*HEADER    ANTIMICROBIAL PROTEIN                   06-APR-06   2GMC              
*TITLE     STRUCTURE OF C12-LF11 BOUND TO THE DPC MICELLES                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOFERRIN-BASED SYNTHETIC PEPTIDE C12-LF11;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    HELIX                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.JAPELJ                                                              
*REVDAT   1   13-FEB-07 2GMC    0                                                


!BIOSYM restraint 1
!
!c12lf11_mod.rstrnt: 158 restraints [created by nmr2s ((C) PP)] Sat Jul  6 16:39:32 2002
!
!
#NOE_distance
1:PHM_1:HN         1:PHM_1:H12         1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H2*         1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H3*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:GLN_2:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:GLN_2:HG*         1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:TRP_3:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:GLN_4:HE21        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:GLN_4:HE22        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HB1        1:GLN_2:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HB1        1:GLN_2:HG*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HB*        1:GLN_4:HN          1.900  5.870  5.870 10.00 10.00 1000.000  0.00
1:PHM_1:HB2        1:GLN_2:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HB2        1:GLN_2:HG*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HD*        1:PHM_1:H3*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:PHM_1:HD*        1:GLN_2:HN          1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:H2*        1:TRP_3:HD1         1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:PHM_1:H3*        1:TRP_3:HE3         1.900  4.880  4.880 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_2:HB1         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_2:HB2         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_2:HG*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:TRP_3:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:TRP_3:HA          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:TRP_3:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_2:HA         1:TRP_3:HD1         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_2:HA         1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_2:HB*        1:TRP_3:HN          1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:GLN_2:HB*        1:TRP_3:HA          1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HN          1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HA          1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HB*         1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HD1         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HE3         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HZ3         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HH2         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:TRP_3:HB*         1.900  3.760  3.760 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:TRP_3:HD1         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:TRP_3:HE3         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:GLN_4:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:TRP_3:HD1         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:TRP_3:HE3         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:ARG+_5:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:ASN_6:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:TRP_3:HE1         1.900  5.150  5.150 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:TRP_3:HZ3         1.900  5.690  5.690 10.00 10.00 1000.000  0.00
1:TRP_3:HB1        1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:ARG+_5:HN         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:ASN_6:HB*         1.900  6.750  6.750 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:ILE_7:HD1*        1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:LYS+_9:HG*        1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:TRP_3:HB2        1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HD1        1:ASN_6:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HD1        1:ILE_7:HG2*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HD1        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:GLN_4:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:GLN_4:HA          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:GLN_4:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:ILE_7:HG2*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:ILE_7:HG1*        1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HE3        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ3        1:GLN_4:HA          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ3        1:GLN_4:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HZ3        1:ILE_7:HG2*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ3        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HH2        1:ILE_7:HG2*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HH2        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ2        1:ILE_7:HG2*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ2        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HB*         1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HG*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:ARG+_5:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HA         1:ARG+_5:HN         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_4:HB1        1:GLN_4:HE21        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HB1        1:GLN_4:HE22        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HB*        1:ILE_7:HD1*        1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:GLN_4:HB2        1:GLN_4:HE21        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HB2        1:GLN_4:HE22        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HG*        1:ARG+_5:HN         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE2*       1:ARG+_5:HN         1.900  5.870  5.870 10.00 10.00 1000.000  0.00
1:GLN_4:HE21       1:ARG+_5:HB1        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE21       1:ARG+_5:HB2        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE21       1:ARG+_5:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE22       1:ARG+_5:HB1        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE22       1:ARG+_5:HB2        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE22       1:ARG+_5:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ARG+_5:HB*        1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ARG+_5:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ARG+_5:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ARG+_5:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ASN_6:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ASN_6:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ASN_6:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ASN_6:HB*         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ARG+_5:HB1       1:ARG+_5:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_5:HB*       1:ASN_6:HN          1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ARG+_5:HB*       1:ASN_6:HA          1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ARG+_5:HB*       1:ASN_6:HD2*        1.900  6.740  6.740 10.00 10.00 1000.000  0.00
1:ARG+_5:HB2       1:ARG+_5:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HB*         1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HD2*        1.900  5.870  5.870 10.00 10.00 1000.000  0.00
1:ASN_6:HN         1:ILE_7:HA          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:ASN_6:HD21        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:ASN_6:HD22        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:ILE_7:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:ARG+_8:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:LYS+_9:HB*        1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ASN_6:HB*        1:ILE_7:HA          1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ASN_6:HB*        1:ILE_7:HG2*        1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HG11        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HG12        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ARG+_8:HN         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ARG+_8:HA         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HA         1:ILE_7:HG1*        1.900  3.800  3.800 10.00 10.00 1000.000  0.00
1:ILE_7:HA         1:ARG+_8:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HA         1:VAL_10:HG1*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HA         1:VAL_10:HG2*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HB         1:ILE_7:HG1*        1.900  2.640  2.640 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:ARG+_8:HN         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:ARG+_8:HA         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:ARG+_8:HG*        1.900  7.000  7.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:VAL_10:HN         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:VAL_10:HB         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG11       1:ARG+_8:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG12       1:ARG+_8:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HD1*       1:ARG+_8:HN         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HD1*       1:VAL_10:HB         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HB*        1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:LYS+_9:HN         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:LYS+_9:HA         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:VAL_10:HG*        1.900  7.560  7.560 10.00 10.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HB1       1:ARG+_8:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_11:HA        1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ARG+_8:HB2       1:ARG+_8:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HG*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HE*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:LYS+_9:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:LYS+_9:HE*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HB1       1:LYS+_9:HE*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HB2       1:LYS+_9:HE*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:VAL_10:HN        1:ARG+_11:HN        1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_10:HA        1:ARG+_11:HN        1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_10:HG1*      1:ARG+_11:HN        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:VAL_10:HG2*      1:ARG+_11:HN        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HB1       1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HB2       1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HG*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HA       1:ARG+_11:HD*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HB*      1:ARG+_11:HE        1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:ARG+_11:HB1      1:CTER_12:HN1       1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_11:HB2      1:CTER_12:HN1       1.900  5.000  5.000 10.00 10.00 1000.000  0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1   2.166  -0.050   0.602
    2    HA   PHE   1           HA       PHE   1   1.959   0.855  -2.219
    3   1HB   PHE   1          1HB       PHE   1   4.434   0.812  -2.087
    4   2HB   PHE   1          2HB       PHE   1   3.732   1.843  -0.874
    5    HD1  PHE   1           HD1      PHE   1   3.975   1.335   1.556
    6    HD2  PHE   1           HD2      PHE   1   5.664  -1.295  -1.398
    7    HE1  PHE   1           HE1      PHE   1   5.317   0.231   3.298
    8    HE2  PHE   1           HE2      PHE   1   7.010  -2.384   0.356
    9    HZ   PHE   1           HZ       PHE   1   6.835  -1.627   2.704
   10    H    GLN   2           H        GLN   2   2.004  -2.125  -0.531
   11    HA   GLN   2           HA       GLN   2   3.288  -3.802  -2.651
   12   1HB   GLN   2          1HB       GLN   2   2.433  -5.685  -1.178
   13   2HB   GLN   2          2HB       GLN   2   3.679  -4.656  -0.521
   14   1HG   GLN   2          1HG       GLN   2   2.078  -3.473   0.946
   15   2HG   GLN   2          2HG       GLN   2   0.704  -4.271   0.208
   16   1HE2  GLN   2          1HE2      GLN   2   3.555  -4.793   2.282
   17   2HE2  GLN   2          2HE2      GLN   2   2.844  -6.315   3.039
   18    H    TRP   3           H        TRP   3   0.028  -2.680  -1.931
   19    HA   TRP   3           HA       TRP   3  -0.824  -3.719  -4.577
   20   1HB   TRP   3          1HB       TRP   3  -2.839  -5.047  -3.607
   21   2HB   TRP   3          2HB       TRP   3  -1.252  -5.752  -3.659
   22    HD1  TRP   3           HD1      TRP   3  -0.601  -7.067  -1.656
   23    HE1  TRP   3           HE1      TRP   3  -1.173  -7.261   0.920
   24    HE3  TRP   3           HE3      TRP   3  -3.569  -2.972  -1.417
   25    HZ2  TRP   3           HZ2      TRP   3  -3.000  -5.876   2.601
   26    HZ3  TRP   3           HZ3      TRP   3  -4.589  -2.366   0.703
   27    HH2  TRP   3           HH2      TRP   3  -4.331  -3.795   2.712
   28    H    GLN   4           H        GLN   4  -0.853  -1.034  -3.213
   29    HA   GLN   4           HA       GLN   4  -3.440  -0.109  -2.846
   30   1HB   GLN   4          1HB       GLN   4  -2.699   2.076  -3.022
   31   2HB   GLN   4          2HB       GLN   4  -1.322   1.178  -2.475
   32   1HG   GLN   4          1HG       GLN   4  -1.790   2.462  -5.238
   33   2HG   GLN   4          2HG       GLN   4  -0.659   2.955  -4.009
   34   1HE2  GLN   4          1HE2      GLN   4  -1.249   0.673  -6.439
   35   2HE2  GLN   4          2HE2      GLN   4   0.451   0.013  -6.570
   36    H    ARG   5           H        ARG   5  -2.482  -1.062  -5.910
   37    HA   ARG   5           HA       ARG   5  -5.287  -0.625  -6.868
   38   1HB   ARG   5          1HB       ARG   5  -2.793   0.360  -8.370
   39   2HB   ARG   5          2HB       ARG   5  -4.045  -0.283  -9.332
   40   1HG   ARG   5          1HG       ARG   5  -4.462   2.051  -7.339
   41   2HG   ARG   5          2HG       ARG   5  -4.067   2.226  -9.032
   42   1HD   ARG   5          1HD       ARG   5  -6.396   2.576  -9.096
   43   2HD   ARG   5          2HD       ARG   5  -6.242   0.928  -9.621
   44    HE   ARG   5           HE       ARG   5  -7.195   0.106  -7.525
   45   1HH1  ARG   5          1HH1      ARG   5  -6.772   3.546  -7.329
   46   2HH1  ARG   5          2HH1      ARG   5  -7.742   3.651  -5.781
   47   1HH2  ARG   5          1HH2      ARG   5  -8.288   0.256  -5.778
   48   2HH2  ARG   5          2HH2      ARG   5  -8.538   1.860  -4.958
   49    H    ASN   6           H        ASN   6  -3.871  -2.988  -5.769
   50    HA   ASN   6           HA       ASN   6  -4.711  -4.944  -7.973
   51   1HB   ASN   6          1HB       ASN   6  -1.887  -4.898  -6.723
   52   2HB   ASN   6          2HB       ASN   6  -2.547  -6.295  -7.522
   53   1HD2  ASN   6          1HD2      ASN   6  -0.879  -3.405  -8.128
   54   2HD2  ASN   6          2HD2      ASN   6  -1.007  -3.538  -9.960
   55    H    ILE   7           H        ILE   7  -6.426  -4.838  -6.123
   56    HA   ILE   7           HA       ILE   7  -5.885  -7.329  -4.425
   57    HB   ILE   7           HB       ILE   7  -8.396  -6.222  -3.526
   58   1HG1  ILE   7          1HG1      ILE   7  -7.533  -3.961  -4.242
   59   2HG1  ILE   7          2HG1      ILE   7  -8.123  -4.177  -2.612
   60   1HG2  ILE   7          1HG2      ILE   7  -7.320  -6.394  -1.295
   61   2HG2  ILE   7          2HG2      ILE   7  -7.002  -7.843  -2.283
   62   3HG2  ILE   7          3HG2      ILE   7  -5.732  -6.625  -2.058
   63   1HD1  ILE   7          1HD1      ILE   7  -5.102  -4.267  -3.229
   64   2HD1  ILE   7          2HD1      ILE   7  -5.956  -2.770  -2.763
   65   3HD1  ILE   7          3HD1      ILE   7  -5.883  -4.149  -1.647
   66    H    ARG   8           H        ARG   8  -7.761  -6.432  -7.127
   67    HA   ARG   8           HA       ARG   8  -9.756  -8.657  -6.660
   68   1HB   ARG   8          1HB       ARG   8  -9.680  -7.197  -9.310
   69   2HB   ARG   8          2HB       ARG   8 -10.958  -8.106  -8.544
   70   1HG   ARG   8          1HG       ARG   8 -10.538  -5.942  -6.705
   71   2HG   ARG   8          2HG       ARG   8 -10.174  -5.223  -8.247
   72   1HD   ARG   8          1HD       ARG   8 -12.458  -4.756  -8.230
   73   2HD   ARG   8          2HD       ARG   8 -12.541  -6.302  -9.018
   74    HE   ARG   8           HE       ARG   8 -13.517  -7.305  -7.021
   75   1HH1  ARG   8          1HH1      ARG   8 -12.361  -4.122  -6.241
   76   2HH1  ARG   8          2HH1      ARG   8 -13.230  -4.112  -4.630
   77   1HH2  ARG   8          1HH2      ARG   8 -14.497  -7.263  -5.186
   78   2HH2  ARG   8          2HH2      ARG   8 -14.367  -5.823  -4.082
   79    H    LYS   9           H        LYS   9  -6.946  -8.057  -8.766
   80    HA   LYS   9           HA       LYS   9  -6.796 -10.874  -9.689
   81   1HB   LYS   9          1HB       LYS   9  -4.524 -10.474 -10.395
   82   2HB   LYS   9          2HB       LYS   9  -5.614  -9.283 -11.047
   83   1HG   LYS   9          1HG       LYS   9  -4.647  -7.464  -9.824
   84   2HG   LYS   9          2HG       LYS   9  -4.120  -8.475  -8.510
   85   1HD   LYS   9          1HD       LYS   9  -2.128  -7.842  -9.532
   86   2HD   LYS   9          2HD       LYS   9  -2.332  -9.529  -9.969
   87   1HE   LYS   9          1HE       LYS   9  -3.194  -8.811 -12.281
   88   2HE   LYS   9          2HE       LYS   9  -3.049  -7.112 -11.802
   89   1HZ   LYS   9          1HZ       LYS   9  -0.719  -9.043 -11.852
   90   2HZ   LYS   9          2HZ       LYS   9  -0.992  -7.895 -12.999
   91   3HZ   LYS   9          3HZ       LYS   9  -0.619  -7.455 -11.460
   92    H    VAL  10           H        VAL  10  -5.456  -9.220  -6.820
   93    HA   VAL  10           HA       VAL  10  -4.316 -11.880  -5.793
   94    HB   VAL  10           HB       VAL  10  -4.005  -9.094  -4.545
   95   1HG1  VAL  10          1HG1      VAL  10  -3.733 -10.981  -2.872
   96   2HG1  VAL  10          2HG1      VAL  10  -2.491 -11.722  -3.903
   97   3HG1  VAL  10          3HG1      VAL  10  -2.210 -10.133  -3.151
   98   1HG2  VAL  10          1HG2      VAL  10  -1.605  -9.150  -5.305
   99   2HG2  VAL  10          2HG2      VAL  10  -1.910 -10.650  -6.220
  100   3HG2  VAL  10          3HG2      VAL  10  -2.701  -9.127  -6.687
  101    H    ARG  11           H        ARG  11  -6.656 -12.428  -5.953
  102    HA   ARG  11           HA       ARG  11  -8.614 -11.142  -4.262
  103   1HB   ARG  11          1HB       ARG  11  -8.957 -12.299  -6.473
  104   2HB   ARG  11          2HB       ARG  11  -8.917 -13.855  -5.693
  105   1HG   ARG  11          1HG       ARG  11 -10.887 -11.698  -4.699
  106   2HG   ARG  11          2HG       ARG  11 -11.220 -12.446  -6.230
  107   1HD   ARG  11          1HD       ARG  11 -10.815 -14.097  -3.637
  108   2HD   ARG  11          2HD       ARG  11 -12.378 -13.441  -4.138
  109    HE   ARG  11           HE       ARG  11 -11.335 -14.883  -6.431
  110   1HH1  ARG  11          1HH1      ARG  11 -12.447 -15.655  -3.229
  111   2HH1  ARG  11          2HH1      ARG  11 -13.050 -17.302  -3.750
  112   1HH2  ARG  11          1HH2      ARG  11 -12.044 -16.750  -6.997
  113   2HH2  ARG  11          2HH2      ARG  11 -12.821 -17.872  -5.794
  114   1HN   NH2  12          1HN       NH2  12  -7.801 -14.410  -1.904
  115   2HN   NH2  12          2HN       NH2  12  -7.006 -14.321  -3.559
  116   1H2   DAO  13          1H2       DAO  13  -0.009   0.569   1.860
  117   2H2   DAO  13          2H2       DAO  13  -1.430   0.899   0.883
  118   1H3   DAO  13          1H3       DAO  13  -2.015  -0.798   2.591
  119   2H3   DAO  13          2H3       DAO  13  -2.121  -1.468   0.983
  120   1H4   DAO  13          1H4       DAO  13  -0.904  -3.204   1.678
  121   2H4   DAO  13          2H4       DAO  13   0.505  -2.183   1.631
  122   1H5   DAO  13          1H5       DAO  13   0.158  -3.584   3.703
  123   2H5   DAO  13          2H5       DAO  13  -1.228  -2.608   4.149
  124   1H6   DAO  13          1H6       DAO  13   1.574  -1.360   3.695
  125   2H6   DAO  13          2H6       DAO  13   0.186  -0.604   4.478
  126   1H7   DAO  13          1H7       DAO  13   0.315  -2.458   6.301
  127   2H7   DAO  13          2H7       DAO  13   1.734  -3.085   5.485
  128   1H8   DAO  13          1H8       DAO  13   2.604  -1.837   7.271
  129   2H8   DAO  13          2H8       DAO  13   2.912  -0.822   5.873
  130   1H9   DAO  13          1H9       DAO  13   0.426  -0.459   7.673
  131   2H9   DAO  13          2H9       DAO  13   1.011   0.684   6.475
  132   1H10  DAO  13          1H10      DAO  13   1.483   1.275   8.913
  133   2H10  DAO  13          2H10      DAO  13   2.517  -0.135   9.058
  134   1H11  DAO  13          1H11      DAO  13   4.056   0.847   7.256
  135   2H11  DAO  13          2H11      DAO  13   3.001   2.257   7.146
  136   1H12  DAO  13          1H12      DAO  13   3.462   2.789   9.605
  137   2H12  DAO  13          2H12      DAO  13   4.533   1.367   9.699
  138   3H12  DAO  13          3H12      DAO  13   4.961   2.736   8.648
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1   2.069  -0.131   0.693
    2    HA   PHE   1           HA       PHE   1   1.903   0.813  -2.118
    3   1HB   PHE   1          1HB       PHE   1   4.367   0.877  -1.954
    4   2HB   PHE   1          2HB       PHE   1   3.594   1.879  -0.759
    5    HD1  PHE   1           HD1      PHE   1   5.620  -1.229  -1.225
    6    HD2  PHE   1           HD2      PHE   1   3.906   1.465   1.657
    7    HE1  PHE   1           HE1      PHE   1   6.981  -2.253   0.556
    8    HE2  PHE   1           HE2      PHE   1   5.270   0.431   3.425
    9    HZ   PHE   1           HZ       PHE   1   6.805  -1.429   2.881
   10    H    GLN   2           H        GLN   2   1.954  -2.141  -0.487
   11    HA   GLN   2           HA       GLN   2   3.334  -3.868  -2.495
   12   1HB   GLN   2          1HB       GLN   2   2.304  -5.685  -1.071
   13   2HB   GLN   2          2HB       GLN   2   3.489  -4.672  -0.291
   14   1HG   GLN   2          1HG       GLN   2   1.793  -3.446   0.993
   15   2HG   GLN   2          2HG       GLN   2   0.470  -4.159   0.094
   16   1HE2  GLN   2          1HE2      GLN   2   1.694  -4.298   3.044
   17   2HE2  GLN   2          2HE2      GLN   2   1.424  -6.089   3.377
   18    H    TRP   3           H        TRP   3   0.046  -2.696  -1.969
   19    HA   TRP   3           HA       TRP   3  -0.722  -3.706  -4.651
   20   1HB   TRP   3          1HB       TRP   3  -2.747  -5.067  -3.729
   21   2HB   TRP   3          2HB       TRP   3  -1.154  -5.756  -3.771
   22    HD1  TRP   3           HD1      TRP   3  -0.652  -7.200  -1.847
   23    HE1  TRP   3           HE1      TRP   3  -1.395  -7.585   0.678
   24    HE3  TRP   3           HE3      TRP   3  -3.450  -2.994  -1.444
   25    HZ2  TRP   3           HZ2      TRP   3  -3.254  -6.219   2.359
   26    HZ3  TRP   3           HZ3      TRP   3  -4.727  -2.586   0.587
   27    HH2  TRP   3           HH2      TRP   3  -4.623  -4.162   2.500
   28    H    GLN   4           H        GLN   4  -0.788  -1.057  -3.274
   29    HA   GLN   4           HA       GLN   4  -3.396  -0.195  -2.813
   30   1HB   GLN   4          1HB       GLN   4  -2.690   2.006  -2.873
   31   2HB   GLN   4          2HB       GLN   4  -1.303   1.096  -2.373
   32   1HG   GLN   4          1HG       GLN   4  -1.782   2.519  -5.068
   33   2HG   GLN   4          2HG       GLN   4  -0.661   2.965  -3.810
   34   1HE2  GLN   4          1HE2      GLN   4  -1.190   0.848  -6.399
   35   2HE2  GLN   4          2HE2      GLN   4   0.509   0.172  -6.504
   36    H    ARG   5           H        ARG   5  -2.464  -0.974  -5.929
   37    HA   ARG   5           HA       ARG   5  -5.298  -0.437  -6.836
   38   1HB   ARG   5          1HB       ARG   5  -2.785   0.569  -8.255
   39   2HB   ARG   5          2HB       ARG   5  -3.916  -0.169  -9.294
   40   1HG   ARG   5          1HG       ARG   5  -4.583   2.202  -7.406
   41   2HG   ARG   5          2HG       ARG   5  -4.125   2.322  -9.083
   42   1HD   ARG   5          1HD       ARG   5  -6.427   2.515  -9.311
   43   2HD   ARG   5          2HD       ARG   5  -6.187   0.799  -9.662
   44    HE   ARG   5           HE       ARG   5  -6.731   1.395  -6.750
   45   1HH1  ARG   5          1HH1      ARG   5  -8.287   0.727  -9.790
   46   2HH1  ARG   5          2HH1      ARG   5  -9.798   0.101  -8.972
   47   1HH2  ARG   5          1HH2      ARG   5  -8.457   0.692  -5.852
   48   2HH2  ARG   5          2HH2      ARG   5  -9.870   0.101  -6.836
   49    H    ASN   6           H        ASN   6  -3.910  -2.887  -5.807
   50    HA   ASN   6           HA       ASN   6  -4.811  -4.781  -8.051
   51   1HB   ASN   6          1HB       ASN   6  -1.966  -4.691  -6.844
   52   2HB   ASN   6          2HB       ASN   6  -2.603  -6.107  -7.629
   53   1HD2  ASN   6          1HD2      ASN   6  -1.140  -3.082  -8.292
   54   2HD2  ASN   6          2HD2      ASN   6  -1.271  -3.276 -10.118
   55    H    ILE   7           H        ILE   7  -6.505  -4.797  -6.212
   56    HA   ILE   7           HA       ILE   7  -5.838  -7.205  -4.455
   57    HB   ILE   7           HB       ILE   7  -8.428  -6.129  -3.657
   58   1HG1  ILE   7          1HG1      ILE   7  -7.551  -3.880  -4.308
   59   2HG1  ILE   7          2HG1      ILE   7  -8.094  -4.095  -2.660
   60   1HG2  ILE   7          1HG2      ILE   7  -5.806  -6.574  -2.113
   61   2HG2  ILE   7          2HG2      ILE   7  -7.409  -6.331  -1.386
   62   3HG2  ILE   7          3HG2      ILE   7  -7.080  -7.780  -2.374
   63   1HD1  ILE   7          1HD1      ILE   7  -5.900  -2.729  -2.888
   64   2HD1  ILE   7          2HD1      ILE   7  -5.833  -4.110  -1.771
   65   3HD1  ILE   7          3HD1      ILE   7  -5.096  -4.248  -3.372
   66    H    ARG   8           H        ARG   8  -7.914  -6.418  -7.114
   67    HA   ARG   8           HA       ARG   8  -9.612  -8.875  -6.609
   68   1HB   ARG   8          1HB       ARG   8  -9.849  -6.868  -8.908
   69   2HB   ARG   8          2HB       ARG   8 -10.846  -8.299  -8.683
   70   1HG   ARG   8          1HG       ARG   8 -11.558  -7.409  -6.372
   71   2HG   ARG   8          2HG       ARG   8 -10.680  -5.923  -6.722
   72   1HD   ARG   8          1HD       ARG   8 -12.175  -5.546  -8.768
   73   2HD   ARG   8          2HD       ARG   8 -13.066  -7.031  -8.352
   74    HE   ARG   8           HE       ARG   8 -12.933  -5.257  -5.987
   75   1HH1  ARG   8          1HH1      ARG   8 -14.631  -5.525  -9.011
   76   2HH1  ARG   8          2HH1      ARG   8 -16.046  -4.551  -8.384
   77   1HH2  ARG   8          1HH2      ARG   8 -14.545  -4.146  -5.313
   78   2HH2  ARG   8          2HH2      ARG   8 -15.975  -3.812  -6.386
   79    H    LYS   9           H        LYS   9  -6.785  -8.078  -8.526
   80    HA   LYS   9           HA       LYS   9  -6.725 -10.853  -9.646
   81   1HB   LYS   9          1HB       LYS   9  -4.624 -10.584 -10.506
   82   2HB   LYS   9          2HB       LYS   9  -5.529  -9.169 -10.938
   83   1HG   LYS   9          1HG       LYS   9  -4.127  -7.689  -9.765
   84   2HG   LYS   9          2HG       LYS   9  -3.814  -8.809  -8.453
   85   1HD   LYS   9          1HD       LYS   9  -2.349 -10.220  -9.986
   86   2HD   LYS   9          2HD       LYS   9  -2.587  -9.038 -11.278
   87   1HE   LYS   9          1HE       LYS   9  -1.521  -7.241  -9.859
   88   2HE   LYS   9          2HE       LYS   9  -1.352  -8.369  -8.507
   89   1HZ   LYS   9          1HZ       LYS   9  -0.046  -8.734 -11.213
   90   2HZ   LYS   9          2HZ       LYS   9   0.750  -8.273  -9.850
   91   3HZ   LYS   9          3HZ       LYS   9   0.112  -9.784  -9.965
   92    H    VAL  10           H        VAL  10  -5.556  -9.356  -6.667
   93    HA   VAL  10           HA       VAL  10  -4.391 -12.036  -5.719
   94    HB   VAL  10           HB       VAL  10  -4.260  -9.322  -4.291
   95   1HG1  VAL  10          1HG1      VAL  10  -2.531 -10.429  -2.822
   96   2HG1  VAL  10          2HG1      VAL  10  -4.084 -11.253  -2.686
   97   3HG1  VAL  10          3HG1      VAL  10  -2.785 -11.977  -3.660
   98   1HG2  VAL  10          1HG2      VAL  10  -1.801  -9.294  -4.843
   99   2HG2  VAL  10          2HG2      VAL  10  -1.999 -10.743  -5.865
  100   3HG2  VAL  10          3HG2      VAL  10  -2.783  -9.206  -6.307
  101    H    ARG  11           H        ARG  11  -6.695 -12.635  -6.102
  102    HA   ARG  11           HA       ARG  11  -8.809 -11.442  -4.511
  103   1HB   ARG  11          1HB       ARG  11  -8.838 -12.488  -6.884
  104   2HB   ARG  11          2HB       ARG  11  -9.075 -14.043  -6.143
  105   1HG   ARG  11          1HG       ARG  11 -10.933 -11.588  -5.714
  106   2HG   ARG  11          2HG       ARG  11 -11.112 -12.721  -7.044
  107   1HD   ARG  11          1HD       ARG  11 -11.448 -14.632  -5.397
  108   2HD   ARG  11          2HD       ARG  11 -11.373 -13.469  -4.055
  109    HE   ARG  11           HE       ARG  11 -13.357 -12.432  -5.890
  110   1HH1  ARG  11          1HH1      ARG  11 -13.006 -15.224  -3.851
  111   2HH1  ARG  11          2HH1      ARG  11 -14.817 -15.408  -3.655
  112   1HH2  ARG  11          1HH2      ARG  11 -15.405 -12.658  -5.644
  113   2HH2  ARG  11          2HH2      ARG  11 -16.092 -14.004  -4.630
  114   1HN   NH2  12          1HN       NH2  12  -8.279 -14.931  -2.410
  115   2HN   NH2  12          2HN       NH2  12  -7.394 -14.758  -4.011
  116   1H2   DAO  13          1H2       DAO  13  -0.443   0.667   1.677
  117   2H2   DAO  13          2H2       DAO  13  -1.768   0.650   0.524
  118   1H3   DAO  13          1H3       DAO  13  -2.457  -0.866   2.263
  119   2H3   DAO  13          2H3       DAO  13  -2.039  -1.851   0.891
  120   1H4   DAO  13          1H4       DAO  13  -0.632  -3.089   2.141
  121   2H4   DAO  13          2H4       DAO  13   0.421  -1.710   2.351
  122   1H5   DAO  13          1H5       DAO  13  -1.170  -1.003   4.354
  123   2H5   DAO  13          2H5       DAO  13  -0.002  -2.296   4.584
  124   1H6   DAO  13          1H6       DAO  13  -2.868  -2.932   3.711
  125   2H6   DAO  13          2H6       DAO  13  -1.671  -4.056   4.322
  126   1H7   DAO  13          1H7       DAO  13  -3.178  -1.863   5.898
  127   2H7   DAO  13          2H7       DAO  13  -3.451  -3.584   5.946
  128   1H8   DAO  13          1H8       DAO  13  -2.287  -3.386   7.906
  129   2H8   DAO  13          2H8       DAO  13  -0.939  -3.776   6.851
  130   1H9   DAO  13          1H9       DAO  13  -1.797  -0.904   7.658
  131   2H9   DAO  13          2H9       DAO  13  -0.381  -1.290   6.685
  132   1H10  DAO  13          1H10      DAO  13  -0.827  -2.212   9.600
  133   2H10  DAO  13          2H10      DAO  13   0.594  -2.607   8.629
  134   1H11  DAO  13          1H11      DAO  13   1.126  -0.133   8.394
  135   2H11  DAO  13          2H11      DAO  13  -0.306   0.271   9.342
  136   1H12  DAO  13          1H12      DAO  13   0.652  -0.968  11.347
  137   2H12  DAO  13          2H12      DAO  13   2.099  -1.386  10.392
  138   3H12  DAO  13          3H12      DAO  13   1.748   0.314  10.783
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1   2.255  -0.163   0.545
    2    HA   PHE   1           HA       PHE   1   1.921   0.782  -2.247
    3   1HB   PHE   1          1HB       PHE   1   4.398   0.834  -2.187
    4   2HB   PHE   1          2HB       PHE   1   3.679   1.823  -0.948
    5    HD1  PHE   1           HD1      PHE   1   4.037   1.336   1.462
    6    HD2  PHE   1           HD2      PHE   1   5.725  -1.236  -1.544
    7    HE1  PHE   1           HE1      PHE   1   5.461   0.273   3.163
    8    HE2  PHE   1           HE2      PHE   1   7.152  -2.285   0.171
    9    HZ   PHE   1           HZ       PHE   1   7.017  -1.538   2.525
   10    H    GLN   2           H        GLN   2   2.067  -2.203  -0.655
   11    HA   GLN   2           HA       GLN   2   3.378  -3.859  -2.773
   12   1HB   GLN   2          1HB       GLN   2   2.523  -5.735  -1.309
   13   2HB   GLN   2          2HB       GLN   2   3.719  -4.682  -0.599
   14   1HG   GLN   2          1HG       GLN   2   2.016  -3.517   0.788
   15   2HG   GLN   2          2HG       GLN   2   0.708  -4.356  -0.014
   16   1HE2  GLN   2          1HE2      GLN   2   2.981  -4.529   2.566
   17   2HE2  GLN   2          2HE2      GLN   2   2.489  -6.225   3.093
   18    H    TRP   3           H        TRP   3   0.100  -2.764  -2.035
   19    HA   TRP   3           HA       TRP   3  -0.758  -3.716  -4.715
   20   1HB   TRP   3          1HB       TRP   3  -2.782  -5.065  -3.779
   21   2HB   TRP   3          2HB       TRP   3  -1.197  -5.774  -3.836
   22    HD1  TRP   3           HD1      TRP   3  -0.553  -7.111  -1.893
   23    HE1  TRP   3           HE1      TRP   3  -1.080  -7.387   0.690
   24    HE3  TRP   3           HE3      TRP   3  -3.538  -3.049  -1.505
   25    HZ2  TRP   3           HZ2      TRP   3  -2.890  -6.042   2.436
   26    HZ3  TRP   3           HZ3      TRP   3  -4.583  -2.531   0.621
   27    HH2  TRP   3           HH2      TRP   3  -4.283  -4.002   2.598
   28    H    GLN   4           H        GLN   4  -0.700  -1.087  -3.381
   29    HA   GLN   4           HA       GLN   4  -3.256  -0.171  -2.727
   30   1HB   GLN   4          1HB       GLN   4  -2.499   2.008  -2.804
   31   2HB   GLN   4          2HB       GLN   4  -1.100   1.061  -2.414
   32   1HG   GLN   4          1HG       GLN   4  -1.735   2.523  -5.056
   33   2HG   GLN   4          2HG       GLN   4  -0.521   2.934  -3.876
   34   1HE2  GLN   4          1HE2      GLN   4  -1.294   0.787  -6.398
   35   2HE2  GLN   4          2HE2      GLN   4   0.384   0.102  -6.641
   36    H    ARG   5           H        ARG   5  -2.605  -1.022  -5.905
   37    HA   ARG   5           HA       ARG   5  -5.451  -0.332  -6.537
   38   1HB   ARG   5          1HB       ARG   5  -3.064   0.581  -8.167
   39   2HB   ARG   5          2HB       ARG   5  -4.197  -0.242  -9.138
   40   1HG   ARG   5          1HG       ARG   5  -4.976   2.104  -7.259
   41   2HG   ARG   5          2HG       ARG   5  -4.423   2.323  -8.901
   42   1HD   ARG   5          1HD       ARG   5  -6.832   2.492  -9.010
   43   2HD   ARG   5          2HD       ARG   5  -6.366   1.021  -9.812
   44    HE   ARG   5           HE       ARG   5  -7.286  -0.343  -8.002
   45   1HH1  ARG   5          1HH1      ARG   5  -7.471   3.005  -7.105
   46   2HH1  ARG   5          2HH1      ARG   5  -8.528   2.635  -5.660
   47   1HH2  ARG   5          1HH2      ARG   5  -8.597  -0.716  -6.435
   48   2HH2  ARG   5          2HH2      ARG   5  -9.111   0.622  -5.315
   49    H    ASN   6           H        ASN   6  -3.863  -2.885  -5.764
   50    HA   ASN   6           HA       ASN   6  -4.864  -4.695  -8.063
   51   1HB   ASN   6          1HB       ASN   6  -2.063  -4.620  -6.781
   52   2HB   ASN   6          2HB       ASN   6  -2.600  -5.926  -7.791
   53   1HD2  ASN   6          1HD2      ASN   6  -3.260  -5.329 -10.083
   54   2HD2  ASN   6          2HD2      ASN   6  -2.283  -3.955 -10.823
   55    H    ILE   7           H        ILE   7  -6.416  -4.627  -5.871
   56    HA   ILE   7           HA       ILE   7  -5.892  -7.316  -4.549
   57    HB   ILE   7           HB       ILE   7  -8.420  -6.291  -3.583
   58   1HG1  ILE   7          1HG1      ILE   7  -7.625  -3.984  -4.171
   59   2HG1  ILE   7          2HG1      ILE   7  -8.151  -4.304  -2.544
   60   1HG2  ILE   7          1HG2      ILE   7  -5.734  -6.739  -2.179
   61   2HG2  ILE   7          2HG2      ILE   7  -7.319  -6.570  -1.380
   62   3HG2  ILE   7          3HG2      ILE   7  -6.998  -7.956  -2.458
   63   1HD1  ILE   7          1HD1      ILE   7  -6.027  -2.840  -2.659
   64   2HD1  ILE   7          2HD1      ILE   7  -5.849  -4.304  -1.671
   65   3HD1  ILE   7          3HD1      ILE   7  -5.147  -4.256  -3.294
   66    H    ARG   8           H        ARG   8  -7.478  -6.381  -7.244
   67    HA   ARG   8           HA       ARG   8  -9.675  -8.446  -7.130
   68   1HB   ARG   8          1HB       ARG   8  -8.718  -6.854  -9.558
   69   2HB   ARG   8          2HB       ARG   8 -10.162  -7.849  -9.476
   70   1HG   ARG   8          1HG       ARG   8 -11.354  -6.329  -8.059
   71   2HG   ARG   8          2HG       ARG   8  -9.941  -5.465  -7.531
   72   1HD   ARG   8          1HD       ARG   8 -10.958  -5.414 -10.454
   73   2HD   ARG   8          2HD       ARG   8 -11.408  -4.217  -9.227
   74    HE   ARG   8           HE       ARG   8  -8.539  -4.242  -9.150
   75   1HH1  ARG   8          1HH1      ARG   8 -10.905  -3.522 -11.592
   76   2HH1  ARG   8          2HH1      ARG   8  -9.758  -2.417 -12.489
   77   1HH2  ARG   8          1HH2      ARG   8  -7.251  -2.961 -10.177
   78   2HH2  ARG   8          2HH2      ARG   8  -7.794  -2.145 -11.710
   79    H    LYS   9           H        LYS   9  -6.457  -8.152  -8.615
   80    HA   LYS   9           HA       LYS   9  -6.426 -10.944  -9.643
   81   1HB   LYS   9          1HB       LYS   9  -4.054 -10.762  -9.956
   82   2HB   LYS   9          2HB       LYS   9  -4.916  -9.465 -10.745
   83   1HG   LYS   9          1HG       LYS   9  -3.880  -7.774  -9.496
   84   2HG   LYS   9          2HG       LYS   9  -3.909  -8.680  -8.017
   85   1HD   LYS   9          1HD       LYS   9  -1.652  -8.473  -8.416
   86   2HD   LYS   9          2HD       LYS   9  -1.956 -10.133  -8.827
   87   1HE   LYS   9          1HE       LYS   9  -1.742  -7.819 -10.911
   88   2HE   LYS   9          2HE       LYS   9  -0.356  -8.737 -10.341
   89   1HZ   LYS   9          1HZ       LYS   9  -1.426 -10.818 -11.205
   90   2HZ   LYS   9          2HZ       LYS   9  -2.702  -9.964 -11.779
   91   3HZ   LYS   9          3HZ       LYS   9  -1.207  -9.740 -12.424
   92    H    VAL  10           H        VAL  10  -5.494  -9.465  -6.567
   93    HA   VAL  10           HA       VAL  10  -4.759 -12.208  -5.393
   94    HB   VAL  10           HB       VAL  10  -4.261  -9.411  -4.213
   95   1HG1  VAL  10          1HG1      VAL  10  -3.328 -12.168  -3.146
   96   2HG1  VAL  10          2HG1      VAL  10  -2.889 -10.580  -2.470
   97   3HG1  VAL  10          3HG1      VAL  10  -4.564 -11.133  -2.397
   98   1HG2  VAL  10          1HG2      VAL  10  -2.177 -11.398  -5.370
   99   2HG2  VAL  10          2HG2      VAL  10  -2.651  -9.845  -6.103
  100   3HG2  VAL  10          3HG2      VAL  10  -1.813  -9.859  -4.547
  101    H    ARG  11           H        ARG  11  -7.072 -12.616  -5.773
  102    HA   ARG  11           HA       ARG  11  -9.230 -11.178  -4.614
  103   1HB   ARG  11          1HB       ARG  11  -8.933 -14.123  -5.485
  104   2HB   ARG  11          2HB       ARG  11 -10.388 -13.622  -4.724
  105   1HG   ARG  11          1HG       ARG  11 -11.272 -12.848  -6.580
  106   2HG   ARG  11          2HG       ARG  11 -10.062 -11.588  -6.710
  107   1HD   ARG  11          1HD       ARG  11  -8.552 -13.081  -8.024
  108   2HD   ARG  11          2HD       ARG  11  -9.668 -14.458  -7.817
  109    HE   ARG  11           HE       ARG  11 -11.271 -12.327  -8.921
  110   1HH1  ARG  11          1HH1      ARG  11  -8.518 -14.144  -9.992
  111   2HH1  ARG  11          2HH1      ARG  11  -8.952 -13.917 -11.757
  112   1HH2  ARG  11          1HH2      ARG  11 -11.764 -12.114 -10.915
  113   2HH2  ARG  11          2HH2      ARG  11 -10.716 -12.805 -12.233
  114   1HN   NH2  12          1HN       NH2  12  -9.101 -11.957  -1.075
  115   2HN   NH2  12          2HN       NH2  12  -8.904 -10.655  -2.351
  116   1H2   DAO  13          1H2       DAO  13  -0.026   0.453   1.794
  117   2H2   DAO  13          2H2       DAO  13  -1.464   0.642   0.808
  118   1H3   DAO  13          1H3       DAO  13  -1.897  -0.911   2.690
  119   2H3   DAO  13          2H3       DAO  13  -2.105  -1.705   1.151
  120   1H4   DAO  13          1H4       DAO  13  -0.554  -3.259   1.529
  121   2H4   DAO  13          2H4       DAO  13   0.677  -2.141   2.062
  122   1H5   DAO  13          1H5       DAO  13  -0.368  -4.064   3.627
  123   2H5   DAO  13          2H5       DAO  13  -1.589  -2.880   4.020
  124   1H6   DAO  13          1H6       DAO  13   0.475  -3.075   5.570
  125   2H6   DAO  13          2H6       DAO  13   1.474  -2.421   4.288
  126   1H7   DAO  13          1H7       DAO  13  -0.045  -0.305   4.335
  127   2H7   DAO  13          2H7       DAO  13  -0.846  -0.975   5.747
  128   1H8   DAO  13          1H8       DAO  13   2.159  -0.267   5.515
  129   2H8   DAO  13          2H8       DAO  13   0.933   0.715   6.297
  130   1H9   DAO  13          1H9       DAO  13   1.764  -2.107   7.221
  131   2H9   DAO  13          2H9       DAO  13   0.536  -1.136   8.015
  132   1H10  DAO  13          1H10      DAO  13   2.902  -1.181   9.052
  133   2H10  DAO  13          2H10      DAO  13   3.491  -0.256   7.681
  134   1H11  DAO  13          1H11      DAO  13   1.885   1.637   8.296
  135   2H11  DAO  13          2H11      DAO  13   1.278   0.675   9.645
  136   1H12  DAO  13          1H12      DAO  13   2.994   2.316  10.451
  137   2H12  DAO  13          2H12      DAO  13   3.606   0.664  10.692
  138   3H12  DAO  13          3H12      DAO  13   4.209   1.650   9.334
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1   2.313   0.191   0.311
    2    HA   PHE   1           HA       PHE   1   2.029   0.910  -2.522
    3   1HB   PHE   1          1HB       PHE   1   4.495   0.661  -2.476
    4   2HB   PHE   1          2HB       PHE   1   3.857   1.821  -1.351
    5    HD1  PHE   1           HD1      PHE   1   5.510  -1.541  -1.561
    6    HD2  PHE   1           HD2      PHE   1   4.282   1.658   1.041
    7    HE1  PHE   1           HE1      PHE   1   6.855  -2.498   0.270
    8    HE2  PHE   1           HE2      PHE   1   5.632   0.692   2.855
    9    HZ   PHE   1           HZ       PHE   1   6.917  -1.385   2.478
   10    H    GLN   2           H        GLN   2   2.080  -2.095  -0.784
   11    HA   GLN   2           HA       GLN   2   3.290  -3.837  -2.886
   12   1HB   GLN   2          1HB       GLN   2   2.537  -5.650  -1.317
   13   2HB   GLN   2          2HB       GLN   2   3.723  -4.535  -0.690
   14   1HG   GLN   2          1HG       GLN   2   2.009  -3.354   0.692
   15   2HG   GLN   2          2HG       GLN   2   0.716  -4.287  -0.023
   16   1HE2  GLN   2          1HE2      GLN   2   3.518  -4.481   2.151
   17   2HE2  GLN   2          2HE2      GLN   2   2.902  -6.016   2.963
   18    H    TRP   3           H        TRP   3   0.030  -2.864  -1.997
   19    HA   TRP   3           HA       TRP   3  -0.917  -3.918  -4.627
   20   1HB   TRP   3          1HB       TRP   3  -2.864  -5.240  -3.561
   21   2HB   TRP   3          2HB       TRP   3  -1.265  -5.924  -3.602
   22    HD1  TRP   3           HD1      TRP   3  -0.641  -7.165  -1.600
   23    HE1  TRP   3           HE1      TRP   3  -1.264  -7.365   0.987
   24    HE3  TRP   3           HE3      TRP   3  -3.399  -2.949  -1.366
   25    HZ2  TRP   3           HZ2      TRP   3  -3.086  -5.908   2.630
   26    HZ3  TRP   3           HZ3      TRP   3  -4.503  -2.336   0.684
   27    HH2  TRP   3           HH2      TRP   3  -4.366  -3.793   2.697
   28    H    GLN   4           H        GLN   4  -1.062  -1.327  -2.807
   29    HA   GLN   4           HA       GLN   4  -3.428  -0.101  -2.661
   30   1HB   GLN   4          1HB       GLN   4  -2.416   2.005  -3.604
   31   2HB   GLN   4          2HB       GLN   4  -1.455   1.181  -2.417
   32   1HG   GLN   4          1HG       GLN   4   0.281   0.636  -3.877
   33   2HG   GLN   4          2HG       GLN   4  -0.739   0.364  -5.244
   34   1HE2  GLN   4          1HE2      GLN   4  -0.589   1.813  -6.783
   35   2HE2  GLN   4          2HE2      GLN   4   0.079   3.508  -6.574
   36    H    ARG   5           H        ARG   5  -2.404  -0.900  -5.923
   37    HA   ARG   5           HA       ARG   5  -5.315  -0.593  -6.767
   38   1HB   ARG   5          1HB       ARG   5  -3.491   1.319  -7.618
   39   2HB   ARG   5          2HB       ARG   5  -3.211   0.160  -8.852
   40   1HG   ARG   5          1HG       ARG   5  -5.673   1.828  -8.133
   41   2HG   ARG   5          2HG       ARG   5  -4.806   1.788  -9.642
   42   1HD   ARG   5          1HD       ARG   5  -6.926  -0.200  -8.634
   43   2HD   ARG   5          2HD       ARG   5  -7.040   0.939  -9.984
   44    HE   ARG   5           HE       ARG   5  -4.877  -1.185 -10.125
   45   1HH1  ARG   5          1HH1      ARG   5  -8.143  -0.487 -11.064
   46   2HH1  ARG   5          2HH1      ARG   5  -8.230  -1.997 -12.097
   47   1HH2  ARG   5          1HH2      ARG   5  -4.965  -2.793 -11.319
   48   2HH2  ARG   5          2HH2      ARG   5  -6.477  -3.240 -12.239
   49    H    ASN   6           H        ASN   6  -4.109  -2.903  -5.824
   50    HA   ASN   6           HA       ASN   6  -4.745  -4.825  -8.096
   51   1HB   ASN   6          1HB       ASN   6  -1.962  -4.607  -6.769
   52   2HB   ASN   6          2HB       ASN   6  -2.509  -6.133  -7.388
   53   1HD2  ASN   6          1HD2      ASN   6  -0.676  -3.632  -8.325
   54   2HD2  ASN   6          2HD2      ASN   6  -0.892  -3.873 -10.136
   55    H    ILE   7           H        ILE   7  -6.521  -4.697  -6.190
   56    HA   ILE   7           HA       ILE   7  -6.006  -7.228  -4.549
   57    HB   ILE   7           HB       ILE   7  -8.483  -6.043  -3.623
   58   1HG1  ILE   7          1HG1      ILE   7  -7.466  -3.809  -4.262
   59   2HG1  ILE   7          2HG1      ILE   7  -8.104  -4.044  -2.660
   60   1HG2  ILE   7          1HG2      ILE   7  -5.839  -6.630  -2.171
   61   2HG2  ILE   7          2HG2      ILE   7  -7.408  -6.339  -1.394
   62   3HG2  ILE   7          3HG2      ILE   7  -7.169  -7.776  -2.423
   63   1HD1  ILE   7          1HD1      ILE   7  -5.886  -4.147  -1.636
   64   2HD1  ILE   7          2HD1      ILE   7  -5.082  -4.315  -3.200
   65   3HD1  ILE   7          3HD1      ILE   7  -5.841  -2.763  -2.752
   66    H    ARG   8           H        ARG   8  -7.808  -6.318  -7.230
   67    HA   ARG   8           HA       ARG   8  -9.824  -8.547  -6.966
   68   1HB   ARG   8          1HB       ARG   8  -9.119  -6.840  -9.418
   69   2HB   ARG   8          2HB       ARG   8 -10.326  -8.119  -9.393
   70   1HG   ARG   8          1HG       ARG   8 -11.658  -6.895  -7.634
   71   2HG   ARG   8          2HG       ARG   8 -10.486  -5.579  -7.645
   72   1HD   ARG   8          1HD       ARG   8 -10.936  -5.147 -10.096
   73   2HD   ARG   8          2HD       ARG   8 -12.080  -6.508 -10.142
   74    HE   ARG   8           HE       ARG   8 -12.969  -4.749  -8.006
   75   1HH1  ARG   8          1HH1      ARG   8 -12.712  -4.648 -11.478
   76   2HH1  ARG   8          2HH1      ARG   8 -14.099  -3.464 -11.624
   77   1HH2  ARG   8          1HH2      ARG   8 -14.552  -3.406  -8.213
   78   2HH2  ARG   8          2HH2      ARG   8 -15.075  -2.812  -9.850
   79    H    LYS   9           H        LYS   9  -6.676  -8.071  -8.565
   80    HA   LYS   9           HA       LYS   9  -6.571 -10.893  -9.520
   81   1HB   LYS   9          1HB       LYS   9  -4.283 -10.575 -10.156
   82   2HB   LYS   9          2HB       LYS   9  -5.312  -9.355 -10.851
   83   1HG   LYS   9          1HG       LYS   9  -4.280  -7.558  -9.694
   84   2HG   LYS   9          2HG       LYS   9  -3.907  -8.511  -8.285
   85   1HD   LYS   9          1HD       LYS   9  -1.814  -8.020  -9.244
   86   2HD   LYS   9          2HD       LYS   9  -2.085  -9.737  -9.503
   87   1HE   LYS   9          1HE       LYS   9  -2.843  -9.176 -11.936
   88   2HE   LYS   9          2HE       LYS   9  -2.467  -7.478 -11.612
   89   1HZ   LYS   9          1HZ       LYS   9  -0.498  -8.630 -12.624
   90   2HZ   LYS   9          2HZ       LYS   9  -0.113  -8.183 -11.089
   91   3HZ   LYS   9          3HZ       LYS   9  -0.469  -9.746 -11.419
   92    H    VAL  10           H        VAL  10  -5.269  -9.247  -6.634
   93    HA   VAL  10           HA       VAL  10  -4.352 -11.943  -5.480
   94    HB   VAL  10           HB       VAL  10  -3.908  -9.114  -4.377
   95   1HG1  VAL  10          1HG1      VAL  10  -2.790 -11.804  -3.303
   96   2HG1  VAL  10          2HG1      VAL  10  -2.381 -10.178  -2.702
   97   3HG1  VAL  10          3HG1      VAL  10  -4.021 -10.798  -2.503
   98   1HG2  VAL  10          1HG2      VAL  10  -1.832 -11.065  -5.617
   99   2HG2  VAL  10          2HG2      VAL  10  -2.417  -9.563  -6.372
  100   3HG2  VAL  10          3HG2      VAL  10  -1.474  -9.482  -4.879
  101    H    ARG  11           H        ARG  11  -6.588 -12.446  -5.745
  102    HA   ARG  11           HA       ARG  11  -8.698 -10.919  -4.542
  103   1HB   ARG  11          1HB       ARG  11  -8.673 -12.370  -6.665
  104   2HB   ARG  11          2HB       ARG  11  -8.973 -13.771  -5.661
  105   1HG   ARG  11          1HG       ARG  11 -11.143 -12.747  -4.862
  106   2HG   ARG  11          2HG       ARG  11 -10.778 -11.252  -5.731
  107   1HD   ARG  11          1HD       ARG  11 -10.787 -12.494  -7.930
  108   2HD   ARG  11          2HD       ARG  11 -11.186 -14.010  -7.082
  109    HE   ARG  11           HE       ARG  11 -13.181 -12.129  -6.209
  110   1HH1  ARG  11          1HH1      ARG  11 -12.255 -13.508  -9.262
  111   2HH1  ARG  11          2HH1      ARG  11 -13.931 -13.286  -9.963
  112   1HH2  ARG  11          1HH2      ARG  11 -15.073 -11.890  -7.028
  113   2HH2  ARG  11          2HH2      ARG  11 -15.439 -12.408  -8.733
  114   1HN   NH2  12          1HN       NH2  12  -8.579 -13.968  -1.780
  115   2HN   NH2  12          2HN       NH2  12  -7.491 -14.105  -3.259
  116   1H2   DAO  13          1H2       DAO  13  -0.183   0.788   1.474
  117   2H2   DAO  13          2H2       DAO  13  -1.667   0.578   0.561
  118   1H3   DAO  13          1H3       DAO  13  -1.718  -0.696   2.723
  119   2H3   DAO  13          2H3       DAO  13  -1.922  -1.749   1.343
  120   1H4   DAO  13          1H4       DAO  13  -0.011  -2.900   1.654
  121   2H4   DAO  13          2H4       DAO  13   0.945  -1.510   2.112
  122   1H5   DAO  13          1H5       DAO  13  -0.401  -1.663   4.449
  123   2H5   DAO  13          2H5       DAO  13   1.052  -2.578   4.098
  124   1H6   DAO  13          1H6       DAO  13  -1.813  -3.683   3.859
  125   2H6   DAO  13          2H6       DAO  13  -0.374  -4.558   3.331
  126   1H7   DAO  13          1H7       DAO  13   0.583  -4.279   5.724
  127   2H7   DAO  13          2H7       DAO  13  -0.977  -3.614   6.210
  128   1H8   DAO  13          1H8       DAO  13  -2.099  -5.792   5.473
  129   2H8   DAO  13          2H8       DAO  13  -0.523  -6.424   4.989
  130   1H9   DAO  13          1H9       DAO  13  -1.310  -5.574   7.856
  131   2H9   DAO  13          2H9       DAO  13   0.304  -6.120   7.401
  132   1H10  DAO  13          1H10      DAO  13  -2.255  -7.836   7.075
  133   2H10  DAO  13          2H10      DAO  13  -0.623  -8.337   6.660
  134   1H11  DAO  13          1H11      DAO  13  -1.042  -9.325   8.786
  135   2H11  DAO  13          2H11      DAO  13   0.072  -8.009   9.117
  136   1H12  DAO  13          1H12      DAO  13  -3.008  -7.904   9.551
  137   2H12  DAO  13          2H12      DAO  13  -1.785  -8.109  10.827
  138   3H12  DAO  13          3H12      DAO  13  -1.885  -6.575   9.936
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1   2.344   0.117   0.283
    2    HA   PHE   1           HA       PHE   1   2.102   0.904  -2.535
    3   1HB   PHE   1          1HB       PHE   1   4.591   0.613  -2.428
    4   2HB   PHE   1          2HB       PHE   1   3.904   1.784  -1.346
    5    HD1  PHE   1           HD1      PHE   1   5.436  -1.665  -1.380
    6    HD2  PHE   1           HD2      PHE   1   4.318   1.722   1.027
    7    HE1  PHE   1           HE1      PHE   1   6.649  -2.616   0.545
    8    HE2  PHE   1           HE2      PHE   1   5.541   0.764   2.932
    9    HZ   PHE   1           HZ       PHE   1   6.698  -1.406   2.702
   10    H    GLN   2           H        GLN   2   2.078  -2.165  -0.922
   11    HA   GLN   2           HA       GLN   2   3.296  -3.796  -3.120
   12   1HB   GLN   2          1HB       GLN   2   2.572  -5.701  -1.620
   13   2HB   GLN   2          2HB       GLN   2   3.816  -4.641  -1.015
   14   1HG   GLN   2          1HG       GLN   2   2.235  -3.515   0.541
   15   2HG   GLN   2          2HG       GLN   2   0.865  -4.371  -0.131
   16   1HE2  GLN   2          1HE2      GLN   2   3.866  -4.811   1.744
   17   2HE2  GLN   2          2HE2      GLN   2   3.255  -6.358   2.537
   18    H    TRP   3           H        TRP   3   0.041  -2.911  -2.089
   19    HA   TRP   3           HA       TRP   3  -0.960  -3.844  -4.739
   20   1HB   TRP   3          1HB       TRP   3  -2.852  -5.283  -3.736
   21   2HB   TRP   3          2HB       TRP   3  -1.235  -5.921  -3.845
   22    HD1  TRP   3           HD1      TRP   3  -0.484  -7.239  -1.914
   23    HE1  TRP   3           HE1      TRP   3  -0.908  -7.482   0.696
   24    HE3  TRP   3           HE3      TRP   3  -3.515  -3.223  -1.451
   25    HZ2  TRP   3           HZ2      TRP   3  -2.674  -6.153   2.492
   26    HZ3  TRP   3           HZ3      TRP   3  -4.402  -2.637   0.713
   27    HH2  TRP   3           HH2      TRP   3  -4.030  -4.094   2.695
   28    H    GLN   4           H        GLN   4  -1.085  -1.339  -2.826
   29    HA   GLN   4           HA       GLN   4  -3.506  -0.194  -2.552
   30   1HB   GLN   4          1HB       GLN   4  -2.549   1.976  -3.430
   31   2HB   GLN   4          2HB       GLN   4  -1.589   1.136  -2.256
   32   1HG   GLN   4          1HG       GLN   4   0.191   0.717  -3.681
   33   2HG   GLN   4          2HG       GLN   4  -0.784   0.401  -5.072
   34   1HE2  GLN   4          1HE2      GLN   4  -0.811   1.900  -6.587
   35   2HE2  GLN   4          2HE2      GLN   4  -0.158   3.602  -6.372
   36    H    ARG   5           H        ARG   5  -2.488  -0.790  -5.866
   37    HA   ARG   5           HA       ARG   5  -5.426  -0.570  -6.645
   38   1HB   ARG   5          1HB       ARG   5  -3.712   1.448  -7.461
   39   2HB   ARG   5          2HB       ARG   5  -3.394   0.338  -8.735
   40   1HG   ARG   5          1HG       ARG   5  -5.907   1.886  -7.962
   41   2HG   ARG   5          2HG       ARG   5  -5.070   1.882  -9.487
   42   1HD   ARG   5          1HD       ARG   5  -7.095  -0.185  -8.439
   43   2HD   ARG   5          2HD       ARG   5  -7.280   0.946  -9.788
   44    HE   ARG   5           HE       ARG   5  -5.022  -1.050 -10.026
   45   1HH1  ARG   5          1HH1      ARG   5  -8.396  -0.636 -10.723
   46   2HH1  ARG   5          2HH1      ARG   5  -8.445  -2.190 -11.691
   47   1HH2  ARG   5          1HH2      ARG   5  -5.078  -2.714 -11.144
   48   2HH2  ARG   5          2HH2      ARG   5  -6.615  -3.301 -11.932
   49    H    ASN   6           H        ASN   6  -4.195  -2.867  -5.822
   50    HA   ASN   6           HA       ASN   6  -4.699  -4.703  -8.192
   51   1HB   ASN   6          1HB       ASN   6  -1.947  -4.256  -6.888
   52   2HB   ASN   6          2HB       ASN   6  -2.322  -5.865  -7.406
   53   1HD2  ASN   6          1HD2      ASN   6  -0.602  -3.474  -8.527
   54   2HD2  ASN   6          2HD2      ASN   6  -0.932  -3.748 -10.317
   55    H    ILE   7           H        ILE   7  -6.360  -4.570  -5.945
   56    HA   ILE   7           HA       ILE   7  -5.787  -7.213  -4.557
   57    HB   ILE   7           HB       ILE   7  -8.325  -6.253  -3.582
   58   1HG1  ILE   7          1HG1      ILE   7  -7.487  -3.919  -4.144
   59   2HG1  ILE   7          2HG1      ILE   7  -8.100  -4.260  -2.550
   60   1HG2  ILE   7          1HG2      ILE   7  -5.631  -6.691  -2.168
   61   2HG2  ILE   7          2HG2      ILE   7  -7.209  -6.547  -1.370
   62   3HG2  ILE   7          3HG2      ILE   7  -6.876  -7.922  -2.456
   63   1HD1  ILE   7          1HD1      ILE   7  -5.906  -2.824  -2.610
   64   2HD1  ILE   7          2HD1      ILE   7  -5.895  -4.235  -1.527
   65   3HD1  ILE   7          3HD1      ILE   7  -5.067  -4.329  -3.083
   66    H    ARG   8           H        ARG   8  -7.628  -6.248  -7.231
   67    HA   ARG   8           HA       ARG   8  -9.505  -8.599  -7.003
   68   1HB   ARG   8          1HB       ARG   8  -9.264  -6.623  -9.305
   69   2HB   ARG   8          2HB       ARG   8 -10.287  -8.060  -9.297
   70   1HG   ARG   8          1HG       ARG   8 -11.343  -7.227  -7.088
   71   2HG   ARG   8          2HG       ARG   8 -10.513  -5.698  -7.326
   72   1HD   ARG   8          1HD       ARG   8 -11.753  -5.248  -9.420
   73   2HD   ARG   8          2HD       ARG   8 -12.420  -6.866  -9.487
   74    HE   ARG   8           HE       ARG   8 -13.082  -4.733  -7.376
   75   1HH1  ARG   8          1HH1      ARG   8 -13.813  -7.909  -8.570
   76   2HH1  ARG   8          2HH1      ARG   8 -15.330  -8.024  -7.553
   77   1HH2  ARG   8          1HH2      ARG   8 -14.885  -4.835  -6.345
   78   2HH2  ARG   8          2HH2      ARG   8 -15.879  -6.359  -6.349
   79    H    LYS   9           H        LYS   9  -6.356  -8.044  -8.334
   80    HA   LYS   9           HA       LYS   9  -6.252 -10.792  -9.534
   81   1HB   LYS   9          1HB       LYS   9  -3.854 -10.592  -9.734
   82   2HB   LYS   9          2HB       LYS   9  -4.705  -9.325 -10.571
   83   1HG   LYS   9          1HG       LYS   9  -4.022  -7.605  -9.038
   84   2HG   LYS   9          2HG       LYS   9  -3.547  -8.713  -7.775
   85   1HD   LYS   9          1HD       LYS   9  -2.113  -8.608 -10.514
   86   2HD   LYS   9          2HD       LYS   9  -1.685  -7.554  -9.179
   87   1HE   LYS   9          1HE       LYS   9  -1.186  -9.543  -7.685
   88   2HE   LYS   9          2HE       LYS   9  -1.620 -10.655  -8.982
   89   1HZ   LYS   9          1HZ       LYS   9   0.208  -9.675 -10.367
   90   2HZ   LYS   9          2HZ       LYS   9   0.596  -8.605  -9.189
   91   3HZ   LYS   9          3HZ       LYS   9   0.840 -10.212  -8.948
   92    H    VAL  10           H        VAL  10  -5.459  -9.366  -6.359
   93    HA   VAL  10           HA       VAL  10  -4.792 -12.157  -5.266
   94    HB   VAL  10           HB       VAL  10  -4.509  -9.468  -3.821
   95   1HG1  VAL  10          1HG1      VAL  10  -3.158 -10.786  -2.132
   96   2HG1  VAL  10          2HG1      VAL  10  -4.818 -11.376  -2.212
   97   3HG1  VAL  10          3HG1      VAL  10  -3.518 -12.293  -3.005
   98   1HG2  VAL  10          1HG2      VAL  10  -2.016  -9.778  -4.030
   99   2HG2  VAL  10          2HG2      VAL  10  -2.265 -11.208  -5.067
  100   3HG2  VAL  10          3HG2      VAL  10  -2.767  -9.589  -5.617
  101    H    ARG  11           H        ARG  11  -7.076 -12.497  -5.950
  102    HA   ARG  11           HA       ARG  11  -9.289 -11.246  -4.613
  103   1HB   ARG  11          1HB       ARG  11  -8.945 -13.535  -6.532
  104   2HB   ARG  11          2HB       ARG  11 -10.334 -13.762  -5.516
  105   1HG   ARG  11          1HG       ARG  11 -11.361 -11.637  -6.164
  106   2HG   ARG  11          2HG       ARG  11  -9.887 -11.085  -6.922
  107   1HD   ARG  11          1HD       ARG  11 -11.318 -11.675  -8.714
  108   2HD   ARG  11          2HD       ARG  11 -10.069 -12.875  -8.711
  109    HE   ARG  11           HE       ARG  11 -13.000 -13.245  -7.831
  110   1HH1  ARG  11          1HH1      ARG  11  -9.966 -14.829  -8.431
  111   2HH1  ARG  11          2HH1      ARG  11 -10.763 -16.472  -8.543
  112   1HH2  ARG  11          1HH2      ARG  11 -13.873 -15.111  -7.982
  113   2HH2  ARG  11          2HH2      ARG  11 -12.872 -16.597  -8.290
  114   1HN   NH2  12          1HN       NH2  12  -8.871 -14.342  -1.973
  115   2HN   NH2  12          2HN       NH2  12  -7.788 -14.331  -3.461
  116   1H2   DAO  13          1H2       DAO  13   0.158   0.375   1.654
  117   2H2   DAO  13          2H2       DAO  13  -1.276   0.699   0.692
  118   1H3   DAO  13          1H3       DAO  13  -1.907  -1.006   2.327
  119   2H3   DAO  13          2H3       DAO  13  -1.885  -1.734   0.743
  120   1H4   DAO  13          1H4       DAO  13  -0.635  -3.400   1.608
  121   2H4   DAO  13          2H4       DAO  13   0.729  -2.316   1.571
  122   1H5   DAO  13          1H5       DAO  13   0.479  -3.499   3.750
  123   2H5   DAO  13          2H5       DAO  13  -1.126  -2.835   3.966
  124   1H6   DAO  13          1H6       DAO  13  -0.174  -0.512   4.155
  125   2H6   DAO  13          2H6       DAO  13   0.394  -1.616   5.392
  126   1H7   DAO  13          1H7       DAO  13   2.589  -1.935   4.110
  127   2H7   DAO  13          2H7       DAO  13   2.002  -0.832   2.876
  128   1H8   DAO  13          1H8       DAO  13   3.328   0.589   4.191
  129   2H8   DAO  13          2H8       DAO  13   1.707   0.966   4.739
  130   1H9   DAO  13          1H9       DAO  13   3.858  -0.742   6.158
  131   2H9   DAO  13          2H9       DAO  13   2.184  -0.829   6.664
  132   1H10  DAO  13          1H10      DAO  13   2.101   1.571   7.201
  133   2H10  DAO  13          2H10      DAO  13   3.339   0.741   8.115
  134   1H11  DAO  13          1H11      DAO  13   3.866   2.521   5.641
  135   2H11  DAO  13          2H11      DAO  13   4.017   3.028   7.313
  136   1H12  DAO  13          1H12      DAO  13   5.753   0.835   5.982
  137   2H12  DAO  13          2H12      DAO  13   6.269   2.483   6.408
  138   3H12  DAO  13          3H12      DAO  13   5.869   1.321   7.695
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1   1.692  -0.114   0.918
    2    HA   PHE   1           HA       PHE   1   2.305   1.153  -1.718
    3   1HB   PHE   1          1HB       PHE   1   4.458  -0.277  -0.126
    4   2HB   PHE   1          2HB       PHE   1   4.560   1.091  -1.162
    5    HD1  PHE   1           HD1      PHE   1   4.424  -0.101   2.239
    6    HD2  PHE   1           HD2      PHE   1   3.669   3.428  -0.100
    7    HE1  PHE   1           HE1      PHE   1   4.474   1.266   4.280
    8    HE2  PHE   1           HE2      PHE   1   3.722   4.788   1.961
    9    HZ   PHE   1           HZ       PHE   1   4.115   3.707   4.150
   10    H    GLN   2           H        GLN   2   1.917  -1.929  -0.187
   11    HA   GLN   2           HA       GLN   2   3.327  -3.642  -2.164
   12   1HB   GLN   2          1HB       GLN   2   2.283  -5.469  -0.767
   13   2HB   GLN   2          2HB       GLN   2   3.396  -4.427   0.073
   14   1HG   GLN   2          1HG       GLN   2   1.562  -3.224   1.223
   15   2HG   GLN   2          2HG       GLN   2   0.335  -4.063   0.289
   16   1HE2  GLN   2          1HE2      GLN   2   0.929  -3.926   3.242
   17   2HE2  GLN   2          2HE2      GLN   2   0.946  -5.710   3.704
   18    H    TRP   3           H        TRP   3   0.036  -2.448  -1.810
   19    HA   TRP   3           HA       TRP   3  -0.631  -3.654  -4.444
   20   1HB   TRP   3          1HB       TRP   3  -2.639  -5.012  -3.531
   21   2HB   TRP   3          2HB       TRP   3  -1.029  -5.642  -3.402
   22    HD1  TRP   3           HD1      TRP   3  -0.652  -6.918  -1.309
   23    HE1  TRP   3           HE1      TRP   3  -1.533  -7.047   1.193
   24    HE3  TRP   3           HE3      TRP   3  -3.572  -2.768  -1.535
   25    HZ2  TRP   3           HZ2      TRP   3  -3.419  -5.476   2.652
   26    HZ3  TRP   3           HZ3      TRP   3  -4.863  -2.102   0.404
   27    HH2  TRP   3           HH2      TRP   3  -4.806  -3.427   2.507
   28    H    GLN   4           H        GLN   4  -0.910  -0.879  -3.164
   29    HA   GLN   4           HA       GLN   4  -3.490  -0.036  -3.059
   30   1HB   GLN   4          1HB       GLN   4  -2.865   2.111  -3.361
   31   2HB   GLN   4          2HB       GLN   4  -1.340   1.403  -2.975
   32   1HG   GLN   4          1HG       GLN   4  -2.303   2.300  -5.783
   33   2HG   GLN   4          2HG       GLN   4  -1.277   3.200  -4.710
   34   1HE2  GLN   4          1HE2      GLN   4  -0.772  -0.226  -5.451
   35   2HE2  GLN   4          2HE2      GLN   4   0.661   0.128  -6.537
   36    H    ARG   5           H        ARG   5  -2.375  -1.102  -6.094
   37    HA   ARG   5           HA       ARG   5  -5.177  -0.840  -7.268
   38   1HB   ARG   5          1HB       ARG   5  -2.446  -0.123  -8.542
   39   2HB   ARG   5          2HB       ARG   5  -3.712  -0.629  -9.560
   40   1HG   ARG   5          1HG       ARG   5  -3.778   1.865  -7.733
   41   2HG   ARG   5          2HG       ARG   5  -3.521   1.826  -9.453
   42   1HD   ARG   5          1HD       ARG   5  -5.757   2.516  -9.344
   43   2HD   ARG   5          2HD       ARG   5  -5.904   0.791  -9.717
   44    HE   ARG   5           HE       ARG   5  -5.896   1.287  -6.765
   45   1HH1  ARG   5          1HH1      ARG   5  -8.013   1.297  -9.529
   46   2HH1  ARG   5          2HH1      ARG   5  -9.464   0.845  -8.511
   47   1HH2  ARG   5          1HH2      ARG   5  -7.538   0.830  -5.647
   48   2HH2  ARG   5          2HH2      ARG   5  -9.189   0.612  -6.394
   49    H    ASN   6           H        ASN   6  -3.773  -3.121  -5.863
   50    HA   ASN   6           HA       ASN   6  -4.499  -5.246  -7.960
   51   1HB   ASN   6          1HB       ASN   6  -1.786  -5.094  -6.489
   52   2HB   ASN   6          2HB       ASN   6  -2.357  -6.511  -7.332
   53   1HD2  ASN   6          1HD2      ASN   6  -0.303  -4.029  -7.805
   54   2HD2  ASN   6          2HD2      ASN   6  -0.439  -3.985  -9.640
   55    H    ILE   7           H        ILE   7  -6.344  -5.101  -6.292
   56    HA   ILE   7           HA       ILE   7  -5.830  -7.307  -4.235
   57    HB   ILE   7           HB       ILE   7  -8.380  -6.069  -3.579
   58   1HG1  ILE   7          1HG1      ILE   7  -7.427  -3.929  -4.475
   59   2HG1  ILE   7          2HG1      ILE   7  -8.026  -3.944  -2.829
   60   1HG2  ILE   7          1HG2      ILE   7  -7.399  -6.048  -1.289
   61   2HG2  ILE   7          2HG2      ILE   7  -7.100  -7.603  -2.109
   62   3HG2  ILE   7          3HG2      ILE   7  -5.794  -6.413  -1.958
   63   1HD1  ILE   7          1HD1      ILE   7  -5.788  -2.674  -3.130
   64   2HD1  ILE   7          2HD1      ILE   7  -5.806  -3.928  -1.868
   65   3HD1  ILE   7          3HD1      ILE   7  -5.017  -4.262  -3.414
   66    H    ARG   8           H        ARG   8  -8.214  -6.368  -6.697
   67    HA   ARG   8           HA       ARG   8  -9.749  -8.923  -6.244
   68   1HB   ARG   8          1HB       ARG   8 -10.129  -6.747  -8.375
   69   2HB   ARG   8          2HB       ARG   8 -11.065  -8.235  -8.285
   70   1HG   ARG   8          1HG       ARG   8 -11.840  -7.651  -5.951
   71   2HG   ARG   8          2HG       ARG   8 -10.982  -6.114  -6.039
   72   1HD   ARG   8          1HD       ARG   8 -12.402  -5.350  -7.952
   73   2HD   ARG   8          2HD       ARG   8 -13.173  -6.952  -8.054
   74    HE   ARG   8           HE       ARG   8 -13.456  -5.860  -5.312
   75   1HH1  ARG   8          1HH1      ARG   8 -14.824  -5.496  -8.489
   76   2HH1  ARG   8          2HH1      ARG   8 -16.474  -5.086  -7.812
   77   1HH2  ARG   8          1HH2      ARG   8 -15.341  -5.405  -4.576
   78   2HH2  ARG   8          2HH2      ARG   8 -16.726  -5.041  -5.697
   79    H    LYS   9           H        LYS   9  -7.245  -7.798  -8.481
   80    HA   LYS   9           HA       LYS   9  -7.103 -10.471  -9.797
   81   1HB   LYS   9          1HB       LYS   9  -5.305  -9.772 -11.053
   82   2HB   LYS   9          2HB       LYS   9  -6.338  -8.397 -10.981
   83   1HG   LYS   9          1HG       LYS   9  -4.683  -7.055 -10.152
   84   2HG   LYS   9          2HG       LYS   9  -4.382  -8.076  -8.781
   85   1HD   LYS   9          1HD       LYS   9  -3.176  -8.445 -11.606
   86   2HD   LYS   9          2HD       LYS   9  -2.375  -7.704 -10.233
   87   1HE   LYS   9          1HE       LYS   9  -2.561  -9.936  -8.943
   88   2HE   LYS   9          2HE       LYS   9  -3.242 -10.684 -10.377
   89   1HZ   LYS   9          1HZ       LYS   9  -0.526  -9.356 -10.270
   90   2HZ   LYS   9          2HZ       LYS   9  -0.775 -10.980 -10.342
   91   3HZ   LYS   9          3HZ       LYS   9  -1.162 -10.022 -11.622
   92    H    VAL  10           H        VAL  10  -5.837  -9.235  -6.806
   93    HA   VAL  10           HA       VAL  10  -4.212 -11.815  -6.360
   94    HB   VAL  10           HB       VAL  10  -4.092  -9.242  -4.674
   95   1HG1  VAL  10          1HG1      VAL  10  -2.097 -10.335  -3.564
   96   2HG1  VAL  10          2HG1      VAL  10  -3.551 -11.303  -3.322
   97   3HG1  VAL  10          3HG1      VAL  10  -2.348 -11.810  -4.527
   98   1HG2  VAL  10          1HG2      VAL  10  -1.923 -10.299  -6.620
   99   2HG2  VAL  10          2HG2      VAL  10  -2.908  -8.825  -6.846
  100   3HG2  VAL  10          3HG2      VAL  10  -1.760  -8.913  -5.510
  101    H    ARG  11           H        ARG  11  -6.565 -12.548  -6.505
  102    HA   ARG  11           HA       ARG  11  -8.439 -11.624  -4.498
  103   1HB   ARG  11          1HB       ARG  11  -8.784 -12.593  -6.956
  104   2HB   ARG  11          2HB       ARG  11  -9.028 -14.124  -6.172
  105   1HG   ARG  11          1HG       ARG  11 -10.566 -11.524  -5.469
  106   2HG   ARG  11          2HG       ARG  11 -11.091 -12.581  -6.741
  107   1HD   ARG  11          1HD       ARG  11 -10.836 -13.522  -3.797
  108   2HD   ARG  11          2HD       ARG  11 -12.291 -12.789  -4.473
  109    HE   ARG  11           HE       ARG  11 -11.572 -14.962  -6.262
  110   1HH1  ARG  11          1HH1      ARG  11 -12.674 -14.609  -2.982
  111   2HH1  ARG  11          2HH1      ARG  11 -13.611 -16.179  -3.043
  112   1HH2  ARG  11          1HH2      ARG  11 -12.657 -16.737  -6.304
  113   2HH2  ARG  11          2HH2      ARG  11 -13.584 -17.312  -4.848
  114   1HN   NH2  12          1HN       NH2  12  -7.430 -15.245  -2.838
  115   2HN   NH2  12          2HN       NH2  12  -6.834 -14.890  -4.540
  116   1H2   DAO  13          1H2       DAO  13  -0.643   1.249   1.487
  117   2H2   DAO  13          2H2       DAO  13  -1.805   1.320   0.172
  118   1H3   DAO  13          1H3       DAO  13  -2.745  -0.227   1.790
  119   2H3   DAO  13          2H3       DAO  13  -2.246  -1.138   0.393
  120   1H4   DAO  13          1H4       DAO  13  -1.269  -2.568   1.832
  121   2H4   DAO  13          2H4       DAO  13   0.067  -1.451   1.926
  122   1H5   DAO  13          1H5       DAO  13  -0.923  -2.355   4.139
  123   2H5   DAO  13          2H5       DAO  13  -2.362  -1.399   3.848
  124   1H6   DAO  13          1H6       DAO  13   0.516  -0.296   4.164
  125   2H6   DAO  13          2H6       DAO  13  -0.890   0.718   3.840
  126   1H7   DAO  13          1H7       DAO  13  -1.975  -0.005   5.966
  127   2H7   DAO  13          2H7       DAO  13  -0.671  -1.119   6.324
  128   1H8   DAO  13          1H8       DAO  13  -0.292   1.934   6.022
  129   2H8   DAO  13          2H8       DAO  13  -0.651   1.166   7.550
  130   1H9   DAO  13          1H9       DAO  13   1.797   1.735   7.162
  131   2H9   DAO  13          2H9       DAO  13   1.877   0.536   5.884
  132   1H10  DAO  13          1H10      DAO  13   1.144  -0.060   8.836
  133   2H10  DAO  13          2H10      DAO  13   1.273  -1.282   7.572
  134   1H11  DAO  13          1H11      DAO  13   3.719  -0.701   7.242
  135   2H11  DAO  13          2H11      DAO  13   3.599   0.538   8.494
  136   1H12  DAO  13          1H12      DAO  13   4.563  -1.579   9.441
  137   2H12  DAO  13          2H12      DAO  13   2.998  -1.240  10.215
  138   3H12  DAO  13          3H12      DAO  13   3.118  -2.495   8.954
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1   2.242   0.252   0.356
    2    HA   PHE   1           HA       PHE   1   2.133   0.934  -2.514
    3   1HB   PHE   1          1HB       PHE   1   4.585   0.706  -2.319
    4   2HB   PHE   1          2HB       PHE   1   3.895   1.878  -1.237
    5    HD1  PHE   1           HD1      PHE   1   4.095   1.659   1.211
    6    HD2  PHE   1           HD2      PHE   1   5.577  -1.462  -1.350
    7    HE1  PHE   1           HE1      PHE   1   5.372   0.717   3.089
    8    HE2  PHE   1           HE2      PHE   1   6.855  -2.393   0.542
    9    HZ   PHE   1           HZ       PHE   1   6.753  -1.307   2.762
   10    H    GLN   2           H        GLN   2   1.999  -2.004  -0.696
   11    HA   GLN   2           HA       GLN   2   3.289  -3.829  -2.687
   12   1HB   GLN   2          1HB       GLN   2   2.416  -5.593  -1.104
   13   2HB   GLN   2          2HB       GLN   2   3.646  -4.521  -0.487
   14   1HG   GLN   2          1HG       GLN   2   2.031  -3.255   0.870
   15   2HG   GLN   2          2HG       GLN   2   0.657  -4.076   0.154
   16   1HE2  GLN   2          1HE2      GLN   2   3.059  -4.239   2.636
   17   2HE2  GLN   2          2HE2      GLN   2   2.480  -5.864   3.283
   18    H    TRP   3           H        TRP   3   0.007  -2.790  -1.928
   19    HA   TRP   3           HA       TRP   3  -0.856  -3.876  -4.571
   20   1HB   TRP   3          1HB       TRP   3  -2.845  -5.193  -3.589
   21   2HB   TRP   3          2HB       TRP   3  -1.250  -5.881  -3.555
   22    HD1  TRP   3           HD1      TRP   3  -0.704  -7.094  -1.507
   23    HE1  TRP   3           HE1      TRP   3  -1.306  -7.166   1.085
   24    HE3  TRP   3           HE3      TRP   3  -3.574  -2.937  -1.494
   25    HZ2  TRP   3           HZ2      TRP   3  -3.115  -5.630   2.675
   26    HZ3  TRP   3           HZ3      TRP   3  -4.570  -2.173   0.559
   27    HH2  TRP   3           HH2      TRP   3  -4.394  -3.512   2.653
   28    H    GLN   4           H        GLN   4  -1.034  -1.241  -2.842
   29    HA   GLN   4           HA       GLN   4  -3.401  -0.007  -2.753
   30   1HB   GLN   4          1HB       GLN   4  -2.369   2.042  -3.825
   31   2HB   GLN   4          2HB       GLN   4  -1.456   1.298  -2.553
   32   1HG   GLN   4          1HG       GLN   4   0.339   0.691  -3.888
   33   2HG   GLN   4          2HG       GLN   4  -0.624   0.264  -5.261
   34   1HE2  GLN   4          1HE2      GLN   4  -0.237   1.506  -6.936
   35   2HE2  GLN   4          2HE2      GLN   4   0.326   3.247  -6.840
   36    H    ARG   5           H        ARG   5  -2.339  -0.877  -6.003
   37    HA   ARG   5           HA       ARG   5  -5.225  -0.519  -6.872
   38   1HB   ARG   5          1HB       ARG   5  -3.195   1.155  -7.853
   39   2HB   ARG   5          2HB       ARG   5  -3.108  -0.095  -9.018
   40   1HG   ARG   5          1HG       ARG   5  -5.276   1.972  -8.412
   41   2HG   ARG   5          2HG       ARG   5  -4.508   1.587  -9.916
   42   1HD   ARG   5          1HD       ARG   5  -6.698   0.876 -10.323
   43   2HD   ARG   5          2HD       ARG   5  -5.888  -0.652  -9.935
   44    HE   ARG   5           HE       ARG   5  -6.984   0.675  -7.493
   45   1HH1  ARG   5          1HH1      ARG   5  -7.940  -1.350 -10.137
   46   2HH1  ARG   5          2HH1      ARG   5  -9.292  -2.122  -9.174
   47   1HH2  ARG   5          1HH2      ARG   5  -8.529  -0.176  -6.425
   48   2HH2  ARG   5          2HH2      ARG   5  -9.589  -1.467  -7.149
   49    H    ASN   6           H        ASN   6  -3.928  -2.906  -5.841
   50    HA   ASN   6           HA       ASN   6  -4.704  -4.877  -8.063
   51   1HB   ASN   6          1HB       ASN   6  -1.924  -4.639  -6.715
   52   2HB   ASN   6          2HB       ASN   6  -2.475  -6.161  -7.337
   53   1HD2  ASN   6          1HD2      ASN   6  -1.079  -3.208  -8.327
   54   2HD2  ASN   6          2HD2      ASN   6  -1.102  -3.652 -10.113
   55    H    ILE   7           H        ILE   7  -6.469  -4.697  -6.172
   56    HA   ILE   7           HA       ILE   7  -5.983  -7.162  -4.423
   57    HB   ILE   7           HB       ILE   7  -8.497  -5.918  -3.636
   58   1HG1  ILE   7          1HG1      ILE   7  -7.443  -3.726  -4.356
   59   2HG1  ILE   7          2HG1      ILE   7  -8.123  -3.875  -2.758
   60   1HG2  ILE   7          1HG2      ILE   7  -5.899  -6.453  -2.091
   61   2HG2  ILE   7          2HG2      ILE   7  -7.488  -6.110  -1.368
   62   3HG2  ILE   7          3HG2      ILE   7  -7.234  -7.599  -2.323
   63   1HD1  ILE   7          1HD1      ILE   7  -5.831  -2.630  -2.856
   64   2HD1  ILE   7          2HD1      ILE   7  -5.941  -3.961  -1.681
   65   3HD1  ILE   7          3HD1      ILE   7  -5.094  -4.220  -3.208
   66    H    ARG   8           H        ARG   8  -7.663  -6.430  -7.174
   67    HA   ARG   8           HA       ARG   8  -9.848  -8.498  -6.786
   68   1HB   ARG   8          1HB       ARG   8  -9.099  -6.840  -9.250
   69   2HB   ARG   8          2HB       ARG   8 -10.449  -7.944  -9.172
   70   1HG   ARG   8          1HG       ARG   8 -10.188  -5.500  -7.279
   71   2HG   ARG   8          2HG       ARG   8 -10.920  -5.428  -8.862
   72   1HD   ARG   8          1HD       ARG   8 -12.379  -7.556  -7.816
   73   2HD   ARG   8          2HD       ARG   8 -11.970  -6.785  -6.310
   74    HE   ARG   8           HE       ARG   8 -13.780  -5.755  -8.505
   75   1HH1  ARG   8          1HH1      ARG   8 -12.121  -4.801  -5.603
   76   2HH1  ARG   8          2HH1      ARG   8 -13.186  -3.326  -5.394
   77   1HH2  ARG   8          1HH2      ARG   8 -14.963  -4.080  -8.242
   78   2HH2  ARG   8          2HH2      ARG   8 -14.704  -2.946  -6.846
   79    H    LYS   9           H        LYS   9  -6.861  -8.152  -8.747
   80    HA   LYS   9           HA       LYS   9  -6.850 -11.023  -9.514
   81   1HB   LYS   9          1HB       LYS   9  -4.895 -10.711 -10.694
   82   2HB   LYS   9          2HB       LYS   9  -5.876  -9.327 -10.997
   83   1HG   LYS   9          1HG       LYS   9  -4.125  -7.968 -10.537
   84   2HG   LYS   9          2HG       LYS   9  -4.189  -8.407  -8.847
   85   1HD   LYS   9          1HD       LYS   9  -2.615 -10.317  -9.207
   86   2HD   LYS   9          2HD       LYS   9  -2.677 -10.096 -10.958
   87   1HE   LYS   9          1HE       LYS   9  -1.682  -7.764 -10.716
   88   2HE   LYS   9          2HE       LYS   9  -1.558  -7.995  -8.971
   89   1HZ   LYS   9          1HZ       LYS   9  -0.232  -9.805 -11.007
   90   2HZ   LYS   9          2HZ       LYS   9   0.565  -8.633 -10.180
   91   3HZ   LYS   9          3HZ       LYS   9  -0.048  -9.937  -9.385
   92    H    VAL  10           H        VAL  10  -5.337  -9.252  -6.848
   93    HA   VAL  10           HA       VAL  10  -4.281 -11.880  -5.663
   94    HB   VAL  10           HB       VAL  10  -3.924  -9.039  -4.556
   95   1HG1  VAL  10          1HG1      VAL  10  -2.602 -11.696  -3.638
   96   2HG1  VAL  10          2HG1      VAL  10  -2.261 -10.073  -2.989
   97   3HG1  VAL  10          3HG1      VAL  10  -3.852 -10.797  -2.747
   98   1HG2  VAL  10          1HG2      VAL  10  -1.492  -9.255  -5.168
   99   2HG2  VAL  10          2HG2      VAL  10  -1.815 -10.806  -5.987
  100   3HG2  VAL  10          3HG2      VAL  10  -2.510  -9.290  -6.614
  101    H    ARG  11           H        ARG  11  -6.542 -12.457  -5.822
  102    HA   ARG  11           HA       ARG  11  -8.647 -11.004  -4.550
  103   1HB   ARG  11          1HB       ARG  11  -8.682 -12.724  -6.516
  104   2HB   ARG  11          2HB       ARG  11  -8.845 -13.979  -5.305
  105   1HG   ARG  11          1HG       ARG  11 -10.988 -12.690  -4.467
  106   2HG   ARG  11          2HG       ARG  11 -10.755 -11.599  -5.818
  107   1HD   ARG  11          1HD       ARG  11 -10.681 -14.177  -7.098
  108   2HD   ARG  11          2HD       ARG  11 -11.734 -14.471  -5.749
  109    HE   ARG  11           HE       ARG  11 -13.452 -13.112  -6.760
  110   1HH1  ARG  11          1HH1      ARG  11 -10.444 -12.388  -8.340
  111   2HH1  ARG  11          2HH1      ARG  11 -11.278 -11.665  -9.795
  112   1HH2  ARG  11          1HH2      ARG  11 -14.382 -12.228  -8.401
  113   2HH2  ARG  11          2HH2      ARG  11 -13.409 -11.566  -9.791
  114   1HN   NH2  12          1HN       NH2  12  -8.095 -13.789  -1.556
  115   2HN   NH2  12          2HN       NH2  12  -7.174 -14.029  -3.133
  116   1H2   DAO  13          1H2       DAO  13   0.010   0.819   1.564
  117   2H2   DAO  13          2H2       DAO  13  -1.350   1.116   0.490
  118   1H3   DAO  13          1H3       DAO  13  -2.145  -0.460   2.189
  119   2H3   DAO  13          2H3       DAO  13  -2.031  -1.301   0.663
  120   1H4   DAO  13          1H4       DAO  13  -1.009  -2.925   1.921
  121   2H4   DAO  13          2H4       DAO  13   0.413  -2.001   1.527
  122   1H5   DAO  13          1H5       DAO  13   0.331  -0.845   3.764
  123   2H5   DAO  13          2H5       DAO  13   0.565  -2.576   3.812
  124   1H6   DAO  13          1H6       DAO  13  -1.653  -0.922   4.924
  125   2H6   DAO  13          2H6       DAO  13  -2.305  -2.267   4.015
  126   1H7   DAO  13          1H7       DAO  13  -1.242  -3.934   5.352
  127   2H7   DAO  13          2H7       DAO  13  -0.084  -2.833   6.067
  128   1H8   DAO  13          1H8       DAO  13  -3.117  -2.544   6.602
  129   2H8   DAO  13          2H8       DAO  13  -2.096  -3.640   7.523
  130   1H9   DAO  13          1H9       DAO  13  -1.601  -0.600   7.300
  131   2H9   DAO  13          2H9       DAO  13  -0.569  -1.728   8.173
  132   1H10  DAO  13          1H10      DAO  13  -3.528  -1.110   8.832
  133   2H10  DAO  13          2H10      DAO  13  -2.597  -2.377   9.617
  134   1H11  DAO  13          1H11      DAO  13  -2.515  -0.493  11.095
  135   2H11  DAO  13          2H11      DAO  13  -0.902  -0.663  10.423
  136   1H12  DAO  13          1H12      DAO  13  -3.027   1.401   9.475
  137   2H12  DAO  13          2H12      DAO  13  -1.613   1.752  10.499
  138   3H12  DAO  13          3H12      DAO  13  -1.379   1.262   8.807
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1   1.826   0.285   0.872
    2    HA   PHE   1           HA       PHE   1   2.146   0.702  -1.667
    3   1HB   PHE   1          1HB       PHE   1   4.497  -0.514  -0.095
    4   2HB   PHE   1          2HB       PHE   1   4.575   0.674  -1.360
    5    HD1  PHE   1           HD1      PHE   1   3.314   3.034  -0.812
    6    HD2  PHE   1           HD2      PHE   1   4.491   0.188   2.189
    7    HE1  PHE   1           HE1      PHE   1   3.168   4.785   0.923
    8    HE2  PHE   1           HE2      PHE   1   4.346   1.944   3.904
    9    HZ   PHE   1           HZ       PHE   1   3.677   4.239   3.280
   10    H    GLN   2           H        GLN   2   2.234  -2.513  -0.603
   11    HA   GLN   2           HA       GLN   2   3.460  -3.934  -2.901
   12   1HB   GLN   2          1HB       GLN   2   2.441  -5.917  -1.695
   13   2HB   GLN   2          2HB       GLN   2   3.642  -5.032  -0.798
   14   1HG   GLN   2          1HG       GLN   2   1.932  -3.958   0.642
   15   2HG   GLN   2          2HG       GLN   2   0.616  -4.610  -0.317
   16   1HE2  GLN   2          1HE2      GLN   2   1.116  -4.935   2.522
   17   2HE2  GLN   2          2HE2      GLN   2   1.229  -6.760   2.750
   18    H    TRP   3           H        TRP   3   0.183  -2.842  -2.087
   19    HA   TRP   3           HA       TRP   3  -0.682  -3.598  -4.840
   20   1HB   TRP   3          1HB       TRP   3  -2.601  -5.127  -4.025
   21   2HB   TRP   3          2HB       TRP   3  -0.982  -5.734  -4.073
   22    HD1  TRP   3           HD1      TRP   3  -0.480  -7.283  -2.240
   23    HE1  TRP   3           HE1      TRP   3  -1.160  -7.811   0.273
   24    HE3  TRP   3           HE3      TRP   3  -3.405  -3.190  -1.597
   25    HZ2  TRP   3           HZ2      TRP   3  -2.905  -6.496   2.107
   26    HZ3  TRP   3           HZ3      TRP   3  -4.540  -2.847   0.509
   27    HH2  TRP   3           HH2      TRP   3  -4.306  -4.469   2.381
   28    H    GLN   4           H        GLN   4  -0.861  -1.091  -3.109
   29    HA   GLN   4           HA       GLN   4  -3.338  -0.316  -2.538
   30   1HB   GLN   4          1HB       GLN   4  -2.696   1.807  -2.456
   31   2HB   GLN   4          2HB       GLN   4  -1.126   1.149  -2.729
   32   1HG   GLN   4          1HG       GLN   4  -2.933   2.612  -4.763
   33   2HG   GLN   4          2HG       GLN   4  -1.539   3.261  -3.951
   34   1HE2  GLN   4          1HE2      GLN   4  -0.774   0.159  -5.124
   35   2HE2  GLN   4          2HE2      GLN   4   0.183   0.819  -6.543
   36    H    ARG   5           H        ARG   5  -2.637  -0.565  -5.911
   37    HA   ARG   5           HA       ARG   5  -5.624  -0.274  -6.602
   38   1HB   ARG   5          1HB       ARG   5  -3.037   0.723  -7.980
   39   2HB   ARG   5          2HB       ARG   5  -4.343   0.274  -8.980
   40   1HG   ARG   5          1HG       ARG   5  -5.912   1.860  -7.814
   41   2HG   ARG   5          2HG       ARG   5  -4.666   2.319  -6.676
   42   1HD   ARG   5          1HD       ARG   5  -4.459   2.744  -9.741
   43   2HD   ARG   5          2HD       ARG   5  -5.102   3.948  -8.609
   44    HE   ARG   5           HE       ARG   5  -2.453   3.170  -7.618
   45   1HH1  ARG   5          1HH1      ARG   5  -3.786   4.910 -10.320
   46   2HH1  ARG   5          2HH1      ARG   5  -2.239   5.864 -10.544
   47   1HH2  ARG   5          1HH2      ARG   5  -0.787   4.223  -7.870
   48   2HH2  ARG   5          2HH2      ARG   5  -0.596   5.480  -9.193
   49    H    ASN   6           H        ASN   6  -4.012  -2.769  -5.804
   50    HA   ASN   6           HA       ASN   6  -4.805  -4.523  -8.210
   51   1HB   ASN   6          1HB       ASN   6  -2.045  -4.449  -6.834
   52   2HB   ASN   6          2HB       ASN   6  -2.524  -5.696  -7.948
   53   1HD2  ASN   6          1HD2      ASN   6  -3.241  -4.839 -10.188
   54   2HD2  ASN   6          2HD2      ASN   6  -2.171  -3.481 -10.818
   55    H    ILE   7           H        ILE   7  -6.429  -4.593  -6.066
   56    HA   ILE   7           HA       ILE   7  -5.732  -7.209  -4.681
   57    HB   ILE   7           HB       ILE   7  -8.330  -6.302  -3.738
   58   1HG1  ILE   7          1HG1      ILE   7  -7.570  -3.975  -4.234
   59   2HG1  ILE   7          2HG1      ILE   7  -8.047  -4.338  -2.595
   60   1HG2  ILE   7          1HG2      ILE   7  -5.651  -6.762  -2.302
   61   2HG2  ILE   7          2HG2      ILE   7  -7.240  -6.635  -1.517
   62   3HG2  ILE   7          3HG2      ILE   7  -6.891  -7.990  -2.624
   63   1HD1  ILE   7          1HD1      ILE   7  -5.905  -2.876  -2.794
   64   2HD1  ILE   7          2HD1      ILE   7  -5.751  -4.335  -1.784
   65   3HD1  ILE   7          3HD1      ILE   7  -5.067  -4.324  -3.415
   66    H    ARG   8           H        ARG   8  -7.659  -6.268  -7.296
   67    HA   ARG   8           HA       ARG   8  -9.406  -8.732  -7.162
   68   1HB   ARG   8          1HB       ARG   8  -9.228  -6.780  -9.494
   69   2HB   ARG   8          2HB       ARG   8 -10.386  -8.094  -9.276
   70   1HG   ARG   8          1HG       ARG   8 -11.366  -6.948  -7.252
   71   2HG   ARG   8          2HG       ARG   8 -10.202  -5.638  -7.427
   72   1HD   ARG   8          1HD       ARG   8 -11.155  -5.150  -9.771
   73   2HD   ARG   8          2HD       ARG   8 -12.424  -6.363  -9.452
   74    HE   ARG   8           HE       ARG   8 -12.333  -4.554  -7.163
   75   1HH1  ARG   8          1HH1      ARG   8 -13.267  -4.406 -10.513
   76   2HH1  ARG   8          2HH1      ARG   8 -14.363  -2.970 -10.223
   77   1HH2  ARG   8          1HH2      ARG   8 -13.571  -2.904  -6.876
   78   2HH2  ARG   8          2HH2      ARG   8 -14.510  -2.176  -8.253
   79    H    LYS   9           H        LYS   9  -6.271  -8.195  -7.953
   80    HA   LYS   9           HA       LYS   9  -5.954 -10.736  -9.559
   81   1HB   LYS   9          1HB       LYS   9  -3.820  -9.046  -8.110
   82   2HB   LYS   9          2HB       LYS   9  -3.481 -10.522  -8.975
   83   1HG   LYS   9          1HG       LYS   9  -4.527  -7.922 -10.252
   84   2HG   LYS   9          2HG       LYS   9  -2.869  -8.456 -10.213
   85   1HD   LYS   9          1HD       LYS   9  -3.117  -9.649 -12.146
   86   2HD   LYS   9          2HD       LYS   9  -4.216 -10.720 -11.349
   87   1HE   LYS   9          1HE       LYS   9  -5.472 -10.016 -13.223
   88   2HE   LYS   9          2HE       LYS   9  -6.166  -9.078 -11.904
   89   1HZ   LYS   9          1HZ       LYS   9  -5.640  -7.581 -13.825
   90   2HZ   LYS   9          2HZ       LYS   9  -4.610  -7.189 -12.601
   91   3HZ   LYS   9          3HZ       LYS   9  -4.075  -8.079 -13.861
   92    H    VAL  10           H        VAL  10  -5.514  -9.600  -6.161
   93    HA   VAL  10           HA       VAL  10  -5.028 -12.449  -5.185
   94    HB   VAL  10           HB       VAL  10  -4.845  -9.802  -3.627
   95   1HG1  VAL  10          1HG1      VAL  10  -5.328 -11.767  -2.107
   96   2HG1  VAL  10          2HG1      VAL  10  -3.941 -12.651  -2.781
   97   3HG1  VAL  10          3HG1      VAL  10  -3.692 -11.154  -1.849
   98   1HG2  VAL  10          1HG2      VAL  10  -2.350 -10.140  -3.624
   99   2HG2  VAL  10          2HG2      VAL  10  -2.518 -11.555  -4.694
  100   3HG2  VAL  10          3HG2      VAL  10  -2.945  -9.929  -5.274
  101    H    ARG  11           H        ARG  11  -7.215 -12.826  -5.972
  102    HA   ARG  11           HA       ARG  11  -9.558 -11.580  -4.815
  103   1HB   ARG  11          1HB       ARG  11  -9.221 -14.165  -6.457
  104   2HB   ARG  11          2HB       ARG  11 -10.778 -13.545  -5.964
  105   1HG   ARG  11          1HG       ARG  11 -10.284 -11.319  -7.091
  106   2HG   ARG  11          2HG       ARG  11  -8.756 -11.978  -7.679
  107   1HD   ARG  11          1HD       ARG  11  -9.973 -13.744  -8.994
  108   2HD   ARG  11          2HD       ARG  11 -11.517 -13.230  -8.306
  109    HE   ARG  11           HE       ARG  11  -9.726 -11.215  -9.809
  110   1HH1  ARG  11          1HH1      ARG  11 -12.871 -12.714  -9.547
  111   2HH1  ARG  11          2HH1      ARG  11 -13.604 -11.556 -10.754
  112   1HH2  ARG  11          1HH2      ARG  11 -10.554 -10.045 -11.274
  113   2HH2  ARG  11          2HH2      ARG  11 -12.329 -10.124 -11.694
  114   1HN   NH2  12          1HN       NH2  12  -9.956 -13.442  -1.731
  115   2HN   NH2  12          2HN       NH2  12  -9.540 -11.814  -2.474
  116   1H2   DAO  13          1H2       DAO  13  -0.265   0.415   1.732
  117   2H2   DAO  13          2H2       DAO  13  -1.528   0.595   0.525
  118   1H3   DAO  13          1H3       DAO  13  -2.367  -1.051   2.061
  119   2H3   DAO  13          2H3       DAO  13  -1.961  -1.900   0.598
  120   1H4   DAO  13          1H4       DAO  13  -0.598  -3.324   1.675
  121   2H4   DAO  13          2H4       DAO  13   0.445  -2.049   2.263
  122   1H5   DAO  13          1H5       DAO  13  -0.709  -3.616   4.028
  123   2H5   DAO  13          2H5       DAO  13  -2.214  -2.811   3.648
  124   1H6   DAO  13          1H6       DAO  13   0.319  -1.694   4.981
  125   2H6   DAO  13          2H6       DAO  13  -0.749  -0.548   4.201
  126   1H7   DAO  13          1H7       DAO  13  -1.828  -2.553   6.287
  127   2H7   DAO  13          2H7       DAO  13  -1.071  -1.044   6.770
  128   1H8   DAO  13          1H8       DAO  13  -2.694   0.315   5.512
  129   2H8   DAO  13          2H8       DAO  13  -3.457  -1.094   4.803
  130   1H9   DAO  13          1H9       DAO  13  -4.646   0.048   6.794
  131   2H9   DAO  13          2H9       DAO  13  -3.393  -0.577   7.856
  132   1H10  DAO  13          1H10      DAO  13  -5.211  -2.321   6.046
  133   2H10  DAO  13          2H10      DAO  13  -4.019  -2.952   7.183
  134   1H11  DAO  13          1H11      DAO  13  -5.284  -1.901   9.111
  135   2H11  DAO  13          2H11      DAO  13  -6.457  -1.219   7.983
  136   1H12  DAO  13          1H12      DAO  13  -5.952  -4.255   8.387
  137   2H12  DAO  13          2H12      DAO  13  -7.349  -3.334   8.993
  138   3H12  DAO  13          3H12      DAO  13  -7.131  -3.560   7.243
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1   2.211  -0.166   0.452
    2    HA   PHE   1           HA       PHE   1   1.876   0.649  -2.381
    3   1HB   PHE   1          1HB       PHE   1   4.385   0.634  -2.302
    4   2HB   PHE   1          2HB       PHE   1   3.642   1.731  -1.176
    5    HD1  PHE   1           HD1      PHE   1   4.081   1.592   1.214
    6    HD2  PHE   1           HD2      PHE   1   5.486  -1.547  -1.370
    7    HE1  PHE   1           HE1      PHE   1   5.440   0.680   3.051
    8    HE2  PHE   1           HE2      PHE   1   6.839  -2.450   0.482
    9    HZ   PHE   1           HZ       PHE   1   6.815  -1.341   2.693
   10    H    GLN   2           H        GLN   2   1.992  -2.295  -0.696
   11    HA   GLN   2           HA       GLN   2   3.281  -4.010  -2.785
   12   1HB   GLN   2          1HB       GLN   2   2.374  -5.853  -1.298
   13   2HB   GLN   2          2HB       GLN   2   3.619  -4.835  -0.621
   14   1HG   GLN   2          1HG       GLN   2   2.018  -3.614   0.793
   15   2HG   GLN   2          2HG       GLN   2   0.637  -4.366   0.023
   16   1HE2  GLN   2          1HE2      GLN   2   2.691  -4.580   2.682
   17   2HE2  GLN   2          2HE2      GLN   2   2.234  -6.304   3.146
   18    H    TRP   3           H        TRP   3   0.024  -2.860  -2.058
   19    HA   TRP   3           HA       TRP   3  -0.853  -3.836  -4.721
   20   1HB   TRP   3          1HB       TRP   3  -2.898  -5.135  -3.747
   21   2HB   TRP   3          2HB       TRP   3  -1.329  -5.877  -3.830
   22    HD1  TRP   3           HD1      TRP   3  -0.679  -7.236  -1.870
   23    HE1  TRP   3           HE1      TRP   3  -1.197  -7.471   0.717
   24    HE3  TRP   3           HE3      TRP   3  -3.588  -3.104  -1.500
   25    HZ2  TRP   3           HZ2      TRP   3  -2.963  -6.070   2.465
   26    HZ3  TRP   3           HZ3      TRP   3  -4.605  -2.545   0.630
   27    HH2  TRP   3           HH2      TRP   3  -4.321  -4.005   2.616
   28    H    GLN   4           H        GLN   4  -0.734  -1.191  -3.440
   29    HA   GLN   4           HA       GLN   4  -3.272  -0.221  -2.783
   30   1HB   GLN   4          1HB       GLN   4  -2.462   1.933  -2.857
   31   2HB   GLN   4          2HB       GLN   4  -1.079   0.957  -2.496
   32   1HG   GLN   4          1HG       GLN   4  -1.711   2.523  -5.064
   33   2HG   GLN   4          2HG       GLN   4  -0.417   2.778  -3.932
   34   1HE2  GLN   4          1HE2      GLN   4  -1.483   0.790  -6.457
   35   2HE2  GLN   4          2HE2      GLN   4   0.121   0.029  -6.871
   36    H    ARG   5           H        ARG   5  -2.563  -1.016  -5.986
   37    HA   ARG   5           HA       ARG   5  -5.462  -0.382  -6.686
   38   1HB   ARG   5          1HB       ARG   5  -3.035   0.119  -8.548
   39   2HB   ARG   5          2HB       ARG   5  -4.643  -0.059  -9.145
   40   1HG   ARG   5          1HG       ARG   5  -5.278   1.887  -7.387
   41   2HG   ARG   5          2HG       ARG   5  -3.570   2.234  -7.418
   42   1HD   ARG   5          1HD       ARG   5  -5.487   2.171  -9.852
   43   2HD   ARG   5          2HD       ARG   5  -4.932   3.629  -9.014
   44    HE   ARG   5           HE       ARG   5  -2.542   2.218  -9.865
   45   1HH1  ARG   5          1HH1      ARG   5  -5.223   3.852 -11.369
   46   2HH1  ARG   5          2HH1      ARG   5  -4.252   4.250 -12.866
   47   1HH2  ARG   5          1HH2      ARG   5  -1.455   2.703 -11.584
   48   2HH2  ARG   5          2HH2      ARG   5  -2.220   3.620 -12.958
   49    H    ASN   6           H        ASN   6  -3.999  -2.892  -5.726
   50    HA   ASN   6           HA       ASN   6  -4.881  -4.777  -7.999
   51   1HB   ASN   6          1HB       ASN   6  -2.085  -4.716  -6.709
   52   2HB   ASN   6          2HB       ASN   6  -2.650  -6.022  -7.711
   53   1HD2  ASN   6          1HD2      ASN   6  -3.562  -5.131  -9.978
   54   2HD2  ASN   6          2HD2      ASN   6  -2.363  -3.969 -10.732
   55    H    ILE   7           H        ILE   7  -6.499  -4.685  -5.938
   56    HA   ILE   7           HA       ILE   7  -5.974  -7.330  -4.513
   57    HB   ILE   7           HB       ILE   7  -8.499  -6.299  -3.569
   58   1HG1  ILE   7          1HG1      ILE   7  -7.686  -3.994  -4.151
   59   2HG1  ILE   7          2HG1      ILE   7  -8.224  -4.306  -2.523
   60   1HG2  ILE   7          1HG2      ILE   7  -7.095  -7.966  -2.416
   61   2HG2  ILE   7          2HG2      ILE   7  -5.825  -6.755  -2.137
   62   3HG2  ILE   7          3HG2      ILE   7  -7.412  -6.572  -1.350
   63   1HD1  ILE   7          1HD1      ILE   7  -6.089  -2.857  -2.647
   64   2HD1  ILE   7          2HD1      ILE   7  -5.935  -4.308  -1.633
   65   3HD1  ILE   7          3HD1      ILE   7  -5.216  -4.290  -3.250
   66    H    ARG   8           H        ARG   8  -7.685  -6.326  -7.199
   67    HA   ARG   8           HA       ARG   8  -9.730  -8.533  -7.087
   68   1HB   ARG   8          1HB       ARG   8  -8.970  -6.717  -9.447
   69   2HB   ARG   8          2HB       ARG   8 -10.235  -7.937  -9.480
   70   1HG   ARG   8          1HG       ARG   8 -11.512  -6.753  -7.664
   71   2HG   ARG   8          2HG       ARG   8 -10.245  -5.535  -7.540
   72   1HD   ARG   8          1HD       ARG   8 -10.638  -4.890  -9.983
   73   2HD   ARG   8          2HD       ARG   8 -11.984  -6.054 -10.050
   74    HE   ARG   8           HE       ARG   8 -12.469  -4.375  -7.730
   75   1HH1  ARG   8          1HH1      ARG   8 -12.343  -3.941 -11.180
   76   2HH1  ARG   8          2HH1      ARG   8 -13.448  -2.485 -11.113
   77   1HH2  ARG   8          1HH2      ARG   8 -13.718  -2.717  -7.689
   78   2HH2  ARG   8          2HH2      ARG   8 -14.179  -1.844  -9.216
   79    H    LYS   9           H        LYS   9  -6.550  -8.043  -8.611
   80    HA   LYS   9           HA       LYS   9  -6.427 -10.895  -9.501
   81   1HB   LYS   9          1HB       LYS   9  -4.168 -10.607 -10.157
   82   2HB   LYS   9          2HB       LYS   9  -5.148  -9.330 -10.826
   83   1HG   LYS   9          1HG       LYS   9  -4.250  -7.675  -9.199
   84   2HG   LYS   9          2HG       LYS   9  -3.367  -8.899  -8.321
   85   1HD   LYS   9          1HD       LYS   9  -2.864  -8.187 -11.286
   86   2HD   LYS   9          2HD       LYS   9  -2.002  -7.438  -9.972
   87   1HE   LYS   9          1HE       LYS   9  -1.905 -10.482 -10.596
   88   2HE   LYS   9          2HE       LYS   9  -0.741  -9.307 -11.179
   89   1HZ   LYS   9          1HZ       LYS   9  -0.184  -8.744  -8.807
   90   2HZ   LYS   9          2HZ       LYS   9  -1.260  -9.849  -8.254
   91   3HZ   LYS   9          3HZ       LYS   9   0.072 -10.344  -9.078
   92    H    VAL  10           H        VAL  10  -5.413  -9.202  -6.556
   93    HA   VAL  10           HA       VAL  10  -4.331 -11.825  -5.381
   94    HB   VAL  10           HB       VAL  10  -4.276  -9.058  -4.066
   95   1HG1  VAL  10          1HG1      VAL  10  -2.678 -10.126  -2.435
   96   2HG1  VAL  10          2HG1      VAL  10  -4.247 -10.934  -2.390
   97   3HG1  VAL  10          3HG1      VAL  10  -2.884 -11.703  -3.235
   98   1HG2  VAL  10          1HG2      VAL  10  -2.666  -9.024  -5.972
   99   2HG2  VAL  10          2HG2      VAL  10  -1.784  -9.077  -4.444
  100   3HG2  VAL  10          3HG2      VAL  10  -1.932 -10.558  -5.428
  101    H    ARG  11           H        ARG  11  -6.473 -12.534  -5.809
  102    HA   ARG  11           HA       ARG  11  -8.805 -11.233  -5.022
  103   1HB   ARG  11          1HB       ARG  11  -8.182 -13.382  -6.673
  104   2HB   ARG  11          2HB       ARG  11  -9.066 -14.244  -5.461
  105   1HG   ARG  11          1HG       ARG  11 -10.096 -11.755  -6.996
  106   2HG   ARG  11          2HG       ARG  11 -10.283 -13.407  -7.556
  107   1HD   ARG  11          1HD       ARG  11 -11.644 -13.957  -5.466
  108   2HD   ARG  11          2HD       ARG  11 -11.546 -12.247  -4.979
  109    HE   ARG  11           HE       ARG  11 -12.451 -12.172  -7.706
  110   1HH1  ARG  11          1HH1      ARG  11 -13.711 -13.508  -4.757
  111   2HH1  ARG  11          2HH1      ARG  11 -15.431 -13.465  -5.383
  112   1HH2  ARG  11          1HH2      ARG  11 -14.402 -12.134  -8.388
  113   2HH2  ARG  11          2HH2      ARG  11 -15.781 -12.709  -7.350
  114   1HN   NH2  12          1HN       NH2  12  -8.728 -13.547  -1.656
  115   2HN   NH2  12          2HN       NH2  12  -7.387 -13.752  -2.899
  116   1H2   DAO  13          1H2       DAO  13  -0.014   0.367   1.752
  117   2H2   DAO  13          2H2       DAO  13  -1.452   0.594   0.770
  118   1H3   DAO  13          1H3       DAO  13  -2.029  -1.015   2.517
  119   2H3   DAO  13          2H3       DAO  13  -2.009  -1.829   0.976
  120   1H4   DAO  13          1H4       DAO  13  -0.695  -3.416   1.842
  121   2H4   DAO  13          2H4       DAO  13   0.639  -2.288   1.867
  122   1H5   DAO  13          1H5       DAO  13   0.196  -3.554   4.022
  123   2H5   DAO  13          2H5       DAO  13  -1.329  -2.704   4.211
  124   1H6   DAO  13          1H6       DAO  13   1.436  -1.309   4.031
  125   2H6   DAO  13          2H6       DAO  13  -0.101  -0.500   4.339
  126   1H7   DAO  13          1H7       DAO  13  -0.367  -1.904   6.470
  127   2H7   DAO  13          2H7       DAO  13   1.211  -2.631   6.167
  128   1H8   DAO  13          1H8       DAO  13   2.272  -0.316   6.232
  129   2H8   DAO  13          2H8       DAO  13   0.703   0.397   6.573
  130   1H9   DAO  13          1H9       DAO  13   2.141   0.144   8.595
  131   2H9   DAO  13          2H9       DAO  13   2.217  -1.597   8.390
  132   1H10  DAO  13          1H10      DAO  13  -0.474  -0.137   8.752
  133   2H10  DAO  13          2H10      DAO  13  -0.180  -1.860   8.917
  134   1H11  DAO  13          1H11      DAO  13   0.909   0.351  10.791
  135   2H11  DAO  13          2H11      DAO  13  -0.493  -0.656  11.107
  136   1H12  DAO  13          1H12      DAO  13   0.984  -2.737  11.152
  137   2H12  DAO  13          2H12      DAO  13   2.413  -1.703  10.888
  138   3H12  DAO  13          3H12      DAO  13   1.457  -1.533  12.375
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1   1.362   0.696   1.047
    2    HA   PHE   1           HA       PHE   1   1.543   0.952  -1.520
    3   1HB   PHE   1          1HB       PHE   1   4.110   0.039  -0.100
    4   2HB   PHE   1          2HB       PHE   1   3.912   1.276  -1.288
    5    HD1  PHE   1           HD1      PHE   1   4.400   0.634   2.155
    6    HD2  PHE   1           HD2      PHE   1   2.312   3.400  -0.396
    7    HE1  PHE   1           HE1      PHE   1   4.182   2.206   4.029
    8    HE2  PHE   1           HE2      PHE   1   2.097   4.963   1.501
    9    HZ   PHE   1           HZ       PHE   1   3.021   4.364   3.715
   10    H    GLN   2           H        GLN   2   2.054  -2.109  -0.175
   11    HA   GLN   2           HA       GLN   2   3.297  -3.767  -2.254
   12   1HB   GLN   2          1HB       GLN   2   2.273  -5.574  -0.849
   13   2HB   GLN   2          2HB       GLN   2   3.345  -4.506   0.013
   14   1HG   GLN   2          1HG       GLN   2   1.353  -3.298   1.061
   15   2HG   GLN   2          2HG       GLN   2   0.255  -4.308   0.169
   16   1HE2  GLN   2          1HE2      GLN   2   2.070  -4.059   3.044
   17   2HE2  GLN   2          2HE2      GLN   2   1.708  -5.773   3.615
   18    H    TRP   3           H        TRP   3  -0.014  -2.594  -1.759
   19    HA   TRP   3           HA       TRP   3  -0.698  -3.676  -4.453
   20   1HB   TRP   3          1HB       TRP   3  -2.760  -4.960  -3.565
   21   2HB   TRP   3          2HB       TRP   3  -1.177  -5.659  -3.429
   22    HD1  TRP   3           HD1      TRP   3  -0.798  -6.896  -1.349
   23    HE1  TRP   3           HE1      TRP   3  -1.686  -7.045   1.152
   24    HE3  TRP   3           HE3      TRP   3  -3.653  -2.717  -1.533
   25    HZ2  TRP   3           HZ2      TRP   3  -3.627  -5.522   2.592
   26    HZ3  TRP   3           HZ3      TRP   3  -5.005  -2.099   0.382
   27    HH2  TRP   3           HH2      TRP   3  -4.986  -3.457   2.461
   28    H    GLN   4           H        GLN   4  -0.760  -0.944  -3.298
   29    HA   GLN   4           HA       GLN   4  -3.372  -0.016  -3.030
   30   1HB   GLN   4          1HB       GLN   4  -2.653   2.151  -3.214
   31   2HB   GLN   4          2HB       GLN   4  -1.264   1.297  -2.626
   32   1HG   GLN   4          1HG       GLN   4  -1.700   2.408  -5.489
   33   2HG   GLN   4          2HG       GLN   4  -0.735   3.127  -4.232
   34   1HE2  GLN   4          1HE2      GLN   4  -0.904   0.208  -6.097
   35   2HE2  GLN   4          2HE2      GLN   4   0.905   0.047  -6.310
   36    H    ARG   5           H        ARG   5  -2.405  -1.174  -6.004
   37    HA   ARG   5           HA       ARG   5  -5.108  -0.421  -7.150
   38   1HB   ARG   5          1HB       ARG   5  -2.511   0.371  -8.328
   39   2HB   ARG   5          2HB       ARG   5  -3.150  -0.830  -9.366
   40   1HG   ARG   5          1HG       ARG   5  -4.947   1.503  -8.391
   41   2HG   ARG   5          2HG       ARG   5  -3.699   1.810  -9.559
   42   1HD   ARG   5          1HD       ARG   5  -5.882   1.534 -10.635
   43   2HD   ARG   5          2HD       ARG   5  -4.686   0.392 -11.258
   44    HE   ARG   5           HE       ARG   5  -5.780  -1.327  -9.510
   45   1HH1  ARG   5          1HH1      ARG   5  -7.571   0.938 -11.477
   46   2HH1  ARG   5          2HH1      ARG   5  -8.994  -0.203 -11.596
   47   1HH2  ARG   5          1HH2      ARG   5  -7.365  -2.542  -9.659
   48   2HH2  ARG   5          2HH2      ARG   5  -8.868  -2.103 -10.605
   49    H    ASN   6           H        ASN   6  -3.703  -2.983  -5.846
   50    HA   ASN   6           HA       ASN   6  -4.665  -5.005  -7.979
   51   1HB   ASN   6          1HB       ASN   6  -1.895  -4.878  -6.620
   52   2HB   ASN   6          2HB       ASN   6  -2.494  -6.311  -7.412
   53   1HD2  ASN   6          1HD2      ASN   6  -0.380  -4.029  -8.062
   54   2HD2  ASN   6          2HD2      ASN   6  -0.667  -3.922  -9.876
   55    H    ILE   7           H        ILE   7  -6.453  -4.980  -6.282
   56    HA   ILE   7           HA       ILE   7  -5.860  -7.228  -4.300
   57    HB   ILE   7           HB       ILE   7  -8.477  -6.077  -3.699
   58   1HG1  ILE   7          1HG1      ILE   7  -7.572  -3.896  -4.503
   59   2HG1  ILE   7          2HG1      ILE   7  -8.157  -3.965  -2.855
   60   1HG2  ILE   7          1HG2      ILE   7  -5.925  -6.397  -2.014
   61   2HG2  ILE   7          2HG2      ILE   7  -7.555  -6.082  -1.380
   62   3HG2  ILE   7          3HG2      ILE   7  -7.199  -7.614  -2.222
   63   1HD1  ILE   7          1HD1      ILE   7  -5.965  -2.631  -3.119
   64   2HD1  ILE   7          2HD1      ILE   7  -5.915  -3.940  -1.918
   65   3HD1  ILE   7          3HD1      ILE   7  -5.143  -4.172  -3.491
   66    H    ARG   8           H        ARG   8  -8.114  -6.446  -6.894
   67    HA   ARG   8           HA       ARG   8  -9.727  -8.938  -6.336
   68   1HB   ARG   8          1HB       ARG   8 -10.075  -6.802  -8.503
   69   2HB   ARG   8          2HB       ARG   8 -11.040  -8.269  -8.383
   70   1HG   ARG   8          1HG       ARG   8 -11.754  -7.680  -6.047
   71   2HG   ARG   8          2HG       ARG   8 -10.851  -6.179  -6.111
   72   1HD   ARG   8          1HD       ARG   8 -12.325  -5.249  -7.902
   73   2HD   ARG   8          2HD       ARG   8 -13.069  -6.812  -8.158
   74    HE   ARG   8           HE       ARG   8 -14.328  -6.678  -6.099
   75   1HH1  ARG   8          1HH1      ARG   8 -12.219  -3.922  -6.304
   76   2HH1  ARG   8          2HH1      ARG   8 -13.082  -3.070  -4.932
   77   1HH2  ARG   8          1HH2      ARG   8 -15.317  -5.662  -4.593
   78   2HH2  ARG   8          2HH2      ARG   8 -14.747  -4.034  -4.018
   79    H    LYS   9           H        LYS   9  -7.130  -8.013  -8.520
   80    HA   LYS   9           HA       LYS   9  -7.069 -10.758  -9.720
   81   1HB   LYS   9          1HB       LYS   9  -5.048 -10.272 -10.803
   82   2HB   LYS   9          2HB       LYS   9  -6.156  -8.976 -11.110
   83   1HG   LYS   9          1HG       LYS   9  -4.894  -7.352  -9.954
   84   2HG   LYS   9          2HG       LYS   9  -4.188  -8.462  -8.814
   85   1HD   LYS   9          1HD       LYS   9  -3.435  -8.433 -11.811
   86   2HD   LYS   9          2HD       LYS   9  -2.616  -7.469 -10.593
   87   1HE   LYS   9          1HE       LYS   9  -1.950  -9.543  -9.300
   88   2HE   LYS   9          2HE       LYS   9  -2.788 -10.571 -10.457
   89   1HZ   LYS   9          1HZ       LYS   9  -0.377 -10.363 -11.045
   90   2HZ   LYS   9          2HZ       LYS   9  -1.278  -9.698 -12.247
   91   3HZ   LYS   9          3HZ       LYS   9  -0.500  -8.729 -11.179
   92    H    VAL  10           H        VAL  10  -5.683  -9.281  -6.834
   93    HA   VAL  10           HA       VAL  10  -4.109 -11.837  -6.182
   94    HB   VAL  10           HB       VAL  10  -4.142  -9.167  -4.655
   95   1HG1  VAL  10          1HG1      VAL  10  -2.181 -10.099  -3.385
   96   2HG1  VAL  10          2HG1      VAL  10  -3.606 -11.109  -3.137
   97   3HG1  VAL  10          3HG1      VAL  10  -2.326 -11.652  -4.244
   98   1HG2  VAL  10          1HG2      VAL  10  -1.772  -8.852  -5.434
   99   2HG2  VAL  10          2HG2      VAL  10  -1.889 -10.306  -6.460
  100   3HG2  VAL  10          3HG2      VAL  10  -2.881  -8.866  -6.806
  101    H    ARG  11           H        ARG  11  -6.321 -12.712  -6.353
  102    HA   ARG  11           HA       ARG  11  -8.420 -11.700  -4.641
  103   1HB   ARG  11          1HB       ARG  11  -8.501 -12.657  -7.048
  104   2HB   ARG  11          2HB       ARG  11  -8.606 -14.255  -6.341
  105   1HG   ARG  11          1HG       ARG  11 -10.734 -13.569  -5.130
  106   2HG   ARG  11          2HG       ARG  11 -10.549 -11.917  -5.732
  107   1HD   ARG  11          1HD       ARG  11 -10.706 -12.765  -8.123
  108   2HD   ARG  11          2HD       ARG  11 -10.981 -14.416  -7.510
  109    HE   ARG  11           HE       ARG  11 -12.928 -12.770  -6.161
  110   1HH1  ARG  11          1HH1      ARG  11 -12.273 -13.647  -9.458
  111   2HH1  ARG  11          2HH1      ARG  11 -14.007 -13.357  -9.967
  112   1HH2  ARG  11          1HH2      ARG  11 -14.889 -12.447  -6.764
  113   2HH2  ARG  11          2HH2      ARG  11 -15.403 -12.707  -8.491
  114   1HN   NH2  12          1HN       NH2  12  -7.669 -15.241  -2.688
  115   2HN   NH2  12          2HN       NH2  12  -6.748 -14.906  -4.246
  116   1H2   DAO  13          1H2       DAO  13  -0.673   0.912   1.925
  117   2H2   DAO  13          2H2       DAO  13  -2.034   0.915   0.820
  118   1H3   DAO  13          1H3       DAO  13  -2.577  -0.506   2.768
  119   2H3   DAO  13          2H3       DAO  13  -2.541  -1.438   1.301
  120   1H4   DAO  13          1H4       DAO  13  -1.084  -2.900   2.103
  121   2H4   DAO  13          2H4       DAO  13   0.138  -1.695   2.402
  122   1H5   DAO  13          1H5       DAO  13  -0.703  -3.215   4.346
  123   2H5   DAO  13          2H5       DAO  13  -2.138  -2.225   4.434
  124   1H6   DAO  13          1H6       DAO  13  -0.189  -1.717   6.058
  125   2H6   DAO  13          2H6       DAO  13   0.764  -1.139   4.704
  126   1H7   DAO  13          1H7       DAO  13  -0.932   0.697   4.289
  127   2H7   DAO  13          2H7       DAO  13  -1.954   0.060   5.576
  128   1H8   DAO  13          1H8       DAO  13  -0.069   0.438   7.241
  129   2H8   DAO  13          2H8       DAO  13   0.929   1.134   5.976
  130   1H9   DAO  13          1H9       DAO  13  -0.348   2.750   7.556
  131   2H9   DAO  13          2H9       DAO  13  -1.842   2.260   6.779
  132   1H10  DAO  13          1H10      DAO  13   0.587   3.577   5.384
  133   2H10  DAO  13          2H10      DAO  13  -0.870   3.103   4.526
  134   1H11  DAO  13          1H11      DAO  13  -0.855   5.133   6.870
  135   2H11  DAO  13          2H11      DAO  13  -0.658   5.593   5.187
  136   1H12  DAO  13          1H12      DAO  13  -3.176   4.180   6.313
  137   2H12  DAO  13          2H12      DAO  13  -3.039   5.898   5.880
  138   3H12  DAO  13          3H12      DAO  13  -2.941   4.654   4.612
  Start of MODEL   11
    1   1H    PHE   1          1H        PHE   1   1.804   0.375   0.790
    2    HA   PHE   1           HA       PHE   1   2.202   0.987  -2.088
    3   1HB   PHE   1          1HB       PHE   1   4.718   0.864  -1.345
    4   2HB   PHE   1          2HB       PHE   1   3.705   2.232  -1.063
    5    HD1  PHE   1           HD1      PHE   1   3.723   3.304   1.018
    6    HD2  PHE   1           HD2      PHE   1   4.902  -0.832   0.858
    7    HE1  PHE   1           HE1      PHE   1   4.251   3.359   3.414
    8    HE2  PHE   1           HE2      PHE   1   5.426  -0.758   3.271
    9    HZ   PHE   1           HZ       PHE   1   5.094   1.334   4.549
   10    H    GLN   2           H        GLN   2   1.790  -1.777  -0.254
   11    HA   GLN   2           HA       GLN   2   3.429  -3.631  -1.967
   12   1HB   GLN   2          1HB       GLN   2   2.203  -5.389  -0.572
   13   2HB   GLN   2          2HB       GLN   2   3.424  -4.422   0.211
   14   1HG   GLN   2          1HG       GLN   2   1.769  -3.045   1.377
   15   2HG   GLN   2          2HG       GLN   2   0.431  -3.742   0.481
   16   1HE2  GLN   2          1HE2      GLN   2   1.400  -3.724   3.462
   17   2HE2  GLN   2          2HE2      GLN   2   1.126  -5.491   3.903
   18    H    TRP   3           H        TRP   3   0.093  -2.463  -1.845
   19    HA   TRP   3           HA       TRP   3  -0.405  -3.690  -4.510
   20   1HB   TRP   3          1HB       TRP   3  -2.440  -5.096  -3.680
   21   2HB   TRP   3          2HB       TRP   3  -0.819  -5.695  -3.526
   22    HD1  TRP   3           HD1      TRP   3  -0.533  -7.054  -1.520
   23    HE1  TRP   3           HE1      TRP   3  -1.340  -7.196   1.016
   24    HE3  TRP   3           HE3      TRP   3  -3.363  -2.845  -1.594
   25    HZ2  TRP   3           HZ2      TRP   3  -3.212  -5.657   2.526
   26    HZ3  TRP   3           HZ3      TRP   3  -4.631  -2.211   0.369
   27    HH2  TRP   3           HH2      TRP   3  -4.569  -3.582   2.443
   28    H    GLN   4           H        GLN   4  -0.766  -0.984  -3.261
   29    HA   GLN   4           HA       GLN   4  -3.246  -0.127  -2.942
   30   1HB   GLN   4          1HB       GLN   4  -2.654   2.026  -3.311
   31   2HB   GLN   4          2HB       GLN   4  -1.107   1.296  -3.069
   32   1HG   GLN   4          1HG       GLN   4  -2.314   2.209  -5.777
   33   2HG   GLN   4          2HG       GLN   4  -1.195   3.105  -4.797
   34   1HE2  GLN   4          1HE2      GLN   4  -0.688  -0.335  -5.545
   35   2HE2  GLN   4          2HE2      GLN   4   0.586   0.057  -6.805
   36    H    ARG   5           H        ARG   5  -2.375  -0.720  -6.277
   37    HA   ARG   5           HA       ARG   5  -5.326  -0.543  -7.094
   38   1HB   ARG   5          1HB       ARG   5  -2.649   0.076  -8.486
   39   2HB   ARG   5          2HB       ARG   5  -3.879  -0.540  -9.484
   40   1HG   ARG   5          1HG       ARG   5  -4.384   1.925  -7.664
   41   2HG   ARG   5          2HG       ARG   5  -3.615   2.036  -9.223
   42   1HD   ARG   5          1HD       ARG   5  -5.856   2.593  -9.697
   43   2HD   ARG   5          2HD       ARG   5  -5.644   0.956 -10.332
   44    HE   ARG   5           HE       ARG   5  -6.719   1.021  -7.519
   45   1HH1  ARG   5          1HH1      ARG   5  -7.699   1.229 -10.848
   46   2HH1  ARG   5          2HH1      ARG   5  -9.383   0.622 -10.476
   47   1HH2  ARG   5          1HH2      ARG   5  -8.629   0.317  -7.127
   48   2HH2  ARG   5          2HH2      ARG   5  -9.865   0.144  -8.455
   49    H    ASN   6           H        ASN   6  -3.748  -2.983  -5.893
   50    HA   ASN   6           HA       ASN   6  -4.614  -5.025  -8.046
   51   1HB   ASN   6          1HB       ASN   6  -1.879  -4.828  -6.629
   52   2HB   ASN   6          2HB       ASN   6  -2.400  -6.233  -7.523
   53   1HD2  ASN   6          1HD2      ASN   6  -0.261  -4.026  -7.990
   54   2HD2  ASN   6          2HD2      ASN   6  -0.534  -3.724  -9.785
   55    H    ILE   7           H        ILE   7  -6.397  -4.977  -6.289
   56    HA   ILE   7           HA       ILE   7  -5.803  -7.315  -4.411
   57    HB   ILE   7           HB       ILE   7  -8.332  -6.105  -3.618
   58   1HG1  ILE   7          1HG1      ILE   7  -7.402  -3.922  -4.411
   59   2HG1  ILE   7          2HG1      ILE   7  -7.930  -4.030  -2.746
   60   1HG2  ILE   7          1HG2      ILE   7  -7.287  -6.210  -1.358
   61   2HG2  ILE   7          2HG2      ILE   7  -7.017  -7.720  -2.265
   62   3HG2  ILE   7          3HG2      ILE   7  -5.702  -6.543  -2.089
   63   1HD1  ILE   7          1HD1      ILE   7  -4.945  -4.283  -3.487
   64   2HD1  ILE   7          2HD1      ILE   7  -5.722  -2.733  -3.062
   65   3HD1  ILE   7          3HD1      ILE   7  -5.659  -4.063  -1.884
   66    H    ARG   8           H        ARG   8  -8.091  -6.366  -6.898
   67    HA   ARG   8           HA       ARG   8  -9.815  -8.798  -6.418
   68   1HB   ARG   8          1HB       ARG   8  -9.956  -6.675  -8.625
   69   2HB   ARG   8          2HB       ARG   8 -11.030  -8.064  -8.484
   70   1HG   ARG   8          1HG       ARG   8 -11.794  -7.324  -6.215
   71   2HG   ARG   8          2HG       ARG   8 -10.781  -5.904  -6.290
   72   1HD   ARG   8          1HD       ARG   8 -12.190  -4.729  -7.765
   73   2HD   ARG   8          2HD       ARG   8 -12.569  -6.140  -8.706
   74    HE   ARG   8           HE       ARG   8 -14.407  -6.744  -7.290
   75   1HH1  ARG   8          1HH1      ARG   8 -12.694  -4.121  -5.789
   76   2HH1  ARG   8          2HH1      ARG   8 -14.069  -3.793  -4.625
   77   1HH2  ARG   8          1HH2      ARG   8 -15.963  -6.314  -5.998
   78   2HH2  ARG   8          2HH2      ARG   8 -15.822  -4.998  -4.752
   79    H    LYS   9           H        LYS   9  -7.072  -7.997  -8.401
   80    HA   LYS   9           HA       LYS   9  -7.099 -10.686  -9.739
   81   1HB   LYS   9          1HB       LYS   9  -5.062 -10.212 -10.788
   82   2HB   LYS   9          2HB       LYS   9  -6.087  -8.810 -10.972
   83   1HG   LYS   9          1HG       LYS   9  -4.768  -7.659  -9.071
   84   2HG   LYS   9          2HG       LYS   9  -3.692  -9.043  -9.005
   85   1HD   LYS   9          1HD       LYS   9  -4.144  -7.231 -11.466
   86   2HD   LYS   9          2HD       LYS   9  -2.835  -7.074 -10.336
   87   1HE   LYS   9          1HE       LYS   9  -1.511  -8.657 -11.274
   88   2HE   LYS   9          2HE       LYS   9  -2.772  -9.869 -11.296
   89   1HZ   LYS   9          1HZ       LYS   9  -3.688  -8.802 -13.368
   90   2HZ   LYS   9          2HZ       LYS   9  -2.506  -7.669 -13.353
   91   3HZ   LYS   9          3HZ       LYS   9  -2.125  -9.248 -13.614
   92    H    VAL  10           H        VAL  10  -5.557  -9.268  -6.848
   93    HA   VAL  10           HA       VAL  10  -4.223 -11.930  -6.155
   94    HB   VAL  10           HB       VAL  10  -4.113  -9.288  -4.591
   95   1HG1  VAL  10          1HG1      VAL  10  -2.171 -10.362  -3.374
   96   2HG1  VAL  10          2HG1      VAL  10  -3.656 -11.284  -3.130
   97   3HG1  VAL  10          3HG1      VAL  10  -2.429 -11.875  -4.272
   98   1HG2  VAL  10          1HG2      VAL  10  -1.732  -9.066  -5.383
   99   2HG2  VAL  10          2HG2      VAL  10  -1.946 -10.464  -6.470
  100   3HG2  VAL  10          3HG2      VAL  10  -2.864  -8.960  -6.730
  101    H    ARG  11           H        ARG  11  -6.436 -12.684  -6.309
  102    HA   ARG  11           HA       ARG  11  -8.538 -11.616  -4.673
  103   1HB   ARG  11          1HB       ARG  11  -8.583 -12.644  -7.017
  104   2HB   ARG  11          2HB       ARG  11  -8.639 -14.234  -6.290
  105   1HG   ARG  11          1HG       ARG  11 -10.808 -13.654  -5.145
  106   2HG   ARG  11          2HG       ARG  11 -10.728 -12.001  -5.718
  107   1HD   ARG  11          1HD       ARG  11 -10.944 -14.494  -7.544
  108   2HD   ARG  11          2HD       ARG  11 -12.310 -13.480  -7.037
  109    HE   ARG  11           HE       ARG  11 -10.304 -11.703  -8.232
  110   1HH1  ARG  11          1HH1      ARG  11 -12.451 -14.227  -9.308
  111   2HH1  ARG  11          2HH1      ARG  11 -12.429 -13.600 -11.028
  112   1HH2  ARG  11          1HH2      ARG  11 -10.303 -11.036 -10.112
  113   2HH2  ARG  11          2HH2      ARG  11 -11.251 -11.842 -11.457
  114   1HN   NH2  12          1HN       NH2  12  -7.897 -15.105  -2.565
  115   2HN   NH2  12          2HN       NH2  12  -6.973 -14.873  -4.141
  116   1H2   DAO  13          1H2       DAO  13  -0.672   1.264   1.322
  117   2H2   DAO  13          2H2       DAO  13  -1.870   1.069   0.053
  118   1H3   DAO  13          1H3       DAO  13  -2.608  -0.438   1.779
  119   2H3   DAO  13          2H3       DAO  13  -1.923  -1.433   0.524
  120   1H4   DAO  13          1H4       DAO  13  -0.881  -2.490   2.254
  121   2H4   DAO  13          2H4       DAO  13   0.335  -1.270   1.990
  122   1H5   DAO  13          1H5       DAO  13  -0.935   0.159   3.858
  123   2H5   DAO  13          2H5       DAO  13   0.124  -1.161   4.280
  124   1H6   DAO  13          1H6       DAO  13  -2.143  -2.668   4.164
  125   2H6   DAO  13          2H6       DAO  13  -1.556  -1.877   5.608
  126   1H7   DAO  13          1H7       DAO  13  -3.076   0.040   5.330
  127   2H7   DAO  13          2H7       DAO  13  -3.643  -0.545   3.768
  128   1H8   DAO  13          1H8       DAO  13  -4.617  -2.576   4.771
  129   2H8   DAO  13          2H8       DAO  13  -3.939  -2.226   6.349
  130   1H9   DAO  13          1H9       DAO  13  -6.436  -1.730   6.002
  131   2H9   DAO  13          2H9       DAO  13  -6.005  -0.386   4.956
  132   1H10  DAO  13          1H10      DAO  13  -5.035  -0.667   7.888
  133   2H10  DAO  13          2H10      DAO  13  -4.804   0.746   6.859
  134   1H11  DAO  13          1H11      DAO  13  -7.326   1.075   6.751
  135   2H11  DAO  13          2H11      DAO  13  -7.556  -0.360   7.753
  136   1H12  DAO  13          1H12      DAO  13  -6.063   2.208   8.650
  137   2H12  DAO  13          2H12      DAO  13  -7.686   1.696   9.170
  138   3H12  DAO  13          3H12      DAO  13  -6.262   0.747   9.654
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1   2.267   0.366   0.265
    2    HA   PHE   1           HA       PHE   1   2.235   0.998  -2.600
    3   1HB   PHE   1          1HB       PHE   1   4.679   0.656  -2.312
    4   2HB   PHE   1          2HB       PHE   1   3.988   1.853  -1.260
    5    HD1  PHE   1           HD1      PHE   1   5.496  -1.582  -1.277
    6    HD2  PHE   1           HD2      PHE   1   4.084   1.649   1.186
    7    HE1  PHE   1           HE1      PHE   1   6.632  -2.562   0.679
    8    HE2  PHE   1           HE2      PHE   1   5.223   0.659   3.127
    9    HZ   PHE   1           HZ       PHE   1   6.496  -1.445   2.882
   10    H    GLN   2           H        GLN   2   2.070  -1.988  -0.802
   11    HA   GLN   2           HA       GLN   2   3.324  -3.744  -2.877
   12   1HB   GLN   2          1HB       GLN   2   2.583  -5.560  -1.299
   13   2HB   GLN   2          2HB       GLN   2   3.781  -4.446  -0.694
   14   1HG   GLN   2          1HG       GLN   2   2.109  -3.278   0.738
   15   2HG   GLN   2          2HG       GLN   2   0.787  -4.198   0.051
   16   1HE2  GLN   2          1HE2      GLN   2   3.621  -4.394   2.170
   17   2HE2  GLN   2          2HE2      GLN   2   3.055  -5.963   2.954
   18    H    TRP   3           H        TRP   3   0.061  -2.754  -2.006
   19    HA   TRP   3           HA       TRP   3  -0.882  -3.839  -4.613
   20   1HB   TRP   3          1HB       TRP   3  -2.812  -5.206  -3.589
   21   2HB   TRP   3          2HB       TRP   3  -1.197  -5.859  -3.600
   22    HD1  TRP   3           HD1      TRP   3  -0.505  -7.036  -1.560
   23    HE1  TRP   3           HE1      TRP   3  -1.052  -7.150   1.035
   24    HE3  TRP   3           HE3      TRP   3  -3.547  -3.008  -1.460
   25    HZ2  TRP   3           HZ2      TRP   3  -2.896  -5.717   2.676
   26    HZ3  TRP   3           HZ3      TRP   3  -4.503  -2.287   0.628
   27    HH2  TRP   3           HH2      TRP   3  -4.249  -3.648   2.700
   28    H    GLN   4           H        GLN   4  -1.025  -1.221  -2.872
   29    HA   GLN   4           HA       GLN   4  -3.426  -0.038  -2.681
   30   1HB   GLN   4          1HB       GLN   4  -2.446   2.056  -3.720
   31   2HB   GLN   4          2HB       GLN   4  -1.512   1.301  -2.475
   32   1HG   GLN   4          1HG       GLN   4   0.300   0.831  -3.808
   33   2HG   GLN   4          2HG       GLN   4  -0.639   0.297  -5.161
   34   1HE2  GLN   4          1HE2      GLN   4  -0.360   1.513  -6.884
   35   2HE2  GLN   4          2HE2      GLN   4   0.146   3.273  -6.833
   36    H    ARG   5           H        ARG   5  -2.434  -0.868  -5.959
   37    HA   ARG   5           HA       ARG   5  -5.329  -0.468  -6.766
   38   1HB   ARG   5          1HB       ARG   5  -3.299   1.208  -7.782
   39   2HB   ARG   5          2HB       ARG   5  -3.310  -0.011  -8.988
   40   1HG   ARG   5          1HG       ARG   5  -5.493   1.964  -8.108
   41   2HG   ARG   5          2HG       ARG   5  -4.718   1.822  -9.660
   42   1HD   ARG   5          1HD       ARG   5  -6.861   1.013 -10.193
   43   2HD   ARG   5          2HD       ARG   5  -5.981  -0.471  -9.950
   44    HE   ARG   5           HE       ARG   5  -7.194  -0.908  -7.890
   45   1HH1  ARG   5          1HH1      ARG   5  -7.931   2.320  -8.943
   46   2HH1  ARG   5          2HH1      ARG   5  -9.180   2.551  -7.626
   47   1HH2  ARG   5          1HH2      ARG   5  -8.617  -0.617  -6.401
   48   2HH2  ARG   5          2HH2      ARG   5  -9.527   0.952  -6.266
   49    H    ASN   6           H        ASN   6  -4.055  -2.864  -5.795
   50    HA   ASN   6           HA       ASN   6  -4.582  -4.802  -8.110
   51   1HB   ASN   6          1HB       ASN   6  -1.905  -4.085  -6.795
   52   2HB   ASN   6          2HB       ASN   6  -2.158  -5.772  -6.991
   53   1HD2  ASN   6          1HD2      ASN   6  -1.372  -2.944  -8.743
   54   2HD2  ASN   6          2HD2      ASN   6  -1.289  -3.818 -10.358
   55    H    ILE   7           H        ILE   7  -6.295  -4.600  -5.864
   56    HA   ILE   7           HA       ILE   7  -5.818  -7.267  -4.481
   57    HB   ILE   7           HB       ILE   7  -8.323  -6.247  -3.509
   58   1HG1  ILE   7          1HG1      ILE   7  -7.521  -3.935  -4.172
   59   2HG1  ILE   7          2HG1      ILE   7  -8.113  -4.218  -2.559
   60   1HG2  ILE   7          1HG2      ILE   7  -5.628  -6.612  -2.095
   61   2HG2  ILE   7          2HG2      ILE   7  -7.210  -6.446  -1.303
   62   3HG2  ILE   7          3HG2      ILE   7  -6.872  -7.859  -2.337
   63   1HD1  ILE   7          1HD1      ILE   7  -5.949  -2.754  -2.681
   64   2HD1  ILE   7          2HD1      ILE   7  -5.890  -4.139  -1.568
   65   3HD1  ILE   7          3HD1      ILE   7  -5.083  -4.250  -3.134
   66    H    ARG   8           H        ARG   8  -7.514  -6.311  -7.193
   67    HA   ARG   8           HA       ARG   8  -9.701  -8.363  -6.939
   68   1HB   ARG   8          1HB       ARG   8  -8.900  -6.735  -9.417
   69   2HB   ARG   8          2HB       ARG   8 -10.284  -7.808  -9.310
   70   1HG   ARG   8          1HG       ARG   8 -11.348  -6.351  -7.532
   71   2HG   ARG   8          2HG       ARG   8  -9.935  -5.331  -7.510
   72   1HD   ARG   8          1HD       ARG   8 -11.380  -4.070  -8.821
   73   2HD   ARG   8          2HD       ARG   8 -10.326  -4.813 -10.034
   74    HE   ARG   8           HE       ARG   8 -12.686  -6.535  -9.612
   75   1HH1  ARG   8          1HH1      ARG   8 -11.878  -3.479 -11.069
   76   2HH1  ARG   8          2HH1      ARG   8 -13.359  -3.511 -12.141
   77   1HH2  ARG   8          1HH2      ARG   8 -14.371  -6.531 -10.838
   78   2HH2  ARG   8          2HH2      ARG   8 -14.686  -5.166 -11.998
   79    H    LYS   9           H        LYS   9  -6.595  -8.105  -8.670
   80    HA   LYS   9           HA       LYS   9  -6.665 -10.939  -9.556
   81   1HB   LYS   9          1HB       LYS   9  -4.511 -10.700 -10.467
   82   2HB   LYS   9          2HB       LYS   9  -5.428  -9.285 -10.855
   83   1HG   LYS   9          1HG       LYS   9  -3.489  -8.198 -10.327
   84   2HG   LYS   9          2HG       LYS   9  -4.143  -8.197  -8.702
   85   1HD   LYS   9          1HD       LYS   9  -2.812 -10.353  -8.218
   86   2HD   LYS   9          2HD       LYS   9  -2.180 -10.303  -9.862
   87   1HE   LYS   9          1HE       LYS   9  -1.137  -8.016  -9.399
   88   2HE   LYS   9          2HE       LYS   9  -1.772  -8.060  -7.754
   89   1HZ   LYS   9          1HZ       LYS   9   0.158 -10.092  -8.898
   90   2HZ   LYS   9          2HZ       LYS   9   0.562  -8.929  -7.810
   91   3HZ   LYS   9          3HZ       LYS   9  -0.440 -10.158  -7.375
   92    H    VAL  10           H        VAL  10  -5.478  -9.390  -6.615
   93    HA   VAL  10           HA       VAL  10  -4.617 -12.114  -5.484
   94    HB   VAL  10           HB       VAL  10  -4.456  -9.385  -4.084
   95   1HG1  VAL  10          1HG1      VAL  10  -4.554 -11.351  -2.481
   96   2HG1  VAL  10          2HG1      VAL  10  -3.165 -12.096  -3.298
   97   3HG1  VAL  10          3HG1      VAL  10  -2.981 -10.552  -2.430
   98   1HG2  VAL  10          1HG2      VAL  10  -2.793  -9.351  -5.926
   99   2HG2  VAL  10          2HG2      VAL  10  -1.957  -9.504  -4.377
  100   3HG2  VAL  10          3HG2      VAL  10  -2.141 -10.938  -5.427
  101    H    ARG  11           H        ARG  11  -6.908 -12.611  -6.037
  102    HA   ARG  11           HA       ARG  11  -9.081 -11.160  -4.822
  103   1HB   ARG  11          1HB       ARG  11  -9.036 -12.593  -6.991
  104   2HB   ARG  11          2HB       ARG  11  -9.421 -13.975  -5.995
  105   1HG   ARG  11          1HG       ARG  11 -11.420 -12.338  -5.103
  106   2HG   ARG  11          2HG       ARG  11 -11.088 -11.435  -6.565
  107   1HD   ARG  11          1HD       ARG  11 -11.924 -14.415  -6.380
  108   2HD   ARG  11          2HD       ARG  11 -12.995 -13.051  -6.742
  109    HE   ARG  11           HE       ARG  11 -10.743 -13.155  -8.675
  110   1HH1  ARG  11          1HH1      ARG  11 -13.817 -14.636  -7.992
  111   2HH1  ARG  11          2HH1      ARG  11 -14.021 -15.209  -9.717
  112   1HH2  ARG  11          1HH2      ARG  11 -10.988 -13.852 -10.624
  113   2HH2  ARG  11          2HH2      ARG  11 -12.475 -14.779 -11.120
  114   1HN   NH2  12          1HN       NH2  12  -9.528 -12.817  -1.672
  115   2HN   NH2  12          2HN       NH2  12  -9.099 -11.234  -2.498
  116   1H2   DAO  13          1H2       DAO  13   0.130   0.757   1.526
  117   2H2   DAO  13          2H2       DAO  13  -1.205   1.179   0.465
  118   1H3   DAO  13          1H3       DAO  13  -2.098  -0.422   2.083
  119   2H3   DAO  13          2H3       DAO  13  -2.018  -1.209   0.526
  120   1H4   DAO  13          1H4       DAO  13  -1.199  -2.882   1.862
  121   2H4   DAO  13          2H4       DAO  13   0.293  -2.200   1.296
  122   1H5   DAO  13          1H5       DAO  13  -0.794  -1.143   3.956
  123   2H5   DAO  13          2H5       DAO  13   0.874  -1.261   3.400
  124   1H6   DAO  13          1H6       DAO  13  -1.008  -3.559   4.261
  125   2H6   DAO  13          2H6       DAO  13   0.542  -3.887   3.500
  126   1H7   DAO  13          1H7       DAO  13   1.798  -2.848   5.328
  127   2H7   DAO  13          2H7       DAO  13   0.337  -2.190   6.069
  128   1H8   DAO  13          1H8       DAO  13  -0.522  -4.437   6.612
  129   2H8   DAO  13          2H8       DAO  13   0.769  -5.231   5.718
  130   1H9   DAO  13          1H9       DAO  13   1.389  -3.378   8.114
  131   2H9   DAO  13          2H9       DAO  13   2.486  -4.452   7.270
  132   1H10  DAO  13          1H10      DAO  13   0.652  -6.364   8.055
  133   2H10  DAO  13          2H10      DAO  13   2.053  -5.891   8.980
  134   1H11  DAO  13          1H11      DAO  13   0.215  -5.942  10.513
  135   2H11  DAO  13          2H11      DAO  13   0.708  -4.267  10.342
  136   1H12  DAO  13          1H12      DAO  13  -1.802  -4.501  10.371
  137   2H12  DAO  13          2H12      DAO  13  -1.277  -3.830   8.813
  138   3H12  DAO  13          3H12      DAO  13  -1.749  -5.546   8.931
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1   1.354   0.935   0.690
    2    HA   PHE   1           HA       PHE   1   1.552   1.205  -2.258
    3   1HB   PHE   1          1HB       PHE   1   3.992   1.382  -1.757
    4   2HB   PHE   1          2HB       PHE   1   3.031   2.611  -0.989
    5    HD1  PHE   1           HD1      PHE   1   4.994  -0.526  -0.284
    6    HD2  PHE   1           HD2      PHE   1   3.080   2.928   1.423
    7    HE1  PHE   1           HE1      PHE   1   6.041  -1.008   1.894
    8    HE2  PHE   1           HE2      PHE   1   4.139   2.436   3.588
    9    HZ   PHE   1           HZ       PHE   1   5.614   0.468   3.832
   10    H    GLN   2           H        GLN   2   1.420  -1.345  -0.033
   11    HA   GLN   2           HA       GLN   2   3.127  -3.363  -1.430
   12   1HB   GLN   2          1HB       GLN   2   1.892  -4.920   0.189
   13   2HB   GLN   2          2HB       GLN   2   3.027  -3.772   0.845
   14   1HG   GLN   2          1HG       GLN   2   1.218  -2.296   1.683
   15   2HG   GLN   2          2HG       GLN   2  -0.014  -3.238   0.874
   16   1HE2  GLN   2          1HE2      GLN   2   2.527  -3.510   3.395
   17   2HE2  GLN   2          2HE2      GLN   2   1.527  -4.696   4.392
   18    H    TRP   3           H        TRP   3  -0.201  -2.253  -1.655
   19    HA   TRP   3           HA       TRP   3  -0.529  -3.809  -4.170
   20   1HB   TRP   3          1HB       TRP   3  -2.741  -4.910  -3.258
   21   2HB   TRP   3          2HB       TRP   3  -1.198  -5.632  -2.994
   22    HD1  TRP   3           HD1      TRP   3  -0.896  -6.596  -0.699
   23    HE1  TRP   3           HE1      TRP   3  -2.048  -6.492   1.695
   24    HE3  TRP   3           HE3      TRP   3  -3.491  -2.318  -1.469
   25    HZ2  TRP   3           HZ2      TRP   3  -4.142  -4.887   2.752
   26    HZ3  TRP   3           HZ3      TRP   3  -5.143  -1.596   0.170
   27    HH2  TRP   3           HH2      TRP   3  -5.432  -2.821   2.303
   28    H    GLN   4           H        GLN   4  -0.718  -0.922  -3.482
   29    HA   GLN   4           HA       GLN   4  -3.366  -0.005  -3.473
   30   1HB   GLN   4          1HB       GLN   4  -2.609   2.147  -3.872
   31   2HB   GLN   4          2HB       GLN   4  -1.304   1.350  -3.053
   32   1HG   GLN   4          1HG       GLN   4  -1.453   2.246  -5.999
   33   2HG   GLN   4          2HG       GLN   4  -0.451   2.894  -4.731
   34   1HE2  GLN   4          1HE2      GLN   4  -0.840   0.256  -6.845
   35   2HE2  GLN   4          2HE2      GLN   4   0.867  -0.385  -6.727
   36    H    ARG   5           H        ARG   5  -2.166  -1.457  -6.203
   37    HA   ARG   5           HA       ARG   5  -4.812  -0.985  -7.609
   38   1HB   ARG   5          1HB       ARG   5  -2.019  -0.635  -8.871
   39   2HB   ARG   5          2HB       ARG   5  -3.278  -1.198  -9.875
   40   1HG   ARG   5          1HG       ARG   5  -3.416   1.481  -8.324
   41   2HG   ARG   5          2HG       ARG   5  -2.853   1.281  -9.959
   42   1HD   ARG   5          1HD       ARG   5  -5.030   2.034 -10.321
   43   2HD   ARG   5          2HD       ARG   5  -5.175   0.292 -10.590
   44    HE   ARG   5           HE       ARG   5  -5.740   1.043  -7.745
   45   1HH1  ARG   5          1HH1      ARG   5  -7.242   1.067 -10.889
   46   2HH1  ARG   5          2HH1      ARG   5  -8.918   0.897 -10.177
   47   1HH2  ARG   5          1HH2      ARG   5  -7.657   0.863  -6.973
   48   2HH2  ARG   5          2HH2      ARG   5  -9.121   0.791  -8.056
   49    H    ASN   6           H        ASN   6  -3.724  -3.220  -5.912
   50    HA   ASN   6           HA       ASN   6  -4.315  -5.549  -7.822
   51   1HB   ASN   6          1HB       ASN   6  -1.709  -5.040  -6.241
   52   2HB   ASN   6          2HB       ASN   6  -2.169  -6.641  -6.714
   53   1HD2  ASN   6          1HD2      ASN   6  -0.079  -4.509  -7.679
   54   2HD2  ASN   6          2HD2      ASN   6  -0.142  -4.892  -9.474
   55    H    ILE   7           H        ILE   7  -6.348  -5.543  -6.409
   56    HA   ILE   7           HA       ILE   7  -5.812  -7.349  -4.003
   57    HB   ILE   7           HB       ILE   7  -8.407  -6.027  -3.617
   58   1HG1  ILE   7          1HG1      ILE   7  -7.387  -4.020  -4.654
   59   2HG1  ILE   7          2HG1      ILE   7  -7.981  -3.853  -3.013
   60   1HG2  ILE   7          1HG2      ILE   7  -7.562  -5.809  -1.293
   61   2HG2  ILE   7          2HG2      ILE   7  -7.271  -7.446  -1.936
   62   3HG2  ILE   7          3HG2      ILE   7  -5.933  -6.288  -1.822
   63   1HD1  ILE   7          1HD1      ILE   7  -4.988  -4.286  -3.622
   64   2HD1  ILE   7          2HD1      ILE   7  -5.733  -2.684  -3.403
   65   3HD1  ILE   7          3HD1      ILE   7  -5.719  -3.873  -2.075
   66    H    ARG   8           H        ARG   8  -8.641  -6.616  -6.110
   67    HA   ARG   8           HA       ARG   8  -9.572  -9.456  -5.643
   68   1HB   ARG   8          1HB       ARG   8 -10.970  -7.319  -7.335
   69   2HB   ARG   8          2HB       ARG   8 -11.578  -8.907  -6.928
   70   1HG   ARG   8          1HG       ARG   8 -10.943  -7.770  -4.369
   71   2HG   ARG   8          2HG       ARG   8 -11.542  -6.403  -5.255
   72   1HD   ARG   8          1HD       ARG   8 -13.041  -9.091  -4.862
   73   2HD   ARG   8          2HD       ARG   8 -13.221  -7.657  -3.841
   74    HE   ARG   8           HE       ARG   8 -13.751  -6.890  -6.633
   75   1HH1  ARG   8          1HH1      ARG   8 -15.252  -8.559  -3.966
   76   2HH1  ARG   8          2HH1      ARG   8 -16.933  -8.190  -4.582
   77   1HH2  ARG   8          1HH2      ARG   8 -15.688  -6.493  -7.306
   78   2HH2  ARG   8          2HH2      ARG   8 -17.141  -7.081  -6.383
   79    H    LYS   9           H        LYS   9  -7.919  -7.722  -8.116
   80    HA   LYS   9           HA       LYS   9  -7.688 -10.046  -9.966
   81   1HB   LYS   9          1HB       LYS   9  -6.003  -8.802 -11.154
   82   2HB   LYS   9          2HB       LYS   9  -7.390  -7.792 -10.850
   83   1HG   LYS   9          1HG       LYS   9  -5.969  -6.824  -8.772
   84   2HG   LYS   9          2HG       LYS   9  -4.626  -7.680  -9.472
   85   1HD   LYS   9          1HD       LYS   9  -4.355  -5.550 -10.317
   86   2HD   LYS   9          2HD       LYS   9  -5.019  -6.397 -11.695
   87   1HE   LYS   9          1HE       LYS   9  -7.266  -5.358 -11.364
   88   2HE   LYS   9          2HE       LYS   9  -6.827  -4.775  -9.750
   89   1HZ   LYS   9          1HZ       LYS   9  -5.396  -3.873 -12.247
   90   2HZ   LYS   9          2HZ       LYS   9  -6.536  -2.968 -11.463
   91   3HZ   LYS   9          3HZ       LYS   9  -5.110  -3.358 -10.710
   92    H    VAL  10           H        VAL  10  -5.715  -8.884  -7.182
   93    HA   VAL  10           HA       VAL  10  -3.941 -11.388  -7.435
   94    HB   VAL  10           HB       VAL  10  -3.385  -8.792  -5.882
   95   1HG1  VAL  10          1HG1      VAL  10  -2.453 -10.775  -4.604
   96   2HG1  VAL  10          2HG1      VAL  10  -1.632 -11.356  -6.068
   97   3HG1  VAL  10          3HG1      VAL  10  -1.153  -9.816  -5.315
   98   1HG2  VAL  10          1HG2      VAL  10  -2.861  -8.568  -8.346
   99   2HG2  VAL  10          2HG2      VAL  10  -1.343  -8.682  -7.450
  100   3HG2  VAL  10          3HG2      VAL  10  -1.956 -10.093  -8.336
  101    H    ARG  11           H        ARG  11  -5.924 -12.406  -6.904
  102    HA   ARG  11           HA       ARG  11  -7.418 -11.749  -4.524
  103   1HB   ARG  11          1HB       ARG  11  -8.142 -12.717  -6.859
  104   2HB   ARG  11          2HB       ARG  11  -7.817 -14.301  -6.189
  105   1HG   ARG  11          1HG       ARG  11  -9.501 -13.694  -4.284
  106   2HG   ARG  11          2HG       ARG  11  -9.847 -12.200  -5.141
  107   1HD   ARG  11          1HD       ARG  11 -10.263 -15.057  -6.253
  108   2HD   ARG  11          2HD       ARG  11 -11.531 -14.091  -5.564
  109    HE   ARG  11           HE       ARG  11 -10.127 -13.617  -8.246
  110   1HH1  ARG  11          1HH1      ARG  11 -12.586 -12.484  -6.078
  111   2HH1  ARG  11          2HH1      ARG  11 -13.405 -11.515  -7.402
  112   1HH2  ARG  11          1HH2      ARG  11 -11.047 -12.505  -9.698
  113   2HH2  ARG  11          2HH2      ARG  11 -12.538 -11.522  -9.355
  114   1HN   NH2  12          1HN       NH2  12  -5.589 -15.149  -3.136
  115   2HN   NH2  12          2HN       NH2  12  -5.276 -14.653  -4.881
  116   1H2   DAO  13          1H2       DAO  13  -1.477   1.840   0.915
  117   2H2   DAO  13          2H2       DAO  13  -2.683   1.123  -0.140
  118   1H3   DAO  13          1H3       DAO  13  -3.156   0.455   2.179
  119   2H3   DAO  13          2H3       DAO  13  -2.728  -0.966   1.250
  120   1H4   DAO  13          1H4       DAO  13  -0.724  -1.340   2.298
  121   2H4   DAO  13          2H4       DAO  13  -0.442   0.345   2.698
  122   1H5   DAO  13          1H5       DAO  13  -2.289   0.198   4.482
  123   2H5   DAO  13          2H5       DAO  13  -0.819  -0.712   4.789
  124   1H6   DAO  13          1H6       DAO  13  -3.408  -1.969   3.676
  125   2H6   DAO  13          2H6       DAO  13  -1.908  -2.830   3.969
  126   1H7   DAO  13          1H7       DAO  13  -3.114  -3.325   5.908
  127   2H7   DAO  13          2H7       DAO  13  -2.086  -2.023   6.473
  128   1H8   DAO  13          1H8       DAO  13  -4.097  -0.397   6.047
  129   2H8   DAO  13          2H8       DAO  13  -5.043  -1.802   5.597
  130   1H9   DAO  13          1H9       DAO  13  -4.322  -2.774   7.996
  131   2H9   DAO  13          2H9       DAO  13  -5.682  -1.703   7.822
  132   1H10  DAO  13          1H10      DAO  13  -3.919  -1.238   9.735
  133   2H10  DAO  13          2H10      DAO  13  -2.877  -0.611   8.479
  134   1H11  DAO  13          1H11      DAO  13  -3.958   1.313   9.386
  135   2H11  DAO  13          2H11      DAO  13  -4.784   1.063   7.857
  136   1H12  DAO  13          1H12      DAO  13  -6.722  -0.062   9.111
  137   2H12  DAO  13          2H12      DAO  13  -5.851   0.183  10.645
  138   3H12  DAO  13          3H12      DAO  13  -6.418   1.583   9.707
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1   1.601   0.754   0.619
    2    HA   PHE   1           HA       PHE   1   1.654   1.141  -2.321
    3   1HB   PHE   1          1HB       PHE   1   4.145   1.288  -1.854
    4   2HB   PHE   1          2HB       PHE   1   3.169   2.494  -1.074
    5    HD1  PHE   1           HD1      PHE   1   3.245   2.834   1.313
    6    HD2  PHE   1           HD2      PHE   1   5.100  -0.672  -0.352
    7    HE1  PHE   1           HE1      PHE   1   4.246   2.320   3.498
    8    HE2  PHE   1           HE2      PHE   1   6.093  -1.175   1.849
    9    HZ   PHE   1           HZ       PHE   1   5.663   0.315   3.775
   10    H    GLN   2           H        GLN   2   1.645  -1.563  -0.260
   11    HA   GLN   2           HA       GLN   2   3.317  -3.408  -1.938
   12   1HB   GLN   2          1HB       GLN   2   2.317  -5.140  -0.353
   13   2HB   GLN   2          2HB       GLN   2   3.474  -4.003   0.288
   14   1HG   GLN   2          1HG       GLN   2   1.722  -2.696   1.440
   15   2HG   GLN   2          2HG       GLN   2   0.439  -3.597   0.663
   16   1HE2  GLN   2          1HE2      GLN   2   3.154  -3.942   2.981
   17   2HE2  GLN   2          2HE2      GLN   2   2.329  -5.330   3.869
   18    H    TRP   3           H        TRP   3  -0.056  -2.415  -1.774
   19    HA   TRP   3           HA       TRP   3  -0.507  -3.762  -4.386
   20   1HB   TRP   3          1HB       TRP   3  -2.621  -5.037  -3.500
   21   2HB   TRP   3          2HB       TRP   3  -1.034  -5.713  -3.352
   22    HD1  TRP   3           HD1      TRP   3  -0.559  -6.836  -1.186
   23    HE1  TRP   3           HE1      TRP   3  -1.360  -6.815   1.347
   24    HE3  TRP   3           HE3      TRP   3  -3.583  -2.794  -1.569
   25    HZ2  TRP   3           HZ2      TRP   3  -3.362  -5.336   2.719
   26    HZ3  TRP   3           HZ3      TRP   3  -4.879  -2.079   0.357
   27    HH2  TRP   3           HH2      TRP   3  -4.783  -3.318   2.506
   28    H    GLN   4           H        GLN   4  -0.668  -0.986  -3.504
   29    HA   GLN   4           HA       GLN   4  -3.300  -0.111  -3.173
   30   1HB   GLN   4          1HB       GLN   4  -2.608   2.073  -3.425
   31   2HB   GLN   4          2HB       GLN   4  -1.217   1.229  -2.835
   32   1HG   GLN   4          1HG       GLN   4  -1.685   2.448  -5.614
   33   2HG   GLN   4          2HG       GLN   4  -0.519   2.921  -4.410
   34   1HE2  GLN   4          1HE2      GLN   4  -1.226   0.647  -6.773
   35   2HE2  GLN   4          2HE2      GLN   4   0.426  -0.103  -6.950
   36    H    ARG   5           H        ARG   5  -2.299  -1.230  -6.204
   37    HA   ARG   5           HA       ARG   5  -5.171  -0.839  -7.154
   38   1HB   ARG   5          1HB       ARG   5  -2.633  -0.375  -8.870
   39   2HB   ARG   5          2HB       ARG   5  -4.149  -0.765  -9.581
   40   1HG   ARG   5          1HG       ARG   5  -5.094   1.306  -8.094
   41   2HG   ARG   5          2HG       ARG   5  -3.423   1.800  -8.076
   42   1HD   ARG   5          1HD       ARG   5  -5.169   1.265 -10.580
   43   2HD   ARG   5          2HD       ARG   5  -4.806   2.862  -9.906
   44    HE   ARG   5           HE       ARG   5  -2.242   1.637 -10.424
   45   1HH1  ARG   5          1HH1      ARG   5  -4.980   2.644 -12.325
   46   2HH1  ARG   5          2HH1      ARG   5  -3.964   2.879 -13.828
   47   1HH2  ARG   5          1HH2      ARG   5  -1.101   1.949 -12.154
   48   2HH2  ARG   5          2HH2      ARG   5  -1.871   2.499 -13.709
   49    H    ASN   6           H        ASN   6  -3.779  -3.162  -5.795
   50    HA   ASN   6           HA       ASN   6  -4.544  -5.319  -7.857
   51   1HB   ASN   6          1HB       ASN   6  -1.835  -5.142  -6.390
   52   2HB   ASN   6          2HB       ASN   6  -2.406  -6.584  -7.190
   53   1HD2  ASN   6          1HD2      ASN   6  -0.196  -4.413  -7.733
   54   2HD2  ASN   6          2HD2      ASN   6  -0.371  -4.300  -9.560
   55    H    ILE   7           H        ILE   7  -6.407  -5.185  -6.235
   56    HA   ILE   7           HA       ILE   7  -5.940  -7.435  -4.222
   57    HB   ILE   7           HB       ILE   7  -8.405  -6.147  -3.426
   58   1HG1  ILE   7          1HG1      ILE   7  -7.493  -4.020  -4.393
   59   2HG1  ILE   7          2HG1      ILE   7  -8.013  -4.019  -2.720
   60   1HG2  ILE   7          1HG2      ILE   7  -7.326  -6.126  -1.190
   61   2HG2  ILE   7          2HG2      ILE   7  -7.057  -7.679  -2.018
   62   3HG2  ILE   7          3HG2      ILE   7  -5.749  -6.486  -1.924
   63   1HD1  ILE   7          1HD1      ILE   7  -5.749  -4.026  -1.870
   64   2HD1  ILE   7          2HD1      ILE   7  -5.028  -4.327  -3.453
   65   3HD1  ILE   7          3HD1      ILE   7  -5.799  -2.753  -3.112
   66    H    ARG   8           H        ARG   8  -8.180  -6.442  -6.694
   67    HA   ARG   8           HA       ARG   8  -9.932  -8.864  -6.244
   68   1HB   ARG   8          1HB       ARG   8  -9.983  -6.890  -8.580
   69   2HB   ARG   8          2HB       ARG   8 -11.169  -8.134  -8.263
   70   1HG   ARG   8          1HG       ARG   8 -10.642  -5.779  -6.322
   71   2HG   ARG   8          2HG       ARG   8 -11.761  -5.683  -7.667
   72   1HD   ARG   8          1HD       ARG   8 -13.119  -7.598  -6.709
   73   2HD   ARG   8          2HD       ARG   8 -12.011  -7.680  -5.314
   74    HE   ARG   8           HE       ARG   8 -12.779  -4.926  -5.417
   75   1HH1  ARG   8          1HH1      ARG   8 -14.558  -7.886  -5.079
   76   2HH1  ARG   8          2HH1      ARG   8 -15.903  -7.057  -4.151
   77   1HH2  ARG   8          1HH2      ARG   8 -14.310  -4.017  -4.368
   78   2HH2  ARG   8          2HH2      ARG   8 -15.743  -4.967  -3.777
   79    H    LYS   9           H        LYS   9  -7.427  -7.801  -8.568
   80    HA   LYS   9           HA       LYS   9  -7.235 -10.443  -9.886
   81   1HB   LYS   9          1HB       LYS   9  -5.405  -9.672 -11.093
   82   2HB   LYS   9          2HB       LYS   9  -6.515  -8.348 -11.023
   83   1HG   LYS   9          1HG       LYS   9  -4.906  -6.916 -10.149
   84   2HG   LYS   9          2HG       LYS   9  -4.621  -7.954  -8.797
   85   1HD   LYS   9          1HD       LYS   9  -2.509  -7.887  -9.792
   86   2HD   LYS   9          2HD       LYS   9  -3.119  -9.446 -10.313
   87   1HE   LYS   9          1HE       LYS   9  -3.854  -8.302 -12.557
   88   2HE   LYS   9          2HE       LYS   9  -3.117  -6.806 -11.971
   89   1HZ   LYS   9          1HZ       LYS   9  -1.495  -8.123 -13.338
   90   2HZ   LYS   9          2HZ       LYS   9  -0.942  -8.023 -11.793
   91   3HZ   LYS   9          3HZ       LYS   9  -1.622  -9.414 -12.329
   92    H    VAL  10           H        VAL  10  -5.635  -9.122  -7.031
   93    HA   VAL  10           HA       VAL  10  -4.149 -11.785  -6.582
   94    HB   VAL  10           HB       VAL  10  -3.697  -9.076  -5.185
   95   1HG1  VAL  10          1HG1      VAL  10  -2.136 -11.733  -4.819
   96   2HG1  VAL  10          2HG1      VAL  10  -1.722 -10.166  -4.084
   97   3HG1  VAL  10          3HG1      VAL  10  -3.210 -10.989  -3.614
   98   1HG2  VAL  10          1HG2      VAL  10  -1.828 -10.607  -7.145
   99   2HG2  VAL  10          2HG2      VAL  10  -2.682  -9.089  -7.506
  100   3HG2  VAL  10          3HG2      VAL  10  -1.417  -9.106  -6.270
  101    H    ARG  11           H        ARG  11  -6.411 -12.522  -6.390
  102    HA   ARG  11           HA       ARG  11  -8.168 -11.346  -4.405
  103   1HB   ARG  11          1HB       ARG  11  -8.744 -12.631  -6.623
  104   2HB   ARG  11          2HB       ARG  11  -8.764 -14.078  -5.648
  105   1HG   ARG  11          1HG       ARG  11 -10.405 -12.620  -4.047
  106   2HG   ARG  11          2HG       ARG  11 -10.506 -11.541  -5.440
  107   1HD   ARG  11          1HD       ARG  11 -11.346 -13.557  -6.841
  108   2HD   ARG  11          2HD       ARG  11 -11.263 -14.540  -5.360
  109    HE   ARG  11           HE       ARG  11 -12.845 -11.971  -5.091
  110   1HH1  ARG  11          1HH1      ARG  11 -13.115 -15.371  -5.778
  111   2HH1  ARG  11          2HH1      ARG  11 -14.901 -15.379  -5.382
  112   1HH2  ARG  11          1HH2      ARG  11 -14.865 -12.016  -4.669
  113   2HH2  ARG  11          2HH2      ARG  11 -15.827 -13.554  -4.799
  114   1HN   NH2  12          1HN       NH2  12  -7.360 -13.282  -1.496
  115   2HN   NH2  12          2HN       NH2  12  -7.324 -11.607  -2.249
  116   1H2   DAO  13          1H2       DAO  13  -0.775   1.282   1.538
  117   2H2   DAO  13          2H2       DAO  13  -2.087   1.230   0.371
  118   1H3   DAO  13          1H3       DAO  13  -2.782  -0.218   2.209
  119   2H3   DAO  13          2H3       DAO  13  -2.403  -1.213   0.829
  120   1H4   DAO  13          1H4       DAO  13  -1.248  -2.499   2.276
  121   2H4   DAO  13          2H4       DAO  13   0.050  -1.352   2.013
  122   1H5   DAO  13          1H5       DAO  13  -1.940  -1.370   4.370
  123   2H5   DAO  13          2H5       DAO  13  -0.765  -0.073   4.126
  124   1H6   DAO  13          1H6       DAO  13   0.092  -3.044   4.269
  125   2H6   DAO  13          2H6       DAO  13   1.134  -1.636   4.286
  126   1H7   DAO  13          1H7       DAO  13   1.110  -2.377   6.507
  127   2H7   DAO  13          2H7       DAO  13   0.062  -0.970   6.564
  128   1H8   DAO  13          1H8       DAO  13  -1.964  -2.371   6.722
  129   2H8   DAO  13          2H8       DAO  13  -1.111  -3.794   6.155
  130   1H9   DAO  13          1H9       DAO  13   0.308  -3.812   8.266
  131   2H9   DAO  13          2H9       DAO  13  -1.393  -4.194   8.457
  132   1H10  DAO  13          1H10      DAO  13  -0.236  -1.394   9.054
  133   2H10  DAO  13          2H10      DAO  13  -1.900  -1.917   9.325
  134   1H11  DAO  13          1H11      DAO  13  -0.996  -3.742  10.925
  135   2H11  DAO  13          2H11      DAO  13   0.623  -3.080  10.697
  136   1H12  DAO  13          1H12      DAO  13  -0.178  -0.834  11.641
  137   2H12  DAO  13          2H12      DAO  13  -1.792  -1.548  11.902
  138   3H12  DAO  13          3H12      DAO  13  -0.387  -2.173  12.795
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1   2.250   0.313   0.372
    2    HA   PHE   1           HA       PHE   1   2.196   0.959  -2.494
    3   1HB   PHE   1          1HB       PHE   1   4.642   0.667  -2.223
    4   2HB   PHE   1          2HB       PHE   1   3.950   1.835  -1.139
    5    HD1  PHE   1           HD1      PHE   1   5.587  -1.516  -1.270
    6    HD2  PHE   1           HD2      PHE   1   4.011   1.535   1.319
    7    HE1  PHE   1           HE1      PHE   1   6.763  -2.523   0.650
    8    HE2  PHE   1           HE2      PHE   1   5.180   0.514   3.226
    9    HZ   PHE   1           HZ       PHE   1   6.558  -1.512   2.899
   10    H    GLN   2           H        GLN   2   2.044  -2.037  -0.700
   11    HA   GLN   2           HA       GLN   2   3.336  -3.776  -2.771
   12   1HB   GLN   2          1HB       GLN   2   2.565  -5.613  -1.239
   13   2HB   GLN   2          2HB       GLN   2   3.763  -4.517  -0.601
   14   1HG   GLN   2          1HG       GLN   2   2.111  -3.372   0.834
   15   2HG   GLN   2          2HG       GLN   2   0.767  -4.222   0.092
   16   1HE2  GLN   2          1HE2      GLN   2   3.692  -4.734   2.083
   17   2HE2  GLN   2          2HE2      GLN   2   2.965  -6.203   2.929
   18    H    TRP   3           H        TRP   3   0.062  -2.774  -1.979
   19    HA   TRP   3           HA       TRP   3  -0.788  -3.820  -4.634
   20   1HB   TRP   3          1HB       TRP   3  -2.767  -5.186  -3.700
   21   2HB   TRP   3          2HB       TRP   3  -1.159  -5.849  -3.654
   22    HD1  TRP   3           HD1      TRP   3  -0.621  -7.099  -1.637
   23    HE1  TRP   3           HE1      TRP   3  -1.249  -7.238   0.947
   24    HE3  TRP   3           HE3      TRP   3  -3.509  -2.962  -1.546
   25    HZ2  TRP   3           HZ2      TRP   3  -3.096  -5.774   2.550
   26    HZ3  TRP   3           HZ3      TRP   3  -4.501  -2.244   0.520
   27    HH2  TRP   3           HH2      TRP   3  -4.364  -3.651   2.574
   28    H    GLN   4           H        GLN   4  -0.986  -1.227  -2.867
   29    HA   GLN   4           HA       GLN   4  -3.329   0.002  -2.701
   30   1HB   GLN   4          1HB       GLN   4  -2.335   2.065  -3.785
   31   2HB   GLN   4          2HB       GLN   4  -1.382   1.303  -2.555
   32   1HG   GLN   4          1HG       GLN   4   0.369   0.716  -3.950
   33   2HG   GLN   4          2HG       GLN   4  -0.643   0.291  -5.292
   34   1HE2  GLN   4          1HE2      GLN   4  -0.073   1.477  -6.962
   35   2HE2  GLN   4          2HE2      GLN   4   0.391   3.247  -6.868
   36    H    ARG   5           H        ARG   5  -2.410  -0.802  -6.025
   37    HA   ARG   5           HA       ARG   5  -5.329  -0.371  -6.765
   38   1HB   ARG   5          1HB       ARG   5  -3.335   1.302  -7.758
   39   2HB   ARG   5          2HB       ARG   5  -3.236   0.066  -8.942
   40   1HG   ARG   5          1HG       ARG   5  -5.449   2.082  -8.283
   41   2HG   ARG   5          2HG       ARG   5  -4.651   1.778  -9.791
   42   1HD   ARG   5          1HD       ARG   5  -6.824   1.047 -10.245
   43   2HD   ARG   5          2HD       ARG   5  -5.978  -0.479  -9.942
   44    HE   ARG   5           HE       ARG   5  -7.104   0.628  -7.420
   45   1HH1  ARG   5          1HH1      ARG   5  -8.099  -1.080 -10.264
   46   2HH1  ARG   5          2HH1      ARG   5  -9.532  -1.842  -9.410
   47   1HH2  ARG   5          1HH2      ARG   5  -8.729  -0.227  -6.473
   48   2HH2  ARG   5          2HH2      ARG   5  -9.847  -1.371  -7.339
   49    H    ASN   6           H        ASN   6  -4.009  -2.813  -5.857
   50    HA   ASN   6           HA       ASN   6  -4.647  -4.711  -8.192
   51   1HB   ASN   6          1HB       ASN   6  -2.007  -4.503  -6.592
   52   2HB   ASN   6          2HB       ASN   6  -2.379  -5.868  -7.594
   53   1HD2  ASN   6          1HD2      ASN   6  -3.012  -5.167  -9.986
   54   2HD2  ASN   6          2HD2      ASN   6  -1.820  -3.938 -10.648
   55    H    ILE   7           H        ILE   7  -6.458  -4.677  -6.188
   56    HA   ILE   7           HA       ILE   7  -5.786  -7.112  -4.492
   57    HB   ILE   7           HB       ILE   7  -8.436  -6.034  -3.797
   58   1HG1  ILE   7          1HG1      ILE   7  -7.480  -3.795  -4.344
   59   2HG1  ILE   7          2HG1      ILE   7  -8.044  -4.034  -2.705
   60   1HG2  ILE   7          1HG2      ILE   7  -7.486  -6.297  -1.490
   61   2HG2  ILE   7          2HG2      ILE   7  -7.167  -7.745  -2.495
   62   3HG2  ILE   7          3HG2      ILE   7  -5.872  -6.575  -2.181
   63   1HD1  ILE   7          1HD1      ILE   7  -5.051  -4.301  -3.393
   64   2HD1  ILE   7          2HD1      ILE   7  -5.794  -2.756  -2.888
   65   3HD1  ILE   7          3HD1      ILE   7  -5.796  -4.162  -1.797
   66    H    ARG   8           H        ARG   8  -7.963  -6.299  -7.050
   67    HA   ARG   8           HA       ARG   8  -9.594  -8.794  -6.788
   68   1HB   ARG   8          1HB       ARG   8 -10.603  -8.150  -8.960
   69   2HB   ARG   8          2HB       ARG   8 -10.834  -7.002  -7.670
   70   1HG   ARG   8          1HG       ARG   8  -9.551  -5.301  -8.673
   71   2HG   ARG   8          2HG       ARG   8  -8.409  -6.410  -9.371
   72   1HD   ARG   8          1HD       ARG   8  -9.464  -5.427 -11.236
   73   2HD   ARG   8          2HD       ARG   8 -10.066  -7.089 -11.172
   74    HE   ARG   8           HE       ARG   8 -12.023  -5.553  -9.727
   75   1HH1  ARG   8          1HH1      ARG   8 -10.800  -5.604 -12.991
   76   2HH1  ARG   8          2HH1      ARG   8 -12.367  -4.953 -13.669
   77   1HH2  ARG   8          1HH2      ARG   8 -13.795  -4.804 -10.542
   78   2HH2  ARG   8          2HH2      ARG   8 -13.964  -4.534 -12.332
   79    H    LYS   9           H        LYS   9  -6.555  -8.062  -8.204
   80    HA   LYS   9           HA       LYS   9  -6.490 -10.714  -9.626
   81   1HB   LYS   9          1HB       LYS   9  -4.209 -10.421 -10.164
   82   2HB   LYS   9          2HB       LYS   9  -5.128  -9.036 -10.705
   83   1HG   LYS   9          1HG       LYS   9  -4.219  -7.608  -8.910
   84   2HG   LYS   9          2HG       LYS   9  -3.475  -8.953  -8.089
   85   1HD   LYS   9          1HD       LYS   9  -2.625  -7.924 -10.889
   86   2HD   LYS   9          2HD       LYS   9  -1.896  -7.488  -9.373
   87   1HE   LYS   9          1HE       LYS   9  -0.373  -9.119  -9.798
   88   2HE   LYS   9          2HE       LYS   9  -1.547 -10.170  -9.031
   89   1HZ   LYS   9          1HZ       LYS   9  -0.890 -11.104 -11.222
   90   2HZ   LYS   9          2HZ       LYS   9  -2.459 -10.638 -11.365
   91   3HZ   LYS   9          3HZ       LYS   9  -1.271  -9.718 -12.015
   92    H    VAL  10           H        VAL  10  -5.741  -9.504  -6.418
   93    HA   VAL  10           HA       VAL  10  -4.642 -12.255  -5.587
   94    HB   VAL  10           HB       VAL  10  -4.299  -9.561  -4.133
   95   1HG1  VAL  10          1HG1      VAL  10  -3.124 -12.341  -3.389
   96   2HG1  VAL  10          2HG1      VAL  10  -2.784 -10.802  -2.563
   97   3HG1  VAL  10          3HG1      VAL  10  -4.405 -11.492  -2.496
   98   1HG2  VAL  10          1HG2      VAL  10  -2.153 -11.287  -5.575
   99   2HG2  VAL  10          2HG2      VAL  10  -2.722  -9.676  -6.082
  100   3HG2  VAL  10          3HG2      VAL  10  -1.823  -9.846  -4.576
  101    H    ARG  11           H        ARG  11  -6.993 -12.805  -5.954
  102    HA   ARG  11           HA       ARG  11  -9.042 -11.723  -4.129
  103   1HB   ARG  11          1HB       ARG  11  -9.063 -14.193  -5.967
  104   2HB   ARG  11          2HB       ARG  11 -10.397 -13.751  -4.942
  105   1HG   ARG  11          1HG       ARG  11 -10.320 -11.370  -6.070
  106   2HG   ARG  11          2HG       ARG  11  -9.301 -12.102  -7.287
  107   1HD   ARG  11          1HD       ARG  11 -12.129 -13.105  -6.499
  108   2HD   ARG  11          2HD       ARG  11 -11.821 -11.958  -7.811
  109    HE   ARG  11           HE       ARG  11 -10.141 -14.170  -8.462
  110   1HH1  ARG  11          1HH1      ARG  11 -13.567 -13.780  -7.973
  111   2HH1  ARG  11          2HH1      ARG  11 -13.966 -15.136  -9.132
  112   1HH2  ARG  11          1HH2      ARG  11 -10.634 -15.698  -9.785
  113   2HH2  ARG  11          2HH2      ARG  11 -12.367 -16.153 -10.103
  114   1HN   NH2  12          1HN       NH2  12  -8.336 -13.757  -1.219
  115   2HN   NH2  12          2HN       NH2  12  -8.360 -12.060  -1.922
  116   1H2   DAO  13          1H2       DAO  13   0.187   0.588   1.691
  117   2H2   DAO  13          2H2       DAO  13  -1.176   1.107   0.713
  118   1H3   DAO  13          1H3       DAO  13  -2.000  -0.596   2.301
  119   2H3   DAO  13          2H3       DAO  13  -2.074  -1.222   0.671
  120   1H4   DAO  13          1H4       DAO  13  -1.158  -3.065   1.582
  121   2H4   DAO  13          2H4       DAO  13   0.331  -2.267   1.231
  122   1H5   DAO  13          1H5       DAO  13  -0.203  -3.436   3.574
  123   2H5   DAO  13          2H5       DAO  13  -0.949  -1.917   4.017
  124   1H6   DAO  13          1H6       DAO  13   1.943  -2.102   2.930
  125   2H6   DAO  13          2H6       DAO  13   1.233  -0.711   3.729
  126   1H7   DAO  13          1H7       DAO  13   1.587  -3.475   5.087
  127   2H7   DAO  13          2H7       DAO  13   2.870  -2.303   5.065
  128   1H8   DAO  13          1H8       DAO  13   0.100  -1.616   6.235
  129   2H8   DAO  13          2H8       DAO  13   1.295  -2.462   7.182
  130   1H9   DAO  13          1H9       DAO  13   1.171   0.112   7.481
  131   2H9   DAO  13          2H9       DAO  13   1.837   0.279   5.876
  132   1H10  DAO  13          1H10      DAO  13   3.894  -1.103   6.679
  133   2H10  DAO  13          2H10      DAO  13   3.734   0.521   7.292
  134   1H11  DAO  13          1H11      DAO  13   2.783  -1.945   8.901
  135   2H11  DAO  13          2H11      DAO  13   4.419  -1.320   8.975
  136   1H12  DAO  13          1H12      DAO  13   3.080  -0.410  10.874
  137   2H12  DAO  13          2H12      DAO  13   3.584   0.920   9.808
  138   3H12  DAO  13          3H12      DAO  13   1.907   0.317   9.754
  Start of MODEL   16
    1   1H    PHE   1          1H        PHE   1   1.838   0.238   0.667
    2    HA   PHE   1           HA       PHE   1   1.754   0.935  -2.218
    3   1HB   PHE   1          1HB       PHE   1   4.206   1.058  -1.979
    4   2HB   PHE   1          2HB       PHE   1   3.369   2.152  -0.913
    5    HD1  PHE   1           HD1      PHE   1   5.494  -0.917  -1.011
    6    HD2  PHE   1           HD2      PHE   1   3.576   1.960   1.546
    7    HE1  PHE   1           HE1      PHE   1   6.809  -1.731   0.908
    8    HE2  PHE   1           HE2      PHE   1   4.892   1.134   3.453
    9    HZ   PHE   1           HZ       PHE   1   6.507  -0.712   3.141
   10    H    GLN   2           H        GLN   2   1.832  -1.855  -0.317
   11    HA   GLN   2           HA       GLN   2   3.276  -3.749  -2.115
   12   1HB   GLN   2          1HB       GLN   2   2.220  -5.432  -0.564
   13   2HB   GLN   2          2HB       GLN   2   3.351  -4.321   0.166
   14   1HG   GLN   2          1HG       GLN   2   1.522  -2.991   1.205
   15   2HG   GLN   2          2HG       GLN   2   0.296  -3.907   0.362
   16   1HE2  GLN   2          1HE2      GLN   2   2.083  -3.729   3.245
   17   2HE2  GLN   2          2HE2      GLN   2   1.593  -5.395   3.858
   18    H    TRP   3           H        TRP   3  -0.034  -2.550  -1.833
   19    HA   TRP   3           HA       TRP   3  -0.664  -3.809  -4.448
   20   1HB   TRP   3          1HB       TRP   3  -2.746  -5.060  -3.509
   21   2HB   TRP   3          2HB       TRP   3  -1.161  -5.757  -3.384
   22    HD1  TRP   3           HD1      TRP   3  -0.798  -6.993  -1.303
   23    HE1  TRP   3           HE1      TRP   3  -1.666  -7.095   1.211
   24    HE3  TRP   3           HE3      TRP   3  -3.580  -2.763  -1.503
   25    HZ2  TRP   3           HZ2      TRP   3  -3.617  -5.568   2.624
   26    HZ3  TRP   3           HZ3      TRP   3  -4.965  -2.144   0.398
   27    HH2  TRP   3           HH2      TRP   3  -4.974  -3.505   2.471
   28    H    GLN   4           H        GLN   4  -0.763  -1.034  -3.381
   29    HA   GLN   4           HA       GLN   4  -3.393  -0.130  -3.122
   30   1HB   GLN   4          1HB       GLN   4  -2.673   2.050  -3.335
   31   2HB   GLN   4          2HB       GLN   4  -1.306   1.192  -2.699
   32   1HG   GLN   4          1HG       GLN   4  -1.678   2.349  -5.539
   33   2HG   GLN   4          2HG       GLN   4  -0.636   2.946  -4.279
   34   1HE2  GLN   4          1HE2      GLN   4  -0.981   0.537  -6.657
   35   2HE2  GLN   4          2HE2      GLN   4   0.753  -0.056  -6.614
   36    H    ARG   5           H        ARG   5  -2.337  -1.248  -6.090
   37    HA   ARG   5           HA       ARG   5  -5.027  -0.484  -7.322
   38   1HB   ARG   5          1HB       ARG   5  -2.868   0.637  -8.394
   39   2HB   ARG   5          2HB       ARG   5  -2.445  -0.974  -8.921
   40   1HG   ARG   5          1HG       ARG   5  -3.383  -0.061 -10.796
   41   2HG   ARG   5          2HG       ARG   5  -4.746  -0.977 -10.222
   42   1HD   ARG   5          1HD       ARG   5  -4.295   2.077  -9.878
   43   2HD   ARG   5          2HD       ARG   5  -5.307   1.314 -11.112
   44    HE   ARG   5           HE       ARG   5  -6.217   0.489  -8.421
   45   1HH1  ARG   5          1HH1      ARG   5  -6.383   3.183 -10.612
   46   2HH1  ARG   5          2HH1      ARG   5  -7.857   3.869  -9.774
   47   1HH2  ARG   5          1HH2      ARG   5  -7.844   1.327  -7.452
   48   2HH2  ARG   5          2HH2      ARG   5  -8.629   2.848  -8.071
   49    H    ASN   6           H        ASN   6  -3.764  -3.074  -5.842
   50    HA   ASN   6           HA       ASN   6  -4.681  -5.143  -7.948
   51   1HB   ASN   6          1HB       ASN   6  -1.962  -5.019  -6.498
   52   2HB   ASN   6          2HB       ASN   6  -2.534  -6.429  -7.353
   53   1HD2  ASN   6          1HD2      ASN   6  -0.274  -4.411  -7.853
   54   2HD2  ASN   6          2HD2      ASN   6  -0.485  -4.144  -9.662
   55    H    ILE   7           H        ILE   7  -6.509  -5.102  -6.302
   56    HA   ILE   7           HA       ILE   7  -5.949  -7.304  -4.252
   57    HB   ILE   7           HB       ILE   7  -8.540  -6.048  -3.678
   58   1HG1  ILE   7          1HG1      ILE   7  -7.531  -3.914  -4.480
   59   2HG1  ILE   7          2HG1      ILE   7  -8.130  -3.953  -2.837
   60   1HG2  ILE   7          1HG2      ILE   7  -6.012  -6.479  -1.990
   61   2HG2  ILE   7          2HG2      ILE   7  -7.632  -6.092  -1.360
   62   3HG2  ILE   7          3HG2      ILE   7  -7.337  -7.640  -2.203
   63   1HD1  ILE   7          1HD1      ILE   7  -5.887  -4.020  -1.883
   64   2HD1  ILE   7          2HD1      ILE   7  -5.123  -4.278  -3.458
   65   3HD1  ILE   7          3HD1      ILE   7  -5.893  -2.712  -3.087
   66    H    ARG   8           H        ARG   8  -8.375  -6.376  -6.625
   67    HA   ARG   8           HA       ARG   8  -9.853  -8.959  -6.408
   68   1HB   ARG   8          1HB       ARG   8 -11.129  -8.219  -8.351
   69   2HB   ARG   8          2HB       ARG   8 -11.179  -7.119  -7.003
   70   1HG   ARG   8          1HG       ARG   8 -10.375  -5.338  -8.221
   71   2HG   ARG   8          2HG       ARG   8  -8.996  -6.231  -8.770
   72   1HD   ARG   8          1HD       ARG   8 -10.043  -5.607 -10.764
   73   2HD   ARG   8          2HD       ARG   8 -10.416  -7.332 -10.612
   74    HE   ARG   8           HE       ARG   8 -12.621  -5.937  -9.359
   75   1HH1  ARG   8          1HH1      ARG   8 -11.259  -6.094 -12.562
   76   2HH1  ARG   8          2HH1      ARG   8 -12.836  -5.600 -13.345
   77   1HH2  ARG   8          1HH2      ARG   8 -14.403  -5.359 -10.290
   78   2HH2  ARG   8          2HH2      ARG   8 -14.517  -5.216 -12.100
   79    H    LYS   9           H        LYS   9  -7.113  -7.844  -8.282
   80    HA   LYS   9           HA       LYS   9  -6.997 -10.486  -9.719
   81   1HB   LYS   9          1HB       LYS   9  -5.150  -9.841 -10.932
   82   2HB   LYS   9          2HB       LYS   9  -6.252  -8.512 -11.006
   83   1HG   LYS   9          1HG       LYS   9  -4.791  -7.013 -10.024
   84   2HG   LYS   9          2HG       LYS   9  -4.243  -8.109  -8.793
   85   1HD   LYS   9          1HD       LYS   9  -3.253  -8.065 -11.723
   86   2HD   LYS   9          2HD       LYS   9  -2.447  -7.386 -10.347
   87   1HE   LYS   9          1HE       LYS   9  -1.268  -9.299 -10.088
   88   2HE   LYS   9          2HE       LYS   9  -2.711 -10.022  -9.404
   89   1HZ   LYS   9          1HZ       LYS   9  -3.339 -10.752 -11.737
   90   2HZ   LYS   9          2HZ       LYS   9  -1.961 -10.099 -12.336
   91   3HZ   LYS   9          3HZ       LYS   9  -1.885 -11.377 -11.306
   92    H    VAL  10           H        VAL  10  -5.676  -9.154  -6.761
   93    HA   VAL  10           HA       VAL  10  -4.031 -11.723  -6.315
   94    HB   VAL  10           HB       VAL  10  -3.761  -9.053  -4.820
   95   1HG1  VAL  10          1HG1      VAL  10  -2.058 -11.631  -4.540
   96   2HG1  VAL  10          2HG1      VAL  10  -1.755 -10.080  -3.719
   97   3HG1  VAL  10          3HG1      VAL  10  -3.203 -11.008  -3.332
   98   1HG2  VAL  10          1HG2      VAL  10  -1.465  -8.884  -5.827
   99   2HG2  VAL  10          2HG2      VAL  10  -1.755 -10.347  -6.803
  100   3HG2  VAL  10          3HG2      VAL  10  -2.696  -8.861  -7.092
  101    H    ARG  11           H        ARG  11  -6.271 -12.551  -6.222
  102    HA   ARG  11           HA       ARG  11  -8.088 -11.612  -4.137
  103   1HB   ARG  11          1HB       ARG  11  -8.262 -13.393  -6.494
  104   2HB   ARG  11          2HB       ARG  11  -9.082 -14.158  -5.166
  105   1HG   ARG  11          1HG       ARG  11 -10.512 -12.176  -4.766
  106   2HG   ARG  11          2HG       ARG  11  -9.596 -11.224  -5.939
  107   1HD   ARG  11          1HD       ARG  11 -10.289 -12.728  -7.806
  108   2HD   ARG  11          2HD       ARG  11 -11.194 -13.769  -6.677
  109    HE   ARG  11           HE       ARG  11 -12.249 -11.163  -6.186
  110   1HH1  ARG  11          1HH1      ARG  11 -12.056 -13.210  -8.986
  111   2HH1  ARG  11          2HH1      ARG  11 -13.602 -12.534  -9.692
  112   1HH2  ARG  11          1HH2      ARG  11 -14.012 -10.427  -6.996
  113   2HH2  ARG  11          2HH2      ARG  11 -14.643 -11.030  -8.594
  114   1HN   NH2  12          1HN       NH2  12  -6.692 -15.011  -2.322
  115   2HN   NH2  12          2HN       NH2  12  -6.209 -14.729  -4.077
  116   1H2   DAO  13          1H2       DAO  13  -0.648   1.088   1.526
  117   2H2   DAO  13          2H2       DAO  13  -1.966   0.984   0.370
  118   1H3   DAO  13          1H3       DAO  13  -2.596  -0.342   2.308
  119   2H3   DAO  13          2H3       DAO  13  -2.347  -1.414   0.959
  120   1H4   DAO  13          1H4       DAO  13  -0.849  -2.666   2.075
  121   2H4   DAO  13          2H4       DAO  13   0.211  -1.294   2.331
  122   1H5   DAO  13          1H5       DAO  13  -1.195  -0.653   4.380
  123   2H5   DAO  13          2H5       DAO  13  -0.233  -2.114   4.522
  124   1H6   DAO  13          1H6       DAO  13  -3.197  -2.261   3.691
  125   2H6   DAO  13          2H6       DAO  13  -2.147  -3.588   4.146
  126   1H7   DAO  13          1H7       DAO  13  -3.591  -3.173   6.019
  127   2H7   DAO  13          2H7       DAO  13  -2.003  -2.603   6.519
  128   1H8   DAO  13          1H8       DAO  13  -2.674  -0.227   6.016
  129   2H8   DAO  13          2H8       DAO  13  -4.215  -0.769   5.361
  130   1H9   DAO  13          1H9       DAO  13  -3.385  -1.309   8.277
  131   2H9   DAO  13          2H9       DAO  13  -4.987  -1.537   7.588
  132   1H10  DAO  13          1H10      DAO  13  -4.723   0.562   9.001
  133   2H10  DAO  13          2H10      DAO  13  -3.511   1.169   7.886
  134   1H11  DAO  13          1H11      DAO  13  -5.315   1.161   6.024
  135   2H11  DAO  13          2H11      DAO  13  -6.497   0.657   7.231
  136   1H12  DAO  13          1H12      DAO  13  -6.033   2.803   8.552
  137   2H12  DAO  13          2H12      DAO  13  -4.840   3.286   7.316
  138   3H12  DAO  13          3H12      DAO  13  -6.560   3.150   6.887
  Start of MODEL   17
    1   1H    PHE   1          1H        PHE   1   1.843   0.510   0.701
    2    HA   PHE   1           HA       PHE   1   1.887   1.073  -2.209
    3   1HB   PHE   1          1HB       PHE   1   4.363   1.116  -1.849
    4   2HB   PHE   1          2HB       PHE   1   3.479   2.312  -0.951
    5    HD1  PHE   1           HD1      PHE   1   5.335  -0.947  -0.546
    6    HD2  PHE   1           HD2      PHE   1   3.676   2.478   1.458
    7    HE1  PHE   1           HE1      PHE   1   6.454  -1.615   1.546
    8    HE2  PHE   1           HE2      PHE   1   4.804   1.802   3.536
    9    HZ   PHE   1           HZ       PHE   1   6.187  -0.245   3.589
   10    H    GLN   2           H        GLN   2   1.759  -1.670  -0.261
   11    HA   GLN   2           HA       GLN   2   3.305  -3.601  -1.940
   12   1HB   GLN   2          1HB       GLN   2   2.129  -5.258  -0.368
   13   2HB   GLN   2          2HB       GLN   2   3.352  -4.208   0.298
   14   1HG   GLN   2          1HG       GLN   2   1.640  -2.743   1.376
   15   2HG   GLN   2          2HG       GLN   2   0.342  -3.604   0.585
   16   1HE2  GLN   2          1HE2      GLN   2   3.077  -4.177   2.860
   17   2HE2  GLN   2          2HE2      GLN   2   2.094  -5.378   3.856
   18    H    TRP   3           H        TRP   3  -0.027  -2.432  -1.789
   19    HA   TRP   3           HA       TRP   3  -0.552  -3.715  -4.410
   20   1HB   TRP   3          1HB       TRP   3  -2.644  -5.016  -3.531
   21   2HB   TRP   3          2HB       TRP   3  -1.050  -5.687  -3.407
   22    HD1  TRP   3           HD1      TRP   3  -0.653  -6.939  -1.319
   23    HE1  TRP   3           HE1      TRP   3  -1.513  -7.045   1.207
   24    HE3  TRP   3           HE3      TRP   3  -3.539  -2.773  -1.511
   25    HZ2  TRP   3           HZ2      TRP   3  -3.463  -5.553   2.632
   26    HZ3  TRP   3           HZ3      TRP   3  -4.901  -2.162   0.412
   27    HH2  TRP   3           HH2      TRP   3  -4.857  -3.509   2.493
   28    H    GLN   4           H        GLN   4  -0.764  -0.956  -3.320
   29    HA   GLN   4           HA       GLN   4  -3.399  -0.108  -3.120
   30   1HB   GLN   4          1HB       GLN   4  -2.734   2.090  -3.334
   31   2HB   GLN   4          2HB       GLN   4  -1.350   1.273  -2.686
   32   1HG   GLN   4          1HG       GLN   4  -1.725   2.373  -5.551
   33   2HG   GLN   4          2HG       GLN   4  -0.738   3.048  -4.283
   34   1HE2  GLN   4          1HE2      GLN   4  -0.948   0.461  -6.535
   35   2HE2  GLN   4          2HE2      GLN   4   0.833   0.029  -6.473
   36    H    ARG   5           H        ARG   5  -2.357  -1.253  -6.074
   37    HA   ARG   5           HA       ARG   5  -5.101  -0.645  -7.193
   38   1HB   ARG   5          1HB       ARG   5  -2.609   0.397  -8.421
   39   2HB   ARG   5          2HB       ARG   5  -3.206  -0.818  -9.466
   40   1HG   ARG   5          1HG       ARG   5  -4.588   1.751  -8.523
   41   2HG   ARG   5          2HG       ARG   5  -4.044   1.355 -10.135
   42   1HD   ARG   5          1HD       ARG   5  -6.574   0.367  -8.697
   43   2HD   ARG   5          2HD       ARG   5  -6.436   1.335 -10.161
   44    HE   ARG   5           HE       ARG   5  -5.334  -1.532 -10.137
   45   1HH1  ARG   5          1HH1      ARG   5  -7.922   0.541 -11.219
   46   2HH1  ARG   5          2HH1      ARG   5  -8.532  -0.716 -12.399
   47   1HH2  ARG   5          1HH2      ARG   5  -5.989  -2.874 -11.533
   48   2HH2  ARG   5          2HH2      ARG   5  -7.468  -2.569 -12.559
   49    H    ASN   6           H        ASN   6  -3.793  -3.064  -5.876
   50    HA   ASN   6           HA       ASN   6  -4.598  -5.167  -7.976
   51   1HB   ASN   6          1HB       ASN   6  -1.846  -4.941  -6.585
   52   2HB   ASN   6          2HB       ASN   6  -2.408  -6.424  -7.299
   53   1HD2  ASN   6          1HD2      ASN   6  -0.323  -4.146  -8.035
   54   2HD2  ASN   6          2HD2      ASN   6  -0.560  -4.160  -9.858
   55    H    ILE   7           H        ILE   7  -6.434  -5.150  -6.330
   56    HA   ILE   7           HA       ILE   7  -5.829  -7.359  -4.301
   57    HB   ILE   7           HB       ILE   7  -8.393  -6.159  -3.601
   58   1HG1  ILE   7          1HG1      ILE   7  -7.474  -3.996  -4.453
   59   2HG1  ILE   7          2HG1      ILE   7  -8.036  -4.053  -2.796
   60   1HG2  ILE   7          1HG2      ILE   7  -7.095  -7.713  -2.167
   61   2HG2  ILE   7          2HG2      ILE   7  -5.796  -6.517  -2.000
   62   3HG2  ILE   7          3HG2      ILE   7  -7.400  -6.176  -1.318
   63   1HD1  ILE   7          1HD1      ILE   7  -5.783  -4.046  -1.887
   64   2HD1  ILE   7          2HD1      ILE   7  -5.033  -4.288  -3.471
   65   3HD1  ILE   7          3HD1      ILE   7  -5.842  -2.741  -3.093
   66    H    ARG   8           H        ARG   8  -8.334  -6.393  -6.631
   67    HA   ARG   8           HA       ARG   8  -9.865  -8.942  -6.214
   68   1HB   ARG   8          1HB       ARG   8 -10.158  -6.812  -8.399
   69   2HB   ARG   8          2HB       ARG   8 -11.248  -8.165  -8.156
   70   1HG   ARG   8          1HG       ARG   8 -12.071  -7.285  -5.990
   71   2HG   ARG   8          2HG       ARG   8 -10.798  -6.101  -5.916
   72   1HD   ARG   8          1HD       ARG   8 -12.598  -4.780  -6.536
   73   2HD   ARG   8          2HD       ARG   8 -11.718  -4.988  -8.054
   74    HE   ARG   8           HE       ARG   8 -13.871  -7.047  -7.671
   75   1HH1  ARG   8          1HH1      ARG   8 -13.370  -3.762  -8.714
   76   2HH1  ARG   8          2HH1      ARG   8 -14.955  -3.731  -9.626
   77   1HH2  ARG   8          1HH2      ARG   8 -15.681  -6.962  -8.694
   78   2HH2  ARG   8          2HH2      ARG   8 -16.183  -5.465  -9.597
   79    H    LYS   9           H        LYS   9  -7.287  -7.901  -8.280
   80    HA   LYS   9           HA       LYS   9  -7.207 -10.493  -9.789
   81   1HB   LYS   9          1HB       LYS   9  -5.332  -9.732 -10.972
   82   2HB   LYS   9          2HB       LYS   9  -6.449  -8.413 -10.915
   83   1HG   LYS   9          1HG       LYS   9  -4.726  -7.040 -10.237
   84   2HG   LYS   9          2HG       LYS   9  -4.794  -7.809  -8.683
   85   1HD   LYS   9          1HD       LYS   9  -2.532  -8.024  -9.252
   86   2HD   LYS   9          2HD       LYS   9  -3.155  -9.631  -9.597
   87   1HE   LYS   9          1HE       LYS   9  -3.353  -8.916 -12.104
   88   2HE   LYS   9          2HE       LYS   9  -2.665  -7.349 -11.665
   89   1HZ   LYS   9          1HZ       LYS   9  -1.267  -9.999 -11.235
   90   2HZ   LYS   9          2HZ       LYS   9  -0.884  -8.925 -12.418
   91   3HZ   LYS   9          3HZ       LYS   9  -0.630  -8.542 -10.840
   92    H    VAL  10           H        VAL  10  -5.745  -9.242  -6.816
   93    HA   VAL  10           HA       VAL  10  -3.997 -11.746  -6.512
   94    HB   VAL  10           HB       VAL  10  -3.971  -9.191  -4.803
   95   1HG1  VAL  10          1HG1      VAL  10  -1.901 -10.179  -3.738
   96   2HG1  VAL  10          2HG1      VAL  10  -3.312 -11.197  -3.438
   97   3HG1  VAL  10          3HG1      VAL  10  -2.121 -11.682  -4.666
   98   1HG2  VAL  10          1HG2      VAL  10  -1.669  -8.792  -5.732
   99   2HG2  VAL  10          2HG2      VAL  10  -1.842 -10.190  -6.827
  100   3HG2  VAL  10          3HG2      VAL  10  -2.883  -8.757  -7.014
  101    H    ARG  11           H        ARG  11  -5.990 -12.811  -6.493
  102    HA   ARG  11           HA       ARG  11  -8.267 -12.115  -5.171
  103   1HB   ARG  11          1HB       ARG  11  -7.691 -14.040  -6.995
  104   2HB   ARG  11          2HB       ARG  11  -7.743 -15.111  -5.634
  105   1HG   ARG  11          1HG       ARG  11  -9.883 -15.209  -6.646
  106   2HG   ARG  11          2HG       ARG  11 -10.173 -14.290  -5.172
  107   1HD   ARG  11          1HD       ARG  11 -10.276 -12.148  -6.410
  108   2HD   ARG  11          2HD       ARG  11  -9.547 -12.882  -7.847
  109    HE   ARG  11           HE       ARG  11 -12.137 -14.184  -7.082
  110   1HH1  ARG  11          1HH1      ARG  11 -10.763 -11.519  -8.882
  111   2HH1  ARG  11          2HH1      ARG  11 -12.126 -11.566 -10.107
  112   1HH2  ARG  11          1HH2      ARG  11 -13.670 -14.177  -8.479
  113   2HH2  ARG  11          2HH2      ARG  11 -13.701 -12.987  -9.854
  114   1HN   NH2  12          1HN       NH2  12  -7.068 -14.377  -1.958
  115   2HN   NH2  12          2HN       NH2  12  -6.023 -14.389  -3.473
  116   1H2   DAO  13          1H2       DAO  13  -0.696   1.221   1.507
  117   2H2   DAO  13          2H2       DAO  13  -1.953   1.165   0.280
  118   1H3   DAO  13          1H3       DAO  13  -2.796  -0.264   2.011
  119   2H3   DAO  13          2H3       DAO  13  -2.254  -1.327   0.751
  120   1H4   DAO  13          1H4       DAO  13  -0.999  -2.478   2.195
  121   2H4   DAO  13          2H4       DAO  13   0.074  -1.124   2.382
  122   1H5   DAO  13          1H5       DAO  13  -2.126  -0.483   4.142
  123   2H5   DAO  13          2H5       DAO  13  -0.502  -0.957   4.584
  124   1H6   DAO  13          1H6       DAO  13  -2.664  -3.045   3.912
  125   2H6   DAO  13          2H6       DAO  13  -1.087  -3.355   4.623
  126   1H7   DAO  13          1H7       DAO  13  -1.841  -1.929   6.678
  127   2H7   DAO  13          2H7       DAO  13  -3.401  -1.762   5.902
  128   1H8   DAO  13          1H8       DAO  13  -4.027  -3.612   7.027
  129   2H8   DAO  13          2H8       DAO  13  -3.192  -4.545   5.818
  130   1H9   DAO  13          1H9       DAO  13  -2.726  -5.221   8.170
  131   2H9   DAO  13          2H9       DAO  13  -2.061  -3.661   8.567
  132   1H10  DAO  13          1H10      DAO  13  -0.510  -5.785   8.003
  133   2H10  DAO  13          2H10      DAO  13  -0.824  -5.397   6.330
  134   1H11  DAO  13          1H11      DAO  13   1.296  -4.415   6.891
  135   2H11  DAO  13          2H11      DAO  13   0.198  -3.060   6.735
  136   1H12  DAO  13          1H12      DAO  13   1.704  -2.819   8.751
  137   2H12  DAO  13          2H12      DAO  13   0.012  -2.917   9.279
  138   3H12  DAO  13          3H12      DAO  13   1.076  -4.338   9.432
  Start of MODEL   18
    1   1H    PHE   1          1H        PHE   1   2.233  -0.501   0.776
    2    HA   PHE   1           HA       PHE   1   2.164   0.730  -1.925
    3   1HB   PHE   1          1HB       PHE   1   4.654   0.648  -1.693
    4   2HB   PHE   1          2HB       PHE   1   3.851   1.612  -0.491
    5    HD1  PHE   1           HD1      PHE   1   4.147   1.187   1.880
    6    HD2  PHE   1           HD2      PHE   1   5.647  -1.666  -0.968
    7    HE1  PHE   1           HE1      PHE   1   5.368   0.030   3.674
    8    HE2  PHE   1           HE2      PHE   1   6.861  -2.817   0.843
    9    HZ   PHE   1           HZ       PHE   1   6.721  -1.974   3.163
   10    H    GLN   2           H        GLN   2   2.114  -2.406  -0.622
   11    HA   GLN   2           HA       GLN   2   3.444  -3.864  -2.873
   12   1HB   GLN   2          1HB       GLN   2   2.486  -5.863  -1.650
   13   2HB   GLN   2          2HB       GLN   2   3.719  -4.958  -0.817
   14   1HG   GLN   2          1HG       GLN   2   2.148  -3.945   0.732
   15   2HG   GLN   2          2HG       GLN   2   0.743  -4.465  -0.183
   16   1HE2  GLN   2          1HE2      GLN   2   1.460  -4.992   2.639
   17   2HE2  GLN   2          2HE2      GLN   2   1.420  -6.831   2.742
   18    H    TRP   3           H        TRP   3   0.164  -2.808  -2.094
   19    HA   TRP   3           HA       TRP   3  -0.703  -3.582  -4.818
   20   1HB   TRP   3          1HB       TRP   3  -2.645  -5.106  -3.989
   21   2HB   TRP   3          2HB       TRP   3  -1.029  -5.723  -4.144
   22    HD1  TRP   3           HD1      TRP   3  -0.425  -7.358  -2.403
   23    HE1  TRP   3           HE1      TRP   3  -0.986  -7.966   0.122
   24    HE3  TRP   3           HE3      TRP   3  -3.378  -3.329  -1.504
   25    HZ2  TRP   3           HZ2      TRP   3  -2.725  -6.776   2.048
   26    HZ3  TRP   3           HZ3      TRP   3  -4.465  -3.096   0.663
   27    HH2  TRP   3           HH2      TRP   3  -4.143  -4.784   2.449
   28    H    GLN   4           H        GLN   4  -0.810  -1.097  -3.135
   29    HA   GLN   4           HA       GLN   4  -3.422  -0.370  -2.573
   30   1HB   GLN   4          1HB       GLN   4  -2.814   1.851  -2.426
   31   2HB   GLN   4          2HB       GLN   4  -1.377   0.968  -2.035
   32   1HG   GLN   4          1HG       GLN   4  -1.965   2.578  -4.608
   33   2HG   GLN   4          2HG       GLN   4  -0.907   3.027  -3.299
   34   1HE2  GLN   4          1HE2      GLN   4  -1.232   0.841  -5.928
   35   2HE2  GLN   4          2HE2      GLN   4   0.560   0.528  -6.125
   36    H    ARG   5           H        ARG   5  -2.630  -0.900  -5.762
   37    HA   ARG   5           HA       ARG   5  -5.455  -0.138  -6.527
   38   1HB   ARG   5          1HB       ARG   5  -3.059   1.163  -7.707
   39   2HB   ARG   5          2HB       ARG   5  -3.728   0.166  -8.922
   40   1HG   ARG   5          1HG       ARG   5  -5.037   2.478  -7.390
   41   2HG   ARG   5          2HG       ARG   5  -4.613   2.422  -9.083
   42   1HD   ARG   5          1HD       ARG   5  -7.028   1.113  -7.697
   43   2HD   ARG   5          2HD       ARG   5  -7.005   2.375  -8.923
   44    HE   ARG   5           HE       ARG   5  -5.886  -0.396  -9.614
   45   1HH1  ARG   5          1HH1      ARG   5  -8.582   1.784  -9.988
   46   2HH1  ARG   5          2HH1      ARG   5  -9.266   0.820 -11.382
   47   1HH2  ARG   5          1HH2      ARG   5  -6.634  -1.398 -11.245
   48   2HH2  ARG   5          2HH2      ARG   5  -8.193  -0.906 -12.055
   49    H    ASN   6           H        ASN   6  -4.061  -2.727  -5.786
   50    HA   ASN   6           HA       ASN   6  -4.896  -4.452  -8.198
   51   1HB   ASN   6          1HB       ASN   6  -2.060  -4.221  -6.981
   52   2HB   ASN   6          2HB       ASN   6  -2.557  -5.625  -7.870
   53   1HD2  ASN   6          1HD2      ASN   6  -1.167  -2.603  -8.318
   54   2HD2  ASN   6          2HD2      ASN   6  -1.357  -2.617 -10.150
   55    H    ILE   7           H        ILE   7  -6.506  -4.619  -6.139
   56    HA   ILE   7           HA       ILE   7  -5.738  -7.243  -4.783
   57    HB   ILE   7           HB       ILE   7  -8.310  -6.325  -3.754
   58   1HG1  ILE   7          1HG1      ILE   7  -7.495  -3.996  -4.207
   59   2HG1  ILE   7          2HG1      ILE   7  -7.993  -4.403  -2.589
   60   1HG2  ILE   7          1HG2      ILE   7  -5.609  -6.878  -2.395
   61   2HG2  ILE   7          2HG2      ILE   7  -7.180  -6.745  -1.571
   62   3HG2  ILE   7          3HG2      ILE   7  -6.880  -8.071  -2.726
   63   1HD1  ILE   7          1HD1      ILE   7  -5.006  -4.401  -3.384
   64   2HD1  ILE   7          2HD1      ILE   7  -5.832  -2.972  -2.704
   65   3HD1  ILE   7          3HD1      ILE   7  -5.697  -4.470  -1.757
   66    H    ARG   8           H        ARG   8  -7.639  -6.325  -7.352
   67    HA   ARG   8           HA       ARG   8  -9.642  -8.565  -7.204
   68   1HB   ARG   8          1HB       ARG   8  -8.886  -6.728  -9.541
   69   2HB   ARG   8          2HB       ARG   8 -10.087  -8.011  -9.624
   70   1HG   ARG   8          1HG       ARG   8 -11.442  -6.953  -7.801
   71   2HG   ARG   8          2HG       ARG   8 -10.311  -5.629  -7.673
   72   1HD   ARG   8          1HD       ARG   8 -11.049  -4.549  -9.636
   73   2HD   ARG   8          2HD       ARG   8 -11.247  -6.034 -10.512
   74    HE   ARG   8           HE       ARG   8 -13.495  -6.346  -9.738
   75   1HH1  ARG   8          1HH1      ARG   8 -12.114  -3.644  -8.047
   76   2HH1  ARG   8          2HH1      ARG   8 -13.758  -3.046  -7.506
   77   1HH2  ARG   8          1HH2      ARG   8 -15.343  -5.612  -9.161
   78   2HH2  ARG   8          2HH2      ARG   8 -15.488  -4.133  -8.113
   79    H    LYS   9           H        LYS   9  -6.356  -8.282  -8.263
   80    HA   LYS   9           HA       LYS   9  -6.347 -11.004  -9.514
   81   1HB   LYS   9          1HB       LYS   9  -4.066 -10.827  -9.967
   82   2HB   LYS   9          2HB       LYS   9  -4.774  -9.277 -10.362
   83   1HG   LYS   9          1HG       LYS   9  -3.829  -8.367  -8.101
   84   2HG   LYS   9          2HG       LYS   9  -3.112  -9.943  -7.851
   85   1HD   LYS   9          1HD       LYS   9  -1.358  -8.636  -8.627
   86   2HD   LYS   9          2HD       LYS   9  -1.708  -9.703  -9.952
   87   1HE   LYS   9          1HE       LYS   9  -3.039  -6.904  -9.905
   88   2HE   LYS   9          2HE       LYS   9  -1.308  -6.959 -10.166
   89   1HZ   LYS   9          1HZ       LYS   9  -1.657  -8.424 -12.121
   90   2HZ   LYS   9          2HZ       LYS   9  -3.275  -8.484 -11.871
   91   3HZ   LYS   9          3HZ       LYS   9  -2.563  -7.065 -12.308
   92    H    VAL  10           H        VAL  10  -5.394  -9.656  -6.337
   93    HA   VAL  10           HA       VAL  10  -4.956 -12.477  -5.218
   94    HB   VAL  10           HB       VAL  10  -4.510  -9.786  -3.802
   95   1HG1  VAL  10          1HG1      VAL  10  -3.637 -12.634  -2.929
   96   2HG1  VAL  10          2HG1      VAL  10  -3.289 -11.113  -2.073
   97   3HG1  VAL  10          3HG1      VAL  10  -4.952 -11.689  -2.193
   98   1HG2  VAL  10          1HG2      VAL  10  -2.015 -10.315  -3.967
   99   2HG2  VAL  10          2HG2      VAL  10  -2.392 -11.658  -5.073
  100   3HG2  VAL  10          3HG2      VAL  10  -2.749  -9.978  -5.539
  101    H    ARG  11           H        ARG  11  -7.228 -12.660  -5.894
  102    HA   ARG  11           HA       ARG  11  -9.264 -10.971  -4.720
  103   1HB   ARG  11          1HB       ARG  11  -9.127 -12.087  -7.049
  104   2HB   ARG  11          2HB       ARG  11  -9.805 -13.529  -6.333
  105   1HG   ARG  11          1HG       ARG  11 -11.875 -12.173  -5.631
  106   2HG   ARG  11          2HG       ARG  11 -11.105 -10.719  -6.226
  107   1HD   ARG  11          1HD       ARG  11 -12.609 -11.309  -7.960
  108   2HD   ARG  11          2HD       ARG  11 -11.002 -11.730  -8.577
  109    HE   ARG  11           HE       ARG  11 -12.321 -14.039  -7.199
  110   1HH1  ARG  11          1HH1      ARG  11 -12.228 -12.359 -10.240
  111   2HH1  ARG  11          2HH1      ARG  11 -12.902 -13.798 -11.149
  112   1HH2  ARG  11          1HH2      ARG  11 -13.098 -15.652  -8.254
  113   2HH2  ARG  11          2HH2      ARG  11 -13.365 -15.566 -10.052
  114   1HN   NH2  12          1HN       NH2  12  -9.924 -14.388  -2.528
  115   2HN   NH2  12          2HN       NH2  12  -8.656 -14.450  -3.859
  116   1H2   DAO  13          1H2       DAO  13  -0.190   0.097   1.868
  117   2H2   DAO  13          2H2       DAO  13  -1.517   0.277   0.730
  118   1H3   DAO  13          1H3       DAO  13  -2.269  -1.572   2.021
  119   2H3   DAO  13          2H3       DAO  13  -1.627  -2.312   0.593
  120   1H4   DAO  13          1H4       DAO  13  -0.643  -3.713   2.113
  121   2H4   DAO  13          2H4       DAO  13   0.650  -2.546   1.980
  122   1H5   DAO  13          1H5       DAO  13  -0.249  -1.382   4.117
  123   2H5   DAO  13          2H5       DAO  13   0.426  -2.981   4.297
  124   1H6   DAO  13          1H6       DAO  13  -2.185  -3.766   3.940
  125   2H6   DAO  13          2H6       DAO  13  -1.429  -3.485   5.493
  126   1H7   DAO  13          1H7       DAO  13  -2.386  -1.283   5.760
  127   2H7   DAO  13          2H7       DAO  13  -2.838  -1.164   4.079
  128   1H8   DAO  13          1H8       DAO  13  -4.842  -1.519   5.270
  129   2H8   DAO  13          2H8       DAO  13  -4.574  -2.976   4.353
  130   1H9   DAO  13          1H9       DAO  13  -5.386  -3.014   6.921
  131   2H9   DAO  13          2H9       DAO  13  -3.705  -2.771   7.311
  132   1H10  DAO  13          1H10      DAO  13  -3.150  -4.932   6.011
  133   2H10  DAO  13          2H10      DAO  13  -4.062  -5.129   7.485
  134   1H11  DAO  13          1H11      DAO  13  -5.351  -5.132   4.672
  135   2H11  DAO  13          2H11      DAO  13  -4.821  -6.568   5.529
  136   1H12  DAO  13          1H12      DAO  13  -7.042  -4.654   6.527
  137   2H12  DAO  13          2H12      DAO  13  -7.268  -6.281   5.849
  138   3H12  DAO  13          3H12      DAO  13  -6.457  -6.083   7.419
  Start of MODEL   19
    1   1H    PHE   1          1H        PHE   1   1.808   0.319   0.767
    2    HA   PHE   1           HA       PHE   1   1.928   0.947  -2.130
    3   1HB   PHE   1          1HB       PHE   1   4.426   0.938  -1.657
    4   2HB   PHE   1          2HB       PHE   1   3.485   2.160  -0.862
    5    HD1  PHE   1           HD1      PHE   1   3.592   2.476   1.509
    6    HD2  PHE   1           HD2      PHE   1   5.188  -1.152  -0.163
    7    HE1  PHE   1           HE1      PHE   1   4.544   1.882   3.696
    8    HE2  PHE   1           HE2      PHE   1   6.133  -1.736   2.039
    9    HZ   PHE   1           HZ       PHE   1   5.808  -0.224   3.970
   10    H    GLN   2           H        GLN   2   1.763  -1.867  -0.264
   11    HA   GLN   2           HA       GLN   2   3.280  -3.710  -2.087
   12   1HB   GLN   2          1HB       GLN   2   2.161  -5.468  -0.602
   13   2HB   GLN   2          2HB       GLN   2   3.421  -4.476   0.085
   14   1HG   GLN   2          1HG       GLN   2   1.799  -3.100   1.348
   15   2HG   GLN   2          2HG       GLN   2   0.436  -3.857   0.550
   16   1HE2  GLN   2          1HE2      GLN   2   3.205  -4.600   2.713
   17   2HE2  GLN   2          2HE2      GLN   2   2.263  -5.912   3.602
   18    H    TRP   3           H        TRP   3  -0.024  -2.506  -1.820
   19    HA   TRP   3           HA       TRP   3  -0.600  -3.684  -4.477
   20   1HB   TRP   3          1HB       TRP   3  -2.708  -4.982  -3.630
   21   2HB   TRP   3          2HB       TRP   3  -1.122  -5.684  -3.562
   22    HD1  TRP   3           HD1      TRP   3  -0.759  -7.065  -1.566
   23    HE1  TRP   3           HE1      TRP   3  -1.493  -7.224   0.994
   24    HE3  TRP   3           HE3      TRP   3  -3.557  -2.848  -1.516
   25    HZ2  TRP   3           HZ2      TRP   3  -3.360  -5.747   2.544
   26    HZ3  TRP   3           HZ3      TRP   3  -4.798  -2.250   0.493
   27    HH2  TRP   3           HH2      TRP   3  -4.705  -3.665   2.530
   28    H    GLN   4           H        GLN   4  -0.773  -0.965  -3.266
   29    HA   GLN   4           HA       GLN   4  -3.378  -0.076  -3.023
   30   1HB   GLN   4          1HB       GLN   4  -2.668   2.124  -3.209
   31   2HB   GLN   4          2HB       GLN   4  -1.317   1.252  -2.566
   32   1HG   GLN   4          1HG       GLN   4  -1.629   2.465  -5.385
   33   2HG   GLN   4          2HG       GLN   4  -0.590   3.012  -4.098
   34   1HE2  GLN   4          1HE2      GLN   4  -0.944   0.702  -6.549
   35   2HE2  GLN   4          2HE2      GLN   4   0.756   0.025  -6.477
   36    H    ARG   5           H        ARG   5  -2.331  -1.059  -6.055
   37    HA   ARG   5           HA       ARG   5  -5.104  -0.475  -7.119
   38   1HB   ARG   5          1HB       ARG   5  -2.538   0.495  -8.391
   39   2HB   ARG   5          2HB       ARG   5  -3.471  -0.407  -9.495
   40   1HG   ARG   5          1HG       ARG   5  -4.655   1.957  -7.853
   41   2HG   ARG   5          2HG       ARG   5  -3.807   2.153  -9.362
   42   1HD   ARG   5          1HD       ARG   5  -6.037   2.217 -10.051
   43   2HD   ARG   5          2HD       ARG   5  -5.503   0.594 -10.517
   44    HE   ARG   5           HE       ARG   5  -6.736   0.555  -7.814
   45   1HH1  ARG   5          1HH1      ARG   5  -7.658   0.827 -11.151
   46   2HH1  ARG   5          2HH1      ARG   5  -9.314   0.117 -10.841
   47   1HH2  ARG   5          1HH2      ARG   5  -8.608  -0.282  -7.490
   48   2HH2  ARG   5          2HH2      ARG   5  -9.805  -0.475  -8.850
   49    H    ASN   6           H        ASN   6  -3.786  -2.924  -5.935
   50    HA   ASN   6           HA       ASN   6  -4.699  -4.903  -8.105
   51   1HB   ASN   6          1HB       ASN   6  -1.913  -4.863  -6.761
   52   2HB   ASN   6          2HB       ASN   6  -2.566  -6.287  -7.506
   53   1HD2  ASN   6          1HD2      ASN   6  -0.588  -3.750  -8.202
   54   2HD2  ASN   6          2HD2      ASN   6  -0.751  -3.868 -10.032
   55    H    ILE   7           H        ILE   7  -6.518  -4.972  -6.467
   56    HA   ILE   7           HA       ILE   7  -5.801  -7.003  -4.300
   57    HB   ILE   7           HB       ILE   7  -8.494  -5.835  -3.867
   58   1HG1  ILE   7          1HG1      ILE   7  -7.402  -3.690  -4.497
   59   2HG1  ILE   7          2HG1      ILE   7  -8.037  -3.786  -2.868
   60   1HG2  ILE   7          1HG2      ILE   7  -7.691  -6.002  -1.484
   61   2HG2  ILE   7          2HG2      ILE   7  -7.394  -7.522  -2.381
   62   3HG2  ILE   7          3HG2      ILE   7  -6.059  -6.405  -2.062
   63   1HD1  ILE   7          1HD1      ILE   7  -5.038  -4.212  -3.467
   64   2HD1  ILE   7          2HD1      ILE   7  -5.745  -2.640  -3.003
   65   3HD1  ILE   7          3HD1      ILE   7  -5.813  -4.023  -1.886
   66    H    ARG   8           H        ARG   8  -8.410  -6.428  -6.671
   67    HA   ARG   8           HA       ARG   8  -9.655  -9.069  -6.083
   68   1HB   ARG   8          1HB       ARG   8 -11.128  -8.634  -8.020
   69   2HB   ARG   8          2HB       ARG   8 -11.214  -7.434  -6.757
   70   1HG   ARG   8          1HG       ARG   8 -10.007  -5.745  -8.085
   71   2HG   ARG   8          2HG       ARG   8  -9.426  -6.948  -9.212
   72   1HD   ARG   8          1HD       ARG   8 -11.057  -5.786 -10.422
   73   2HD   ARG   8          2HD       ARG   8 -11.821  -7.335 -10.044
   74    HE   ARG   8           HE       ARG   8 -12.658  -5.626  -7.908
   75   1HH1  ARG   8          1HH1      ARG   8 -12.977  -5.525 -11.375
   76   2HH1  ARG   8          2HH1      ARG   8 -14.515  -4.541 -11.282
   77   1HH2  ARG   8          1HH2      ARG   8 -14.418  -4.511  -7.841
   78   2HH2  ARG   8          2HH2      ARG   8 -15.274  -4.012  -9.367
   79    H    LYS   9           H        LYS   9  -7.241  -7.965  -8.369
   80    HA   LYS   9           HA       LYS   9  -7.072 -10.614  -9.718
   81   1HB   LYS   9          1HB       LYS   9  -5.251  -9.815 -10.955
   82   2HB   LYS   9          2HB       LYS   9  -6.414  -8.532 -10.897
   83   1HG   LYS   9          1HG       LYS   9  -4.658  -7.132 -10.354
   84   2HG   LYS   9          2HG       LYS   9  -4.829  -7.755  -8.742
   85   1HD   LYS   9          1HD       LYS   9  -2.581  -8.078  -9.027
   86   2HD   LYS   9          2HD       LYS   9  -3.104  -9.674  -9.467
   87   1HE   LYS   9          1HE       LYS   9  -2.510  -7.368 -11.487
   88   2HE   LYS   9          2HE       LYS   9  -1.286  -8.496 -10.929
   89   1HZ   LYS   9          1HZ       LYS   9  -2.656 -10.370 -11.869
   90   2HZ   LYS   9          2HZ       LYS   9  -3.767  -9.305 -12.436
   91   3HZ   LYS   9          3HZ       LYS   9  -2.245  -9.305 -13.055
   92    H    VAL  10           H        VAL  10  -6.031  -9.550  -6.674
   93    HA   VAL  10           HA       VAL  10  -4.077 -11.891  -6.338
   94    HB   VAL  10           HB       VAL  10  -4.514  -9.435  -4.523
   95   1HG1  VAL  10          1HG1      VAL  10  -2.643 -10.366  -3.098
   96   2HG1  VAL  10          2HG1      VAL  10  -4.048 -11.437  -3.076
   97   3HG1  VAL  10          3HG1      VAL  10  -2.632 -11.860  -4.064
   98   1HG2  VAL  10          1HG2      VAL  10  -2.006 -10.319  -6.118
   99   2HG2  VAL  10          2HG2      VAL  10  -3.054  -8.933  -6.506
  100   3HG2  VAL  10          3HG2      VAL  10  -2.109  -8.923  -5.012
  101    H    ARG  11           H        ARG  11  -6.761 -10.394  -4.506
  102    HA   ARG  11           HA       ARG  11  -8.410 -12.714  -4.667
  103   1HB   ARG  11          1HB       ARG  11  -6.640 -13.481  -2.831
  104   2HB   ARG  11          2HB       ARG  11  -7.466 -12.410  -1.730
  105   1HG   ARG  11          1HG       ARG  11  -9.645 -13.748  -2.172
  106   2HG   ARG  11          2HG       ARG  11  -8.738 -14.771  -3.279
  107   1HD   ARG  11          1HD       ARG  11  -7.095 -15.190  -1.155
  108   2HD   ARG  11          2HD       ARG  11  -8.392 -14.490  -0.225
  109    HE   ARG  11           HE       ARG  11  -9.757 -16.465  -0.568
  110   1HH1  ARG  11          1HH1      ARG  11  -7.027 -16.605  -2.709
  111   2HH1  ARG  11          2HH1      ARG  11  -7.288 -18.381  -3.067
  112   1HH2  ARG  11          1HH2      ARG  11 -10.038 -18.481  -0.990
  113   2HH2  ARG  11          2HH2      ARG  11  -8.931 -19.368  -2.130
  114   1HN   NH2  12          1HN       NH2  12  -9.822  -9.570  -2.448
  115   2HN   NH2  12          2HN       NH2  12  -8.137 -10.181  -2.020
  116   1H2   DAO  13          1H2       DAO  13  -0.557   0.973   1.659
  117   2H2   DAO  13          2H2       DAO  13  -1.827   1.073   0.448
  118   1H3   DAO  13          1H3       DAO  13  -2.669  -0.505   2.088
  119   2H3   DAO  13          2H3       DAO  13  -2.215  -1.417   0.673
  120   1H4   DAO  13          1H4       DAO  13  -1.260  -2.804   2.210
  121   2H4   DAO  13          2H4       DAO  13   0.130  -1.766   1.947
  122   1H5   DAO  13          1H5       DAO  13  -1.895  -1.460   4.256
  123   2H5   DAO  13          2H5       DAO  13  -0.496  -0.417   4.001
  124   1H6   DAO  13          1H6       DAO  13  -0.333  -3.481   4.358
  125   2H6   DAO  13          2H6       DAO  13   1.057  -2.420   4.264
  126   1H7   DAO  13          1H7       DAO  13  -1.062  -2.121   6.510
  127   2H7   DAO  13          2H7       DAO  13   0.178  -3.344   6.571
  128   1H8   DAO  13          1H8       DAO  13   1.059  -1.647   7.882
  129   2H8   DAO  13          2H8       DAO  13   1.991  -1.547   6.402
  130   1H9   DAO  13          1H9       DAO  13  -0.424   0.295   7.043
  131   2H9   DAO  13          2H9       DAO  13   0.645   0.431   5.655
  132   1H10  DAO  13          1H10      DAO  13   2.619   0.852   7.214
  133   2H10  DAO  13          2H10      DAO  13   1.387   2.102   7.154
  134   1H11  DAO  13          1H11      DAO  13   0.352   1.219   9.302
  135   2H11  DAO  13          2H11      DAO  13   1.615  -0.007   9.402
  136   1H12  DAO  13          1H12      DAO  13   2.116   3.053   9.439
  137   2H12  DAO  13          2H12      DAO  13   2.200   1.958  10.838
  138   3H12  DAO  13          3H12      DAO  13   3.393   1.810   9.527
  Start of MODEL   20
    1   1H    PHE   1          1H        PHE   1   2.283  -0.272   0.632
    2    HA   PHE   1           HA       PHE   1   2.065   0.777  -2.135
    3   1HB   PHE   1          1HB       PHE   1   4.534   0.748  -2.035
    4   2HB   PHE   1          2HB       PHE   1   3.829   1.725  -0.780
    5    HD1  PHE   1           HD1      PHE   1   4.107   1.138   1.626
    6    HD2  PHE   1           HD2      PHE   1   5.758  -1.395  -1.431
    7    HE1  PHE   1           HE1      PHE   1   5.509   0.013   3.308
    8    HE2  PHE   1           HE2      PHE   1   7.165  -2.506   0.262
    9    HZ   PHE   1           HZ       PHE   1   7.039  -1.806   2.632
   10    H    GLN   2           H        GLN   2   2.062  -2.249  -0.614
   11    HA   GLN   2           HA       GLN   2   3.344  -3.884  -2.772
   12   1HB   GLN   2          1HB       GLN   2   2.452  -5.784  -1.333
   13   2HB   GLN   2          2HB       GLN   2   3.726  -4.797  -0.663
   14   1HG   GLN   2          1HG       GLN   2   2.152  -3.602   0.832
   15   2HG   GLN   2          2HG       GLN   2   0.763  -4.379   0.101
   16   1HE2  GLN   2          1HE2      GLN   2   3.232  -4.688   2.503
   17   2HE2  GLN   2          2HE2      GLN   2   2.689  -6.360   3.052
   18    H    TRP   3           H        TRP   3   0.092  -2.748  -2.010
   19    HA   TRP   3           HA       TRP   3  -0.789  -3.689  -4.680
   20   1HB   TRP   3          1HB       TRP   3  -2.788  -5.078  -3.743
   21   2HB   TRP   3          2HB       TRP   3  -1.196  -5.764  -3.859
   22    HD1  TRP   3           HD1      TRP   3  -0.582  -7.233  -1.985
   23    HE1  TRP   3           HE1      TRP   3  -1.054  -7.556   0.611
   24    HE3  TRP   3           HE3      TRP   3  -3.484  -3.120  -1.423
   25    HZ2  TRP   3           HZ2      TRP   3  -2.825  -6.240   2.418
   26    HZ3  TRP   3           HZ3      TRP   3  -4.499  -2.655   0.736
   27    HH2  TRP   3           HH2      TRP   3  -4.201  -4.196   2.657
   28    H    GLN   4           H        GLN   4  -0.815  -1.076  -3.208
   29    HA   GLN   4           HA       GLN   4  -3.419  -0.200  -2.755
   30   1HB   GLN   4          1HB       GLN   4  -2.706   2.000  -2.825
   31   2HB   GLN   4          2HB       GLN   4  -1.320   1.092  -2.318
   32   1HG   GLN   4          1HG       GLN   4  -1.792   2.459  -5.052
   33   2HG   GLN   4          2HG       GLN   4  -0.721   2.976  -3.781
   34   1HE2  GLN   4          1HE2      GLN   4  -1.121   0.663  -6.284
   35   2HE2  GLN   4          2HE2      GLN   4   0.635   0.131  -6.328
   36    H    ARG   5           H        ARG   5  -2.423  -0.898  -5.925
   37    HA   ARG   5           HA       ARG   5  -5.154  -0.001  -7.014
   38   1HB   ARG   5          1HB       ARG   5  -2.892   1.060  -7.980
   39   2HB   ARG   5          2HB       ARG   5  -2.607  -0.518  -8.671
   40   1HG   ARG   5          1HG       ARG   5  -3.525   0.798 -10.413
   41   2HG   ARG   5          2HG       ARG   5  -4.816  -0.276  -9.957
   42   1HD   ARG   5          1HD       ARG   5  -5.847   1.842 -10.299
   43   2HD   ARG   5          2HD       ARG   5  -5.850   1.651  -8.540
   44    HE   ARG   5           HE       ARG   5  -3.408   3.022  -9.029
   45   1HH1  ARG   5          1HH1      ARG   5  -6.735   3.731  -9.771
   46   2HH1  ARG   5          2HH1      ARG   5  -6.420   5.532  -9.834
   47   1HH2  ARG   5          1HH2      ARG   5  -3.082   5.079  -9.134
   48   2HH2  ARG   5          2HH2      ARG   5  -4.443   6.236  -9.479
   49    H    ASN   6           H        ASN   6  -3.899  -2.770  -5.781
   50    HA   ASN   6           HA       ASN   6  -4.911  -4.629  -8.026
   51   1HB   ASN   6          1HB       ASN   6  -2.089  -4.597  -6.787
   52   2HB   ASN   6          2HB       ASN   6  -2.682  -5.898  -7.779
   53   1HD2  ASN   6          1HD2      ASN   6  -3.632  -4.959 -10.032
   54   2HD2  ASN   6          2HD2      ASN   6  -2.412  -3.831 -10.799
   55    H    ILE   7           H        ILE   7  -6.547  -4.686  -6.077
   56    HA   ILE   7           HA       ILE   7  -5.849  -7.219  -4.518
   57    HB   ILE   7           HB       ILE   7  -8.447  -6.167  -3.661
   58   1HG1  ILE   7          1HG1      ILE   7  -7.516  -3.896  -4.163
   59   2HG1  ILE   7          2HG1      ILE   7  -8.093  -4.213  -2.550
   60   1HG2  ILE   7          1HG2      ILE   7  -7.132  -7.921  -2.484
   61   2HG2  ILE   7          2HG2      ILE   7  -5.831  -6.758  -2.164
   62   3HG2  ILE   7          3HG2      ILE   7  -7.423  -6.523  -1.406
   63   1HD1  ILE   7          1HD1      ILE   7  -5.889  -2.872  -2.617
   64   2HD1  ILE   7          2HD1      ILE   7  -5.815  -4.350  -1.633
   65   3HD1  ILE   7          3HD1      ILE   7  -5.085  -4.335  -3.245
   66    H    ARG   8           H        ARG   8  -7.683  -6.421  -7.187
   67    HA   ARG   8           HA       ARG   8  -9.628  -8.719  -6.865
   68   1HB   ARG   8          1HB       ARG   8  -9.261  -6.987  -9.336
   69   2HB   ARG   8          2HB       ARG   8 -10.599  -8.062  -8.977
   70   1HG   ARG   8          1HG       ARG   8  -9.966  -5.474  -7.381
   71   2HG   ARG   8          2HG       ARG   8 -11.041  -5.556  -8.744
   72   1HD   ARG   8          1HD       ARG   8 -12.746  -5.899  -7.255
   73   2HD   ARG   8          2HD       ARG   8 -12.217  -7.548  -7.205
   74    HE   ARG   8           HE       ARG   8 -11.283  -7.225  -4.989
   75   1HH1  ARG   8          1HH1      ARG   8 -12.054  -4.116  -6.337
   76   2HH1  ARG   8          2HH1      ARG   8 -11.974  -3.296  -4.703
   77   1HH2  ARG   8          1HH2      ARG   8 -11.244  -6.278  -3.140
   78   2HH2  ARG   8          2HH2      ARG   8 -11.526  -4.487  -2.995
   79    H    LYS   9           H        LYS   9  -6.588  -8.150  -8.489
   80    HA   LYS   9           HA       LYS   9  -6.471 -10.884  -9.688
   81   1HB   LYS   9          1HB       LYS   9  -4.096 -10.561 -10.033
   82   2HB   LYS   9          2HB       LYS   9  -5.034  -9.289 -10.755
   83   1HG   LYS   9          1HG       LYS   9  -4.089  -7.589  -9.447
   84   2HG   LYS   9          2HG       LYS   9  -4.026  -8.557  -8.004
   85   1HD   LYS   9          1HD       LYS   9  -1.770  -8.156  -8.512
   86   2HD   LYS   9          2HD       LYS   9  -2.042  -9.848  -8.886
   87   1HE   LYS   9          1HE       LYS   9  -2.252  -9.222 -11.390
   88   2HE   LYS   9          2HE       LYS   9  -1.949  -7.533 -10.970
   89   1HZ   LYS   9          1HZ       LYS   9   0.251  -8.249  -9.990
   90   2HZ   LYS   9          2HZ       LYS   9  -0.029  -9.805 -10.410
   91   3HZ   LYS   9          3HZ       LYS   9   0.182  -8.669 -11.577
   92    H    VAL  10           H        VAL  10  -5.603  -9.495  -6.543
   93    HA   VAL  10           HA       VAL  10  -4.625 -12.236  -5.550
   94    HB   VAL  10           HB       VAL  10  -4.211  -9.492  -4.222
   95   1HG1  VAL  10          1HG1      VAL  10  -4.286 -11.369  -2.535
   96   2HG1  VAL  10          2HG1      VAL  10  -3.042 -12.260  -3.441
   97   3HG1  VAL  10          3HG1      VAL  10  -2.656 -10.704  -2.665
   98   1HG2  VAL  10          1HG2      VAL  10  -2.102 -11.243  -5.677
   99   2HG2  VAL  10          2HG2      VAL  10  -2.705  -9.661  -6.225
  100   3HG2  VAL  10          3HG2      VAL  10  -1.761  -9.767  -4.736
  101    H    ARG  11           H        ARG  11  -6.943 -12.760  -5.813
  102    HA   ARG  11           HA       ARG  11  -9.035 -11.424  -4.350
  103   1HB   ARG  11          1HB       ARG  11  -8.912 -14.229  -5.625
  104   2HB   ARG  11          2HB       ARG  11 -10.330 -13.660  -4.789
  105   1HG   ARG  11          1HG       ARG  11 -10.344 -11.565  -6.291
  106   2HG   ARG  11          2HG       ARG  11  -9.072 -12.313  -7.240
  107   1HD   ARG  11          1HD       ARG  11 -11.744 -13.783  -6.708
  108   2HD   ARG  11          2HD       ARG  11 -11.687 -12.539  -7.917
  109    HE   ARG  11           HE       ARG  11 -10.532 -15.279  -8.158
  110   1HH1  ARG  11          1HH1      ARG  11 -10.065 -12.050  -9.381
  111   2HH1  ARG  11          2HH1      ARG  11  -9.672 -12.666 -11.057
  112   1HH2  ARG  11          1HH2      ARG  11 -10.014 -15.940 -10.055
  113   2HH2  ARG  11          2HH2      ARG  11  -9.607 -14.767 -11.385
  114   1HN   NH2  12          1HN       NH2  12  -8.583 -12.750  -0.999
  115   2HN   NH2  12          2HN       NH2  12  -8.414 -11.272  -2.072
  116   1H2   DAO  13          1H2       DAO  13   0.027   0.364   1.873
  117   2H2   DAO  13          2H2       DAO  13  -1.369   0.657   0.849
  118   1H3   DAO  13          1H3       DAO  13  -2.069  -1.059   2.415
  119   2H3   DAO  13          2H3       DAO  13  -1.896  -1.801   0.849
  120   1H4   DAO  13          1H4       DAO  13  -0.768  -3.428   1.908
  121   2H4   DAO  13          2H4       DAO  13   0.623  -2.388   1.796
  122   1H5   DAO  13          1H5       DAO  13  -0.102  -3.557   4.086
  123   2H5   DAO  13          2H5       DAO  13  -1.232  -2.229   4.259
  124   1H6   DAO  13          1H6       DAO  13   1.840  -2.017   3.930
  125   2H6   DAO  13          2H6       DAO  13   0.790  -0.606   4.026
  126   1H7   DAO  13          1H7       DAO  13   0.077  -1.145   6.302
  127   2H7   DAO  13          2H7       DAO  13   0.801  -2.742   6.267
  128   1H8   DAO  13          1H8       DAO  13   2.513  -0.187   5.962
  129   2H8   DAO  13          2H8       DAO  13   2.054  -0.813   7.537
  130   1H9   DAO  13          1H9       DAO  13   3.553  -2.544   5.466
  131   2H9   DAO  13          2H9       DAO  13   3.175  -2.980   7.131
  132   1H10  DAO  13          1H10      DAO  13   5.028  -0.674   6.230
  133   2H10  DAO  13          2H10      DAO  13   4.611  -0.984   7.917
  134   1H11  DAO  13          1H11      DAO  13   5.637  -3.273   7.799
  135   2H11  DAO  13          2H11      DAO  13   5.988  -3.065   6.083
  136   1H12  DAO  13          1H12      DAO  13   7.553  -1.140   6.609
  137   2H12  DAO  13          2H12      DAO  13   7.182  -1.305   8.346
  138   3H12  DAO  13          3H12      DAO  13   8.030  -2.612   7.487