.357
  110   2HE2  GLN  16          2HE2      GLN  16   5.613   7.057   3.472
  111    H    ILE  17           H        ILE  17   4.262   1.029   3.356
  112    HA   ILE  17           HA       ILE  17   2.863   0.660   5.925
  113    HB   ILE  17           HB       ILE  17   0.840   0.393   4.279
  114   1HG1  ILE  17          2HG1      ILE  17   2.686   2.003   2.543
  115   2HG1  ILE  17          1HG1      ILE  17   2.391   0.275   2.276
  116   1HG2  ILE  17          1HG2      ILE  17   0.406   2.761   4.371
  117   2HG2  ILE  17          2HG2      ILE  17   1.206   2.270   5.865
  118   3HG2  ILE  17          3HG2      ILE  17   2.133   3.120   4.605
  119   1HD1  ILE  17          1HD1      ILE  17  -0.060   0.812   2.110
  120   2HD1  ILE  17          2HD1      ILE  17   0.964   1.509   0.828
  121   3HD1  ILE  17          3HD1      ILE  17   0.408   2.535   2.168
  122    H    CYS  18           H        CYS  18   3.758  -1.126   3.293
  123    HA   CYS  18           HA       CYS  18   1.718  -3.237   3.898
  124   1HB   CYS  18          2HB       CYS  18   1.712  -1.788   1.813
  125   2HB   CYS  18          1HB       CYS  18   2.930  -2.802   1.211
  126   1HN   NH2  19          1HN       NH2  19   5.160  -2.857   2.881
  127   2HN   NH2  19          2HN       NH2  19   5.615  -4.499   3.300
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1  -6.610  -3.059   8.123
    2   2H    ARG   1          2H        ARG   1  -6.645  -1.448   8.527
    3   3H    ARG   1          3H        ARG   1  -7.190  -1.897   7.060
    4    HA   ARG   1           HA       ARG   1  -4.458  -1.738   7.947
    5   1HB   ARG   1          2HB       ARG   1  -5.017  -3.998   6.764
    6   2HB   ARG   1          1HB       ARG   1  -5.372  -3.002   5.347
    7   1HG   ARG   1          2HG       ARG   1  -3.189  -3.925   5.146
    8   2HG   ARG   1          1HG       ARG   1  -3.023  -2.193   5.321
    9   1HD   ARG   1          2HD       ARG   1  -2.249  -2.320   7.596
   10   2HD   ARG   1          1HD       ARG   1  -2.886  -3.952   7.791
   11    HE   ARG   1           HE       ARG   1  -1.117  -4.897   6.666
   12   1HH1  ARG   1          1HH1      ARG   1  -0.582  -1.313   6.730
   13   2HH1  ARG   1          2HH1      ARG   1   1.139  -1.548   6.543
   14   1HH2  ARG   1          2HH2      ARG   1   1.188  -5.021   6.516
   15   2HH2  ARG   1          1HH2      ARG   1   2.075  -3.526   6.319
   16    H    ASP   2           H        ASP   2  -3.293  -0.393   6.337
   17    HA   ASP   2           HA       ASP   2  -4.533   1.991   5.586
   18   1HB   ASP   2          1HB       ASP   2  -2.006   1.028   4.260
   19   2HB   ASP   2          2HB       ASP   2  -2.429   2.599   4.906
   20    HA   HYP   3           HA       HYP   3  -6.949  -0.181   2.467
   21   1HB   HYP   3          1HB       HYP   3  -7.266   2.636   1.393
   22   2HB   HYP   3          2HB       HYP   3  -8.502   1.347   1.528
   23   1HD   HYP   3          1HD       HYP   3  -6.031   3.260   3.889
   24   2HD   HYP   3          2HD       HYP   3  -6.632   2.101   5.102
   25    HOD  HYP   3           HOD      HYP   3  -8.840   1.532   4.993
   26    HG   HYP   3           HG       HYP   3  -8.399   3.240   3.434
   27    H    CYS   4           H        CYS   4  -4.721   2.329   1.359
   28    HA   CYS   4           HA       CYS   4  -4.437   1.644  -1.401
   29   1HB   CYS   4          1HB       CYS   4  -2.813   3.315  -1.397
   30   2HB   CYS   4          2HB       CYS   4  -3.777   3.727   0.021
   31    H    CYS   5           H        CYS   5  -3.035   0.046   1.495
   32    HA   CYS   5           HA       CYS   5  -0.978  -1.458   0.318
   33   1HB   CYS   5          2HB       CYS   5  -3.035  -2.553   2.273
   34   2HB   CYS   5          1HB       CYS   5  -1.535  -3.307   1.671
   35    H    TYR   6           H        TYR   6  -4.511  -1.844   0.080
   36    HA   TYR   6           HA       TYR   6  -4.331  -4.435  -1.342
   37   1HB   TYR   6          2HB       TYR   6  -6.688  -2.667  -0.630
   38   2HB   TYR   6          1HB       TYR   6  -6.776  -4.354  -1.104
   39    HD1  TYR   6           HD1      TYR   6  -7.931  -2.998   1.419
   40    HD2  TYR   6           HD2      TYR   6  -4.242  -5.147   0.755
   41    HE1  TYR   6           HE1      TYR   6  -7.952  -3.792   3.767
   42    HE2  TYR   6           HE2      TYR   6  -4.240  -5.866   3.112
   43    HH   TYR   6           HH       TYR   6  -7.102  -5.497   5.164
   44    H    HIS   7           H        HIS   7  -3.620  -1.537  -2.418
   45    HA   HIS   7           HA       HIS   7  -4.684  -2.006  -5.161
   46   1HB   HIS   7          1HB       HIS   7  -4.335   0.666  -3.767
   47   2HB   HIS   7          2HB       HIS   7  -4.886   0.390  -5.421
   48    HD1  HIS   7           HD1      HIS   7  -6.854  -2.102  -4.380
   49    HD2  HIS   7           HD2      HIS   7  -6.631   1.781  -2.774
   50    HE1  HIS   7           HE1      HIS   7  -9.114  -1.604  -3.305
   51    HE2  HIS   7           HE2      HIS   7  -8.991   0.761  -2.309
   52    HA   PRO   8           HA       PRO   8  -0.371  -2.963  -4.119
   53   1HB   PRO   8          2HB       PRO   8  -0.317  -3.288  -7.118
   54   2HB   PRO   8          1HB       PRO   8   0.570  -4.239  -5.886
   55   1HG   PRO   8          2HG       PRO   8  -1.798  -5.190  -6.796
   56   2HG   PRO   8          1HG       PRO   8  -1.461  -5.193  -5.042
   57   1HD   PRO   8          1HD       PRO   8  -3.195  -3.312  -6.603
   58   2HD   PRO   8          2HD       PRO   8  -3.426  -3.964  -4.956
   59    H    THR   9           H        THR   9  -0.810  -0.927  -7.010
   60    HA   THR   9           HA       THR   9   1.349   0.522  -7.372
   61    HB   THR   9           HB       THR   9  -1.410   1.755  -6.950
   62    HG1  THR   9           HG1      THR   9  -1.742   0.922  -9.114
   63   1HG2  THR   9          1HG2      THR   9   0.778   2.250  -9.016
   64   2HG2  THR   9          2HG2      THR   9  -0.795   3.080  -8.932
   65   3HG2  THR   9          3HG2      THR   9   0.397   3.308  -7.640
   66    H    CYS  10           H        CYS  10  -0.946   1.166  -4.655
   67    HA   CYS  10           HA       CYS  10   0.039   3.485  -3.470
   68   1HB   CYS  10          1HB       CYS  10  -1.781   2.326  -2.739
   69   2HB   CYS  10          2HB       CYS  10  -0.819   1.120  -1.909
   70    H    ASN  11           H        ASN  11   0.917   0.099  -2.993
   71    HA   ASN  11           HA       ASN  11   2.589   0.755  -0.834
   72   1HB   ASN  11          1HB       ASN  11   1.813  -1.091   0.056
   73   2HB   ASN  11          2HB       ASN  11   0.539  -0.820  -1.086
   74   1HD2  ASN  11          1HD2      ASN  11  -0.230  -2.911  -1.167
   75   2HD2  ASN  11          2HD2      ASN  11   0.741  -4.275  -1.531
   76    H    MET  12           H        MET  12   2.831  -0.717  -3.872
   77    HA   MET  12           HA       MET  12   5.652  -1.259  -3.968
   78   1HB   MET  12          1HB       MET  12   3.778  -0.109  -6.097
   79   2HB   MET  12          2HB       MET  12   5.415  -0.737  -6.387
   80   1HG   MET  12          1HG       MET  12   4.729  -2.939  -5.514
   81   2HG   MET  12          2HG       MET  12   3.119  -2.343  -5.173
   82   1HE   MET  12          1HE       MET  12   5.284  -1.687  -8.512
   83   2HE   MET  12          2HE       MET  12   5.657  -3.335  -7.946
   84   3HE   MET  12          3HE       MET  12   4.725  -3.091  -9.440
   85    H    SER  13           H        SER  13   3.732   1.687  -4.415
   86    HA   SER  13           HA       SER  13   6.060   3.427  -4.511
   87   1HB   SER  13          1HB       SER  13   3.803   3.861  -5.620
   88   2HB   SER  13          2HB       SER  13   3.162   4.236  -4.026
   89    HG   SER  13           HG       SER  13   5.000   5.726  -3.843
   90    H    ASN  14           H        ASN  14   5.146   1.745  -1.797
   91    HA   ASN  14           HA       ASN  14   5.983   3.627   0.003
   92   1HB   ASN  14          1HB       ASN  14   2.997   2.977   0.165
   93   2HB   ASN  14          2HB       ASN  14   3.927   3.634   1.503
   94   1HD2  ASN  14          2HD2      ASN  14   2.507   4.411  -1.614
   95   2HD2  ASN  14          1HD2      ASN  14   2.756   6.152  -1.509
   96    HA   PRO  15           HA       PRO  15   6.793  -0.787   0.912
   97   1HB   PRO  15          2HB       PRO  15   9.172   0.846   1.829
   98   2HB   PRO  15          1HB       PRO  15   9.169  -0.813   1.167
   99   1HG   PRO  15          2HG       PRO  15   9.793   1.265  -0.471
  100   2HG   PRO  15          1HG       PRO  15   8.673  -0.007  -1.044
  101   1HD   PRO  15          2HD       PRO  15   7.945   2.731  -0.005
  102   2HD   PRO  15          1HD       PRO  15   7.285   1.888  -1.345
  103    H    GLN  16           H        GLN  16   7.082   2.184   2.835
  104    HA   GLN  16           HA       GLN  16   7.530   1.019   5.307
  105   1HB   GLN  16          1HB       GLN  16   7.067   3.086   6.292
  106   2HB   GLN  16          2HB       GLN  16   7.892   3.402   4.769
  107   1HG   GLN  16          1HG       GLN  16   4.848   3.590   5.076
  108   2HG   GLN  16          2HG       GLN  16   5.957   4.904   5.473
  109   1HE2  GLN  16          1HE2      GLN  16   4.527   6.003   3.834
  110   2HE2  GLN  16          2HE2      GLN  16   4.987   5.862   2.150
  111    H    ILE  17           H        ILE  17   4.471   1.251   3.657
  112    HA   ILE  17           HA       ILE  17   3.022   0.412   6.113
  113    HB   ILE  17           HB       ILE  17   1.100   0.160   4.366
  114   1HG1  ILE  17          2HG1      ILE  17   2.840   2.222   2.992
  115   2HG1  ILE  17          1HG1      ILE  17   2.429   0.619   2.362
  116   1HG2  ILE  17          1HG2      ILE  17   1.903   2.917   5.298
  117   2HG2  ILE  17          2HG2      ILE  17   0.278   2.335   4.879
  118   3HG2  ILE  17          3HG2      ILE  17   1.093   1.674   6.291
  119   1HD1  ILE  17          1HD1      ILE  17   0.567   2.935   2.756
  120   2HD1  ILE  17          2HD1      ILE  17   1.047   2.083   1.274
  121   3HD1  ILE  17          3HD1      ILE  17   0.023   1.253   2.471
  122    H    CYS  18           H        CYS  18   3.776  -0.576   3.072
  123    HA   CYS  18           HA       CYS  18   3.166  -3.464   3.375
  124   1HB   CYS  18          2HB       CYS  18   1.401  -1.391   2.059
  125   2HB   CYS  18          1HB       CYS  18   1.449  -3.055   1.395
  126   1HN   NH2  19          1HN       NH2  19   4.032  -0.738   1.120
  127   2HN   NH2  19          2HN       NH2  19   4.926  -1.763   0.041
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -6.174  -1.209   8.681
    2   2H    ARG   1          2H        ARG   1  -6.798  -1.759   7.282
    3   3H    ARG   1          3H        ARG   1  -6.058  -2.830   8.332
    4    HA   ARG   1           HA       ARG   1  -4.013  -1.353   7.897
    5   1HB   ARG   1          1HB       ARG   1  -4.763  -3.720   6.765
    6   2HB   ARG   1          2HB       ARG   1  -4.885  -2.688   5.352
    7   1HG   ARG   1          2HG       ARG   1  -2.804  -3.746   5.307
    8   2HG   ARG   1          1HG       ARG   1  -2.472  -2.055   5.671
    9   1HD   ARG   1          2HD       ARG   1  -2.076  -2.611   8.075
   10   2HD   ARG   1          1HD       ARG   1  -2.782  -4.203   7.826
   11    HE   ARG   1           HE       ARG   1  -0.848  -5.048   7.047
   12   1HH1  ARG   1          1HH1      ARG   1  -0.495  -1.504   7.056
   13   2HH1  ARG   1          2HH1      ARG   1   1.233  -1.599   6.763
   14   1HH2  ARG   1          1HH2      ARG   1   1.485  -5.068   6.775
   15   2HH2  ARG   1          2HH2      ARG   1   2.287  -3.527   6.557
   16    H    ASP   2           H        ASP   2  -3.142   0.078   6.147
   17    HA   ASP   2           HA       ASP   2  -4.882   2.141   5.266
   18   1HB   ASP   2          2HB       ASP   2  -2.486   2.423   5.508
   19   2HB   ASP   2          1HB       ASP   2  -2.188   1.248   4.216
   20    HA   HYP   3           HA       HYP   3  -7.025  -0.336   2.062
   21   1HB   HYP   3          1HB       HYP   3  -7.288   2.505   1.059
   22   2HB   HYP   3          2HB       HYP   3  -8.496   1.188   0.959
   23   1HD   HYP   3          1HD       HYP   3  -6.981   2.045   4.755
   24   2HD   HYP   3          2HD       HYP   3  -6.398   3.126   3.453
   25    HOD  HYP   3           HOD      HYP   3  -9.189   1.213   4.432
   26    HG   HYP   3           HG       HYP   3  -8.732   2.972   2.942
   27    H    CYS   4           H        CYS   4  -4.546   2.173   1.384
   28    HA   CYS   4           HA       CYS   4  -4.234   1.583  -1.407
   29   1HB   CYS   4          1HB       CYS   4  -2.724   3.347  -1.362
   30   2HB   CYS   4          2HB       CYS   4  -3.583   3.639   0.148
   31    H    CYS   5           H        CYS   5  -2.907   0.084   1.526
   32    HA   CYS   5           HA       CYS   5  -0.781  -1.591   0.462
   33   1HB   CYS   5          1HB       CYS   5  -1.282  -1.489   2.821
   34   2HB   CYS   5          2HB       CYS   5  -2.908  -2.159   2.590
   35    H    TYR   6           H        TYR   6  -4.325  -1.884   0.297
   36    HA   TYR   6           HA       TYR   6  -4.135  -4.520  -1.046
   37   1HB   TYR   6          2HB       TYR   6  -6.517  -2.785  -0.333
   38   2HB   TYR   6          1HB       TYR   6  -6.578  -4.477  -0.794
   39    HD1  TYR   6           HD1      TYR   6  -7.280  -2.661   1.892
   40    HD2  TYR   6           HD2      TYR   6  -4.417  -5.714   0.842
   41    HE1  TYR   6           HE1      TYR   6  -7.136  -3.360   4.271
   42    HE2  TYR   6           HE2      TYR   6  -4.256  -6.378   3.213
   43    HH   TYR   6           HH       TYR   6  -5.301  -6.248   5.270
   44    H    HIS   7           H        HIS   7  -3.468  -1.624  -2.188
   45    HA   HIS   7           HA       HIS   7  -4.642  -2.119  -4.885
   46   1HB   HIS   7          2HB       HIS   7  -4.317   0.576  -3.540
   47   2HB   HIS   7          1HB       HIS   7  -4.960   0.252  -5.149
   48    HD1  HIS   7           HD1      HIS   7  -6.793  -2.266  -3.956
   49    HD2  HIS   7           HD2      HIS   7  -6.574   1.654  -2.441
   50    HE1  HIS   7           HE1      HIS   7  -8.986  -1.811  -2.729
   51    HE2  HIS   7           HE2      HIS   7  -8.864   0.579  -1.794
   52    HA   PRO   8           HA       PRO   8  -0.206  -2.803  -4.129
   53   1HB   PRO   8          2HB       PRO   8  -0.371  -3.258  -7.106
   54   2HB   PRO   8          1HB       PRO   8   0.657  -4.112  -5.913
   55   1HG   PRO   8          2HG       PRO   8  -1.712  -5.224  -6.607
   56   2HG   PRO   8          1HG       PRO   8  -1.252  -5.136  -4.883
   57   1HD   PRO   8          1HD       PRO   8  -3.183  -3.401  -6.388
   58   2HD   PRO   8          2HD       PRO   8  -3.279  -4.016  -4.714
   59    H    THR   9           H        THR   9  -1.102  -0.804  -6.942
   60    HA   THR   9           HA       THR   9   1.225   0.510  -7.405
   61    HB   THR   9           HB       THR   9  -1.576   1.751  -7.427
   62    HG1  THR   9           HG1      THR   9  -0.411  -0.004  -9.324
   63   1HG2  THR   9          1HG2      THR   9   0.829   2.106  -9.268
   64   2HG2  THR   9          2HG2      THR   9  -0.786   2.817  -9.520
   65   3HG2  THR   9          3HG2      THR   9   0.190   3.304  -8.123
   66    H    CYS  10           H        CYS  10  -1.021   1.159  -4.695
   67    HA   CYS  10           HA       CYS  10   0.001   3.629  -3.674
   68   1HB   CYS  10          1HB       CYS  10  -1.771   2.469  -2.811
   69   2HB   CYS  10          2HB       CYS  10  -0.727   1.301  -2.018
   70    H    ASN  11           H        ASN  11   0.811   0.223  -3.140
   71    HA   ASN  11           HA       ASN  11   2.552   1.102  -1.125
   72   1HB   ASN  11          2HB       ASN  11   0.458  -0.576  -1.184
   73   2HB   ASN  11          1HB       ASN  11   1.701  -1.779  -1.137
   74   1HD2  ASN  11          1HD2      ASN  11  -0.124   0.461   0.624
   75   2HD2  ASN  11          2HD2      ASN  11   0.853   0.567   2.058
   76    H    MET  12           H        MET  12   2.834  -0.616  -4.021
   77    HA   MET  12           HA       MET  12   5.625  -1.231  -3.984
   78   1HB   MET  12          2HB       MET  12   5.567  -0.965  -6.338
   79   2HB   MET  12          1HB       MET  12   3.955  -1.571  -5.917
   80   1HG   MET  12          2HG       MET  12   3.057   0.642  -6.066
   81   2HG   MET  12          1HG       MET  12   4.620   1.344  -6.483
   82   1HE   MET  12          1HE       MET  12   5.907   1.136  -8.663
   83   2HE   MET  12          2HE       MET  12   5.407   0.141 -10.047
   84   3HE   MET  12          3HE       MET  12   5.994  -0.640  -8.568
   85    H    SER  13           H        SER  13   3.826   1.799  -4.071
   86    HA   SER  13           HA       SER  13   6.237   3.456  -4.293
   87   1HB   SER  13          1HB       SER  13   3.750   3.825  -5.338
   88   2HB   SER  13          2HB       SER  13   3.510   4.662  -3.811
   89    HG   SER  13           HG       SER  13   5.422   5.848  -4.227
   90    H    ASN  14           H        ASN  14   5.125   1.783  -1.695
   91    HA   ASN  14           HA       ASN  14   6.030   3.586   0.166
   92   1HB   ASN  14          1HB       ASN  14   3.016   2.911   0.292
   93   2HB   ASN  14          2HB       ASN  14   3.914   3.607   1.641
   94   1HD2  ASN  14          2HD2      ASN  14   2.611   4.295  -1.587
   95   2HD2  ASN  14          1HD2      ASN  14   2.698   6.045  -1.399
   96    HA   PRO  15           HA       PRO  15   6.494  -0.957   0.870
   97   1HB   PRO  15          2HB       PRO  15   9.147   0.306   1.607
   98   2HB   PRO  15          1HB       PRO  15   8.863  -1.281   0.840
   99   1HG   PRO  15          1HG       PRO  15   9.647   0.823  -0.691
  100   2HG   PRO  15          2HG       PRO  15   8.335  -0.251  -1.265
  101   1HD   PRO  15          2HD       PRO  15   8.015   2.453   0.055
  102   2HD   PRO  15          1HD       PRO  15   7.219   1.848  -1.335
  103    H    GLN  16           H        GLN  16   7.332   1.959   2.647
  104    HA   GLN  16           HA       GLN  16   7.615   1.180   5.210
  105   1HB   GLN  16          1HB       GLN  16   6.769   3.403   5.836
  106   2HB   GLN  16          2HB       GLN  16   7.896   3.446   4.472
  107   1HG   GLN  16          2HG       GLN  16   5.967   3.632   2.898
  108   2HG   GLN  16          1HG       GLN  16   4.869   3.662   4.293
  109   1HE2  GLN  16          1HE2      GLN  16   4.925   5.849   2.359
  110   2HE2  GLN  16          2HE2      GLN  16   5.605   7.199   3.226
  111    H    ILE  17           H        ILE  17   4.512   1.110   3.539
  112    HA   ILE  17           HA       ILE  17   3.203   0.508   6.133
  113    HB   ILE  17           HB       ILE  17   1.293   0.192   4.078
  114   1HG1  ILE  17          1HG1      ILE  17   2.833   2.776   3.857
  115   2HG1  ILE  17          2HG1      ILE  17   2.508   1.549   2.627
  116   1HG2  ILE  17          1HG2      ILE  17   1.500   2.366   6.159
  117   2HG2  ILE  17          2HG2      ILE  17   0.915   0.713   6.468
  118   3HG2  ILE  17          3HG2      ILE  17   0.033   1.756   5.361
  119   1HD1  ILE  17          1HD1      ILE  17   0.016   2.090   2.977
  120   2HD1  ILE  17          2HD1      ILE  17   1.017   3.340   2.194
  121   3HD1  ILE  17          3HD1      ILE  17   0.574   3.496   3.905
  122    H    CYS  18           H        CYS  18   3.526  -0.788   3.087
  123    HA   CYS  18           HA       CYS  18   2.967  -3.607   3.939
  124   1HB   CYS  18          2HB       CYS  18   1.113  -1.653   2.754
  125   2HB   CYS  18          1HB       CYS  18   1.300  -3.036   1.692
  126   1HN   NH2  19          1HN       NH2  19   5.441  -2.330   2.816
  127   2HN   NH2  19          2HN       NH2  19   5.723  -3.253   1.350
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1  -6.530  -1.364   7.749
    2   2H    ARG   1          2H        ARG   1  -5.667  -0.810   9.014
    3   3H    ARG   1          3H        ARG   1  -5.765  -2.452   8.766
    4    HA   ARG   1           HA       ARG   1  -3.659  -1.241   7.957
    5   1HB   ARG   1          2HB       ARG   1  -4.709  -3.581   7.140
    6   2HB   ARG   1          1HB       ARG   1  -5.110  -2.632   5.714
    7   1HG   ARG   1          2HG       ARG   1  -3.139  -3.690   5.170
    8   2HG   ARG   1          1HG       ARG   1  -2.615  -2.049   5.537
    9   1HD   ARG   1          1HD       ARG   1  -1.836  -2.802   7.793
   10   2HD   ARG   1          2HD       ARG   1  -2.573  -4.373   7.532
   11    HE   ARG   1           HE       ARG   1  -0.961  -5.052   6.048
   12   1HH1  ARG   1          2HH2      ARG   1  -0.172  -1.738   7.139
   13   2HH1  ARG   1          1HH2      ARG   1   1.520  -1.931   6.722
   14   1HH2  ARG   1          1HH1      ARG   1   1.318  -5.213   5.584
   15   2HH2  ARG   1          2HH1      ARG   1   2.310  -3.792   5.839
   16    H    ASP   2           H        ASP   2  -2.914   0.103   6.092
   17    HA   ASP   2           HA       ASP   2  -4.666   2.225   5.373
   18   1HB   ASP   2          2HB       ASP   2  -2.269   2.471   5.444
   19   2HB   ASP   2          1HB       ASP   2  -2.047   1.299   4.141
   20    HA   HYP   3           HA       HYP   3  -7.166  -0.055   2.304
   21   1HB   HYP   3          1HB       HYP   3  -7.199   2.764   1.216
   22   2HB   HYP   3          2HB       HYP   3  -8.536   1.577   1.261
   23   1HD   HYP   3          1HD       HYP   3  -6.106   3.326   3.767
   24   2HD   HYP   3          2HD       HYP   3  -6.859   2.218   4.956
   25    HOD  HYP   3           HOD      HYP   3  -9.797   1.635   3.324
   26    HG   HYP   3           HG       HYP   3  -8.404   3.502   3.157
   27    H    CYS   4           H        CYS   4  -4.553   2.254   1.417
   28    HA   CYS   4           HA       CYS   4  -4.430   1.524  -1.378
   29   1HB   CYS   4          1HB       CYS   4  -2.833   3.217  -1.508
   30   2HB   CYS   4          2HB       CYS   4  -3.710   3.668  -0.040
   31    H    CYS   5           H        CYS   5  -3.105   0.054   1.548
   32    HA   CYS   5           HA       CYS   5  -0.950  -1.414   0.357
   33   1HB   CYS   5          1HB       CYS   5  -0.766  -1.516   2.432
   34   2HB   CYS   5          2HB       CYS   5  -2.485  -1.676   2.850
   35    H    TYR   6           H        TYR   6  -4.455  -1.818   0.161
   36    HA   TYR   6           HA       TYR   6  -4.255  -4.530  -1.026
   37   1HB   TYR   6          2HB       TYR   6  -6.611  -2.669  -0.621
   38   2HB   TYR   6          1HB       TYR   6  -6.703  -4.370  -1.046
   39    HD1  TYR   6           HD1      TYR   6  -7.098  -2.187   1.624
   40    HD2  TYR   6           HD2      TYR   6  -5.179  -5.921   0.676
   41    HE1  TYR   6           HE1      TYR   6  -6.997  -2.746   4.039
   42    HE2  TYR   6           HE2      TYR   6  -5.099  -6.497   3.079
   43    HH   TYR   6           HH       TYR   6  -5.775  -5.898   5.197
   44    H    HIS   7           H        HIS   7  -3.353  -1.694  -2.243
   45    HA   HIS   7           HA       HIS   7  -4.464  -2.134  -4.978
   46   1HB   HIS   7          2HB       HIS   7  -4.154   0.524  -3.574
   47   2HB   HIS   7          1HB       HIS   7  -4.741   0.240  -5.212
   48    HD1  HIS   7           HD1      HIS   7  -6.618  -2.303  -4.126
   49    HD2  HIS   7           HD2      HIS   7  -6.491   1.633  -2.627
   50    HE1  HIS   7           HE1      HIS   7  -8.868  -1.848  -3.007
   51    HE2  HIS   7           HE2      HIS   7  -8.797   0.545  -2.074
   52    HA   PRO   8           HA       PRO   8  -0.002  -2.996  -4.458
   53   1HB   PRO   8          2HB       PRO   8  -0.410  -3.074  -7.440
   54   2HB   PRO   8          1HB       PRO   8   0.711  -4.056  -6.449
   55   1HG   PRO   8          2HG       PRO   8  -1.715  -5.090  -7.033
   56   2HG   PRO   8          1HG       PRO   8  -1.107  -5.178  -5.355
   57   1HD   PRO   8          1HD       PRO   8  -3.143  -3.312  -6.510
   58   2HD   PRO   8          2HD       PRO   8  -3.098  -4.066  -4.889
   59    H    THR   9           H        THR   9  -0.870  -0.762  -7.105
   60    HA   THR   9           HA       THR   9   1.391   0.630  -7.524
   61    HB   THR   9           HB       THR   9  -1.375   1.874  -7.119
   62    HG1  THR   9           HG1      THR   9  -0.379   0.437  -9.348
   63   1HG2  THR   9          1HG2      THR   9   0.881   2.505  -9.074
   64   2HG2  THR   9          2HG2      THR   9   0.388   3.499  -7.686
   65   3HG2  THR   9          3HG2      THR   9  -0.726   3.272  -9.047
   66    H    CYS  10           H        CYS  10  -0.871   1.221  -4.781
   67    HA   CYS  10           HA       CYS  10   0.089   3.618  -3.656
   68   1HB   CYS  10          1HB       CYS  10  -1.770   2.592  -3.023
   69   2HB   CYS  10          2HB       CYS  10  -0.913   1.341  -2.115
   70    H    ASN  11           H        ASN  11   0.767   0.265  -2.802
   71    HA   ASN  11           HA       ASN  11   2.590   1.085  -0.816
   72   1HB   ASN  11          1HB       ASN  11   1.985  -1.096   0.167
   73   2HB   ASN  11          2HB       ASN  11   0.673  -0.036  -0.229
   74   1HD2  ASN  11          1HD2      ASN  11   1.109  -2.966   0.100
   75   2HD2  ASN  11          2HD2      ASN  11  -0.177  -3.467  -0.994
   76    H    MET  12           H        MET  12   2.729  -0.610  -3.742
   77    HA   MET  12           HA       MET  12   5.566  -1.244  -3.658
   78   1HB   MET  12          1HB       MET  12   3.757  -0.301  -5.938
   79   2HB   MET  12          2HB       MET  12   5.442  -0.831  -6.129
   80   1HG   MET  12          2HG       MET  12   4.898  -2.978  -5.086
   81   2HG   MET  12          1HG       MET  12   3.211  -2.515  -4.917
   82   1HE   MET  12          1HE       MET  12   2.876  -4.970  -5.984
   83   2HE   MET  12          2HE       MET  12   3.315  -5.382  -7.659
   84   3HE   MET  12          3HE       MET  12   4.583  -5.183  -6.430
   85    H    SER  13           H        SER  13   3.691   1.666  -4.420
   86    HA   SER  13           HA       SER  13   6.018   3.406  -4.463
   87   1HB   SER  13          1HB       SER  13   3.023   4.035  -4.365
   88   2HB   SER  13          2HB       SER  13   4.302   5.202  -4.596
   89    HG   SER  13           HG       SER  13   3.474   3.054  -6.217
   90    H    ASN  14           H        ASN  14   5.075   1.825  -1.759
   91    HA   ASN  14           HA       ASN  14   5.942   3.725  -0.014
   92   1HB   ASN  14          2HB       ASN  14   2.952   3.067   0.243
   93   2HB   ASN  14          1HB       ASN  14   3.913   3.718   1.556
   94   1HD2  ASN  14          2HD2      ASN  14   2.445   4.495  -1.552
   95   2HD2  ASN  14          1HD2      ASN  14   2.645   6.241  -1.406
   96    HA   PRO  15           HA       PRO  15   6.552  -0.765   0.705
   97   1HB   PRO  15          2HB       PRO  15   9.129   0.583   1.568
   98   2HB   PRO  15          1HB       PRO  15   8.940  -1.010   0.782
   99   1HG   PRO  15          2HG       PRO  15   9.662   1.144  -0.718
  100   2HG   PRO  15          1HG       PRO  15   8.417   0.012  -1.327
  101   1HD   PRO  15          2HD       PRO  15   7.950   2.704  -0.037
  102   2HD   PRO  15          1HD       PRO  15   7.194   2.029  -1.418
  103    H    GLN  16           H        GLN  16   7.132   2.089   2.707
  104    HA   GLN  16           HA       GLN  16   7.604   0.871   5.144
  105   1HB   GLN  16          1HB       GLN  16   7.213   2.942   6.167
  106   2HB   GLN  16          2HB       GLN  16   8.027   3.254   4.638
  107   1HG   GLN  16          1HG       GLN  16   4.988   3.501   4.958
  108   2HG   GLN  16          2HG       GLN  16   6.117   4.786   5.400
  109   1HE2  GLN  16          1HE2      GLN  16   4.698   5.938   3.781
  110   2HE2  GLN  16          2HE2      GLN  16   5.146   5.835   2.095
  111    H    ILE  17           H        ILE  17   4.507   1.095   3.541
  112    HA   ILE  17           HA       ILE  17   3.160   0.310   6.083
  113    HB   ILE  17           HB       ILE  17   1.196  -0.085   4.394
  114   1HG1  ILE  17          1HG1      ILE  17   2.760   2.088   2.970
  115   2HG1  ILE  17          2HG1      ILE  17   2.439   0.454   2.362
  116   1HG2  ILE  17          1HG2      ILE  17   1.888   2.706   5.308
  117   2HG2  ILE  17          2HG2      ILE  17   1.184   1.427   6.336
  118   3HG2  ILE  17          3HG2      ILE  17   0.276   2.037   4.963
  119   1HD1  ILE  17          1HD1      ILE  17   0.950   1.888   1.316
  120   2HD1  ILE  17          2HD1      ILE  17   0.420   2.630   2.835
  121   3HD1  ILE  17          3HD1      ILE  17   0.007   0.926   2.483
  122    H    CYS  18           H        CYS  18   3.631  -0.811   3.009
  123    HA   CYS  18           HA       CYS  18   3.189  -3.690   3.630
  124   1HB   CYS  18          1HB       CYS  18   1.021  -2.536   3.783
  125   2HB   CYS  18          2HB       CYS  18   1.267  -1.855   2.187
  126   1HN   NH2  19          1HN       NH2  19   5.486  -2.397   2.479
  127   2HN   NH2  19          2HN       NH2  19   5.555  -2.938   0.810
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1  -6.988  -1.534   8.388
    2   2H    ARG   1          2H        ARG   1  -7.325  -0.299   7.311
    3   3H    ARG   1          3H        ARG   1  -6.570   0.042   8.715
    4    HA   ARG   1           HA       ARG   1  -4.571  -0.836   7.968
    5   1HB   ARG   1          1HB       ARG   1  -5.728  -2.942   7.005
    6   2HB   ARG   1          2HB       ARG   1  -6.135  -1.925   5.634
    7   1HG   ARG   1          1HG       ARG   1  -4.204  -3.414   5.249
    8   2HG   ARG   1          2HG       ARG   1  -3.843  -1.744   4.961
    9   1HD   ARG   1          2HD       ARG   1  -2.606  -1.602   7.076
   10   2HD   ARG   1          1HD       ARG   1  -3.317  -3.119   7.647
   11    HE   ARG   1           HE       ARG   1  -2.083  -4.235   5.749
   12   1HH1  ARG   1          2HH2      ARG   1  -0.670  -1.374   7.420
   13   2HH1  ARG   1          1HH2      ARG   1   0.946  -1.855   6.966
   14   1HH2  ARG   1          1HH1      ARG   1   0.132  -4.856   5.419
   15   2HH2  ARG   1          2HH1      ARG   1   1.377  -3.730   5.916
   16    H    ASP   2           H        ASP   2  -3.239   0.255   6.272
   17    HA   ASP   2           HA       ASP   2  -4.308   2.696   5.257
   18   1HB   ASP   2          2HB       ASP   2  -1.939   2.359   5.746
   19   2HB   ASP   2          1HB       ASP   2  -1.836   1.173   4.427
   20    HA   HYP   3           HA       HYP   3  -6.674   0.788   1.878
   21   1HB   HYP   3          1HB       HYP   3  -7.504   2.589   0.558
   22   2HB   HYP   3          2HB       HYP   3  -5.966   3.494   0.690
   23   1HD   HYP   3          1HD       HYP   3  -6.242   3.188   4.451
   24   2HD   HYP   3          2HD       HYP   3  -5.165   3.998   3.271
   25    HOD  HYP   3           HOD      HYP   3  -8.515   3.168   3.865
   26    HG   HYP   3           HG       HYP   3  -7.321   4.543   2.386
   27    H    CYS   4           H        CYS   4  -3.498   2.454   1.317
   28    HA   CYS   4           HA       CYS   4  -3.318   1.549  -1.374
   29   1HB   CYS   4          2HB       CYS   4  -1.106   2.479   0.529
   30   2HB   CYS   4          1HB       CYS   4  -0.940   2.222  -1.240
   31    H    CYS   5           H        CYS   5  -2.601  -0.059   1.689
   32    HA   CYS   5           HA       CYS   5  -0.638  -1.842   0.703
   33   1HB   CYS   5          1HB       CYS   5  -0.673  -1.735   2.712
   34   2HB   CYS   5          2HB       CYS   5  -2.427  -2.000   3.058
   35    H    TYR   6           H        TYR   6  -4.120  -1.736   0.276
   36    HA   TYR   6           HA       TYR   6  -4.333  -4.491  -0.778
   37   1HB   TYR   6          2HB       TYR   6  -6.347  -2.240  -0.599
   38   2HB   TYR   6          1HB       TYR   6  -6.713  -3.943  -0.841
   39    HD1  TYR   6           HD1      TYR   6  -4.984  -5.242   1.261
   40    HD2  TYR   6           HD2      TYR   6  -7.297  -1.603   1.447
   41    HE1  TYR   6           HE1      TYR   6  -5.300  -5.548   3.703
   42    HE2  TYR   6           HE2      TYR   6  -7.678  -1.986   3.874
   43    HH   TYR   6           HH       TYR   6  -6.878  -5.135   5.377
   44    H    HIS   7           H        HIS   7  -3.042  -1.781  -2.156
   45    HA   HIS   7           HA       HIS   7  -4.324  -2.218  -4.831
   46   1HB   HIS   7          2HB       HIS   7  -3.864   0.431  -3.463
   47   2HB   HIS   7          1HB       HIS   7  -4.504   0.178  -5.090
   48    HD1  HIS   7           HD1      HIS   7  -6.468  -2.274  -3.908
   49    HD2  HIS   7           HD2      HIS   7  -6.100   1.695  -2.533
   50    HE1  HIS   7           HE1      HIS   7  -8.675  -1.661  -2.769
   51    HE2  HIS   7           HE2      HIS   7  -8.455   0.750  -1.905
   52    HA   PRO   8           HA       PRO   8   0.135  -3.096  -5.076
   53   1HB   PRO   8          2HB       PRO   8  -0.659  -2.813  -7.967
   54   2HB   PRO   8          1HB       PRO   8   0.560  -3.907  -7.241
   55   1HG   PRO   8          2HG       PRO   8  -1.950  -4.840  -7.650
   56   2HG   PRO   8          1HG       PRO   8  -1.118  -5.168  -6.105
   57   1HD   PRO   8          2HD       PRO   8  -3.283  -3.179  -6.671
   58   2HD   PRO   8          1HD       PRO   8  -2.983  -4.147  -5.196
   59    H    THR   9           H        THR   9  -0.647  -0.711  -7.653
   60    HA   THR   9           HA       THR   9   1.670   0.642  -7.719
   61    HB   THR   9           HB       THR   9  -1.053   2.014  -7.762
   62    HG1  THR   9           HG1      THR   9  -1.086   1.183  -9.939
   63   1HG2  THR   9          1HG2      THR   9  -0.045   3.293  -9.612
   64   2HG2  THR   9          2HG2      THR   9   0.919   3.472  -8.135
   65   3HG2  THR   9          3HG2      THR   9   1.475   2.385  -9.428
   66    H    CYS  10           H        CYS  10  -0.858   1.071  -5.312
   67    HA   CYS  10           HA       CYS  10  -0.101   3.605  -4.119
   68   1HB   CYS  10          1HB       CYS  10  -2.269   2.119  -4.237
   69   2HB   CYS  10          2HB       CYS  10  -1.719   1.447  -2.853
   70    H    ASN  11           H        ASN  11   0.392   0.155  -3.094
   71    HA   ASN  11           HA       ASN  11   2.123   1.145  -1.064
   72   1HB   ASN  11          1HB       ASN  11   1.987  -1.064  -0.127
   73   2HB   ASN  11          2HB       ASN  11   0.458  -0.261  -0.391
   74   1HD2  ASN  11          1HD2      ASN  11   0.930  -2.888   0.103
   75   2HD2  ASN  11          2HD2      ASN  11  -0.238  -3.558  -0.960
   76    H    MET  12           H        MET  12   2.534  -0.351  -4.075
   77    HA   MET  12           HA       MET  12   5.392  -0.854  -3.736
   78   1HB   MET  12          2HB       MET  12   3.804  -0.021  -6.203
   79   2HB   MET  12          1HB       MET  12   5.533  -0.446  -6.190
   80   1HG   MET  12          1HG       MET  12   4.892  -2.609  -5.043
   81   2HG   MET  12          2HG       MET  12   3.217  -2.246  -5.391
   82   1HE   MET  12          1HE       MET  12   3.268  -2.332  -9.384
   83   2HE   MET  12          2HE       MET  12   2.295  -1.956  -7.947
   84   3HE   MET  12          3HE       MET  12   3.639  -0.887  -8.424
   85    H    SER  13           H        SER  13   3.435   1.999  -4.456
   86    HA   SER  13           HA       SER  13   5.699   3.830  -4.218
   87   1HB   SER  13          2HB       SER  13   2.699   4.333  -4.172
   88   2HB   SER  13          1HB       SER  13   3.967   5.556  -4.329
   89    HG   SER  13           HG       SER  13   3.291   3.460  -6.108
   90    H    ASN  14           H        ASN  14   4.672   1.945  -1.773
   91    HA   ASN  14           HA       ASN  14   5.440   3.685   0.175
   92   1HB   ASN  14          2HB       ASN  14   2.490   2.822   0.380
   93   2HB   ASN  14          1HB       ASN  14   3.444   3.431   1.728
   94   1HD2  ASN  14          2HD2      ASN  14   1.892   4.372  -1.321
   95   2HD2  ASN  14          1HD2      ASN  14   1.952   6.099  -0.983
   96    HA   PRO  15           HA       PRO  15   6.370  -0.806   0.603
   97   1HB   PRO  15          1HB       PRO  15   8.785   0.785   1.550
   98   2HB   PRO  15          2HB       PRO  15   8.778  -0.807   0.766
   99   1HG   PRO  15          1HG       PRO  15   9.324   1.434  -0.702
  100   2HG   PRO  15          2HG       PRO  15   8.175   0.234  -1.368
  101   1HD   PRO  15          2HD       PRO  15   7.472   2.834   0.028
  102   2HD   PRO  15          1HD       PRO  15   6.784   2.172  -1.391
  103    H    GLN  16           H        GLN  16   7.025   1.998   2.616
  104    HA   GLN  16           HA       GLN  16   7.425   1.114   5.049
  105   1HB   GLN  16          2HB       GLN  16   6.305   3.176   5.905
  106   2HB   GLN  16          1HB       GLN  16   7.426   3.446   4.563
  107   1HG   GLN  16          2HG       GLN  16   5.582   3.652   2.975
  108   2HG   GLN  16          1HG       GLN  16   4.398   3.277   4.242
  109   1HE2  GLN  16          1HE2      GLN  16   4.223   5.733   2.687
  110   2HE2  GLN  16          2HE2      GLN  16   4.600   7.015   3.807
  111    H    ILE  17           H        ILE  17   4.233   0.885   3.614
  112    HA   ILE  17           HA       ILE  17   3.094   0.140   6.224
  113    HB   ILE  17           HB       ILE  17   0.952  -0.144   4.797
  114   1HG1  ILE  17          2HG1      ILE  17   2.529   1.637   2.955
  115   2HG1  ILE  17          1HG1      ILE  17   2.222  -0.075   2.617
  116   1HG2  ILE  17          1HG2      ILE  17   1.324   1.650   6.440
  117   2HG2  ILE  17          2HG2      ILE  17   2.181   2.608   5.209
  118   3HG2  ILE  17          3HG2      ILE  17   0.452   2.249   5.030
  119   1HD1  ILE  17          1HD1      ILE  17   0.242   2.207   2.794
  120   2HD1  ILE  17          2HD1      ILE  17   0.643   1.192   1.403
  121   3HD1  ILE  17          3HD1      ILE  17  -0.257   0.495   2.771
  122    H    CYS  18           H        CYS  18   4.064  -1.369   3.461
  123    HA   CYS  18           HA       CYS  18   2.731  -3.976   4.201
  124   1HB   CYS  18          2HB       CYS  18   1.295  -2.158   2.942
  125   2HB   CYS  18          1HB       CYS  18   2.239  -2.608   1.576
  126   1HN   NH2  19          1HN       NH2  19   5.582  -2.668   2.938
  127   2HN   NH2  19          2HN       NH2  19   6.062  -4.086   2.028
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -7.183  -2.010   7.341
    2   2H    ARG   1          2H        ARG   1  -6.510  -1.612   8.771
    3   3H    ARG   1          3H        ARG   1  -6.548  -3.211   8.317
    4    HA   ARG   1           HA       ARG   1  -4.378  -1.912   7.970
    5   1HB   ARG   1          1HB       ARG   1  -5.058  -4.172   6.829
    6   2HB   ARG   1          2HB       ARG   1  -5.614  -3.148   5.518
    7   1HG   ARG   1          1HG       ARG   1  -3.410  -4.151   5.084
    8   2HG   ARG   1          2HG       ARG   1  -3.419  -2.426   5.007
    9   1HD   ARG   1          2HD       ARG   1  -2.327  -2.306   7.283
   10   2HD   ARG   1          1HD       ARG   1  -2.700  -4.003   7.542
   11    HE   ARG   1           HE       ARG   1  -1.039  -4.671   5.971
   12   1HH1  ARG   1          2HH1      ARG   1  -0.735  -1.193   6.818
   13   2HH1  ARG   1          1HH1      ARG   1   0.997  -1.237   6.603
   14   1HH2  ARG   1          1HH2      ARG   1   1.300  -4.591   5.798
   15   2HH2  ARG   1          2HH2      ARG   1   2.073  -3.030   5.996
   16    H    ASP   2           H        ASP   2  -3.364  -0.476   6.293
   17    HA   ASP   2           HA       ASP   2  -4.909   1.771   5.460
   18   1HB   ASP   2          2HB       ASP   2  -2.435   1.822   5.715
   19   2HB   ASP   2          1HB       ASP   2  -2.320   0.708   4.344
   20    HA   HYP   3           HA       HYP   3  -7.100  -0.498   2.118
   21   1HB   HYP   3          1HB       HYP   3  -7.324   2.401   1.286
   22   2HB   HYP   3          2HB       HYP   3  -8.555   1.112   1.130
   23   1HD   HYP   3          1HD       HYP   3  -7.010   1.782   4.953
   24   2HD   HYP   3          2HD       HYP   3  -6.399   2.878   3.680
   25    HOD  HYP   3           HOD      HYP   3  -9.224   0.983   4.607
   26    HG   HYP   3           HG       HYP   3  -8.747   2.804   3.197
   27    H    CYS   4           H        CYS   4  -4.576   2.022   1.674
   28    HA   CYS   4           HA       CYS   4  -4.122   1.613  -1.142
   29   1HB   CYS   4          1HB       CYS   4  -2.601   3.253  -0.940
   30   2HB   CYS   4          2HB       CYS   4  -3.412   3.501   0.590
   31    H    CYS   5           H        CYS   5  -2.942  -0.280   1.727
   32    HA   CYS   5           HA       CYS   5  -0.826  -1.571   0.356
   33   1HB   CYS   5          2HB       CYS   5  -2.749  -3.175   2.130
   34   2HB   CYS   5          1HB       CYS   5  -1.091  -3.532   1.567
   35    H    TYR   6           H        TYR   6  -4.337  -2.021   0.136
   36    HA   TYR   6           HA       TYR   6  -4.193  -4.549  -1.390
   37   1HB   TYR   6          2HB       TYR   6  -6.539  -2.810  -0.590
   38   2HB   TYR   6          1HB       TYR   6  -6.615  -4.499  -1.062
   39    HD1  TYR   6           HD1      TYR   6  -4.176  -5.470   0.657
   40    HD2  TYR   6           HD2      TYR   6  -7.482  -2.852   1.583
   41    HE1  TYR   6           HE1      TYR   6  -3.979  -6.034   3.068
   42    HE2  TYR   6           HE2      TYR   6  -7.316  -3.527   3.977
   43    HH   TYR   6           HH       TYR   6  -5.386  -6.396   4.911
   44    H    HIS   7           H        HIS   7  -3.460  -1.627  -2.348
   45    HA   HIS   7           HA       HIS   7  -4.682  -1.831  -5.059
   46   1HB   HIS   7          2HB       HIS   7  -4.222   0.700  -3.452
   47   2HB   HIS   7          1HB       HIS   7  -4.892   0.576  -5.079
   48    HD1  HIS   7           HD1      HIS   7  -6.810  -1.990  -4.095
   49    HD2  HIS   7           HD2      HIS   7  -6.426   1.771  -2.245
   50    HE1  HIS   7           HE1      HIS   7  -8.967  -1.567  -2.797
   51    HE2  HIS   7           HE2      HIS   7  -8.745   0.725  -1.656
   52    HA   PRO   8           HA       PRO   8  -0.293  -2.864  -4.445
   53   1HB   PRO   8          2HB       PRO   8  -0.464  -2.830  -7.456
   54   2HB   PRO   8          1HB       PRO   8   0.502  -3.918  -6.409
   55   1HG   PRO   8          2HG       PRO   8  -1.935  -4.750  -7.264
   56   2HG   PRO   8          1HG       PRO   8  -1.445  -4.996  -5.564
   57   1HD   PRO   8          2HD       PRO   8  -3.345  -2.970  -6.676
   58   2HD   PRO   8          1HD       PRO   8  -3.357  -3.813  -5.100
   59    H    THR   9           H        THR   9  -0.954  -0.460  -6.986
   60    HA   THR   9           HA       THR   9   1.239   1.009  -7.323
   61    HB   THR   9           HB       THR   9  -1.509   2.121  -6.580
   62    HG1  THR   9           HG1      THR   9  -0.620   1.058  -9.049
   63   1HG2  THR   9          1HG2      THR   9   0.626   3.086  -8.533
   64   2HG2  THR   9          2HG2      THR   9   0.187   3.858  -6.994
   65   3HG2  THR   9          3HG2      THR   9  -0.993   3.795  -8.316
   66    H    CYS  10           H        CYS  10  -0.922   1.375  -4.491
   67    HA   CYS  10           HA       CYS  10   0.120   3.346  -2.837
   68   1HB   CYS  10          1HB       CYS  10  -1.699   1.990  -2.187
   69   2HB   CYS  10          2HB       CYS  10  -0.819   0.540  -2.377
   70    H    ASN  11           H        ASN  11   1.062  -0.045  -3.072
   71    HA   ASN  11           HA       ASN  11   2.755   0.273  -0.850
   72   1HB   ASN  11          1HB       ASN  11   2.013  -1.725  -0.244
   73   2HB   ASN  11          2HB       ASN  11   0.694  -1.211  -1.240
   74   1HD2  ASN  11          1HD2      ASN  11  -0.053  -3.284  -1.232
   75   2HD2  ASN  11          2HD2      ASN  11   0.737  -4.607  -1.958
   76    H    MET  12           H        MET  12   2.972  -0.642  -4.093
   77    HA   MET  12           HA       MET  12   5.836  -1.094  -4.184
   78   1HB   MET  12          2HB       MET  12   3.957   0.079  -6.297
   79   2HB   MET  12          1HB       MET  12   5.613  -0.511  -6.568
   80   1HG   MET  12          2HG       MET  12   4.893  -2.726  -5.623
   81   2HG   MET  12          1HG       MET  12   3.232  -2.148  -5.593
   82   1HE   MET  12          1HE       MET  12   2.783  -4.473  -6.876
   83   2HE   MET  12          2HE       MET  12   4.510  -4.817  -7.116
   84   3HE   MET  12          3HE       MET  12   3.401  -4.830  -8.505
   85    H    SER  13           H        SER  13   3.759   1.764  -4.468
   86    HA   SER  13           HA       SER  13   5.882   3.680  -4.605
   87   1HB   SER  13          1HB       SER  13   2.962   3.972  -3.757
   88   2HB   SER  13          2HB       SER  13   4.076   5.313  -3.963
   89    HG   SER  13           HG       SER  13   3.173   3.414  -5.850
   90    H    ASN  14           H        ASN  14   4.276   2.164  -1.858
   91    HA   ASN  14           HA       ASN  14   6.100   3.567   0.057
   92   1HB   ASN  14          1HB       ASN  14   3.107   3.159   0.406
   93   2HB   ASN  14          2HB       ASN  14   4.260   3.890   1.532
   94   1HD2  ASN  14          2HD2      ASN  14   2.636   4.362  -1.536
   95   2HD2  ASN  14          1HD2      ASN  14   2.850   6.125  -1.566
   96    HA   PRO  15           HA       PRO  15   5.953  -1.007   0.841
   97   1HB   PRO  15          2HB       PRO  15   8.684  -1.258   1.357
   98   2HB   PRO  15          1HB       PRO  15   7.906  -1.520  -0.235
   99   1HG   PRO  15          1HG       PRO  15   9.293   0.968   0.770
  100   2HG   PRO  15          2HG       PRO  15   9.427   0.213  -0.842
  101   1HD   PRO  15          1HD       PRO  15   7.864   2.356  -0.404
  102   2HD   PRO  15          2HD       PRO  15   7.300   1.076  -1.501
  103    H    GLN  16           H        GLN  16   7.521   1.757   2.335
  104    HA   GLN  16           HA       GLN  16   7.897   1.098   4.911
  105   1HB   GLN  16          1HB       GLN  16   7.443   3.449   5.451
  106   2HB   GLN  16          2HB       GLN  16   8.376   3.270   3.959
  107   1HG   GLN  16          1HG       GLN  16   6.232   3.571   2.656
  108   2HG   GLN  16          2HG       GLN  16   5.414   3.935   4.185
  109   1HE2  GLN  16          1HE2      GLN  16   5.518   5.874   1.962
  110   2HE2  GLN  16          2HE2      GLN  16   6.527   7.158   2.561
  111    H    ILE  17           H        ILE  17   4.732   1.508   3.456
  112    HA   ILE  17           HA       ILE  17   3.400   1.154   6.080
  113    HB   ILE  17           HB       ILE  17   1.886   1.232   3.510
  114   1HG1  ILE  17          2HG1      ILE  17   3.067   3.656   4.757
  115   2HG1  ILE  17          1HG1      ILE  17   3.275   2.982   3.128
  116   1HG2  ILE  17          1HG2      ILE  17   1.246   2.413   6.238
  117   2HG2  ILE  17          2HG2      ILE  17   0.117   2.100   4.900
  118   3HG2  ILE  17          3HG2      ILE  17   0.819   0.755   5.780
  119   1HD1  ILE  17          1HD1      ILE  17   0.721   4.169   4.239
  120   2HD1  ILE  17          2HD1      ILE  17   0.832   3.237   2.728
  121   3HD1  ILE  17          3HD1      ILE  17   1.714   4.771   2.895
  122    H    CYS  18           H        CYS  18   3.604  -0.149   3.074
  123    HA   CYS  18           HA       CYS  18   1.901  -2.535   3.708
  124   1HB   CYS  18          2HB       CYS  18   1.704  -0.350   1.581
  125   2HB   CYS  18          1HB       CYS  18   0.884  -1.935   1.499
  126   1HN   NH2  19          1HN       NH2  19   5.116  -3.452   1.668
  127   2HN   NH2  19          2HN       NH2  19   5.016  -2.171   2.861
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -5.543  -2.147   8.230
    2   2H    ARG   1          2H        ARG   1  -5.958  -3.188   7.032
    3   3H    ARG   1          3H        ARG   1  -5.073  -3.744   8.334
    4    HA   ARG   1           HA       ARG   1  -3.201  -2.413   7.601
    5   1HB   ARG   1          2HB       ARG   1  -3.320  -4.624   6.661
    6   2HB   ARG   1          1HB       ARG   1  -4.544  -4.161   5.531
    7   1HG   ARG   1          1HG       ARG   1  -2.708  -4.364   4.233
    8   2HG   ARG   1          2HG       ARG   1  -2.891  -2.651   4.421
    9   1HD   ARG   1          1HD       ARG   1  -0.613  -2.856   4.920
   10   2HD   ARG   1          2HD       ARG   1  -1.169  -3.197   6.559
   11    HE   ARG   1           HE       ARG   1  -1.189  -5.626   5.089
   12   1HH1  ARG   1          2HH1      ARG   1   1.275  -3.330   6.261
   13   2HH1  ARG   1          1HH1      ARG   1   2.547  -4.509   6.194
   14   1HH2  ARG   1          1HH2      ARG   1   0.627  -7.018   4.656
   15   2HH2  ARG   1          2HH2      ARG   1   2.219  -6.334   4.834
   16    H    ASP   2           H        ASP   2  -2.354  -0.902   5.912
   17    HA   ASP   2           HA       ASP   2  -4.029   1.359   5.801
   18   1HB   ASP   2          2HB       ASP   2  -1.603   1.545   5.929
   19   2HB   ASP   2          1HB       ASP   2  -1.427   0.704   4.378
   20    HA   HYP   3           HA       HYP   3  -6.509   0.898   2.112
   21   1HB   HYP   3          1HB       HYP   3  -6.128   3.429   0.955
   22   2HB   HYP   3          2HB       HYP   3  -7.354   2.957   2.162
   23   1HD   HYP   3          1HD       HYP   3  -4.549   3.167   4.747
   24   2HD   HYP   3          2HD       HYP   3  -6.235   2.620   4.675
   25    HOD  HYP   3           HOD      HYP   3  -5.914   5.390   4.166
   26    HG   HYP   3           HG       HYP   3  -4.635   4.194   2.627
   27    H    CYS   4           H        CYS   4  -3.226   2.390   1.561
   28    HA   CYS   4           HA       CYS   4  -3.368   1.804  -1.276
   29   1HB   CYS   4          2HB       CYS   4  -1.158   2.756   0.562
   30   2HB   CYS   4          1HB       CYS   4  -0.809   2.318  -1.126
   31    H    CYS   5           H        CYS   5  -2.420  -0.098   1.564
   32    HA   CYS   5           HA       CYS   5  -0.597  -1.827   0.111
   33   1HB   CYS   5          1HB       CYS   5  -0.080  -1.680   1.846
   34   2HB   CYS   5          2HB       CYS   5  -1.605  -1.886   2.799
   35    H    TYR   6           H        TYR   6  -4.102  -1.661   0.260
   36    HA   TYR   6           HA       TYR   6  -4.458  -4.424  -0.749
   37   1HB   TYR   6          2HB       TYR   6  -6.440  -2.155  -0.664
   38   2HB   TYR   6          1HB       TYR   6  -6.800  -3.873  -0.714
   39    HD1  TYR   6           HD1      TYR   6  -5.591  -5.194   1.453
   40    HD2  TYR   6           HD2      TYR   6  -6.866  -1.092   1.298
   41    HE1  TYR   6           HE1      TYR   6  -5.820  -5.173   3.927
   42    HE2  TYR   6           HE2      TYR   6  -6.861  -1.002   3.783
   43    HH   TYR   6           HH       TYR   6  -6.862  -2.159   5.599
   44    H    HIS   7           H        HIS   7  -3.198  -1.686  -2.163
   45    HA   HIS   7           HA       HIS   7  -4.450  -2.143  -4.841
   46   1HB   HIS   7          2HB       HIS   7  -3.943   0.512  -3.481
   47   2HB   HIS   7          1HB       HIS   7  -4.600   0.258  -5.102
   48    HD1  HIS   7           HD1      HIS   7  -6.606  -2.144  -3.919
   49    HD2  HIS   7           HD2      HIS   7  -6.124   1.783  -2.464
   50    HE1  HIS   7           HE1      HIS   7  -8.785  -1.501  -2.743
   51    HE2  HIS   7           HE2      HIS   7  -8.492   0.884  -1.828
   52    HA   PRO   8           HA       PRO   8   0.028  -3.166  -4.701
   53   1HB   PRO   8          1HB       PRO   8  -0.681  -3.023  -7.634
   54   2HB   PRO   8          2HB       PRO   8   0.579  -4.023  -6.856
   55   1HG   PRO   8          1HG       PRO   8  -1.898  -5.067  -7.222
   56   2HG   PRO   8          2HG       PRO   8  -1.125  -5.254  -5.622
   57   1HD   PRO   8          1HD       PRO   8  -3.286  -3.354  -6.443
   58   2HD   PRO   8          2HD       PRO   8  -3.057  -4.173  -4.872
   59    H    THR   9           H        THR   9  -0.409  -0.981  -7.496
   60    HA   THR   9           HA       THR   9   1.900   0.326  -7.472
   61    HB   THR   9           HB       THR   9  -0.811   1.661  -7.874
   62    HG1  THR   9           HG1      THR   9   0.633  -0.011  -9.650
   63   1HG2  THR   9          1HG2      THR   9   1.882   2.032  -9.262
   64   2HG2  THR   9          2HG2      THR   9   1.096   3.189  -8.167
   65   3HG2  THR   9          3HG2      THR   9   0.350   2.810  -9.729
   66    H    CYS  10           H        CYS  10  -0.793   1.042  -5.322
   67    HA   CYS  10           HA       CYS  10  -0.048   3.614  -4.174
   68   1HB   CYS  10          2HB       CYS  10  -2.232   2.113  -4.420
   69   2HB   CYS  10          1HB       CYS  10  -1.740   1.593  -2.870
   70    H    ASN  11           H        ASN  11   0.618   0.217  -3.267
   71    HA   ASN  11           HA       ASN  11   2.278   1.171  -1.143
   72   1HB   ASN  11          1HB       ASN  11   2.186  -1.065  -0.279
   73   2HB   ASN  11          2HB       ASN  11   0.641  -0.343  -0.609
   74   1HD2  ASN  11          1HD2      ASN  11  -0.679  -1.504  -1.597
   75   2HD2  ASN  11          2HD2      ASN  11  -0.428  -3.151  -2.020
   76    H    MET  12           H        MET  12   2.660  -0.227  -4.214
   77    HA   MET  12           HA       MET  12   5.508  -0.769  -3.996
   78   1HB   MET  12          2HB       MET  12   3.911   0.289  -6.371
   79   2HB   MET  12          1HB       MET  12   5.586  -0.291  -6.429
   80   1HG   MET  12          1HG       MET  12   4.884  -2.458  -5.515
   81   2HG   MET  12          2HG       MET  12   3.205  -1.944  -5.493
   82   1HE   MET  12          1HE       MET  12   4.650  -4.598  -6.980
   83   2HE   MET  12          2HE       MET  12   3.479  -4.716  -8.312
   84   3HE   MET  12          3HE       MET  12   2.920  -4.350  -6.662
   85    H    SER  13           H        SER  13   3.593   2.126  -4.561
   86    HA   SER  13           HA       SER  13   5.796   4.001  -4.444
   87   1HB   SER  13          1HB       SER  13   2.793   4.357  -4.064
   88   2HB   SER  13          2HB       SER  13   3.968   5.651  -4.344
   89    HG   SER  13           HG       SER  13   3.213   3.531  -6.072
   90    H    ASN  14           H        ASN  14   4.802   2.050  -1.910
   91    HA   ASN  14           HA       ASN  14   5.678   3.702   0.053
   92   1HB   ASN  14          2HB       ASN  14   2.659   3.082   0.207
   93   2HB   ASN  14          1HB       ASN  14   3.632   3.680   1.555
   94   1HD2  ASN  14          2HD2      ASN  14   2.062   4.577  -1.464
   95   2HD2  ASN  14          1HD2      ASN  14   2.272   6.315  -1.236
   96    HA   PRO  15           HA       PRO  15   6.020  -0.871   0.460
   97   1HB   PRO  15          2HB       PRO  15   8.685   0.229   1.412
   98   2HB   PRO  15          1HB       PRO  15   8.382  -1.268   0.488
   99   1HG   PRO  15          1HG       PRO  15   9.295   0.947  -0.803
  100   2HG   PRO  15          2HG       PRO  15   7.989  -0.036  -1.530
  101   1HD   PRO  15          2HD       PRO  15   7.664   2.575  -0.040
  102   2HD   PRO  15          1HD       PRO  15   6.883   2.058  -1.474
  103    H    GLN  16           H        GLN  16   7.069   1.758   2.530
  104    HA   GLN  16           HA       GLN  16   7.287   0.899   4.998
  105   1HB   GLN  16          2HB       GLN  16   6.335   3.078   5.745
  106   2HB   GLN  16          1HB       GLN  16   7.548   3.189   4.463
  107   1HG   GLN  16          2HG       GLN  16   5.818   3.541   2.768
  108   2HG   GLN  16          1HG       GLN  16   4.541   3.351   3.985
  109   1HE2  GLN  16          1HE2      GLN  16   4.646   5.760   2.388
  110   2HE2  GLN  16          2HE2      GLN  16   5.163   7.020   3.473
  111    H    ILE  17           H        ILE  17   4.126   1.078   3.480
  112    HA   ILE  17           HA       ILE  17   2.805   0.502   6.053
  113    HB   ILE  17           HB       ILE  17   0.735   0.474   4.482
  114   1HG1  ILE  17          1HG1      ILE  17   2.540   2.074   2.705
  115   2HG1  ILE  17          2HG1      ILE  17   2.263   0.336   2.472
  116   1HG2  ILE  17          1HG2      ILE  17   1.117   2.252   6.088
  117   2HG2  ILE  17          2HG2      ILE  17   2.285   3.036   4.989
  118   3HG2  ILE  17          3HG2      ILE  17   0.564   2.955   4.560
  119   1HD1  ILE  17          1HD1      ILE  17  -0.181   0.805   2.309
  120   2HD1  ILE  17          2HD1      ILE  17   0.811   1.536   1.026
  121   3HD1  ILE  17          3HD1      ILE  17   0.222   2.546   2.364
  122    H    CYS  18           H        CYS  18   3.941  -1.221   3.537
  123    HA   CYS  18           HA       CYS  18   1.830  -3.338   3.785
  124   1HB   CYS  18          2HB       CYS  18   1.851  -1.715   1.857
  125   2HB   CYS  18          1HB       CYS  18   3.189  -2.545   1.230
  126   1HN   NH2  19          1HN       NH2  19   5.279  -2.860   2.842
  127   2HN   NH2  19          2HN       NH2  19   5.755  -4.506   3.228
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -3.951  -3.339   7.778
    2   2H    ARG   1          2H        ARG   1  -4.936  -2.033   7.438
    3   3H    ARG   1          3H        ARG   1  -4.725  -3.185   6.313
    4    HA   ARG   1           HA       ARG   1  -2.391  -1.698   7.295
    5   1HB   ARG   1          1HB       ARG   1  -3.202  -2.218   4.449
    6   2HB   ARG   1          2HB       ARG   1  -1.597  -1.856   5.057
    7   1HG   ARG   1          1HG       ARG   1  -3.131  -4.396   5.152
    8   2HG   ARG   1          2HG       ARG   1  -1.739  -4.120   4.261
    9   1HD   ARG   1          1HD       ARG   1  -1.651  -4.001   7.313
   10   2HD   ARG   1          2HD       ARG   1  -1.469  -5.499   6.436
   11    HE   ARG   1           HE       ARG   1   0.378  -3.115   6.306
   12   1HH1  ARG   1          2HH2      ARG   1  -0.106  -6.485   5.300
   13   2HH1  ARG   1          1HH2      ARG   1   1.599  -6.805   5.203
   14   1HH2  ARG   1          1HH1      ARG   1   2.512  -3.549   6.219
   15   2HH2  ARG   1          2HH1      ARG   1   3.109  -5.061   5.566
   16    H    ASP   2           H        ASP   2  -1.921   0.123   5.700
   17    HA   ASP   2           HA       ASP   2  -3.944   2.175   5.578
   18   1HB   ASP   2          2HB       ASP   2  -1.506   2.611   5.450
   19   2HB   ASP   2          1HB       ASP   2  -1.454   1.655   3.939
   20    HA   HYP   3           HA       HYP   3  -6.473   0.624   2.132
   21   1HB   HYP   3          1HB       HYP   3  -7.349   2.550   0.974
   22   2HB   HYP   3          2HB       HYP   3  -5.830   3.457   1.247
   23   1HD   HYP   3          1HD       HYP   3  -5.040   3.712   3.815
   24   2HD   HYP   3          2HD       HYP   3  -6.007   2.661   4.891
   25    HOD  HYP   3           HOD      HYP   3  -8.839   2.565   2.948
   26    HG   HYP   3           HG       HYP   3  -7.209   4.229   3.069
   27    H    CYS   4           H        CYS   4  -3.424   2.455   1.363
   28    HA   CYS   4           HA       CYS   4  -3.329   1.621  -1.319
   29   1HB   CYS   4          2HB       CYS   4  -1.161   2.560   0.594
   30   2HB   CYS   4          1HB       CYS   4  -0.819   2.201  -1.114
   31    H    CYS   5           H        CYS   5  -2.370  -0.251   1.612
   32    HA   CYS   5           HA       CYS   5  -0.559  -1.941   0.164
   33   1HB   CYS   5          1HB       CYS   5  -0.211  -1.933   1.978
   34   2HB   CYS   5          2HB       CYS   5  -1.811  -2.496   2.759
   35    H    TYR   6           H        TYR   6  -4.051  -1.807   0.224
   36    HA   TYR   6           HA       TYR   6  -4.403  -4.505  -0.938
   37   1HB   TYR   6          2HB       TYR   6  -6.385  -2.279  -0.401
   38   2HB   TYR   6          1HB       TYR   6  -6.764  -3.973  -0.683
   39    HD1  TYR   6           HD1      TYR   6  -5.323  -5.625   0.986
   40    HD2  TYR   6           HD2      TYR   6  -6.222  -1.508   1.813
   41    HE1  TYR   6           HE1      TYR   6  -4.812  -5.981   3.396
   42    HE2  TYR   6           HE2      TYR   6  -5.718  -1.885   4.216
   43    HH   TYR   6           HH       TYR   6  -5.735  -5.224   5.475
   44    H    HIS   7           H        HIS   7  -3.227  -1.733  -2.231
   45    HA   HIS   7           HA       HIS   7  -4.502  -2.135  -4.901
   46   1HB   HIS   7          2HB       HIS   7  -3.982   0.519  -3.537
   47   2HB   HIS   7          1HB       HIS   7  -4.665   0.265  -5.147
   48    HD1  HIS   7           HD1      HIS   7  -6.686  -2.103  -3.963
   49    HD2  HIS   7           HD2      HIS   7  -6.106   1.780  -2.433
   50    HE1  HIS   7           HE1      HIS   7  -8.830  -1.450  -2.733
   51    HE2  HIS   7           HE2      HIS   7  -8.484   0.912  -1.780
   52    HA   PRO   8           HA       PRO   8  -0.033  -3.150  -4.618
   53   1HB   PRO   8          2HB       PRO   8  -0.535  -3.080  -7.589
   54   2HB   PRO   8          1HB       PRO   8   0.599  -4.122  -6.675
   55   1HG   PRO   8          1HG       PRO   8  -1.865  -5.065  -7.236
   56   2HG   PRO   8          2HG       PRO   8  -1.192  -5.279  -5.597
   57   1HD   PRO   8          2HD       PRO   8  -3.288  -3.347  -6.502
   58   2HD   PRO   8          1HD       PRO   8  -3.104  -4.168  -4.924
   59    H    THR   9           H        THR   9  -0.383  -1.015  -7.473
   60    HA   THR   9           HA       THR   9   1.888   0.345  -7.427
   61    HB   THR   9           HB       THR   9  -0.820   1.672  -7.841
   62    HG1  THR   9           HG1      THR   9  -0.643   0.637  -9.921
   63   1HG2  THR   9          1HG2      THR   9   1.855   1.933  -9.284
   64   2HG2  THR   9          2HG2      THR   9   1.158   3.128  -8.169
   65   3HG2  THR   9          3HG2      THR   9   0.350   2.784  -9.708
   66    H    CYS  10           H        CYS  10  -0.828   1.038  -5.311
   67    HA   CYS  10           HA       CYS  10  -0.110   3.600  -4.137
   68   1HB   CYS  10          2HB       CYS  10  -2.271   2.099  -4.390
   69   2HB   CYS  10          1HB       CYS  10  -1.760   1.517  -2.866
   70    H    ASN  11           H        ASN  11   0.602   0.210  -3.250
   71    HA   ASN  11           HA       ASN  11   2.246   1.174  -1.124
   72   1HB   ASN  11          1HB       ASN  11   2.164  -1.036  -0.251
   73   2HB   ASN  11          2HB       ASN  11   0.602  -0.377  -0.622
   74   1HD2  ASN  11          1HD2      ASN  11  -0.646  -1.647  -1.527
   75   2HD2  ASN  11          2HD2      ASN  11  -0.326  -3.270  -1.955
   76    H    MET  12           H        MET  12   2.659  -0.236  -4.197
   77    HA   MET  12           HA       MET  12   5.521  -0.713  -3.919
   78   1HB   MET  12          2HB       MET  12   4.054   0.297  -6.395
   79   2HB   MET  12          1HB       MET  12   5.691  -0.387  -6.313
   80   1HG   MET  12          1HG       MET  12   4.556  -2.411  -5.143
   81   2HG   MET  12          2HG       MET  12   3.057  -1.780  -5.798
   82   1HE   MET  12          1HE       MET  12   2.433  -1.759  -8.400
   83   2HE   MET  12          2HE       MET  12   3.835  -0.686  -8.666
   84   3HE   MET  12          3HE       MET  12   3.609  -2.128  -9.677
   85    H    SER  13           H        SER  13   3.546   2.134  -4.506
   86    HA   SER  13           HA       SER  13   5.727   4.046  -4.371
   87   1HB   SER  13          1HB       SER  13   2.713   4.375  -4.063
   88   2HB   SER  13          2HB       SER  13   3.885   5.672  -4.341
   89    HG   SER  13           HG       SER  13   3.184   3.518  -6.050
   90    H    ASN  14           H        ASN  14   4.752   2.091  -1.860
   91    HA   ASN  14           HA       ASN  14   5.557   3.771   0.097
   92   1HB   ASN  14          2HB       ASN  14   2.570   3.043   0.269
   93   2HB   ASN  14          1HB       ASN  14   3.524   3.636   1.618
   94   1HD2  ASN  14          2HD2      ASN  14   1.902   4.556  -1.364
   95   2HD2  ASN  14          1HD2      ASN  14   2.095   6.294  -1.134
   96    HA   PRO  15           HA       PRO  15   6.056  -0.775   0.472
   97   1HB   PRO  15          2HB       PRO  15   8.668   0.408   1.473
   98   2HB   PRO  15          1HB       PRO  15   8.436  -1.094   0.536
   99   1HG   PRO  15          2HG       PRO  15   9.272   1.169  -0.732
  100   2HG   PRO  15          1HG       PRO  15   8.014   0.139  -1.477
  101   1HD   PRO  15          2HD       PRO  15   7.582   2.722   0.031
  102   2HD   PRO  15          1HD       PRO  15   6.835   2.186  -1.415
  103    H    GLN  16           H        GLN  16   6.831   1.879   2.671
  104    HA   GLN  16           HA       GLN  16   7.292   0.516   4.989
  105   1HB   GLN  16          1HB       GLN  16   6.956   2.536   6.156
  106   2HB   GLN  16          2HB       GLN  16   7.751   2.904   4.629
  107   1HG   GLN  16          1HG       GLN  16   4.737   3.225   5.044
  108   2HG   GLN  16          2HG       GLN  16   5.918   4.462   5.484
  109   1HE2  GLN  16          1HE2      GLN  16   4.354   5.623   3.932
  110   2HE2  GLN  16          2HE2      GLN  16   4.782   5.613   2.240
  111    H    ILE  17           H        ILE  17   4.132   1.025   3.597
  112    HA   ILE  17           HA       ILE  17   2.817   0.337   6.139
  113    HB   ILE  17           HB       ILE  17   0.733   0.401   4.600
  114   1HG1  ILE  17          2HG1      ILE  17   2.559   1.980   2.830
  115   2HG1  ILE  17          1HG1      ILE  17   2.300   0.254   2.548
  116   1HG2  ILE  17          1HG2      ILE  17   0.701   2.914   4.675
  117   2HG2  ILE  17          2HG2      ILE  17   1.247   2.190   6.200
  118   3HG2  ILE  17          3HG2      ILE  17   2.425   2.898   5.072
  119   1HD1  ILE  17          1HD1      ILE  17   0.861   1.499   1.129
  120   2HD1  ILE  17          2HD1      ILE  17   0.199   2.417   2.499
  121   3HD1  ILE  17          3HD1      ILE  17  -0.122   0.659   2.349
  122    H    CYS  18           H        CYS  18   3.950  -1.263   3.526
  123    HA   CYS  18           HA       CYS  18   1.914  -3.467   3.720
  124   1HB   CYS  18          2HB       CYS  18   1.745  -1.734   1.950
  125   2HB   CYS  18          1HB       CYS  18   3.138  -2.360   1.225
  126   1HN   NH2  19          1HN       NH2  19   5.284  -2.815   2.540
  127   2HN   NH2  19          2HN       NH2  19   5.834  -4.459   2.807
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -6.633  -3.553   7.701
    2   2H    ARG   1          2H        ARG   1  -7.192  -2.469   6.560
    3   3H    ARG   1          3H        ARG   1  -6.896  -1.958   8.081
    4    HA   ARG   1           HA       ARG   1  -4.616  -2.062   7.802
    5   1HB   ARG   1          1HB       ARG   1  -4.826  -4.317   6.499
    6   2HB   ARG   1          2HB       ARG   1  -5.102  -3.297   5.090
    7   1HG   ARG   1          2HG       ARG   1  -2.891  -4.067   5.092
    8   2HG   ARG   1          1HG       ARG   1  -2.858  -2.323   5.317
    9   1HD   ARG   1          2HD       ARG   1  -2.254  -2.469   7.643
   10   2HD   ARG   1          1HD       ARG   1  -2.809  -4.139   7.740
   11    HE   ARG   1           HE       ARG   1  -0.880  -4.952   6.837
   12   1HH1  ARG   1          1HH2      ARG   1  -0.618  -1.336   6.808
   13   2HH1  ARG   1          2HH2      ARG   1   1.108  -1.446   6.544
   14   1HH2  ARG   1          1HH1      ARG   1   1.416  -4.908   6.609
   15   2HH2  ARG   1          2HH1      ARG   1   2.190  -3.359   6.365
   16    H    ASP   2           H        ASP   2  -3.400  -0.527   6.459
   17    HA   ASP   2           HA       ASP   2  -4.569   1.795   5.570
   18   1HB   ASP   2          1HB       ASP   2  -2.011   0.724   4.412
   19   2HB   ASP   2          2HB       ASP   2  -2.423   2.361   4.867
   20    HA   HYP   3           HA       HYP   3  -6.662  -0.551   2.383
   21   1HB   HYP   3          1HB       HYP   3  -8.489   0.713   1.579
   22   2HB   HYP   3          2HB       HYP   3  -7.487   2.179   1.368
   23   1HD   HYP   3          1HD       HYP   3  -6.585   1.922   5.038
   24   2HD   HYP   3          2HD       HYP   3  -6.232   3.030   3.683
   25    HOD  HYP   3           HOD      HYP   3  -7.823  -0.030   4.283
   26    HG   HYP   3           HG       HYP   3  -8.622   2.610   3.456
   27    H    CYS   4           H        CYS   4  -4.627   2.139   1.516
   28    HA   CYS   4           HA       CYS   4  -4.111   1.802  -1.234
   29   1HB   CYS   4          1HB       CYS   4  -2.428   3.351  -0.843
   30   2HB   CYS   4          2HB       CYS   4  -3.346   3.528   0.650
   31    H    CYS   5           H        CYS   5  -2.851  -0.159   1.538
   32    HA   CYS   5           HA       CYS   5  -0.889  -1.735   0.196
   33   1HB   CYS   5          2HB       CYS   5  -2.923  -2.703   2.243
   34   2HB   CYS   5          1HB       CYS   5  -1.415  -3.486   1.726
   35    H    TYR   6           H        TYR   6  -4.431  -1.965   0.094
   36    HA   TYR   6           HA       TYR   6  -4.353  -4.474  -1.486
   37   1HB   TYR   6          2HB       TYR   6  -6.658  -2.748  -0.541
   38   2HB   TYR   6          1HB       TYR   6  -6.780  -4.397  -1.130
   39    HD1  TYR   6           HD1      TYR   6  -4.415  -5.641   0.409
   40    HD2  TYR   6           HD2      TYR   6  -7.508  -2.900   1.663
   41    HE1  TYR   6           HE1      TYR   6  -4.195  -6.449   2.734
   42    HE2  TYR   6           HE2      TYR   6  -7.330  -3.794   3.981
   43    HH   TYR   6           HH       TYR   6  -5.338  -6.645   4.745
   44    H    HIS   7           H        HIS   7  -3.617  -1.528  -2.363
   45    HA   HIS   7           HA       HIS   7  -4.849  -1.699  -5.069
   46   1HB   HIS   7          1HB       HIS   7  -4.352   0.815  -3.448
   47   2HB   HIS   7          2HB       HIS   7  -5.008   0.711  -5.080
   48    HD1  HIS   7           HD1      HIS   7  -6.972  -1.833  -4.155
   49    HD2  HIS   7           HD2      HIS   7  -6.555   1.881  -2.222
   50    HE1  HIS   7           HE1      HIS   7  -9.153  -1.390  -2.905
   51    HE2  HIS   7           HE2      HIS   7  -8.913   0.874  -1.713
   52    HA   PRO   8           HA       PRO   8  -0.481  -2.781  -4.466
   53   1HB   PRO   8          2HB       PRO   8  -0.684  -2.807  -7.475
   54   2HB   PRO   8          1HB       PRO   8   0.286  -3.890  -6.429
   55   1HG   PRO   8          1HG       PRO   8  -2.147  -4.726  -7.226
   56   2HG   PRO   8          2HG       PRO   8  -1.689  -4.902  -5.508
   57   1HD   PRO   8          1HD       PRO   8  -3.493  -2.856  -6.749
   58   2HD   PRO   8          2HD       PRO   8  -3.623  -3.671  -5.164
   59    H    THR   9           H        THR   9  -1.235  -0.335  -6.942
   60    HA   THR   9           HA       THR   9   1.158   0.871  -7.270
   61    HB   THR   9           HB       THR   9  -1.538   2.296  -6.960
   62    HG1  THR   9           HG1      THR   9  -0.572   0.815  -9.175
   63   1HG2  THR   9          1HG2      THR   9   0.327   3.813  -7.461
   64   2HG2  THR   9          2HG2      THR   9  -0.731   3.648  -8.873
   65   3HG2  THR   9          3HG2      THR   9   0.829   2.787  -8.821
   66    H    CYS  10           H        CYS  10  -1.003   1.340  -4.417
   67    HA   CYS  10           HA       CYS  10   0.259   3.538  -3.081
   68   1HB   CYS  10          1HB       CYS  10  -1.608   2.336  -2.310
   69   2HB   CYS  10          2HB       CYS  10  -0.631   0.976  -1.807
   70    H    ASN  11           H        ASN  11   0.899   0.116  -3.272
   71    HA   ASN  11           HA       ASN  11   2.523   0.237  -0.998
   72   1HB   ASN  11          2HB       ASN  11   0.813  -1.009  -0.693
   73   2HB   ASN  11          1HB       ASN  11   0.551  -1.550  -2.310
   74   1HD2  ASN  11          2HD2      ASN  11  -0.204  -3.320  -1.030
   75   2HD2  ASN  11          1HD2      ASN  11   0.892  -4.434  -0.282
   76    H    MET  12           H        MET  12   2.772  -0.903  -4.200
   77    HA   MET  12           HA       MET  12   5.556  -1.539  -4.329
   78   1HB   MET  12          1HB       MET  12   5.400  -1.098  -6.655
   79   2HB   MET  12          2HB       MET  12   3.783  -1.687  -6.210
   80   1HG   MET  12          1HG       MET  12   2.979   0.554  -6.127
   81   2HG   MET  12          2HG       MET  12   4.540   1.222  -6.614
   82   1HE   MET  12          1HE       MET  12   5.658   1.091  -8.894
   83   2HE   MET  12          2HE       MET  12   5.672  -0.690  -8.901
   84   3HE   MET  12          3HE       MET  12   5.021   0.198 -10.291
   85    H    SER  13           H        SER  13   3.788   1.513  -4.243
   86    HA   SER  13           HA       SER  13   6.156   3.187  -4.466
   87   1HB   SER  13          1HB       SER  13   3.208   3.881  -3.949
   88   2HB   SER  13          2HB       SER  13   4.484   5.037  -4.176
   89    HG   SER  13           HG       SER  13   3.274   3.305  -5.967
   90    H    ASN  14           H        ASN  14   5.091   1.445  -1.742
   91    HA   ASN  14           HA       ASN  14   6.066   3.319   0.103
   92   1HB   ASN  14          2HB       ASN  14   3.084   2.608   0.244
   93   2HB   ASN  14          1HB       ASN  14   4.013   3.452   1.497
   94   1HD2  ASN  14          2HD2      ASN  14   5.309   5.185  -0.685
   95   2HD2  ASN  14          1HD2      ASN  14   4.088   6.430  -0.884
   96    HA   PRO  15           HA       PRO  15   6.908  -0.999   1.443
   97   1HB   PRO  15          1HB       PRO  15   9.112   0.977   2.099
   98   2HB   PRO  15          2HB       PRO  15   9.260  -0.771   1.831
   99   1HG   PRO  15          1HG       PRO  15   9.830   0.943  -0.211
  100   2HG   PRO  15          2HG       PRO  15   8.756  -0.447  -0.563
  101   1HD   PRO  15          2HD       PRO  15   7.923   2.408   0.008
  102   2HD   PRO  15          1HD       PRO  15   7.313   1.388  -1.210
  103    H    GLN  16           H        GLN  16   7.198   2.258   2.715
  104    HA   GLN  16           HA       GLN  16   7.169   2.289   5.319
  105   1HB   GLN  16          1HB       GLN  16   6.829   4.273   3.995
  106   2HB   GLN  16          2HB       GLN  16   5.237   3.720   3.459
  107   1HG   GLN  16          2HG       GLN  16   4.325   4.013   5.735
  108   2HG   GLN  16          1HG       GLN  16   5.934   4.436   6.330
  109   1HE2  GLN  16          1HE2      GLN  16   3.474   5.436   3.871
  110   2HE2  GLN  16          2HE2      GLN  16   3.851   7.145   3.999
  111    H    ILE  17           H        ILE  17   4.153   1.564   3.606
  112    HA   ILE  17           HA       ILE  17   2.984   0.570   6.144
  113    HB   ILE  17           HB       ILE  17   0.965   0.130   4.593
  114   1HG1  ILE  17          1HG1      ILE  17   2.289   0.954   2.505
  115   2HG1  ILE  17          2HG1      ILE  17   0.598   1.278   2.760
  116   1HG2  ILE  17          1HG2      ILE  17   1.700   2.857   5.671
  117   2HG2  ILE  17          2HG2      ILE  17   0.866   1.530   6.505
  118   3HG2  ILE  17          3HG2      ILE  17   0.073   2.354   5.150
  119   1HD1  ILE  17          1HD1      ILE  17   1.761   3.261   1.938
  120   2HD1  ILE  17          2HD1      ILE  17   2.805   3.270   3.383
  121   3HD1  ILE  17          3HD1      ILE  17   1.057   3.571   3.507
  122    H    CYS  18           H        CYS  18   3.738  -0.348   3.072
  123    HA   CYS  18           HA       CYS  18   3.318  -3.274   3.495
  124   1HB   CYS  18          2HB       CYS  18   1.511  -1.382   1.918
  125   2HB   CYS  18          1HB       CYS  18   1.678  -3.115   1.504
  126   1HN   NH2  19          1HN       NH2  19   3.990  -0.718   1.040
  127   2HN   NH2  19          2HN       NH2  19   4.954  -1.752   0.015
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -7.416  -1.333   7.283
    2   2H    ARG   1          2H        ARG   1  -6.663  -0.663   8.575
    3   3H    ARG   1          3H        ARG   1  -6.640  -2.308   8.384
    4    HA   ARG   1           HA       ARG   1  -4.541  -1.204   7.724
    5   1HB   ARG   1          1HB       ARG   1  -5.430  -3.431   6.688
    6   2HB   ARG   1          2HB       ARG   1  -6.029  -2.421   5.391
    7   1HG   ARG   1          2HG       ARG   1  -4.099  -3.263   4.542
    8   2HG   ARG   1          1HG       ARG   1  -3.617  -1.654   5.010
    9   1HD   ARG   1          2HD       ARG   1  -3.186  -3.860   7.047
   10   2HD   ARG   1          1HD       ARG   1  -2.268  -3.921   5.545
   11    HE   ARG   1           HE       ARG   1  -2.253  -1.292   6.878
   12   1HH1  ARG   1          1HH2      ARG   1  -0.285  -4.204   6.185
   13   2HH1  ARG   1          2HH2      ARG   1   1.173  -3.229   6.323
   14   1HH2  ARG   1          1HH1      ARG   1  -0.471  -0.290   7.110
   15   2HH2  ARG   1          2HH1      ARG   1   1.112  -1.084   6.972
   16    H    ASP   2           H        ASP   2  -3.725   0.596   6.721
   17    HA   ASP   2           HA       ASP   2  -4.628   2.654   5.150
   18   1HB   ASP   2          1HB       ASP   2  -2.315   2.073   3.968
   19   2HB   ASP   2          2HB       ASP   2  -2.396   2.714   5.609
   20    HA   HYP   3           HA       HYP   3  -6.796  -0.302   2.507
   21   1HB   HYP   3          1HB       HYP   3  -7.579   2.232   1.073
   22   2HB   HYP   3          2HB       HYP   3  -8.608   0.828   1.471
   23   1HD   HYP   3          1HD       HYP   3  -6.719   2.656   4.705
   24   2HD   HYP   3          2HD       HYP   3  -6.391   3.435   3.131
   25    HOD  HYP   3           HOD      HYP   3  -8.001   0.542   4.294
   26    HG   HYP   3           HG       HYP   3  -8.763   3.006   3.016
   27    H    CYS   4           H        CYS   4  -4.767   2.276   1.254
   28    HA   CYS   4           HA       CYS   4  -4.489   1.427  -1.411
   29   1HB   CYS   4          1HB       CYS   4  -2.882   3.178  -1.549
   30   2HB   CYS   4          2HB       CYS   4  -3.924   3.648  -0.208
   31    H    CYS   5           H        CYS   5  -2.924   0.156   1.554
   32    HA   CYS   5           HA       CYS   5  -0.768  -1.352   0.362
   33   1HB   CYS   5          1HB       CYS   5  -0.496  -1.321   2.349
   34   2HB   CYS   5          2HB       CYS   5  -2.199  -1.396   2.891
   35    H    TYR   6           H        TYR   6  -4.298  -1.791   0.208
   36    HA   TYR   6           HA       TYR   6  -4.061  -4.577  -0.809
   37   1HB   TYR   6          2HB       TYR   6  -6.458  -2.740  -0.636
   38   2HB   TYR   6          1HB       TYR   6  -6.489  -4.469  -0.906
   39    HD1  TYR   6           HD1      TYR   6  -7.587  -2.380   1.392
   40    HD2  TYR   6           HD2      TYR   6  -4.655  -5.538   1.176
   41    HE1  TYR   6           HE1      TYR   6  -8.002  -2.945   3.780
   42    HE2  TYR   6           HE2      TYR   6  -5.067  -6.081   3.554
   43    HH   TYR   6           HH       TYR   6  -6.526  -5.791   5.326
   44    H    HIS   7           H        HIS   7  -3.224  -1.742  -2.183
   45    HA   HIS   7           HA       HIS   7  -4.332  -2.361  -4.887
   46   1HB   HIS   7          2HB       HIS   7  -4.203   0.350  -3.562
   47   2HB   HIS   7          1HB       HIS   7  -4.746  -0.007  -5.200
   48    HD1  HIS   7           HD1      HIS   7  -6.447  -2.662  -4.033
   49    HD2  HIS   7           HD2      HIS   7  -6.656   1.352  -2.761
   50    HE1  HIS   7           HE1      HIS   7  -8.765  -2.313  -3.014
   51    HE2  HIS   7           HE2      HIS   7  -8.901   0.127  -2.220
   52    HA   PRO   8           HA       PRO   8   0.201  -2.854  -4.773
   53   1HB   PRO   8          2HB       PRO   8  -0.459  -2.745  -7.708
   54   2HB   PRO   8          1HB       PRO   8   0.819  -3.700  -6.899
   55   1HG   PRO   8          1HG       PRO   8  -1.540  -4.895  -7.361
   56   2HG   PRO   8          2HG       PRO   8  -0.804  -5.045  -5.739
   57   1HD   PRO   8          1HD       PRO   8  -3.059  -3.282  -6.605
   58   2HD   PRO   8          2HD       PRO   8  -2.838  -4.142  -5.052
   59    H    THR   9           H        THR   9  -1.061  -0.490  -7.139
   60    HA   THR   9           HA       THR   9   1.101   1.054  -7.608
   61    HB   THR   9           HB       THR   9  -1.700   2.117  -6.983
   62    HG1  THR   9           HG1      THR   9  -0.790   0.826  -9.335
   63   1HG2  THR   9          1HG2      THR   9  -0.068   3.855  -7.599
   64   2HG2  THR   9          2HG2      THR   9  -1.259   3.620  -8.892
   65   3HG2  THR   9          3HG2      THR   9   0.380   2.943  -9.057
   66    H    CYS  10           H        CYS  10  -0.934   1.218  -4.634
   67    HA   CYS  10           HA       CYS  10  -0.036   3.664  -3.544
   68   1HB   CYS  10          2HB       CYS  10  -1.740   2.138  -2.712
   69   2HB   CYS  10          1HB       CYS  10  -0.586   1.306  -1.781
   70    H    ASN  11           H        ASN  11   0.868   0.350  -2.964
   71    HA   ASN  11           HA       ASN  11   2.770   1.085  -1.025
   72   1HB   ASN  11          1HB       ASN  11   2.174  -1.131  -0.110
   73   2HB   ASN  11          2HB       ASN  11   0.876  -0.045  -0.412
   74   1HD2  ASN  11          1HD2      ASN  11   0.999  -2.833  -0.086
   75   2HD2  ASN  11          2HD2      ASN  11  -0.255  -3.277  -1.189
   76    H    MET  12           H        MET  12   2.781  -0.425  -4.050
   77    HA   MET  12           HA       MET  12   5.618  -1.026  -4.149
   78   1HB   MET  12          2HB       MET  12   3.701   0.109  -6.248
   79   2HB   MET  12          1HB       MET  12   5.382  -0.368  -6.565
   80   1HG   MET  12          1HG       MET  12   4.919  -2.620  -5.727
   81   2HG   MET  12          2HG       MET  12   3.232  -2.212  -5.442
   82   1HE   MET  12          1HE       MET  12   3.012  -4.596  -6.759
   83   2HE   MET  12          2HE       MET  12   3.362  -4.781  -8.494
   84   3HE   MET  12          3HE       MET  12   4.695  -4.641  -7.327
   85    H    SER  13           H        SER  13   3.697   1.933  -4.476
   86    HA   SER  13           HA       SER  13   6.052   3.645  -4.562
   87   1HB   SER  13          2HB       SER  13   3.735   4.129  -5.618
   88   2HB   SER  13          1HB       SER  13   3.208   4.600  -4.015
   89    HG   SER  13           HG       SER  13   5.117   5.960  -3.928
   90    H    ASN  14           H        ASN  14   5.089   1.881  -1.941
   91    HA   ASN  14           HA       ASN  14   6.013   3.591  -0.034
   92   1HB   ASN  14          1HB       ASN  14   2.981   3.048   0.112
   93   2HB   ASN  14          2HB       ASN  14   3.940   3.587   1.481
   94   1HD2  ASN  14          2HD2      ASN  14   2.629   4.587  -1.638
   95   2HD2  ASN  14          1HD2      ASN  14   2.856   6.314  -1.374
   96    HA   PRO  15           HA       PRO  15   6.388  -0.947   0.582
   97   1HB   PRO  15          2HB       PRO  15   9.012   0.281   1.488
   98   2HB   PRO  15          1HB       PRO  15   8.761  -1.285   0.669
   99   1HG   PRO  15          1HG       PRO  15   9.627   0.853  -0.772
  100   2HG   PRO  15          2HG       PRO  15   8.344  -0.206  -1.434
  101   1HD   PRO  15          2HD       PRO  15   7.963   2.489  -0.117
  102   2HD   PRO  15          1HD       PRO  15   7.195   1.870  -1.520
  103    H    GLN  16           H        GLN  16   7.213   1.875   2.512
  104    HA   GLN  16           HA       GLN  16   7.476   0.995   5.013
  105   1HB   GLN  16          1HB       GLN  16   6.725   3.178   5.772
  106   2HB   GLN  16          2HB       GLN  16   7.729   3.305   4.321
  107   1HG   GLN  16          1HG       GLN  16   5.661   3.546   2.938
  108   2HG   GLN  16          2HG       GLN  16   4.685   3.511   4.415
  109   1HE2  GLN  16          1HE2      GLN  16   4.935   5.808   2.409
  110   2HE2  GLN  16          2HE2      GLN  16   5.546   7.103   3.404
  111    H    ILE  17           H        ILE  17   4.371   0.937   3.394
  112    HA   ILE  17           HA       ILE  17   3.003   0.523   5.973
  113    HB   ILE  17           HB       ILE  17   1.057   0.004   4.225
  114   1HG1  ILE  17          2HG1      ILE  17   2.787   1.968   2.759
  115   2HG1  ILE  17          1HG1      ILE  17   2.418   0.296   2.262
  116   1HG2  ILE  17          1HG2      ILE  17   0.978   1.666   6.051
  117   2HG2  ILE  17          2HG2      ILE  17   0.226   2.261   4.583
  118   3HG2  ILE  17          3HG2      ILE  17   1.852   2.826   5.013
  119   1HD1  ILE  17          1HD1      ILE  17   1.022   1.758   1.017
  120   2HD1  ILE  17          2HD1      ILE  17   0.539   2.666   2.454
  121   3HD1  ILE  17          3HD1      ILE  17  -0.021   0.985   2.240
  122    H    CYS  18           H        CYS  18   3.848  -1.212   3.292
  123    HA   CYS  18           HA       CYS  18   2.304  -3.639   4.217
  124   1HB   CYS  18          2HB       CYS  18   1.381  -1.865   2.440
  125   2HB   CYS  18          1HB       CYS  18   2.382  -2.729   1.374
  126   1HN   NH2  19          1HN       NH2  19   5.900  -4.279   2.508
  127   2HN   NH2  19          2HN       NH2  19   5.411  -2.675   3.014
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -0.592  -3.308   6.510
    2   2H    ARG   1          2H        ARG   1  -0.076  -1.759   6.518
    3   3H    ARG   1          3H        ARG   1  -1.166  -2.254   7.651
    4    HA   ARG   1           HA       ARG   1  -1.606  -1.944   4.775
    5   1HB   ARG   1          1HB       ARG   1  -2.780  -3.957   5.362
    6   2HB   ARG   1          2HB       ARG   1  -3.421  -3.225   6.830
    7   1HG   ARG   1          1HG       ARG   1  -4.349  -1.579   4.717
    8   2HG   ARG   1          2HG       ARG   1  -4.384  -3.174   4.073
    9   1HD   ARG   1          2HD       ARG   1  -6.507  -2.706   5.098
   10   2HD   ARG   1          1HD       ARG   1  -5.698  -3.833   6.207
   11    HE   ARG   1           HE       ARG   1  -4.967  -1.258   7.046
   12   1HH1  ARG   1          1HH2      ARG   1  -7.964  -3.100   6.807
   13   2HH1  ARG   1          2HH2      ARG   1  -8.831  -2.136   7.962
   14   1HH2  ARG   1          1HH1      ARG   1  -6.046   0.011   8.586
   15   2HH2  ARG   1          2HH1      ARG   1  -7.686  -0.331   9.034
   16    H    ASP   2           H        ASP   2  -1.475   0.205   4.642
   17    HA   ASP   2           HA       ASP   2  -3.761   1.748   5.732
   18   1HB   ASP   2          2HB       ASP   2  -1.791   3.098   5.105
   19   2HB   ASP   2          1HB       ASP   2  -1.738   2.280   3.523
   20    HA   HYP   3           HA       HYP   3  -6.228  -0.669   2.784
   21   1HB   HYP   3          1HB       HYP   3  -7.182   2.103   2.046
   22   2HB   HYP   3          2HB       HYP   3  -8.154   0.604   2.136
   23   1HD   HYP   3          1HD       HYP   3  -5.923   1.626   5.528
   24   2HD   HYP   3          2HD       HYP   3  -5.882   2.830   4.217
   25    HOD  HYP   3           HOD      HYP   3  -7.246  -0.453   4.550
   26    HG   HYP   3           HG       HYP   3  -8.201   2.243   4.256
   27    H    CYS   4           H        CYS   4  -4.448   2.193   1.521
   28    HA   CYS   4           HA       CYS   4  -4.443   1.521  -1.267
   29   1HB   CYS   4          1HB       CYS   4  -2.858   3.277  -1.435
   30   2HB   CYS   4          2HB       CYS   4  -3.800   3.657   0.009
   31    H    CYS   5           H        CYS   5  -2.582   0.125   1.418
   32    HA   CYS   5           HA       CYS   5  -0.596  -1.452   0.309
   33   1HB   CYS   5          1HB       CYS   5  -0.885  -1.699   2.413
   34   2HB   CYS   5          2HB       CYS   5  -2.607  -2.232   2.351
   35    H    TYR   6           H        TYR   6  -4.135  -1.973   0.134
   36    HA   TYR   6           HA       TYR   6  -3.860  -4.544  -1.339
   37   1HB   TYR   6          2HB       TYR   6  -6.262  -2.987  -0.347
   38   2HB   TYR   6          1HB       TYR   6  -6.305  -4.630  -0.963
   39    HD1  TYR   6           HD1      TYR   6  -7.428  -3.765   1.686
   40    HD2  TYR   6           HD2      TYR   6  -3.513  -5.289   0.682
   41    HE1  TYR   6           HE1      TYR   6  -7.184  -4.730   3.975
   42    HE2  TYR   6           HE2      TYR   6  -3.241  -6.107   2.988
   43    HH   TYR   6           HH       TYR   6  -4.393  -6.703   4.927
   44    H    HIS   7           H        HIS   7  -3.350  -1.668  -2.434
   45    HA   HIS   7           HA       HIS   7  -4.598  -2.120  -5.093
   46   1HB   HIS   7          2HB       HIS   7  -4.277   0.540  -3.665
   47   2HB   HIS   7          1HB       HIS   7  -4.920   0.274  -5.283
   48    HD1  HIS   7           HD1      HIS   7  -6.719  -2.318  -4.166
   49    HD2  HIS   7           HD2      HIS   7  -6.547   1.549  -2.519
   50    HE1  HIS   7           HE1      HIS   7  -8.930  -1.920  -2.956
   51    HE2  HIS   7           HE2      HIS   7  -8.834   0.436  -1.932
   52    HA   PRO   8           HA       PRO   8  -0.127  -2.798  -4.725
   53   1HB   PRO   8          2HB       PRO   8  -0.469  -2.797  -7.717
   54   2HB   PRO   8          1HB       PRO   8   0.643  -3.794  -6.727
   55   1HG   PRO   8          2HG       PRO   8  -1.751  -4.844  -7.429
   56   2HG   PRO   8          1HG       PRO   8  -1.182  -4.997  -5.742
   57   1HD   PRO   8          1HD       PRO   8  -3.232  -3.114  -6.854
   58   2HD   PRO   8          2HD       PRO   8  -3.203  -3.953  -5.275
   59    H    THR   9           H        THR   9  -1.188  -0.423  -7.138
   60    HA   THR   9           HA       THR   9   1.235   0.887  -7.488
   61    HB   THR   9           HB       THR   9  -0.796   1.206  -8.880
   62    HG1  THR   9           HG1      THR   9   0.527   3.488  -7.862
   63   1HG2  THR   9          1HG2      THR   9  -1.711   3.139  -6.699
   64   2HG2  THR   9          2HG2      THR   9  -2.496   2.813  -8.251
   65   3HG2  THR   9          3HG2      THR   9  -2.441   1.547  -7.007
   66    H    CYS  10           H        CYS  10  -0.952   1.165  -4.695
   67    HA   CYS  10           HA       CYS  10   0.041   3.605  -3.537
   68   1HB   CYS  10          1HB       CYS  10  -1.812   2.464  -2.852
   69   2HB   CYS  10          2HB       CYS  10  -0.856   1.273  -1.978
   70    H    ASN  11           H        ASN  11   0.788   0.134  -2.930
   71    HA   ASN  11           HA       ASN  11   2.752   0.986  -1.097
   72   1HB   ASN  11          1HB       ASN  11   2.323  -1.080   0.037
   73   2HB   ASN  11          2HB       ASN  11   0.880  -0.302  -0.517
   74   1HD2  ASN  11          1HD2      ASN  11   1.103  -2.947   0.294
   75   2HD2  ASN  11          2HD2      ASN  11   0.150  -3.612  -0.995
   76    H    MET  12           H        MET  12   2.721  -0.569  -4.100
   77    HA   MET  12           HA       MET  12   5.549  -1.121  -4.232
   78   1HB   MET  12          1HB       MET  12   5.321  -1.046  -6.582
   79   2HB   MET  12          2HB       MET  12   3.744  -1.596  -5.994
   80   1HG   MET  12          2HG       MET  12   3.161  -0.129  -7.559
   81   2HG   MET  12          1HG       MET  12   3.099   0.905  -6.124
   82   1HE   MET  12          1HE       MET  12   3.258   1.610  -9.430
   83   2HE   MET  12          2HE       MET  12   4.224   3.098  -9.328
   84   3HE   MET  12          3HE       MET  12   2.912   2.815  -8.169
   85    H    SER  13           H        SER  13   3.635   1.842  -4.320
   86    HA   SER  13           HA       SER  13   5.954   3.613  -4.582
   87   1HB   SER  13          2HB       SER  13   2.969   4.251  -4.180
   88   2HB   SER  13          1HB       SER  13   4.241   5.416  -4.371
   89    HG   SER  13           HG       SER  13   3.150   3.565  -6.146
   90    H    ASN  14           H        ASN  14   4.601   1.889  -1.988
   91    HA   ASN  14           HA       ASN  14   5.844   3.594   0.068
   92   1HB   ASN  14          1HB       ASN  14   2.868   2.930   0.066
   93   2HB   ASN  14          2HB       ASN  14   3.793   3.493   1.452
   94   1HD2  ASN  14          2HD2      ASN  14   2.566   4.437  -1.723
   95   2HD2  ASN  14          1HD2      ASN  14   2.702   6.177  -1.435
   96    HA   PRO  15           HA       PRO  15   6.057  -0.957   0.868
   97   1HB   PRO  15          2HB       PRO  15   8.624  -0.956   1.945
   98   2HB   PRO  15          1HB       PRO  15   8.244  -1.200   0.214
   99   1HG   PRO  15          2HG       PRO  15   9.120   1.345   1.578
  100   2HG   PRO  15          1HG       PRO  15   9.668   0.690   0.011
  101   1HD   PRO  15          1HD       PRO  15   7.813   2.666   0.213
  102   2HD   PRO  15          2HD       PRO  15   7.670   1.444  -1.077
  103    H    GLN  16           H        GLN  16   7.082   1.851   2.722
  104    HA   GLN  16           HA       GLN  16   7.256   1.082   5.240
  105   1HB   GLN  16          1HB       GLN  16   6.572   3.335   5.897
  106   2HB   GLN  16          2HB       GLN  16   7.588   3.342   4.449
  107   1HG   GLN  16          1HG       GLN  16   5.478   3.539   3.052
  108   2HG   GLN  16          2HG       GLN  16   4.571   3.721   4.561
  109   1HE2  GLN  16          1HE2      GLN  16   4.796   5.792   2.365
  110   2HE2  GLN  16          2HE2      GLN  16   5.569   7.128   3.172
  111    H    ILE  17           H        ILE  17   4.166   1.151   3.630
  112    HA   ILE  17           HA       ILE  17   2.705   0.874   6.160
  113    HB   ILE  17           HB       ILE  17   0.701   0.714   4.529
  114   1HG1  ILE  17          2HG1      ILE  17   2.713   1.869   2.618
  115   2HG1  ILE  17          1HG1      ILE  17   2.242   0.165   2.574
  116   1HG2  ILE  17          1HG2      ILE  17   2.293   3.302   4.566
  117   2HG2  ILE  17          2HG2      ILE  17   1.256   2.716   5.888
  118   3HG2  ILE  17          3HG2      ILE  17   0.543   3.135   4.330
  119   1HD1  ILE  17          1HD1      ILE  17   0.997   1.436   0.957
  120   2HD1  ILE  17          2HD1      ILE  17   0.463   2.568   2.212
  121   3HD1  ILE  17          3HD1      ILE  17  -0.109   0.870   2.239
  122    H    CYS  18           H        CYS  18   3.871  -1.145   3.852
  123    HA   CYS  18           HA       CYS  18   2.329  -3.456   4.901
  124   1HB   CYS  18          2HB       CYS  18   1.237  -1.913   2.729
  125   2HB   CYS  18          1HB       CYS  18   1.896  -3.371   2.020
  126   1HN   NH2  19          1HN       NH2  19   5.833  -4.158   3.356
  127   2HN   NH2  19          2HN       NH2  19   5.322  -2.575   3.903
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -6.577  -2.762   8.357
    2   2H    ARG   1          2H        ARG   1  -6.193  -1.193   8.739
    3   3H    ARG   1          3H        ARG   1  -7.122  -1.491   7.427
    4    HA   ARG   1           HA       ARG   1  -4.280  -2.023   7.664
    5   1HB   ARG   1          1HB       ARG   1  -5.523  -3.992   6.580
    6   2HB   ARG   1          2HB       ARG   1  -6.207  -2.808   5.496
    7   1HG   ARG   1          1HG       ARG   1  -4.420  -4.152   4.553
    8   2HG   ARG   1          2HG       ARG   1  -4.179  -2.433   4.374
    9   1HD   ARG   1          2HD       ARG   1  -2.884  -3.877   6.726
   10   2HD   ARG   1          1HD       ARG   1  -2.287  -4.178   5.092
   11    HE   ARG   1           HE       ARG   1  -2.387  -1.434   5.207
   12   1HH1  ARG   1          2HH2      ARG   1  -0.427  -4.087   6.497
   13   2HH1  ARG   1          1HH2      ARG   1   0.983  -3.054   6.618
   14   1HH2  ARG   1          2HH1      ARG   1  -0.651  -0.033   6.037
   15   2HH2  ARG   1          1HH1      ARG   1   0.824  -0.857   6.483
   16    H    ASP   2           H        ASP   2  -3.165  -0.354   6.509
   17    HA   ASP   2           HA       ASP   2  -4.357   1.984   5.629
   18   1HB   ASP   2          2HB       ASP   2  -1.948   1.750   5.962
   19   2HB   ASP   2          1HB       ASP   2  -1.844   0.731   4.492
   20    HA   HYP   3           HA       HYP   3  -6.746   0.622   2.021
   21   1HB   HYP   3          1HB       HYP   3  -7.490   2.637   0.930
   22   2HB   HYP   3          2HB       HYP   3  -5.932   3.456   1.261
   23   1HD   HYP   3          1HD       HYP   3  -5.171   3.567   3.844
   24   2HD   HYP   3          2HD       HYP   3  -6.279   2.616   4.885
   25    HOD  HYP   3           HOD      HYP   3  -8.548   2.703   4.291
   26    HG   HYP   3           HG       HYP   3  -7.320   4.265   3.045
   27    H    CYS   4           H        CYS   4  -3.534   2.292   1.529
   28    HA   CYS   4           HA       CYS   4  -3.485   1.611  -1.269
   29   1HB   CYS   4          2HB       CYS   4  -1.276   2.478   0.644
   30   2HB   CYS   4          1HB       CYS   4  -1.045   2.209  -1.114
   31    H    CYS   5           H        CYS   5  -2.746  -0.197   1.683
   32    HA   CYS   5           HA       CYS   5  -0.839  -1.922   0.486
   33   1HB   CYS   5          1HB       CYS   5  -0.789  -1.955   2.561
   34   2HB   CYS   5          2HB       CYS   5  -2.514  -2.375   2.877
   35    H    TYR   6           H        TYR   6  -4.331  -1.737   0.185
   36    HA   TYR   6           HA       TYR   6  -4.594  -4.427  -1.020
   37   1HB   TYR   6          2HB       TYR   6  -6.551  -2.136  -0.659
   38   2HB   TYR   6          1HB       TYR   6  -6.975  -3.783  -1.099
   39    HD1  TYR   6           HD1      TYR   6  -7.337  -1.645   1.504
   40    HD2  TYR   6           HD2      TYR   6  -5.557  -5.504   0.763
   41    HE1  TYR   6           HE1      TYR   6  -7.883  -2.359   3.827
   42    HE2  TYR   6           HE2      TYR   6  -6.054  -6.174   3.105
   43    HH   TYR   6           HH       TYR   6  -7.475  -5.744   4.883
   44    H    HIS   7           H        HIS   7  -3.212  -1.719  -2.253
   45    HA   HIS   7           HA       HIS   7  -4.467  -1.987  -4.961
   46   1HB   HIS   7          2HB       HIS   7  -3.886   0.579  -3.485
   47   2HB   HIS   7          1HB       HIS   7  -4.530   0.425  -5.123
   48    HD1  HIS   7           HD1      HIS   7  -6.649  -1.936  -4.067
   49    HD2  HIS   7           HD2      HIS   7  -6.014   1.903  -2.447
   50    HE1  HIS   7           HE1      HIS   7  -8.805  -1.256  -2.870
   51    HE2  HIS   7           HE2      HIS   7  -8.421   1.075  -1.856
   52    HA   PRO   8           HA       PRO   8  -0.048  -3.075  -5.112
   53   1HB   PRO   8          2HB       PRO   8  -0.734  -2.687  -8.019
   54   2HB   PRO   8          1HB       PRO   8   0.407  -3.858  -7.289
   55   1HG   PRO   8          2HG       PRO   8  -2.123  -4.667  -7.792
   56   2HG   PRO   8          1HG       PRO   8  -1.375  -5.048  -6.215
   57   1HD   PRO   8          1HD       PRO   8  -3.384  -2.922  -6.863
   58   2HD   PRO   8          2HD       PRO   8  -3.256  -3.938  -5.396
   59    H    THR   9           H        THR   9  -0.657  -0.584  -7.636
   60    HA   THR   9           HA       THR   9   1.715   0.678  -7.599
   61    HB   THR   9           HB       THR   9  -0.954   2.153  -7.671
   62    HG1  THR   9           HG1      THR   9  -0.967   1.387  -9.872
   63   1HG2  THR   9          1HG2      THR   9   1.080   3.542  -7.958
   64   2HG2  THR   9          2HG2      THR   9   0.144   3.443  -9.461
   65   3HG2  THR   9          3HG2      THR   9   1.625   2.471  -9.269
   66    H    CYS  10           H        CYS  10  -0.856   1.105  -5.239
   67    HA   CYS  10           HA       CYS  10  -0.083   3.581  -3.953
   68   1HB   CYS  10          1HB       CYS  10  -2.260   2.132  -4.155
   69   2HB   CYS  10          2HB       CYS  10  -1.765   1.447  -2.758
   70    H    ASN  11           H        ASN  11   0.284   0.099  -2.952
   71    HA   ASN  11           HA       ASN  11   2.028   0.998  -0.904
   72   1HB   ASN  11          1HB       ASN  11   1.892  -1.281  -0.064
   73   2HB   ASN  11          2HB       ASN  11   0.382  -0.429  -0.300
   74   1HD2  ASN  11          1HD2      ASN  11   0.792  -3.195   0.053
   75   2HD2  ASN  11          2HD2      ASN  11  -0.375  -3.701  -1.109
   76    H    MET  12           H        MET  12   2.422  -0.546  -3.906
   77    HA   MET  12           HA       MET  12   5.222  -1.209  -3.623
   78   1HB   MET  12          1HB       MET  12   3.622  -0.295  -6.049
   79   2HB   MET  12          2HB       MET  12   5.311  -0.844  -6.101
   80   1HG   MET  12          2HG       MET  12   4.706  -2.992  -5.139
   81   2HG   MET  12          1HG       MET  12   3.044  -2.497  -4.909
   82   1HE   MET  12          1HE       MET  12   5.799  -3.456  -7.497
   83   2HE   MET  12          2HE       MET  12   5.298  -1.896  -8.198
   84   3HE   MET  12          3HE       MET  12   4.924  -3.409  -9.043
   85    H    SER  13           H        SER  13   3.544   1.796  -4.462
   86    HA   SER  13           HA       SER  13   5.940   3.411  -4.496
   87   1HB   SER  13          2HB       SER  13   3.802   4.015  -5.625
   88   2HB   SER  13          1HB       SER  13   3.055   4.251  -4.033
   89    HG   SER  13           HG       SER  13   4.922   5.749  -3.689
   90    H    ASN  14           H        ASN  14   4.563   1.831  -1.823
   91    HA   ASN  14           HA       ASN  14   5.711   3.769   0.097
   92   1HB   ASN  14          1HB       ASN  14   2.803   2.893   0.077
   93   2HB   ASN  14          2HB       ASN  14   3.639   3.549   1.484
   94   1HD2  ASN  14          2HD2      ASN  14   2.298   4.384  -1.655
   95   2HD2  ASN  14          1HD2      ASN  14   2.508   6.123  -1.473
   96    HA   PRO  15           HA       PRO  15   6.433  -0.730   0.939
   97   1HB   PRO  15          2HB       PRO  15   9.057  -0.427   1.843
   98   2HB   PRO  15          1HB       PRO  15   8.586  -0.783   0.152
   99   1HG   PRO  15          2HG       PRO  15   9.249   1.899   1.378
  100   2HG   PRO  15          1HG       PRO  15   9.784   1.249  -0.198
  101   1HD   PRO  15          1HD       PRO  15   7.745   3.003   0.010
  102   2HD   PRO  15          2HD       PRO  15   7.641   1.675  -1.174
  103    H    GLN  16           H        GLN  16   6.980   2.251   2.714
  104    HA   GLN  16           HA       GLN  16   7.310   1.433   5.270
  105   1HB   GLN  16          1HB       GLN  16   6.247   3.524   5.954
  106   2HB   GLN  16          2HB       GLN  16   7.318   3.750   4.564
  107   1HG   GLN  16          1HG       GLN  16   5.310   3.717   3.054
  108   2HG   GLN  16          2HG       GLN  16   4.275   3.618   4.486
  109   1HE2  GLN  16          1HE2      GLN  16   4.468   5.876   2.385
  110   2HE2  GLN  16          2HE2      GLN  16   4.845   7.253   3.386
  111    H    ILE  17           H        ILE  17   4.295   1.119   3.501
  112    HA   ILE  17           HA       ILE  17   2.868   0.448   5.991
  113    HB   ILE  17           HB       ILE  17   0.913   0.113   4.297
  114   1HG1  ILE  17          1HG1      ILE  17   2.615   1.941   2.658
  115   2HG1  ILE  17          2HG1      ILE  17   2.357   0.216   2.313
  116   1HG2  ILE  17          1HG2      ILE  17   2.030   2.869   4.924
  117   2HG2  ILE  17          2HG2      ILE  17   0.337   2.483   4.570
  118   3HG2  ILE  17          3HG2      ILE  17   1.076   1.868   6.043
  119   1HD1  ILE  17          1HD1      ILE  17   0.258   2.396   2.398
  120   2HD1  ILE  17          2HD1      ILE  17   0.860   1.526   0.985
  121   3HD1  ILE  17          3HD1      ILE  17  -0.092   0.654   2.211
  122    H    CYS  18           H        CYS  18   3.803  -1.017   3.197
  123    HA   CYS  18           HA       CYS  18   3.152  -3.776   4.093
  124   1HB   CYS  18          2HB       CYS  18   1.405  -2.102   2.393
  125   2HB   CYS  18          1HB       CYS  18   1.810  -3.638   1.626
  126   1HN   NH2  19          1HN       NH2  19   5.682  -2.339   3.183
  127   2HN   NH2  19          2HN       NH2  19   6.240  -3.392   1.902
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -7.170  -2.529   7.539
    2   2H    ARG   1          2H        ARG   1  -6.474  -3.954   8.067
    3   3H    ARG   1          3H        ARG   1  -6.882  -3.715   6.465
    4    HA   ARG   1           HA       ARG   1  -4.761  -2.301   7.907
    5   1HB   ARG   1          2HB       ARG   1  -3.894  -4.369   7.192
    6   2HB   ARG   1          1HB       ARG   1  -4.821  -4.383   5.727
    7   1HG   ARG   1          1HG       ARG   1  -2.668  -4.070   5.017
    8   2HG   ARG   1          2HG       ARG   1  -3.504  -2.582   4.774
    9   1HD   ARG   1          2HD       ARG   1  -1.615  -1.736   5.778
   10   2HD   ARG   1          1HD       ARG   1  -2.409  -2.139   7.321
   11    HE   ARG   1           HE       ARG   1  -1.039  -4.439   6.564
   12   1HH1  ARG   1          2HH2      ARG   1  -0.177  -1.097   7.395
   13   2HH1  ARG   1          1HH2      ARG   1   1.538  -1.378   7.155
   14   1HH2  ARG   1          1HH1      ARG   1   1.324  -4.791   6.513
   15   2HH2  ARG   1          2HH1      ARG   1   2.338  -3.372   6.671
   16    H    ASP   2           H        ASP   2  -3.627  -0.756   6.448
   17    HA   ASP   2           HA       ASP   2  -4.904   1.397   5.515
   18   1HB   ASP   2          2HB       ASP   2  -2.582   1.485   5.596
   19   2HB   ASP   2          1HB       ASP   2  -2.417  -0.026   4.673
   20    HA   HYP   3           HA       HYP   3  -7.398   0.134   1.918
   21   1HB   HYP   3          1HB       HYP   3  -8.297   2.151   1.052
   22   2HB   HYP   3          2HB       HYP   3  -6.774   3.040   1.333
   23   1HD   HYP   3          1HD       HYP   3  -6.938   1.926   4.946
   24   2HD   HYP   3          2HD       HYP   3  -5.898   2.993   3.950
   25    HOD  HYP   3           HOD      HYP   3  -9.764   2.114   2.998
   26    HG   HYP   3           HG       HYP   3  -8.062   3.693   3.254
   27    H    CYS   4           H        CYS   4  -4.324   2.053   1.606
   28    HA   CYS   4           HA       CYS   4  -4.288   1.594  -1.290
   29   1HB   CYS   4          1HB       CYS   4  -2.753   3.320  -1.402
   30   2HB   CYS   4          2HB       CYS   4  -3.650   3.698   0.075
   31    H    CYS   5           H        CYS   5  -2.520   0.212   1.532
   32    HA   CYS   5           HA       CYS   5  -0.780  -1.668   0.434
   33   1HB   CYS   5          1HB       CYS   5  -1.329  -1.530   2.768
   34   2HB   CYS   5          2HB       CYS   5  -2.942  -2.210   2.496
   35    H    TYR   6           H        TYR   6  -4.340  -1.739   0.272
   36    HA   TYR   6           HA       TYR   6  -4.395  -4.378  -1.042
   37   1HB   TYR   6          2HB       TYR   6  -6.635  -2.388  -0.625
   38   2HB   TYR   6          1HB       TYR   6  -6.800  -4.110  -0.879
   39    HD1  TYR   6           HD1      TYR   6  -7.734  -2.039   1.404
   40    HD2  TYR   6           HD2      TYR   6  -4.724  -5.116   1.163
   41    HE1  TYR   6           HE1      TYR   6  -7.985  -2.496   3.836
   42    HE2  TYR   6           HE2      TYR   6  -5.058  -5.623   3.563
   43    HH   TYR   6           HH       TYR   6  -6.990  -5.617   5.076
   44    H    HIS   7           H        HIS   7  -3.503  -1.506  -2.250
   45    HA   HIS   7           HA       HIS   7  -4.663  -1.926  -4.965
   46   1HB   HIS   7          2HB       HIS   7  -4.241   0.729  -3.566
   47   2HB   HIS   7          1HB       HIS   7  -4.855   0.469  -5.199
   48    HD1  HIS   7           HD1      HIS   7  -6.794  -2.021  -4.031
   49    HD2  HIS   7           HD2      HIS   7  -6.518   1.931  -2.600
   50    HE1  HIS   7           HE1      HIS   7  -8.998  -1.489  -2.858
   51    HE2  HIS   7           HE2      HIS   7  -8.842   0.918  -1.973
   52    HA   PRO   8           HA       PRO   8  -0.307  -2.906  -4.098
   53   1HB   PRO   8          2HB       PRO   8  -0.390  -3.196  -7.102
   54   2HB   PRO   8          1HB       PRO   8   0.542  -4.162  -5.915
   55   1HG   PRO   8          2HG       PRO   8  -1.870  -5.082  -6.748
   56   2HG   PRO   8          1HG       PRO   8  -1.429  -5.147  -5.019
   57   1HD   PRO   8          2HD       PRO   8  -3.294  -3.252  -6.391
   58   2HD   PRO   8          1HD       PRO   8  -3.349  -3.924  -4.736
   59    H    THR   9           H        THR   9  -0.799  -0.899  -7.004
   60    HA   THR   9           HA       THR   9   1.354   0.535  -7.414
   61    HB   THR   9           HB       THR   9  -1.396   1.788  -7.000
   62    HG1  THR   9           HG1      THR   9  -1.753   0.906  -9.134
   63   1HG2  THR   9          1HG2      THR   9   0.782   2.234  -9.089
   64   2HG2  THR   9          2HG2      THR   9   0.408   3.325  -7.736
   65   3HG2  THR   9          3HG2      THR   9  -0.790   3.067  -9.017
   66    H    CYS  10           H        CYS  10  -0.903   1.267  -4.683
   67    HA   CYS  10           HA       CYS  10   0.103   3.642  -3.610
   68   1HB   CYS  10          1HB       CYS  10  -1.713   2.564  -2.868
   69   2HB   CYS  10          2HB       CYS  10  -0.757   1.420  -1.921
   70    H    ASN  11           H        ASN  11   0.902   0.264  -2.931
   71    HA   ASN  11           HA       ASN  11   2.703   1.067  -0.905
   72   1HB   ASN  11          2HB       ASN  11   0.559  -0.709  -1.121
   73   2HB   ASN  11          1HB       ASN  11   1.903  -1.747  -0.772
   74   1HD2  ASN  11          1HD2      ASN  11  -0.343   0.439   0.497
   75   2HD2  ASN  11          2HD2      ASN  11   0.311   0.725   2.046
   76    H    MET  12           H        MET  12   2.773  -0.614  -3.832
   77    HA   MET  12           HA       MET  12   5.592  -1.229  -3.914
   78   1HB   MET  12          2HB       MET  12   3.685  -0.155  -6.051
   79   2HB   MET  12          1HB       MET  12   5.336  -0.740  -6.350
   80   1HG   MET  12          2HG       MET  12   4.741  -2.911  -5.346
   81   2HG   MET  12          1HG       MET  12   3.077  -2.379  -5.122
   82   1HE   MET  12          1HE       MET  12   3.121  -5.147  -8.014
   83   2HE   MET  12          2HE       MET  12   4.447  -5.000  -6.840
   84   3HE   MET  12          3HE       MET  12   2.762  -4.848  -6.297
   85    H    SER  13           H        SER  13   3.735   1.750  -4.470
   86    HA   SER  13           HA       SER  13   6.112   3.391  -4.649
   87   1HB   SER  13          1HB       SER  13   3.852   3.923  -5.686
   88   2HB   SER  13          2HB       SER  13   3.295   4.397  -4.086
   89    HG   SER  13           HG       SER  13   5.253   5.747  -4.016
   90    H    ASN  14           H        ASN  14   4.793   1.898  -1.901
   91    HA   ASN  14           HA       ASN  14   6.131   3.765  -0.048
   92   1HB   ASN  14          1HB       ASN  14   3.153   3.116   0.078
   93   2HB   ASN  14          2HB       ASN  14   4.093   3.749   1.427
   94   1HD2  ASN  14          2HD2      ASN  14   2.736   4.561  -1.695
   95   2HD2  ASN  14          1HD2      ASN  14   2.990   6.302  -1.555
   96    HA   PRO  15           HA       PRO  15   6.309  -0.823   0.764
   97   1HB   PRO  15          2HB       PRO  15   9.012  -0.900   1.496
   98   2HB   PRO  15          1HB       PRO  15   8.379  -1.192  -0.154
   99   1HG   PRO  15          2HG       PRO  15   9.502   1.373   0.987
  100   2HG   PRO  15          1HG       PRO  15   9.824   0.649  -0.614
  101   1HD   PRO  15          1HD       PRO  15   8.070   2.680  -0.294
  102   2HD   PRO  15          2HD       PRO  15   7.692   1.365  -1.437
  103    H    GLN  16           H        GLN  16   7.396   2.019   2.485
  104    HA   GLN  16           HA       GLN  16   7.685   1.189   5.045
  105   1HB   GLN  16          2HB       GLN  16   6.989   3.455   5.692
  106   2HB   GLN  16          1HB       GLN  16   8.066   3.452   4.289
  107   1HG   GLN  16          2HG       GLN  16   6.060   3.706   2.793
  108   2HG   GLN  16          1HG       GLN  16   5.051   3.825   4.244
  109   1HE2  GLN  16          1HE2      GLN  16   5.260   5.960   2.181
  110   2HE2  GLN  16          2HE2      GLN  16   6.009   7.287   3.028
  111    H    ILE  17           H        ILE  17   4.593   1.150   3.366
  112    HA   ILE  17           HA       ILE  17   3.206   0.814   5.970
  113    HB   ILE  17           HB       ILE  17   1.540   0.406   3.614
  114   1HG1  ILE  17          2HG1      ILE  17   2.955   3.004   4.034
  115   2HG1  ILE  17          1HG1      ILE  17   2.740   2.045   2.551
  116   1HG2  ILE  17          1HG2      ILE  17  -0.053   1.640   4.885
  117   2HG2  ILE  17          2HG2      ILE  17   1.200   2.207   6.013
  118   3HG2  ILE  17          3HG2      ILE  17   0.739   0.494   5.950
  119   1HD1  ILE  17          1HD1      ILE  17   0.650   3.696   3.991
  120   2HD1  ILE  17          2HD1      ILE  17   1.343   3.958   2.374
  121   3HD1  ILE  17          3HD1      ILE  17   0.294   2.563   2.673
  122    H    CYS  18           H        CYS  18   3.397  -0.736   3.055
  123    HA   CYS  18           HA       CYS  18   2.882  -3.493   4.108
  124   1HB   CYS  18          2HB       CYS  18   1.039  -1.627   2.824
  125   2HB   CYS  18          1HB       CYS  18   1.342  -2.946   1.715
  126   1HN   NH2  19          1HN       NH2  19   5.372  -2.205   2.816
  127   2HN   NH2  19          2HN       NH2  19   5.665  -3.274   1.458
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -1.703  -0.907   8.836
    2   2H    ARG   1          2H        ARG   1  -3.233  -1.306   8.436
    3   3H    ARG   1          3H        ARG   1  -2.060  -2.496   8.489
    4    HA   ARG   1           HA       ARG   1  -0.996  -1.024   6.650
    5   1HB   ARG   1          1HB       ARG   1  -3.394  -2.869   6.383
    6   2HB   ARG   1          2HB       ARG   1  -2.898  -1.931   4.995
    7   1HG   ARG   1          2HG       ARG   1  -1.943  -3.987   4.745
    8   2HG   ARG   1          1HG       ARG   1  -0.638  -2.856   5.090
    9   1HD   ARG   1          2HD       ARG   1  -0.413  -3.754   7.391
   10   2HD   ARG   1          1HD       ARG   1  -1.910  -4.683   7.168
   11    HE   ARG   1           HE       ARG   1  -0.826  -6.292   5.986
   12   1HH1  ARG   1          1HH2      ARG   1   1.428  -3.491   6.206
   13   2HH1  ARG   1          2HH2      ARG   1   2.774  -4.472   5.711
   14   1HH2  ARG   1          1HH1      ARG   1   1.007  -7.388   5.036
   15   2HH2  ARG   1          2HH1      ARG   1   2.453  -6.453   4.744
   16    H    ASP   2           H        ASP   2  -1.694   0.481   4.955
   17    HA   ASP   2           HA       ASP   2  -4.074   2.137   5.549
   18   1HB   ASP   2          2HB       ASP   2  -1.949   3.274   4.946
   19   2HB   ASP   2          1HB       ASP   2  -1.864   2.318   3.452
   20    HA   HYP   3           HA       HYP   3  -6.363  -0.557   2.757
   21   1HB   HYP   3          1HB       HYP   3  -8.248   0.671   2.936
   22   2HB   HYP   3          2HB       HYP   3  -7.875   1.294   1.305
   23   1HD   HYP   3          1HD       HYP   3  -5.706   3.098   4.353
   24   2HD   HYP   3          2HD       HYP   3  -6.776   1.800   4.924
   25    HOD  HYP   3           HOD      HYP   3  -9.071   3.334   2.810
   26    HG   HYP   3           HG       HYP   3  -6.795   3.240   2.263
   27    H    CYS   4           H        CYS   4  -4.534   2.215   1.417
   28    HA   CYS   4           HA       CYS   4  -4.549   1.361  -1.297
   29   1HB   CYS   4          1HB       CYS   4  -2.936   3.127  -1.628
   30   2HB   CYS   4          2HB       CYS   4  -3.945   3.621  -0.257
   31    H    CYS   5           H        CYS   5  -2.762   0.074   1.488
   32    HA   CYS   5           HA       CYS   5  -0.633  -1.282   0.084
   33   1HB   CYS   5          1HB       CYS   5  -0.131  -1.389   1.828
   34   2HB   CYS   5          2HB       CYS   5  -1.694  -1.579   2.732
   35    H    TYR   6           H        TYR   6  -4.136  -1.862   0.262
   36    HA   TYR   6           HA       TYR   6  -3.924  -4.564  -0.953
   37   1HB   TYR   6          2HB       TYR   6  -6.350  -2.860  -0.383
   38   2HB   TYR   6          1HB       TYR   6  -6.320  -4.595  -0.636
   39    HD1  TYR   6           HD1      TYR   6  -3.952  -5.332   1.176
   40    HD2  TYR   6           HD2      TYR   6  -7.273  -2.645   1.785
   41    HE1  TYR   6           HE1      TYR   6  -3.648  -5.506   3.624
   42    HE2  TYR   6           HE2      TYR   6  -6.962  -2.832   4.238
   43    HH   TYR   6           HH       TYR   6  -5.926  -4.014   5.922
   44    H    HIS   7           H        HIS   7  -3.310  -1.664  -2.207
   45    HA   HIS   7           HA       HIS   7  -4.470  -2.262  -4.883
   46   1HB   HIS   7          1HB       HIS   7  -4.263   0.457  -3.564
   47   2HB   HIS   7          2HB       HIS   7  -4.858   0.102  -5.185
   48    HD1  HIS   7           HD1      HIS   7  -6.590  -2.505  -3.994
   49    HD2  HIS   7           HD2      HIS   7  -6.628   1.461  -2.577
   50    HE1  HIS   7           HE1      HIS   7  -8.849  -2.131  -2.866
   51    HE2  HIS   7           HE2      HIS   7  -8.881   0.283  -1.984
   52    HA   PRO   8           HA       PRO   8   0.045  -2.870  -4.409
   53   1HB   PRO   8          2HB       PRO   8  -0.370  -3.021  -7.386
   54   2HB   PRO   8          1HB       PRO   8   0.808  -3.920  -6.378
   55   1HG   PRO   8          2HG       PRO   8  -1.564  -5.096  -6.938
   56   2HG   PRO   8          1HG       PRO   8  -0.945  -5.123  -5.262
   57   1HD   PRO   8          1HD       PRO   8  -3.089  -3.392  -6.434
   58   2HD   PRO   8          2HD       PRO   8  -2.995  -4.117  -4.802
   59    H    THR   9           H        THR   9  -0.967  -0.779  -7.103
   60    HA   THR   9           HA       THR   9   1.019   0.868  -7.678
   61    HB   THR   9           HB       THR   9  -1.791   1.788  -6.921
   62    HG1  THR   9           HG1      THR   9  -0.939   0.512  -9.300
   63   1HG2  THR   9          1HG2      THR   9  -1.536   3.253  -8.891
   64   2HG2  THR   9          2HG2      THR   9   0.130   2.669  -9.123
   65   3HG2  THR   9          3HG2      THR   9  -0.296   3.599  -7.671
   66    H    CYS  10           H        CYS  10  -0.993   1.259  -4.704
   67    HA   CYS  10           HA       CYS  10  -0.075   3.693  -3.681
   68   1HB   CYS  10          2HB       CYS  10  -1.744   2.216  -2.845
   69   2HB   CYS  10          1HB       CYS  10  -0.566   1.394  -1.881
   70    H    ASN  11           H        ASN  11   0.988   0.402  -3.168
   71    HA   ASN  11           HA       ASN  11   2.830   1.146  -1.166
   72   1HB   ASN  11          1HB       ASN  11   2.330  -1.088  -0.294
   73   2HB   ASN  11          2HB       ASN  11   0.975  -0.096  -0.634
   74   1HD2  ASN  11          1HD2      ASN  11  -0.587  -0.965  -1.615
   75   2HD2  ASN  11          2HD2      ASN  11  -0.573  -2.622  -2.057
   76    H    MET  12           H        MET  12   2.908  -0.328  -4.214
   77    HA   MET  12           HA       MET  12   5.760  -0.898  -4.266
   78   1HB   MET  12          1HB       MET  12   3.964   0.304  -6.430
   79   2HB   MET  12          2HB       MET  12   5.611  -0.326  -6.664
   80   1HG   MET  12          1HG       MET  12   4.780  -2.499  -5.614
   81   2HG   MET  12          2HG       MET  12   3.149  -1.878  -5.786
   82   1HE   MET  12          1HE       MET  12   2.725  -1.671  -9.690
   83   2HE   MET  12          2HE       MET  12   3.254  -0.356  -8.621
   84   3HE   MET  12          3HE       MET  12   1.942  -1.449  -8.112
   85    H    SER  13           H        SER  13   3.830   2.031  -4.644
   86    HA   SER  13           HA       SER  13   6.090   3.858  -4.483
   87   1HB   SER  13          2HB       SER  13   3.080   4.051  -4.688
   88   2HB   SER  13          1HB       SER  13   3.935   5.435  -4.050
   89    HG   SER  13           HG       SER  13   5.250   5.330  -5.978
   90    H    ASN  14           H        ASN  14   5.039   1.934  -1.967
   91    HA   ASN  14           HA       ASN  14   5.884   3.574   0.015
   92   1HB   ASN  14          1HB       ASN  14   2.838   3.098   0.068
   93   2HB   ASN  14          2HB       ASN  14   3.789   3.589   1.465
   94   1HD2  ASN  14          2HD2      ASN  14   2.566   4.694  -1.662
   95   2HD2  ASN  14          1HD2      ASN  14   2.790   6.410  -1.312
   96    HA   PRO  15           HA       PRO  15   6.124  -0.966   0.575
   97   1HB   PRO  15          2HB       PRO  15   8.736   0.169   1.634
   98   2HB   PRO  15          1HB       PRO  15   8.480  -1.376   0.777
   99   1HG   PRO  15          2HG       PRO  15   9.463   0.764  -0.590
  100   2HG   PRO  15          1HG       PRO  15   8.185  -0.251  -1.322
  101   1HD   PRO  15          2HD       PRO  15   7.827   2.436   0.011
  102   2HD   PRO  15          1HD       PRO  15   7.096   1.851  -1.426
  103    H    GLN  16           H        GLN  16   7.038   1.726   2.643
  104    HA   GLN  16           HA       GLN  16   7.184   0.817   5.108
  105   1HB   GLN  16          2HB       GLN  16   6.440   3.009   5.889
  106   2HB   GLN  16          1HB       GLN  16   7.505   3.118   4.481
  107   1HG   GLN  16          1HG       GLN  16   5.480   3.421   3.020
  108   2HG   GLN  16          2HG       GLN  16   4.475   3.445   4.477
  109   1HE2  GLN  16          1HE2      GLN  16   4.812   5.718   2.484
  110   2HE2  GLN  16          2HE2      GLN  16   5.487   6.985   3.470
  111    H    ILE  17           H        ILE  17   4.079   1.062   3.504
  112    HA   ILE  17           HA       ILE  17   2.657   0.505   6.027
  113    HB   ILE  17           HB       ILE  17   0.645   0.467   4.331
  114   1HG1  ILE  17          1HG1      ILE  17   2.605   2.103   2.718
  115   2HG1  ILE  17          2HG1      ILE  17   2.255   0.398   2.402
  116   1HG2  ILE  17          1HG2      ILE  17   0.981   2.208   6.035
  117   2HG2  ILE  17          2HG2      ILE  17   2.114   3.056   4.951
  118   3HG2  ILE  17          3HG2      ILE  17   0.398   2.905   4.518
  119   1HD1  ILE  17          1HD1      ILE  17   0.332   2.719   2.293
  120   2HD1  ILE  17          2HD1      ILE  17   0.937   1.739   0.943
  121   3HD1  ILE  17          3HD1      ILE  17  -0.156   1.006   2.143
  122    H    CYS  18           H        CYS  18   3.856  -1.210   3.529
  123    HA   CYS  18           HA       CYS  18   1.766  -3.357   3.730
  124   1HB   CYS  18          2HB       CYS  18   1.787  -1.624   1.847
  125   2HB   CYS  18          1HB       CYS  18   3.075  -2.502   1.180
  126   1HN   NH2  19          1HN       NH2  19   5.171  -2.815   2.613
  127   2HN   NH2  19          2HN       NH2  19   5.686  -4.455   2.959
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1  -5.604  -1.992   7.221
    2   2H    ARG   1          2H        ARG   1  -5.356  -3.187   6.147
    3   3H    ARG   1          3H        ARG   1  -4.712  -3.327   7.676
    4    HA   ARG   1           HA       ARG   1  -3.021  -1.807   7.264
    5   1HB   ARG   1          1HB       ARG   1  -3.724  -2.289   4.384
    6   2HB   ARG   1          2HB       ARG   1  -2.130  -1.986   5.052
    7   1HG   ARG   1          1HG       ARG   1  -3.743  -4.482   5.110
    8   2HG   ARG   1          2HG       ARG   1  -2.321  -4.223   4.248
    9   1HD   ARG   1          2HD       ARG   1  -2.441  -4.325   7.308
   10   2HD   ARG   1          1HD       ARG   1  -1.973  -5.635   6.208
   11    HE   ARG   1           HE       ARG   1  -0.300  -3.413   5.653
   12   1HH1  ARG   1          2HH2      ARG   1  -0.873  -5.847   8.147
   13   2HH1  ARG   1          1HH2      ARG   1   0.762  -5.872   8.723
   14   1HH2  ARG   1          1HH1      ARG   1   1.925  -3.424   6.425
   15   2HH2  ARG   1          2HH1      ARG   1   2.366  -4.472   7.718
   16    H    ASP   2           H        ASP   2  -2.367  -0.002   5.707
   17    HA   ASP   2           HA       ASP   2  -4.258   2.160   5.488
   18   1HB   ASP   2          2HB       ASP   2  -1.807   2.470   5.472
   19   2HB   ASP   2          1HB       ASP   2  -1.717   1.511   3.965
   20    HA   HYP   3           HA       HYP   3  -6.729   0.760   1.937
   21   1HB   HYP   3          1HB       HYP   3  -7.472   2.731   0.773
   22   2HB   HYP   3          2HB       HYP   3  -5.921   3.568   1.104
   23   1HD   HYP   3          1HD       HYP   3  -5.208   3.762   3.689
   24   2HD   HYP   3          2HD       HYP   3  -6.253   2.761   4.735
   25    HOD  HYP   3           HOD      HYP   3  -8.540   2.812   4.137
   26    HG   HYP   3           HG       HYP   3  -7.342   4.378   2.873
   27    H    CYS   4           H        CYS   4  -3.580   2.464   1.288
   28    HA   CYS   4           HA       CYS   4  -3.420   1.646  -1.399
   29   1HB   CYS   4          2HB       CYS   4  -1.278   2.441   0.612
   30   2HB   CYS   4          1HB       CYS   4  -0.903   2.106  -1.095
   31    H    CYS   5           H        CYS   5  -2.716  -0.269   1.564
   32    HA   CYS   5           HA       CYS   5  -0.918  -2.015   0.245
   33   1HB   CYS   5          1HB       CYS   5  -0.847  -2.084   2.193
   34   2HB   CYS   5          2HB       CYS   5  -2.518  -2.708   2.631
   35    H    TYR   6           H        TYR   6  -4.405  -1.742   0.089
   36    HA   TYR   6           HA       TYR   6  -4.812  -4.403  -1.135
   37   1HB   TYR   6          2HB       TYR   6  -6.729  -2.115  -0.615
   38   2HB   TYR   6          1HB       TYR   6  -7.161  -3.789  -0.940
   39    HD1  TYR   6           HD1      TYR   6  -5.820  -5.518   0.742
   40    HD2  TYR   6           HD2      TYR   6  -6.622  -1.390   1.617
   41    HE1  TYR   6           HE1      TYR   6  -5.405  -5.936   3.160
   42    HE2  TYR   6           HE2      TYR   6  -6.211  -1.828   4.029
   43    HH   TYR   6           HH       TYR   6  -6.358  -5.188   5.220
   44    H    HIS   7           H        HIS   7  -3.478  -1.672  -2.320
   45    HA   HIS   7           HA       HIS   7  -4.650  -1.984  -5.048
   46   1HB   HIS   7          2HB       HIS   7  -4.037   0.640  -3.664
   47   2HB   HIS   7          1HB       HIS   7  -4.704   0.413  -5.284
   48    HD1  HIS   7           HD1      HIS   7  -6.888  -1.815  -4.173
   49    HD2  HIS   7           HD2      HIS   7  -6.079   1.981  -2.535
   50    HE1  HIS   7           HE1      HIS   7  -8.997  -1.061  -2.940
   51    HE2  HIS   7           HE2      HIS   7  -8.509   1.246  -1.917
   52    HA   PRO   8           HA       PRO   8  -0.280  -3.259  -4.425
   53   1HB   PRO   8          2HB       PRO   8  -0.554  -3.256  -7.428
   54   2HB   PRO   8          1HB       PRO   8   0.431  -4.339  -6.396
   55   1HG   PRO   8          2HG       PRO   8  -2.052  -5.135  -7.127
   56   2HG   PRO   8          1HG       PRO   8  -1.504  -5.347  -5.441
   57   1HD   PRO   8          2HD       PRO   8  -3.403  -3.313  -6.538
   58   2HD   PRO   8          1HD       PRO   8  -3.377  -4.100  -4.933
   59    H    THR   9           H        THR   9  -0.358  -1.185  -7.340
   60    HA   THR   9           HA       THR   9   1.963   0.062  -7.252
   61    HB   THR   9           HB       THR   9  -0.663   1.518  -7.758
   62    HG1  THR   9           HG1      THR   9  -0.491   0.430  -9.814
   63   1HG2  THR   9          1HG2      THR   9   0.603   2.526  -9.618
   64   2HG2  THR   9          2HG2      THR   9   1.399   2.857  -8.070
   65   3HG2  THR   9          3HG2      THR   9   2.051   1.602  -9.148
   66    H    CYS  10           H        CYS  10  -0.795   0.937  -5.248
   67    HA   CYS  10           HA       CYS  10  -0.003   3.480  -4.092
   68   1HB   CYS  10          2HB       CYS  10  -2.220   2.144  -4.421
   69   2HB   CYS  10          1HB       CYS  10  -1.819   1.495  -2.888
   70    H    ASN  11           H        ASN  11   0.519   0.078  -3.098
   71    HA   ASN  11           HA       ASN  11   2.037   1.045  -0.877
   72   1HB   ASN  11          1HB       ASN  11   1.811  -1.112   0.057
   73   2HB   ASN  11          2HB       ASN  11   0.293  -0.476  -0.503
   74   1HD2  ASN  11          2HD2      ASN  11  -0.829  -1.701  -1.836
   75   2HD2  ASN  11          1HD2      ASN  11  -0.512  -3.206  -1.169
   76    H    MET  12           H        MET  12   2.571  -0.495  -3.860
   77    HA   MET  12           HA       MET  12   5.397  -1.039  -3.509
   78   1HB   MET  12          1HB       MET  12   3.914  -0.049  -5.987
   79   2HB   MET  12          2HB       MET  12   5.576  -0.667  -5.951
   80   1HG   MET  12          1HG       MET  12   4.769  -2.779  -4.968
   81   2HG   MET  12          2HG       MET  12   3.107  -2.221  -5.072
   82   1HE   MET  12          1HE       MET  12   2.777  -4.644  -6.161
   83   2HE   MET  12          2HE       MET  12   3.439  -5.116  -7.744
   84   3HE   MET  12          3HE       MET  12   4.513  -4.984  -6.334
   85    H    SER  13           H        SER  13   3.557   1.867  -4.257
   86    HA   SER  13           HA       SER  13   5.817   3.692  -4.072
   87   1HB   SER  13          2HB       SER  13   2.812   4.175  -3.980
   88   2HB   SER  13          1HB       SER  13   4.066   5.397  -4.251
   89    HG   SER  13           HG       SER  13   3.364   3.192  -5.893
   90    H    ASN  14           H        ASN  14   4.870   1.868  -1.584
   91    HA   ASN  14           HA       ASN  14   5.591   3.678   0.314
   92   1HB   ASN  14          1HB       ASN  14   2.690   2.722   0.558
   93   2HB   ASN  14          2HB       ASN  14   3.653   3.420   1.877
   94   1HD2  ASN  14          1HD2      ASN  14   1.799   4.208  -1.003
   95   2HD2  ASN  14          2HD2      ASN  14   1.724   5.915  -0.596
   96    HA   PRO  15           HA       PRO  15   6.778  -0.744   0.859
   97   1HB   PRO  15          2HB       PRO  15   9.087   0.994   1.755
   98   2HB   PRO  15          1HB       PRO  15   9.152  -0.597   0.948
   99   1HG   PRO  15          1HG       PRO  15   9.562   1.650  -0.517
  100   2HG   PRO  15          2HG       PRO  15   8.497   0.362  -1.158
  101   1HD   PRO  15          2HD       PRO  15   7.636   2.923   0.196
  102   2HD   PRO  15          1HD       PRO  15   6.989   2.208  -1.223
  103    H    GLN  16           H        GLN  16   7.134   2.180   2.802
  104    HA   GLN  16           HA       GLN  16   7.441   1.296   5.323
  105   1HB   GLN  16          1HB       GLN  16   6.291   3.351   6.065
  106   2HB   GLN  16          2HB       GLN  16   7.490   3.617   4.791
  107   1HG   GLN  16          2HG       GLN  16   5.728   3.810   3.099
  108   2HG   GLN  16          1HG       GLN  16   4.481   3.473   4.318
  109   1HE2  GLN  16          1HE2      GLN  16   4.345   5.880   2.760
  110   2HE2  GLN  16          2HE2      GLN  16   4.720   7.189   3.853
  111    H    ILE  17           H        ILE  17   4.387   1.105   3.602
  112    HA   ILE  17           HA       ILE  17   3.052   0.103   6.062
  113    HB   ILE  17           HB       ILE  17   1.011  -0.044   4.550
  114   1HG1  ILE  17          1HG1      ILE  17   2.600   1.917   2.909
  115   2HG1  ILE  17          2HG1      ILE  17   2.218   0.280   2.383
  116   1HG2  ILE  17          1HG2      ILE  17   1.320   1.600   6.358
  117   2HG2  ILE  17          2HG2      ILE  17   0.472   2.320   4.990
  118   3HG2  ILE  17          3HG2      ILE  17   2.192   2.675   5.237
  119   1HD1  ILE  17          1HD1      ILE  17   0.249   2.515   2.798
  120   2HD1  ILE  17          2HD1      ILE  17   0.760   1.735   1.296
  121   3HD1  ILE  17          3HD1      ILE  17  -0.176   0.802   2.475
  122    H    CYS  18           H        CYS  18   3.733  -0.753   2.958
  123    HA   CYS  18           HA       CYS  18   3.375  -3.675   3.316
  124   1HB   CYS  18          1HB       CYS  18   1.161  -3.028   3.337
  125   2HB   CYS  18          2HB       CYS  18   1.342  -1.815   2.083
  126   1HN   NH2  19          1HN       NH2  19   4.024  -0.916   1.056
  127   2HN   NH2  19          2HN       NH2  19   4.892  -1.910  -0.070
  Start of MODEL   18
    1   1H    ARG   1          1H        ARG   1  -3.689  -0.931   9.129
    2   2H    ARG   1          2H        ARG   1  -3.630  -2.570   8.853
    3   3H    ARG   1          3H        ARG   1  -4.852  -1.615   8.218
    4    HA   ARG   1           HA       ARG   1  -2.141  -1.045   7.435
    5   1HB   ARG   1          1HB       ARG   1  -3.577  -3.478   6.753
    6   2HB   ARG   1          2HB       ARG   1  -3.689  -2.397   5.382
    7   1HG   ARG   1          2HG       ARG   1  -1.870  -3.811   5.062
    8   2HG   ARG   1          1HG       ARG   1  -1.248  -2.171   5.328
    9   1HD   ARG   1          1HD       ARG   1  -0.771  -2.798   7.734
   10   2HD   ARG   1          2HD       ARG   1  -1.282  -4.440   7.392
   11    HE   ARG   1           HE       ARG   1   1.125  -2.970   6.313
   12   1HH1  ARG   1          2HH2      ARG   1  -0.475  -6.124   6.650
   13   2HH1  ARG   1          1HH2      ARG   1   0.986  -7.017   6.377
   14   1HH2  ARG   1          2HH1      ARG   1   2.939  -4.080   5.895
   15   2HH2  ARG   1          1HH1      ARG   1   3.011  -5.827   5.914
   16    H    ASP   2           H        ASP   2  -2.246   0.385   5.520
   17    HA   ASP   2           HA       ASP   2  -4.618   2.067   5.511
   18   1HB   ASP   2          2HB       ASP   2  -2.338   2.986   5.235
   19   2HB   ASP   2          1HB       ASP   2  -2.185   2.081   3.709
   20    HA   HYP   3           HA       HYP   3  -6.860  -0.370   2.408
   21   1HB   HYP   3          1HB       HYP   3  -8.490   1.073   1.425
   22   2HB   HYP   3          2HB       HYP   3  -7.353   2.455   1.412
   23   1HD   HYP   3          1HD       HYP   3  -6.761   1.853   5.099
   24   2HD   HYP   3          2HD       HYP   3  -6.311   3.096   3.893
   25    HOD  HYP   3           HOD      HYP   3  -9.639   0.778   3.558
   26    HG   HYP   3           HG       HYP   3  -8.619   2.873   3.428
   27    H    CYS   4           H        CYS   4  -4.642   2.280   1.426
   28    HA   CYS   4           HA       CYS   4  -4.427   1.681  -1.308
   29   1HB   CYS   4          1HB       CYS   4  -2.638   3.221  -1.311
   30   2HB   CYS   4          2HB       CYS   4  -3.610   3.706   0.085
   31    H    CYS   5           H        CYS   5  -2.901   0.052   1.488
   32    HA   CYS   5           HA       CYS   5  -0.810  -1.357   0.140
   33   1HB   CYS   5          1HB       CYS   5  -0.631  -1.576   2.229
   34   2HB   CYS   5          2HB       CYS   5  -2.341  -1.933   2.625
   35    H    TYR   6           H        TYR   6  -4.331  -1.825   0.231
   36    HA   TYR   6           HA       TYR   6  -4.201  -4.457  -1.135
   37   1HB   TYR   6          2HB       TYR   6  -6.561  -2.776  -0.290
   38   2HB   TYR   6          1HB       TYR   6  -6.575  -4.492  -0.657
   39    HD1  TYR   6           HD1      TYR   6  -4.092  -5.390   0.904
   40    HD2  TYR   6           HD2      TYR   6  -7.224  -2.619   1.974
   41    HE1  TYR   6           HE1      TYR   6  -3.569  -5.712   3.312
   42    HE2  TYR   6           HE2      TYR   6  -6.674  -2.962   4.383
   43    HH   TYR   6           HH       TYR   6  -5.824  -4.607   5.815
   44    H    HIS   7           H        HIS   7  -3.530  -1.597  -2.262
   45    HA   HIS   7           HA       HIS   7  -4.727  -2.013  -4.948
   46   1HB   HIS   7          1HB       HIS   7  -4.346   0.642  -3.526
   47   2HB   HIS   7          2HB       HIS   7  -4.973   0.387  -5.150
   48    HD1  HIS   7           HD1      HIS   7  -6.885  -2.127  -4.054
   49    HD2  HIS   7           HD2      HIS   7  -6.585   1.725  -2.391
   50    HE1  HIS   7           HE1      HIS   7  -9.086  -1.655  -2.854
   51    HE2  HIS   7           HE2      HIS   7  -8.913   0.693  -1.824
   52    HA   PRO   8           HA       PRO   8  -0.302  -2.759  -4.176
   53   1HB   PRO   8          2HB       PRO   8  -0.414  -3.158  -7.160
   54   2HB   PRO   8          1HB       PRO   8   0.573  -4.046  -5.955
   55   1HG   PRO   8          2HG       PRO   8  -1.798  -5.111  -6.719
   56   2HG   PRO   8          1HG       PRO   8  -1.357  -5.067  -4.987
   57   1HD   PRO   8          1HD       PRO   8  -3.256  -3.284  -6.472
   58   2HD   PRO   8          2HD       PRO   8  -3.366  -3.923  -4.807
   59    H    THR   9           H        THR   9  -1.125  -0.686  -6.950
   60    HA   THR   9           HA       THR   9   1.046   0.783  -7.493
   61    HB   THR   9           HB       THR   9  -1.708   1.927  -6.820
   62    HG1  THR   9           HG1      THR   9  -0.887   0.564  -9.164
   63   1HG2  THR   9          1HG2      THR   9   0.339   2.657  -8.962
   64   2HG2  THR   9          2HG2      THR   9  -0.055   3.614  -7.517
   65   3HG2  THR   9          3HG2      THR   9  -1.282   3.373  -8.775
   66    H    CYS  10           H        CYS  10  -0.986   1.212  -4.536
   67    HA   CYS  10           HA       CYS  10   0.129   3.512  -3.398
   68   1HB   CYS  10          2HB       CYS  10  -1.637   2.117  -2.551
   69   2HB   CYS  10          1HB       CYS  10  -0.532   1.111  -1.739
   70    H    ASN  11           H        ASN  11   1.000   0.101  -3.005
   71    HA   ASN  11           HA       ASN  11   2.843   0.806  -0.986
   72   1HB   ASN  11          1HB       ASN  11   2.166  -1.172   0.049
   73   2HB   ASN  11          2HB       ASN  11   0.828  -0.458  -0.726
   74   1HD2  ASN  11          1HD2      ASN  11   0.509  -2.783   0.092
   75   2HD2  ASN  11          2HD2      ASN  11  -0.100  -3.555  -1.295
   76    H    MET  12           H        MET  12   2.883  -0.705  -4.002
   77    HA   MET  12           HA       MET  12   5.702  -1.262  -4.191
   78   1HB   MET  12          1HB       MET  12   3.778   0.030  -6.193
   79   2HB   MET  12          2HB       MET  12   5.415  -0.549  -6.572
   80   1HG   MET  12          1HG       MET  12   4.784  -2.799  -5.758
   81   2HG   MET  12          2HG       MET  12   3.132  -2.256  -5.485
   82   1HE   MET  12          1HE       MET  12   2.671  -4.557  -6.898
   83   2HE   MET  12          2HE       MET  12   4.365  -4.757  -7.396
   84   3HE   MET  12          3HE       MET  12   3.076  -4.731  -8.620
   85    H    SER  13           H        SER  13   3.819   1.730  -4.354
   86    HA   SER  13           HA       SER  13   6.205   3.423  -4.384
   87   1HB   SER  13          2HB       SER  13   3.898   3.925  -5.494
   88   2HB   SER  13          1HB       SER  13   3.359   4.399  -3.895
   89    HG   SER  13           HG       SER  13   5.258   5.744  -3.771
   90    H    ASN  14           H        ASN  14   5.199   1.612  -1.824
   91    HA   ASN  14           HA       ASN  14   5.880   3.381   0.158
   92   1HB   ASN  14          1HB       ASN  14   2.889   2.739   0.010
   93   2HB   ASN  14          2HB       ASN  14   3.704   3.182   1.499
   94   1HD2  ASN  14          2HD2      ASN  14   2.710   4.387  -1.634
   95   2HD2  ASN  14          1HD2      ASN  14   2.879   6.097  -1.233
   96    HA   PRO  15           HA       PRO  15   6.878  -0.962   1.252
   97   1HB   PRO  15          2HB       PRO  15   8.997   0.980   2.181
   98   2HB   PRO  15          1HB       PRO  15   9.199  -0.718   1.666
   99   1HG   PRO  15          2HG       PRO  15   9.789   1.256  -0.096
  100   2HG   PRO  15          1HG       PRO  15   8.806  -0.135  -0.646
  101   1HD   PRO  15          2HD       PRO  15   7.819   2.588   0.201
  102   2HD   PRO  15          1HD       PRO  15   7.326   1.701  -1.181
  103    H    GLN  16           H        GLN  16   6.957   2.215   2.736
  104    HA   GLN  16           HA       GLN  16   6.767   2.244   5.298
  105   1HB   GLN  16          2HB       GLN  16   6.277   4.129   3.886
  106   2HB   GLN  16          1HB       GLN  16   4.724   3.429   3.408
  107   1HG   GLN  16          1HG       GLN  16   3.809   3.747   5.630
  108   2HG   GLN  16          2HG       GLN  16   5.402   4.193   6.260
  109   1HE2  GLN  16          1HE2      GLN  16   4.181   5.474   3.066
  110   2HE2  GLN  16          2HE2      GLN  16   4.007   7.080   3.706
  111    H    ILE  17           H        ILE  17   3.818   1.264   3.590
  112    HA   ILE  17           HA       ILE  17   2.798   0.092   6.110
  113    HB   ILE  17           HB       ILE  17   0.764  -0.451   4.619
  114   1HG1  ILE  17          2HG1      ILE  17   2.076   0.406   2.516
  115   2HG1  ILE  17          1HG1      ILE  17   0.339   0.585   2.701
  116   1HG2  ILE  17          1HG2      ILE  17  -0.245   1.714   5.175
  117   2HG2  ILE  17          2HG2      ILE  17   0.682   1.023   6.514
  118   3HG2  ILE  17          3HG2      ILE  17   1.370   2.361   5.571
  119   1HD1  ILE  17          1HD1      ILE  17   2.317   2.784   3.354
  120   2HD1  ILE  17          2HD1      ILE  17   1.417   2.599   1.828
  121   3HD1  ILE  17          3HD1      ILE  17   0.540   2.899   3.329
  122    H    CYS  18           H        CYS  18   3.680  -0.755   3.064
  123    HA   CYS  18           HA       CYS  18   3.406  -3.699   3.436
  124   1HB   CYS  18          2HB       CYS  18   1.475  -1.900   1.975
  125   2HB   CYS  18          1HB       CYS  18   1.852  -3.504   1.296
  126   1HN   NH2  19          1HN       NH2  19   4.110  -1.029   1.066
  127   2HN   NH2  19          2HN       NH2  19   5.192  -2.012   0.121
  Start of MODEL   19
    1   1H    ARG   1          1H        ARG   1  -6.394  -0.595   8.748
    2   2H    ARG   1          2H        ARG   1  -7.201  -1.245   7.481
    3   3H    ARG   1          3H        ARG   1  -6.460  -2.243   8.593
    4    HA   ARG   1           HA       ARG   1  -4.328  -1.230   7.885
    5   1HB   ARG   1          1HB       ARG   1  -5.310  -3.459   6.934
    6   2HB   ARG   1          2HB       ARG   1  -5.848  -2.460   5.592
    7   1HG   ARG   1          1HG       ARG   1  -3.832  -3.634   5.006
    8   2HG   ARG   1          2HG       ARG   1  -3.543  -1.939   4.991
    9   1HD   ARG   1          1HD       ARG   1  -2.392  -2.158   7.233
   10   2HD   ARG   1          2HD       ARG   1  -2.949  -3.817   7.360
   11    HE   ARG   1           HE       ARG   1  -1.539  -4.452   5.496
   12   1HH1  ARG   1          1HH1      ARG   1  -0.616  -1.225   6.657
   13   2HH1  ARG   1          2HH1      ARG   1   1.093  -1.606   6.635
   14   1HH2  ARG   1          1HH2      ARG   1   0.760  -4.852   5.441
   15   2HH2  ARG   1          2HH2      ARG   1   1.823  -3.516   5.846
   16    H    ASP   2           H        ASP   2  -3.408   0.402   6.699
   17    HA   ASP   2           HA       ASP   2  -4.280   2.527   5.193
   18   1HB   ASP   2          1HB       ASP   2  -2.104   1.850   3.888
   19   2HB   ASP   2          2HB       ASP   2  -2.035   2.373   5.577
   20    HA   HYP   3           HA       HYP   3  -6.777  -0.301   2.691
   21   1HB   HYP   3          1HB       HYP   3  -8.613   0.909   1.838
   22   2HB   HYP   3          2HB       HYP   3  -7.577   2.259   1.295
   23   1HD   HYP   3          1HD       HYP   3  -6.415   2.631   4.896
   24   2HD   HYP   3          2HD       HYP   3  -6.121   3.427   3.322
   25    HOD  HYP   3           HOD      HYP   3  -7.843   0.637   4.574
   26    HG   HYP   3           HG       HYP   3  -8.525   3.137   3.322
   27    H    CYS   4           H        CYS   4  -4.792   2.246   1.307
   28    HA   CYS   4           HA       CYS   4  -4.667   1.400  -1.368
   29   1HB   CYS   4          1HB       CYS   4  -2.931   3.066  -1.562
   30   2HB   CYS   4          2HB       CYS   4  -3.999   3.605  -0.264
   31    H    CYS   5           H        CYS   5  -3.017   0.022   1.500
   32    HA   CYS   5           HA       CYS   5  -0.944  -1.458   0.254
   33   1HB   CYS   5          1HB       CYS   5  -0.843  -1.610   2.342
   34   2HB   CYS   5          2HB       CYS   5  -2.579  -1.863   2.701
   35    H    TYR   6           H        TYR   6  -4.461  -1.871   0.100
   36    HA   TYR   6           HA       TYR   6  -4.281  -4.577  -1.099
   37   1HB   TYR   6          2HB       TYR   6  -6.644  -2.737  -0.696
   38   2HB   TYR   6          1HB       TYR   6  -6.700  -4.470  -0.960
   39    HD1  TYR   6           HD1      TYR   6  -7.667  -2.452   1.425
   40    HD2  TYR   6           HD2      TYR   6  -4.412  -5.259   1.015
   41    HE1  TYR   6           HE1      TYR   6  -7.634  -2.823   3.893
   42    HE2  TYR   6           HE2      TYR   6  -4.391  -5.557   3.483
   43    HH   TYR   6           HH       TYR   6  -7.305  -4.734   5.350
   44    H    HIS   7           H        HIS   7  -3.421  -1.750  -2.339
   45    HA   HIS   7           HA       HIS   7  -4.437  -2.293  -5.081
   46   1HB   HIS   7          2HB       HIS   7  -4.251   0.407  -3.717
   47   2HB   HIS   7          1HB       HIS   7  -4.714   0.098  -5.388
   48    HD1  HIS   7           HD1      HIS   7  -6.621  -2.476  -4.361
   49    HD2  HIS   7           HD2      HIS   7  -6.665   1.497  -2.967
   50    HE1  HIS   7           HE1      HIS   7  -8.965  -2.024  -3.457
   51    HE2  HIS   7           HE2      HIS   7  -9.004   0.395  -2.588
   52    HA   PRO   8           HA       PRO   8   0.076  -2.943  -4.600
   53   1HB   PRO   8          2HB       PRO   8  -0.330  -2.874  -7.581
   54   2HB   PRO   8          1HB       PRO   8   0.826  -3.863  -6.638
   55   1HG   PRO   8          2HG       PRO   8  -1.551  -4.959  -7.309
   56   2HG   PRO   8          1HG       PRO   8  -0.934  -5.137  -5.642
   57   1HD   PRO   8          2HD       PRO   8  -3.077  -3.308  -6.653
   58   2HD   PRO   8          1HD       PRO   8  -2.951  -4.157  -5.083
   59    H    THR   9           H        THR   9  -1.005  -0.565  -7.009
   60    HA   THR   9           HA       THR   9   1.391   0.799  -7.332
   61    HB   THR   9           HB       THR   9  -0.640   1.110  -8.714
   62    HG1  THR   9           HG1      THR   9   0.714   3.348  -7.659
   63   1HG2  THR   9          1HG2      THR   9  -2.297   1.393  -6.843
   64   2HG2  THR   9          2HG2      THR   9  -2.367   2.676  -8.070
   65   3HG2  THR   9          3HG2      THR   9  -1.594   2.993  -6.509
   66    H    CYS  10           H        CYS  10  -0.849   1.057  -4.553
   67    HA   CYS  10           HA       CYS  10  -0.004   3.530  -3.452
   68   1HB   CYS  10          2HB       CYS  10  -1.744   2.023  -2.681
   69   2HB   CYS  10          1HB       CYS  10  -0.637   1.185  -1.700
   70    H    ASN  11           H        ASN  11   0.861   0.231  -2.797
   71    HA   ASN  11           HA       ASN  11   2.688   0.968  -0.793
   72   1HB   ASN  11          1HB       ASN  11   2.056  -1.280   0.082
   73   2HB   ASN  11          2HB       ASN  11   0.778  -0.176  -0.249
   74   1HD2  ASN  11          1HD2      ASN  11   0.978  -3.030   0.003
   75   2HD2  ASN  11          2HD2      ASN  11  -0.252  -3.453  -1.169
   76    H    MET  12           H        MET  12   2.779  -0.657  -3.775
   77    HA   MET  12           HA       MET  12   5.619  -1.280  -3.734
   78   1HB   MET  12          1HB       MET  12   3.810  -0.351  -6.018
   79   2HB   MET  12          2HB       MET  12   5.477  -0.939  -6.193
   80   1HG   MET  12          1HG       MET  12   4.835  -3.041  -5.053
   81   2HG   MET  12          2HG       MET  12   3.157  -2.518  -5.001
   82   1HE   MET  12          1HE       MET  12   4.551  -5.278  -6.330
   83   2HE   MET  12          2HE       MET  12   3.353  -5.495  -7.625
   84   3HE   MET  12          3HE       MET  12   2.826  -5.013  -5.995
   85    H    SER  13           H        SER  13   3.713   1.653  -4.266
   86    HA   SER  13           HA       SER  13   6.082   3.344  -4.512
   87   1HB   SER  13          2HB       SER  13   3.813   3.816  -5.603
   88   2HB   SER  13          1HB       SER  13   3.222   4.302  -4.026
   89    HG   SER  13           HG       SER  13   5.133   5.690  -3.922
   90    H    ASN  14           H        ASN  14   5.131   1.742  -1.778
   91    HA   ASN  14           HA       ASN  14   6.099   3.585  -0.008
   92   1HB   ASN  14          1HB       ASN  14   3.071   3.068   0.191
   93   2HB   ASN  14          2HB       ASN  14   4.042   3.680   1.530
   94   1HD2  ASN  14          2HD2      ASN  14   2.682   4.514  -1.606
   95   2HD2  ASN  14          1HD2      ASN  14   2.960   6.247  -1.461
   96    HA   PRO  15           HA       PRO  15   6.576  -0.909   0.812
   97   1HB   PRO  15          2HB       PRO  15   9.162   0.442   1.641
   98   2HB   PRO  15          1HB       PRO  15   8.955  -1.181   0.924
   99   1HG   PRO  15          1HG       PRO  15   9.728   0.883  -0.664
  100   2HG   PRO  15          2HG       PRO  15   8.463  -0.247  -1.234
  101   1HD   PRO  15          2HD       PRO  15   8.040   2.510  -0.075
  102   2HD   PRO  15          1HD       PRO  15   7.260   1.788  -1.420
  103    H    GLN  16           H        GLN  16   7.313   2.001   2.645
  104    HA   GLN  16           HA       GLN  16   7.528   1.222   5.204
  105   1HB   GLN  16          2HB       GLN  16   6.574   3.409   5.828
  106   2HB   GLN  16          1HB       GLN  16   7.791   3.503   4.549
  107   1HG   GLN  16          2HG       GLN  16   6.077   3.784   2.842
  108   2HG   GLN  16          1HG       GLN  16   4.783   3.570   4.039
  109   1HE2  GLN  16          1HE2      GLN  16   5.019   5.962   2.331
  110   2HE2  GLN  16          2HE2      GLN  16   5.390   7.260   3.438
  111    H    ILE  17           H        ILE  17   4.480   1.114   3.463
  112    HA   ILE  17           HA       ILE  17   3.045   0.520   6.000
  113    HB   ILE  17           HB       ILE  17   1.127   0.104   4.299
  114   1HG1  ILE  17          1HG1      ILE  17   2.731   2.127   2.742
  115   2HG1  ILE  17          2HG1      ILE  17   2.436   0.443   2.265
  116   1HG2  ILE  17          1HG2      ILE  17   1.951   2.916   5.052
  117   2HG2  ILE  17          2HG2      ILE  17   0.310   2.352   4.671
  118   3HG2  ILE  17          3HG2      ILE  17   1.107   1.752   6.114
  119   1HD1  ILE  17          1HD1      ILE  17  -0.001   0.892   2.284
  120   2HD1  ILE  17          2HD1      ILE  17   0.942   1.781   1.064
  121   3HD1  ILE  17          3HD1      ILE  17   0.378   2.624   2.513
  122    H    CYS  18           H        CYS  18   3.611  -0.798   3.035
  123    HA   CYS  18           HA       CYS  18   3.054  -3.622   3.778
  124   1HB   CYS  18          1HB       CYS  18   0.898  -2.451   3.679
  125   2HB   CYS  18          2HB       CYS  18   1.264  -1.854   2.090
  126   1HN   NH2  19          1HN       NH2  19   5.465  -2.443   2.745
  127   2HN   NH2  19          2HN       NH2  19   5.667  -3.119   1.138
  Start of MODEL   20
    1   1H    ARG   1          1H        ARG   1  -6.971  -1.582   7.596
    2   2H    ARG   1          2H        ARG   1  -6.264  -2.700   8.618
    3   3H    ARG   1          3H        ARG   1  -6.194  -1.068   8.931
    4    HA   ARG   1           HA       ARG   1  -4.118  -1.465   7.991
    5   1HB   ARG   1          1HB       ARG   1  -4.962  -3.788   7.073
    6   2HB   ARG   1          2HB       ARG   1  -5.520  -2.831   5.718
    7   1HG   ARG   1          1HG       ARG   1  -3.465  -3.878   5.174
    8   2HG   ARG   1          2HG       ARG   1  -3.202  -2.192   5.166
    9   1HD   ARG   1          1HD       ARG   1  -2.634  -3.989   7.617
   10   2HD   ARG   1          2HD       ARG   1  -1.532  -3.925   6.246
   11    HE   ARG   1           HE       ARG   1  -2.170  -1.346   7.576
   12   1HH1  ARG   1          2HH1      ARG   1   0.225  -3.992   7.360
   13   2HH1  ARG   1          1HH1      ARG   1   1.553  -2.847   7.380
   14   1HH2  ARG   1          1HH2      ARG   1  -0.328   0.010   8.006
   15   2HH2  ARG   1          2HH2      ARG   1   1.248  -0.714   7.795
   16    H    ASP   2           H        ASP   2  -3.238  -0.154   6.139
   17    HA   ASP   2           HA       ASP   2  -4.951   2.005   5.306
   18   1HB   ASP   2          2HB       ASP   2  -2.594   2.352   5.644
   19   2HB   ASP   2          1HB       ASP   2  -2.193   1.164   4.398
   20    HA   HYP   3           HA       HYP   3  -6.969  -0.459   2.014
   21   1HB   HYP   3          1HB       HYP   3  -8.389   1.111   0.890
   22   2HB   HYP   3          2HB       HYP   3  -7.177   2.419   1.059
   23   1HD   HYP   3          1HD       HYP   3  -6.367   2.976   3.535
   24   2HD   HYP   3          2HD       HYP   3  -7.062   1.858   4.744
   25    HOD  HYP   3           HOD      HYP   3  -9.249   1.107   4.311
   26    HG   HYP   3           HG       HYP   3  -8.677   2.877   2.878
   27    H    CYS   4           H        CYS   4  -4.506   2.118   1.454
   28    HA   CYS   4           HA       CYS   4  -4.197   1.612  -1.336
   29   1HB   CYS   4          1HB       CYS   4  -2.684   3.379  -1.270
   30   2HB   CYS   4          2HB       CYS   4  -3.472   3.614   0.298
   31    H    CYS   5           H        CYS   5  -2.757   0.068   1.543
   32    HA   CYS   5           HA       CYS   5  -0.595  -1.475   0.389
   33   1HB   CYS   5          2HB       CYS   5  -2.476  -2.602   2.459
   34   2HB   CYS   5          1HB       CYS   5  -0.758  -2.867   2.014
   35    H    TYR   6           H        TYR   6  -4.118  -1.885   0.234
   36    HA   TYR   6           HA       TYR   6  -3.901  -4.533  -1.081
   37   1HB   TYR   6          2HB       TYR   6  -6.314  -2.830  -0.418
   38   2HB   TYR   6          1HB       TYR   6  -6.319  -4.543  -0.785
   39    HD1  TYR   6           HD1      TYR   6  -7.310  -2.794   1.731
   40    HD2  TYR   6           HD2      TYR   6  -3.877  -5.317   1.027
   41    HE1  TYR   6           HE1      TYR   6  -7.195  -3.357   4.157
   42    HE2  TYR   6           HE2      TYR   6  -3.773  -5.818   3.455
   43    HH   TYR   6           HH       TYR   6  -5.245  -6.146   5.265
   44    H    HIS   7           H        HIS   7  -3.303  -1.603  -2.242
   45    HA   HIS   7           HA       HIS   7  -4.600  -2.052  -4.893
   46   1HB   HIS   7          1HB       HIS   7  -4.284   0.597  -3.466
   47   2HB   HIS   7          2HB       HIS   7  -4.985   0.317  -5.059
   48    HD1  HIS   7           HD1      HIS   7  -6.662  -2.326  -3.848
   49    HD2  HIS   7           HD2      HIS   7  -6.581   1.603  -2.332
   50    HE1  HIS   7           HE1      HIS   7  -8.836  -1.971  -2.555
   51    HE2  HIS   7           HE2      HIS   7  -8.800   0.422  -1.622
   52    HA   PRO   8           HA       PRO   8  -0.104  -2.623  -4.709
   53   1HB   PRO   8          2HB       PRO   8  -0.605  -2.758  -7.680
   54   2HB   PRO   8          1HB       PRO   8   0.566  -3.703  -6.706
   55   1HG   PRO   8          2HG       PRO   8  -1.851  -4.797  -7.271
   56   2HG   PRO   8          1HG       PRO   8  -1.181  -4.913  -5.619
   57   1HD   PRO   8          2HD       PRO   8  -3.343  -3.096  -6.626
   58   2HD   PRO   8          1HD       PRO   8  -3.162  -3.897  -5.038
   59    H    THR   9           H        THR   9  -1.382  -0.363  -7.138
   60    HA   THR   9           HA       THR   9   1.030   0.958  -7.634
   61    HB   THR   9           HB       THR   9  -1.025   1.147  -9.026
   62    HG1  THR   9           HG1      THR   9   0.304   3.480  -8.153
   63   1HG2  THR   9          1HG2      THR   9  -2.656   1.560  -7.151
   64   2HG2  THR   9          2HG2      THR   9  -2.757   2.750  -8.465
   65   3HG2  THR   9          3HG2      THR   9  -1.959   3.182  -6.947
   66    H    CYS  10           H        CYS  10  -1.082   1.341  -4.823
   67    HA   CYS  10           HA       CYS  10  -0.035   3.792  -3.683
   68   1HB   CYS  10          1HB       CYS  10  -1.810   2.653  -2.857
   69   2HB   CYS  10          2HB       CYS  10  -0.785   1.376  -2.220
   70    H    ASN  11           H        ASN  11   0.672   0.355  -3.373
   71    HA   ASN  11           HA       ASN  11   2.507   1.038  -1.381
   72   1HB   ASN  11          2HB       ASN  11   0.406  -0.426  -1.330
   73   2HB   ASN  11          1HB       ASN  11   1.410  -1.767  -1.763
   74   1HD2  ASN  11          2HD2      ASN  11   0.516   0.582   0.597
   75   2HD2  ASN  11          1HD2      ASN  11   1.261  -0.245   1.926
   76    H    MET  12           H        MET  12   2.713  -0.419  -4.419
   77    HA   MET  12           HA       MET  12   5.466  -1.164  -4.498
   78   1HB   MET  12          2HB       MET  12   5.363  -0.671  -6.811
   79   2HB   MET  12          1HB       MET  12   3.720  -1.192  -6.408
   80   1HG   MET  12          1HG       MET  12   3.023   1.171  -6.318
   81   2HG   MET  12          2HG       MET  12   4.666   1.678  -6.736
   82   1HE   MET  12          1HE       MET  12   2.596   2.944  -8.395
   83   2HE   MET  12          2HE       MET  12   3.090   2.618 -10.070
   84   3HE   MET  12          3HE       MET  12   4.310   3.049  -8.851
   85    H    SER  13           H        SER  13   3.801   1.929  -4.250
   86    HA   SER  13           HA       SER  13   6.256   3.528  -4.345
   87   1HB   SER  13          2HB       SER  13   3.637   3.993  -5.202
   88   2HB   SER  13          1HB       SER  13   3.647   4.829  -3.660
   89    HG   SER  13           HG       SER  13   5.545   5.919  -4.329
   90    H    ASN  14           H        ASN  14   5.079   1.625  -1.922
   91    HA   ASN  14           HA       ASN  14   5.996   3.172   0.131
   92   1HB   ASN  14          2HB       ASN  14   2.958   2.651   0.168
   93   2HB   ASN  14          1HB       ASN  14   3.902   3.199   1.559
   94   1HD2  ASN  14          1HD2      ASN  14   2.583   4.185  -1.592
   95   2HD2  ASN  14          2HD2      ASN  14   2.588   5.894  -1.157
   96    HA   PRO  15           HA       PRO  15   6.294  -1.331   0.906
   97   1HB   PRO  15          1HB       PRO  15   8.911  -0.006   1.703
   98   2HB   PRO  15          2HB       PRO  15   8.680  -1.635   1.043
   99   1HG   PRO  15          1HG       PRO  15   9.567   0.391  -0.572
  100   2HG   PRO  15          2HG       PRO  15   8.283  -0.698  -1.180
  101   1HD   PRO  15          2HD       PRO  15   7.895   2.075  -0.001
  102   2HD   PRO  15          1HD       PRO  15   7.156   1.416  -1.397
  103    H    GLN  16           H        GLN  16   7.344   1.615   2.499
  104    HA   GLN  16           HA       GLN  16   7.695   0.958   5.020
  105   1HB   GLN  16          1HB       GLN  16   7.172   3.295   5.615
  106   2HB   GLN  16          2HB       GLN  16   8.121   3.156   4.128
  107   1HG   GLN  16          2HG       GLN  16   6.059   3.482   2.775
  108   2HG   GLN  16          1HG       GLN  16   5.117   3.649   4.269
  109   1HE2  GLN  16          1HE2      GLN  16   5.108   5.743   2.303
  110   2HE2  GLN  16          2HE2      GLN  16   5.994   7.075   3.006
  111    H    ILE  17           H        ILE  17   4.489   0.964   3.682
  112    HA   ILE  17           HA       ILE  17   3.279   0.968   6.364
  113    HB   ILE  17           HB       ILE  17   1.365   0.289   4.335
  114   1HG1  ILE  17          2HG1      ILE  17   3.007   2.708   3.669
  115   2HG1  ILE  17          1HG1      ILE  17   2.680   1.252   2.710
  116   1HG2  ILE  17          1HG2      ILE  17   0.094   2.088   5.215
  117   2HG2  ILE  17          2HG2      ILE  17   0.933   1.342   6.570
  118   3HG2  ILE  17          3HG2      ILE  17   1.542   2.870   5.895
  119   1HD1  ILE  17          1HD1      ILE  17   1.318   2.981   1.830
  120   2HD1  ILE  17          2HD1      ILE  17   0.717   3.434   3.431
  121   3HD1  ILE  17          3HD1      ILE  17   0.255   1.864   2.721
  122    H    CYS  18           H        CYS  18   4.026  -1.080   3.867
  123    HA   CYS  18           HA       CYS  18   2.700  -3.490   5.001
  124   1HB   CYS  18          2HB       CYS  18   1.589  -1.867   2.648
  125   2HB   CYS  18          1HB       CYS  18   1.347  -3.620   2.793
  126   1HN   NH2  19          1HN       NH2  19   4.979  -3.765   1.583
  127   2HN   NH2  19          2HN       NH2  19   3.799  -2.473   1.682