*HEADER    APOLIPOPROTEIN                          08-MAY-97   1OPP      
*TITLE     PEPTIDE OF HUMAN APOLIPOPROTEIN C-I RESIDUES 1-38,            
*TITLE    2 NMR, 28 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: APOLIPOPROTEIN C-I;                                
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: RESIDUES 1 - 38;                                   
*COMPND   5 SYNONYM: APO-CI;                                             
*COMPND   6 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN                                       
*KEYWDS    APOLIPOPROTEIN, AMPHIPATHIC HELIX, LIPID ASSOCIATION, LCAT    
*KEYWDS   2 ACTIVATION                                                   
*EXPDTA    NMR, 28 STRUCTURES                                            
*AUTHOR    A.ROZEK,G.W.BUCHKO,P.KANDA,R.J.CUSHLEY                        
*REVDAT   1   12-OCT-04 1OPP    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_4:HG2*    1:VAL_4:HG1*    1:VAL_4:CG2     1:VAL_4:CG1     1:VAL_4:CB     
1:LEU_8:HD2*    1:LEU_8:HD1*    1:LEU_8:CD2     1:LEU_8:CD1     1:LEU_8:CG     
1:LEU_11:HD1*   1:LEU_11:HD2*   1:LEU_11:CD1    1:LEU_11:CD2    1:LEU_11:CG    
1:LEU_25:HD1*   1:LEU_25:HD2*   1:LEU_25:CD1    1:LEU_25:CD2    1:LEU_25:CG    
1:LEU_34:HD1*   1:LEU_34:HD2*   1:LEU_34:CD1    1:LEU_34:CD2    1:LEU_34:CG    
!
#NOE_distance
1:THRN_1:HA        1:PRO_2:HDS         1.800  3.030  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HA        1:VAL_4:HGR*        2.500  8.500  8.500 10.00 10.00 1000.000  0.00
1:THRN_1:HG*       1:VAL_4:HA          1.800  4.950  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HA        1:PRO_2:HDR         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HB        1:PRO_2:HDR         2.500  4.120  4.000 10.00 10.00 1000.000  0.00
1:THRN_1:HB        1:PRO_2:HDS         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THRN_1:HG*       1:PRO_2:HDR         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HG*       1:PRO_2:HDS         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HA        1:THRN_1:HG*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:THRN_1:HB        1:THRN_1:HG*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:PRO_2:HA         1:ASP-_3:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:ASP-_3:HN         1.800  3.000  4.000 10.00 10.00 1000.000  0.00
1:PRO_2:HBS        1:ASP-_3:HN         1.800  3.000  4.000 10.00 10.00 1000.000  0.00
1:PRO_2:HGS        1:PRO_2:HDR         1.800  3.000  4.888 10.00 10.00 1000.000  0.00
1:PRO_2:HGR        1:PRO_2:HDR         1.800  3.000  5.845 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HA          1.800  3.040  4.890 10.00 10.00 1000.000  0.00
1:PRO_2:HDS        1:PRO_2:HDR         1.800  3.000  4.845 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HGS         1.800  3.000  5.890 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HGR         1.800  3.030  5.890 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HBS         1.800  3.000  4.890 10.00 10.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HDR         2.500  4.000  8.735 10.00 10.00 1000.000  0.00
1:PRO_2:HBS        1:PRO_2:HDS         2.500  4.000  7.735 10.00 10.00 1000.000  0.00
1:PRO_2:HGS        1:PRO_2:HDS         1.800  3.000  4.888 10.00 10.00 1000.000  0.00
1:ASP-_3:HA        1:SER_6:HN          3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HA        1:VAL_4:HB          3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HA        1:VAL_4:HGS*        1.800  7.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HA        1:VAL_4:HGR*        2.500  7.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HBS       1:ASP-_3:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HBR       1:ASP-_3:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HBS       1:ASP-_3:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_3:HBR       1:ASP-_3:HA         1.800  3.100  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:SER_6:HN          3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:ALA_7:HN          2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:LEU_8:HN          3.500  5.200  5.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:ALA_7:HB*         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HGS*       1:ALA_7:HB*         2.500  7.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_4:HB         1:ALA_7:HB*         2.500  5.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:VAL_4:HN          1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HB         1:VAL_4:HN          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HGS*       1:VAL_4:HN          1.800  4.700  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HGR*       1:VAL_4:HN          1.800  4.550  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:VAL_4:HGS*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:VAL_4:HGR*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HA         1:VAL_4:HB          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HB         1:VAL_4:HGS*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_4:HB         1:VAL_4:HGR*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:ALA_7:HN          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:ASP-_9:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:ASP-_9:HBS        2.500  4.080  4.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:ASP-_9:HBR        2.500  4.020  4.000 10.00 10.00 1000.000  0.00
1:SER_6:HB*        1:ASP-_9:HBR        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_6:HB*        1:ASP-_9:HBS        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:SER_6:HN          1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:SER_6:HA         1:SER_6:HB*         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:SER_5:HN         1:ALA_7:HN          2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_5:HN         1:SER_6:HN          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_5:HA         1:SER_5:HN          1.800  3.050  3.000 10.00 10.00 1000.000  0.00
1:SER_5:HA         1:SER_5:HB*         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_7:HA         1:LEU_8:HN          1.800  3.370  3.000 10.00 10.00 1000.000  0.00
1:ALA_7:HB*        1:ALA_7:HN          1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_7:HA         1:ALA_7:HB*         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_7:HA         1:ASP-_9:HBR        2.500  4.310  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HN         1:ASP-_9:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:ASP-_9:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HDS*       1:ASP-_9:HN         3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HBS        1:ASP-_9:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HBR        1:ASP-_9:HN         2.500  4.030  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HDR*       1:ASP-_9:HA         3.500  6.700  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HDS*       1:ASP-_9:HA         3.500  6.750  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_11:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_11:HBR        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LYS+_12:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HN          1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HBR        1:LEU_8:HN          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HBS        1:LEU_8:HN          1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HDR*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HDS*        1.800  4.650  3.000 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:LEU_8:HBR         1.800  3.000  4.753 10.00 10.00 1000.000  0.00
1:LEU_8:HBR        1:LEU_8:HBS         1.800  3.000  4.753 10.00 10.00 1000.000  0.00
1:ASP-_9:HN        1:LYS+_10:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LYS+_10:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBS       1:LYS+_10:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBR       1:LYS+_10:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LEU_11:HN         2.500  4.210  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LYS+_12:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LYS+_12:HD*       2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LYS+_12:HG*       3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HA        1:LYS+_12:HB*       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBS       1:ASP-_9:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBR       1:ASP-_9:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBS       1:ASP-_9:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_9:HBR       1:ASP-_9:HA         1.800  3.090  3.000 10.00 10.00 1000.000  0.00
1:LYS+_10:HN       1:LEU_11:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_10:HBS      1:LEU_11:HN         2.500  4.000  5.758 10.00 10.00 1000.000  0.00
1:LYS+_10:HA       1:LYS+_10:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_10:HBS      1:LYS+_10:HN        2.500  4.000  5.758 10.00 10.00 1000.000  0.00
1:LEU_11:HN        1:LYS+_12:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HA        1:PHE_14:HBS        2.500  5.000  5.758 10.00 10.00 1000.000  0.00
1:LEU_11:HA        1:PHE_14:HN         2.500  4.200  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HA        1:PHE_14:HD*        1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_11:HDR*      1:PHE_14:HBS        2.500  5.600  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HDS*      1:PHE_14:HBS        2.500  5.600  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HA        1:GLY_15:HN         3.500  5.040  5.000 10.00 10.00 1000.000  0.00
1:LEU_11:HBR       1:LYS+_12:HN        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HBR       1:LEU_11:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HBS       1:LEU_11:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_11:HDR*      1:LEU_11:HN         1.800  4.600  3.000 10.00 10.00 1000.000  0.00
1:LEU_11:HDS*      1:LEU_11:HN         1.800  4.560  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:GLY_15:HN         2.500  4.250  4.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HN       1:GLU-_13:HN        3.500  7.000  7.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:GLU-_13:HN        2.480  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HB*      1:GLU-_13:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:ASN_16:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:LYS+_12:HN        1.800  3.010  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HB*      1:LYS+_12:HN        2.490  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:LYS+_12:HD*       1.800  4.010  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:LYS+_12:HE*       2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HA       1:LYS+_12:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HB*      1:LYS+_12:HG*       1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HB*      1:LYS+_12:HD*       1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_12:HD*      1:LYS+_12:HG*       1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:PHE_14:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HB*      1:PHE_14:HN         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HN       1:PHE_14:HN         3.440  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:ASN_16:HBS        2.500  4.100  4.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:ASN_16:HBR        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:ASN_16:HD21       3.500  5.220  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:ASN_16:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:THR_17:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:GLU-_13:HGS       2.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:GLU-_13:HGR       2.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:GLU-_13:HB*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HN        1:GLY_15:HN         3.180  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:GLY_15:HN         3.400  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBR       1:GLY_15:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBS       1:GLY_15:HN         3.360  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:GLY_15:HAR        3.500  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:GLY_15:HAS        3.500  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:GLY_15:HN         2.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:THR_17:HG*        2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:THR_17:HB         2.500  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:THR_17:HG*        2.500  7.600  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HD*       1:LEU_18:HD*        1.800  7.400  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HE*       1:LEU_18:HD*        1.800  7.400  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:PHE_14:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBR       1:PHE_14:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBS       1:PHE_14:HN         2.380  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBR       1:PHE_14:HD*        1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HBS       1:PHE_14:HD*        1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HN        1:PHE_14:HD*        2.500  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:PHE_14:HBR        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_14:HA        1:PHE_14:HBS        1.800  3.100  3.000 10.00 10.00 1000.000  0.00
1:GLY_15:HN        1:ASN_16:HN         1.800  3.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_15:HAR       1:ASN_16:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_15:HAS       1:ASN_16:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_15:HAR       1:LEU_18:HD*        2.500  6.400  5.776 10.00 10.00 1000.000  0.00
1:GLY_15:HAS       1:LEU_18:HN         3.500  5.500  6.776 10.00 10.00 1000.000  0.00
1:GLY_15:HAR       1:GLY_15:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_15:HAS       1:GLY_15:HN         2.400  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HN        1:THR_17:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HBS       1:THR_17:HN         2.500  4.100  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HBR       1:THR_17:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:GLU-_19:HBR       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:GLU-_19:HBS       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:GLU-_19:HG*       3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:ASN_16:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_16:HBS       1:ASN_16:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_16:HBR       1:ASN_16:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:ASN_16:HBS        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_16:HA        1:ASN_16:HBR        1.800  3.090  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:LEU_18:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HN        1:LEU_18:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:LEU_18:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HB        1:LEU_18:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:LEU_18:HA         3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:THR_17:HB        1:LEU_18:HD*        3.500  7.400  5.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:LEU_18:HD*        3.500  8.900  5.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:GLU-_19:HN        3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:ASP-_20:HBS       2.500  4.010  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:ASP-_20:HBR       2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:ASP-_20:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:LYS+_21:HD*       2.500  6.600  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:LYS+_21:HE*       1.800  5.600  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:THR_17:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:THR_17:HB        1:THR_17:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HG*       1:THR_17:HN         2.500  4.200  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HA        1:THR_17:HG*        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_17:HB        1:THR_17:HG*        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_18:HN        1:GLU-_19:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_18:HB*       1:GLU-_19:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HA        1:GLU-_19:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HD*       1:GLU-_19:HN        2.500  6.400  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HG        1:GLU-_19:HN        2.500  4.040  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HA        1:LYS+_21:HG*       2.500  5.100  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HA        1:LYS+_21:HD*       3.350  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_18:HD*       1:LYS+_21:HB*       3.500  8.700  5.000 10.00 10.00 1000.000  0.00
1:LEU_18:HD*       1:LYS+_21:HD*       3.500  8.400  5.000 10.00 10.00 1000.000  0.00
1:LEU_18:HD*       1:LEU_18:HN         1.800  5.400  3.000 10.00 10.00 1000.000  0.00
1:LEU_18:HB*       1:LEU_18:HN         2.490  5.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HA        1:LEU_18:HD*        1.800  5.400  3.000 10.00 10.00 1000.000  0.00
1:LEU_18:HA        1:LEU_18:HG         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_18:HG        1:LEU_18:HD*        1.800  5.400  3.000 10.00 10.00 1000.000  0.00
1:LEU_18:HB*       1:LEU_18:HD*        1.800  6.400  3.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HN       1:ASP-_20:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ASP-_20:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HBR      1:ASP-_20:HN        2.500  4.420  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HBS      1:ASP-_20:HN        2.500  4.030  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ALA_22:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ALA_22:HB*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ARG+_23:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ARG+_23:HG*       3.500  6.150  5.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:ARG+_23:HB*       3.500  6.150  5.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:GLU-_19:HN        1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HG*      1:GLU-_19:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HBR      1:GLU-_19:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HBS      1:GLU-_19:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:GLU-_19:HBR       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:GLU-_19:HBS       1.800  3.100  3.000 10.00 10.00 1000.000  0.00
1:GLU-_19:HA       1:GLU-_19:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HN       1:LYS+_21:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HBS      1:LYS+_21:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HBR      1:LYS+_21:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:LYS+_21:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ALA_22:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ALA_22:HB*        3.500  6.600  5.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HDS       2.500  4.030  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HDR       2.500  4.200  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HB*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HG*       2.480  5.040  4.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ARG+_23:HE        3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ASP-_20:HN        1.800  3.040  3.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HBS      1:ASP-_20:HN        2.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HBR      1:ASP-_20:HN        2.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ASP-_20:HBS       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASP-_20:HA       1:ASP-_20:HBR       1.800  3.100  3.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HN       1:ALA_22:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HA       1:ALA_22:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HB*      1:ALA_22:HN         2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HD*      1:ALA_22:HN         2.500  5.150  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HG*      1:ALA_22:HN         3.380  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HG*      1:LEU_25:HN         3.500  6.700  5.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HB*      1:LEU_25:HN         3.500  6.300  5.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HE*      1:LEU_25:HDR*       1.800  7.700  5.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HE*      1:LEU_25:HDS*       1.800  7.750  5.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HA       1:LYS+_21:HN        1.800  3.030  3.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HG*      1:LYS+_21:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HB*      1:LYS+_21:HN        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HD*      1:LYS+_21:HN        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HA       1:LYS+_21:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HD*      1:LYS+_21:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_21:HB*      1:LYS+_21:HD*       1.800  5.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HN        1:ARG+_23:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HB*       1:ARG+_23:HN        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:LEU_25:HN         2.500  4.200  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HB*       1:LEU_25:HN         2.500  5.900  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HB*       1:ILE_26:HN         3.500  6.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HB*       1:ILE_26:HD1*       2.500  7.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:ILE_26:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:LEU_25:HBR        3.500  5.250  5.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:LEU_25:HBS        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:LEU_25:HDR*       2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:LEU_25:HDS*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:ALA_22:HN         1.800  3.030  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HB*       1:ALA_22:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_22:HA        1:ALA_22:HB*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ILE_26:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:SER_27:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ILE_26:HG1S       3.500  5.000  6.750 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ILE_26:HG2*       1.800  4.800  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ILE_26:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:LEU_25:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ARG+_23:HN        1.800  3.040  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HE       1:ARG+_23:HDS       2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HE       1:ARG+_23:HDR       2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HB*      1:ARG+_23:HN        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HG*      1:ARG+_23:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HB*      1:ARG+_23:HE        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HG*      1:ARG+_23:HE        2.470  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ARG+_23:HB*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ARG+_23:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ARG+_23:HDS       2.500  4.150  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HA       1:ARG+_23:HDR       2.500  4.130  4.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HB*      1:ARG+_23:HDR       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_23:HB*      1:ARG+_23:HDS       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HN       1:LEU_25:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HGR      1:LEU_25:HN         2.500  4.100  5.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HGS      1:LEU_25:HN         3.460  5.040  5.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HBR      1:LEU_25:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HBS      1:LEU_25:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HBS      1:SER_27:HB*        3.500  6.000  6.747 10.00 10.00 1000.000  0.00
1:GLU-_24:HBS      1:GLU-_24:HN        2.500  4.000  5.747 10.00 10.00 1000.000  0.00
1:GLU-_24:HA       1:GLU-_24:HGS       1.800  3.050  3.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HA       1:GLU-_24:HGR       1.800  3.080  3.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HA       1:GLU-_24:HBR       1.800  3.080  3.000 10.00 10.00 1000.000  0.00
1:GLU-_24:HA       1:GLU-_24:HBS       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_25:HN        1:ILE_26:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_25:HBR       1:ILE_26:HN         2.500  4.330  5.753 10.00 10.00 1000.000  0.00
1:LEU_25:HG        1:ILE_26:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HA        1:ILE_26:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_25:HA        1:ILE_29:HD1*       3.500  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HG        1:ILE_26:HA         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDR*      1:ARG+_28:HE        3.500  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDS*      1:ARG+_28:HN        3.500  6.700  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HN        1:ARG+_28:HN        3.500  5.070  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDR*      1:ARG+_28:HDR       2.500  7.200  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDS*      1:ARG+_28:HDS       2.500  7.200  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDR*      1:ARG+_28:HDS       2.500  7.200  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDS*      1:ARG+_28:HDR       2.500  7.200  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HG        1:ILE_29:HA         3.500  5.030  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HBR       1:LEU_25:HN         1.800  3.400  3.000 10.00 10.00 1000.000  0.00
1:LEU_25:HBS       1:LEU_25:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_25:HG        1:LEU_25:HN         2.500  4.600  4.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDR*      1:LEU_25:HN         1.800  5.400  3.000 10.00 10.00 1000.000  0.00
1:LEU_25:HDS*      1:LEU_25:HN         2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HN        1:SER_27:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HG1S      1:SER_27:HN         3.500  5.000  6.750 10.00 10.00 1000.000  0.00
1:ILE_26:HG2*      1:SER_27:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:SER_27:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:SER_27:HA         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_26:HD1*      1:SER_27:HB*        3.500  8.220  5.000 10.00 10.00 1000.000  0.00
1:ILE_26:HD1*      1:SER_27:HN         3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_26:HB        1:SER_27:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HN        1:ARG+_28:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ARG+_28:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:LYS+_30:HN        2.500  4.150  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_29:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_29:HB         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_29:HG1R       2.500  4.020  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_29:HG1S       2.500  4.030  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_29:HG2*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HG2*      1:LYS+_30:HN        2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_26:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HB        1:ILE_26:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HG1R      1:ILE_26:HN         1.800  4.500  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HG1S      1:ILE_26:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_26:HG2*      1:ILE_26:HN         1.800  4.570  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HD1*      1:ILE_26:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_26:HB         1.800  3.070  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_26:HG1R       1.800  3.240  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_26:HG1S       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HA        1:ILE_26:HG2*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HB        1:ILE_26:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HB        1:ILE_26:HG2*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_26:HB        1:ILE_26:HG1S       1.800  3.000  4.750 10.00 10.00 1000.000  0.00
1:ILE_26:HG1R      1:ILE_26:HG1S       1.800  3.000  4.750 10.00 10.00 1000.000  0.00
1:ILE_26:HG1S      1:ILE_26:HD1*       1.800  4.500  4.750 10.00 10.00 1000.000  0.00
1:ILE_26:HG1S      1:ILE_26:HG2*       1.800  4.500  4.750 10.00 10.00 1000.000  0.00
1:SER_27:HA        1:LYS+_30:HD*       2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_27:HA        1:LYS+_30:HB*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:SER_27:HA        1:LYS+_30:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_27:HB*       1:ARG+_28:HN        3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_27:HA        1:SER_27:HB*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:SER_27:HA        1:SER_27:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_27:HB*       1:SER_27:HN         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ILE_29:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ILE_29:HA         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ILE_29:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:LYS+_30:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBS      1:LYS+_30:HN        3.500  5.270  6.754 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:GLN_31:HBS        2.500  4.200  5.780 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HDS       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HE       1:ARG+_28:HDR       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HG*      1:ARG+_28:HE        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBR      1:ARG+_28:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBS      1:ARG+_28:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HG*      1:ARG+_28:HN        3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ARG+_28:HBR       1.800  3.000  4.754 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ARG+_28:HDS       3.500  5.100  5.783 10.00 10.00 1000.000  0.00
1:ARG+_28:HBR      1:ARG+_28:HBS       1.800  3.000  4.754 10.00 10.00 1000.000  0.00
1:ARG+_28:HBR      1:ARG+_28:HDR       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBS      1:ARG+_28:HDR       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HG*      1:ARG+_28:HDR       1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBR      1:ARG+_28:HDS       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HBS      1:ARG+_28:HDS       1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HG*      1:ARG+_28:HDS       1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:LYS+_30:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:LYS+_30:HA        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HG2*      1:LYS+_30:HN        2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:ILE_29:HD1*      1:LYS+_30:HN        2.500  5.580  4.000 10.00 10.00 1000.000  0.00
1:ILE_29:HB        1:LYS+_30:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_29:HN        1:LYS+_30:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HN        1:GLN_31:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:GLN_31:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:GLU-_33:HG*       3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:SER_32:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:SER_32:HBS        2.500  5.700  5.756 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:SER_32:HBR        2.500  5.700  5.756 10.00 10.00 1000.000  0.00
1:ILE_29:HG2*      1:SER_32:HN         3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_29:HB        1:ILE_29:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HG1S      1:ILE_29:HN         2.500  4.700  5.750 10.00 10.00 1000.000  0.00
1:ILE_29:HG2*      1:ILE_29:HN         1.800  4.530  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:ILE_29:HB         1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:ILE_29:HG1R       1.800  3.450  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:ILE_29:HG1S       1.800  3.490  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:ILE_29:HG2*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HA        1:ILE_29:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HB        1:ILE_29:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HB        1:ILE_29:HG2*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HB        1:ILE_29:HG1S       1.800  3.000  4.750 10.00 10.00 1000.000  0.00
1:ILE_29:HG1R      1:ILE_29:HG1S       1.800  3.000  4.750 10.00 10.00 1000.000  0.00
1:ILE_29:HG1R      1:ILE_29:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HG1S      1:ILE_29:HD1*       1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ILE_29:HG1S      1:ILE_29:HG2*       1.800  4.500  4.750 10.00 10.00 1000.000  0.00
1:LYS+_30:HN       1:GLN_31:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HB*      1:GLN_31:HN         2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HD*      1:GLN_31:HN         2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:GLN_31:HN         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:GLU-_33:HG*       3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:GLU-_33:HBR       3.500  5.000  6.747 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_30:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HB*      1:LYS+_30:HN        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HD*      1:LYS+_30:HN        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_30:HB*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_30:HA       1:LYS+_30:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HA        1:SER_32:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HGS       1:GLN_31:HN         2.500  4.650  4.000 10.00 10.00 1000.000  0.00
1:GLN_31:HGR       1:GLN_31:HN         2.500  4.320  4.000 10.00 10.00 1000.000  0.00
1:GLN_31:HBR       1:GLN_31:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HBS       1:GLN_31:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HA        1:GLN_31:HGS        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HA        1:GLN_31:HGR        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HA        1:GLN_31:HBR        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLN_31:HA        1:GLN_31:HBS        1.800  3.020  3.000 10.00 10.00 1000.000  0.00
1:SER_32:HN        1:GLU-_33:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:GLU-_33:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_32:HBS       1:GLU-_33:HN        3.500  5.000  4.756 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:GLU-_33:HG*       2.500  6.040  4.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:GLU-_33:HBR       2.500  5.000  5.747 10.00 10.00 1000.000  0.00
1:SER_32:HN        1:LEU_34:HN         3.500  5.030  5.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:LEU_34:HN         3.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:LEU_34:HDR*       3.500  6.600  5.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:LEU_34:HDS*       3.280  6.500  5.000 10.00 10.00 1000.000  0.00
1:SER_32:HA        1:SER_32:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_32:HBS       1:SER_32:HN         2.500  4.200  5.756 10.00 10.00 1000.000  0.00
1:GLU-_33:HN       1:LEU_34:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HA       1:LEU_34:HN         1.800  3.010  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HBS      1:LEU_34:HN         2.500  4.170  4.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HBR      1:LEU_34:HN         2.500  4.190  4.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HG*      1:LEU_34:HN         2.500  5.350  4.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HN       1:SER_35:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HA       1:GLU-_33:HN        1.800  3.070  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HG*      1:GLU-_33:HN        1.800  4.330  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HBS      1:GLU-_33:HN        1.800  3.400  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HBR      1:GLU-_33:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HA       1:GLU-_33:HG*       1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HA       1:GLU-_33:HBS       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_33:HA       1:GLU-_33:HBR       1.800  3.020  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HN        1:SER_35:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HB*       1:SER_35:HN         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HB*       1:SER_35:HA         3.500  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HG        1:SER_35:HA         3.480  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HG        1:SER_35:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDR*      1:SER_35:HA         3.500  6.600  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDS*      1:SER_35:HA         2.500  5.940  4.000 10.00 10.00 1000.000  0.00
1:LEU_34:HN        1:ALA_36:HN         3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HA        1:ALA_36:HN         2.500  4.160  4.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDR*      1:ALA_36:HA         3.500  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDS*      1:ALA_36:HA         3.500  6.800  5.000 10.00 10.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HN         1.800  3.060  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HB*       1:LEU_34:HN         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HG        1:LEU_34:HN         1.800  3.080  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDR*      1:LEU_34:HN         1.800  4.750  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDS*      1:LEU_34:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HG         2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HDS*       1.800  4.650  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDR*      1:LEU_34:HG         2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDS*      1:LEU_34:HG         2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDR*      1:LEU_34:HB*        1.800  5.500  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HDS*      1:LEU_34:HB*        1.800  5.500  3.000 10.00 10.00 1000.000  0.00
1:LEU_34:HB*       1:LEU_34:HG         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:SER_35:HN        1:ALA_36:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:SER_35:HB*       1:ALA_36:HN         2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_35:HA        1:ALA_36:HN         1.800  3.080  3.000 10.00 10.00 1000.000  0.00
1:SER_35:HN        1:LYS+_37:HN        3.500  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_35:HA        1:METC_38:HN        3.500  5.040  4.000 10.00 10.00 1000.000  0.00
1:SER_35:HN        1:METC_38:HN        3.500  5.130  5.000 10.00 10.00 1000.000  0.00
1:SER_35:HA        1:SER_35:HB*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:SER_35:HB*       1:SER_35:HN         1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_36:HN        1:LYS+_37:HN        1.800  3.010  3.000 10.00 10.00 1000.000  0.00
1:ALA_36:HB*       1:LYS+_37:HN        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_36:HN        1:METC_38:HN        2.500  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_36:HB*       1:METC_38:HN        2.500  5.500  4.000 10.00 10.00 1000.000  0.00
1:ALA_36:HA        1:ALA_36:HN         1.800  3.050  3.000 10.00 10.00 1000.000  0.00
1:ALA_36:HB*       1:ALA_36:HN         1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_36:HA        1:ALA_36:HB*        1.800  4.500  3.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HN       1:METC_38:HN        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HBR      1:METC_38:HN        3.500  5.000  5.758 10.00 10.00 1000.000  0.00
1:LYS+_37:HBR      1:LYS+_37:HN        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HBS      1:LYS+_37:HN        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HG*      1:LYS+_37:HN        2.500  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HA       1:LYS+_37:HBR       1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HA       1:LYS+_37:HBS       1.800  3.030  3.000 10.00 10.00 1000.000  0.00
1:LYS+_37:HBR      1:LYS+_37:HBS       1.800  3.000  4.758 10.00 10.00 1000.000  0.00
1:LYS+_37:HBR      1:LYS+_37:HG*       1.800  4.000  4.758 10.00 10.00 1000.000  0.00
1:METC_38:HBS      1:METC_38:HN        1.800  3.220  3.000 10.00 10.00 1000.000  0.00
1:METC_38:HBR      1:METC_38:HN        1.800  3.200  3.000 10.00 10.00 1000.000  0.00
1:METC_38:HGS      1:METC_38:HN        2.500  4.280  4.000 10.00 10.00 1000.000  0.00
1:METC_38:HGR      1:METC_38:HN        2.500  4.320  4.000 10.00 10.00 1000.000  0.00
1:METC_38:HBS      1:METC_38:HBR       1.800  3.000  4.756 10.00 10.00 1000.000  0.00
!
#mixing_times
1.50000E-01 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    THR   1          1H        THR   1 -20.413 -10.727 -10.727
    2   2H    THR   1          2H        THR   1 -21.820  -9.930  -9.930
    3   3H    THR   1          3H        THR   1 -20.452  -9.860  -9.860
    4    HA   THR   1           HA       THR   1 -19.264  -8.566  -8.566
    5    HB   THR   1           HB       THR   1 -21.090  -7.470  -7.470
    6    HG1  THR   1           HG1      THR   1 -20.915  -5.511  -5.511
    7   1HG2  THR   1          3HG2      THR   1 -22.627  -7.189  -7.189
    8   2HG2  THR   1          1HG2      THR   1 -23.018  -6.331  -6.331
    9   3HG2  THR   1          2HG2      THR   1 -23.211  -8.081  -8.081
   10    HA   PRO   2           HA       PRO   2 -19.606  -9.066  -9.066
   11   1HB   PRO   2          1HB       PRO   2 -19.154  -6.070  -6.070
   12   2HB   PRO   2          2HB       PRO   2 -18.285  -7.429  -7.429
   13   1HG   PRO   2          1HG       PRO   2 -17.162  -6.298  -6.298
   14   2HG   PRO   2          2HG       PRO   2 -17.104  -8.125  -8.125
   15   1HD   PRO   2          1HD       PRO   2 -18.903  -6.360  -6.360
   16   2HD   PRO   2          2HD       PRO   2 -18.004  -7.907  -7.907
   17    H    ASP   3           H        ASP   3 -20.217  -7.330  -7.330
   18    HA   ASP   3           HA       ASP   3 -23.153  -7.261  -7.261
   19   1HB   ASP   3          1HB       ASP   3 -21.535  -7.266  -7.266
   20   2HB   ASP   3          2HB       ASP   3 -21.417  -5.538  -5.538
   21    H    VAL   4           H        VAL   4 -23.908  -6.287  -6.287
   22    HA   VAL   4           HA       VAL   4 -22.951  -3.515  -3.515
   23    HB   VAL   4           HB       VAL   4 -23.526  -4.988  -4.988
   24   1HG1  VAL   4          1HG2      VAL   4 -26.385  -5.407  -5.407
   25   2HG1  VAL   4          2HG2      VAL   4 -25.802  -5.957  -5.957
   26   3HG1  VAL   4          3HG2      VAL   4 -25.116  -6.648  -6.648
   27   1HG2  VAL   4          2HG1      VAL   4 -24.266  -2.592  -2.592
   28   2HG2  VAL   4          3HG1      VAL   4 -25.252  -3.744  -3.744
   29   3HG2  VAL   4          1HG1      VAL   4 -25.898  -3.003  -3.003
   30    H    SER   5           H        SER   5 -23.335  -2.333  -2.333
   31    HA   SER   5           HA       SER   5 -25.746  -0.913  -0.913
   32   1HB   SER   5          1HB       SER   5 -27.141  -2.798  -2.798
   33   2HB   SER   5          2HB       SER   5 -25.939  -3.613  -3.613
   34    HG   SER   5           HG       SER   5 -27.308  -2.755  -2.755
   35    H    SER   6           H        SER   6 -23.198  -2.636  -2.636
   36    HA   SER   6           HA       SER   6 -22.319   0.047   0.047
   37   1HB   SER   6          1HB       SER   6 -22.349  -2.274  -2.274
   38   2HB   SER   6          2HB       SER   6 -22.192  -0.559  -0.559
   39    HG   SER   6           HG       SER   6 -24.543  -1.795  -1.795
   40    H    ALA   7           H        ALA   7 -21.322  -1.215  -1.215
   41    HA   ALA   7           HA       ALA   7 -18.922  -2.790  -2.790
   42   1HB   ALA   7          2HB       ALA   7 -20.304  -3.854  -3.854
   43   2HB   ALA   7          3HB       ALA   7 -20.041  -2.438  -2.438
   44   3HB   ALA   7          1HB       ALA   7 -18.676  -3.491  -3.491
   45    H    LEU   8           H        LEU   8 -19.879   0.124   0.124
   46    HA   LEU   8           HA       LEU   8 -17.123   1.074   1.074
   47   1HB   LEU   8          1HB       LEU   8 -19.535   2.030   2.030
   48   2HB   LEU   8          2HB       LEU   8 -19.440   2.952   2.952
   49    HG   LEU   8           HG       LEU   8 -18.669   4.005   4.005
   50   1HD1  LEU   8          2HD1      LEU   8 -18.548   5.147   5.147
   51   2HD1  LEU   8          3HD1      LEU   8 -16.987   4.361   4.361
   52   3HD1  LEU   8          1HD1      LEU   8 -17.128   5.536   5.536
   53   1HD2  LEU   8          2HD2      LEU   8 -16.068   2.533   2.533
   54   2HD2  LEU   8          3HD2      LEU   8 -16.980   2.318   2.318
   55   3HD2  LEU   8          1HD2      LEU   8 -16.159   3.851   3.851
   56    H    ASP   9           H        ASP   9 -19.149   0.953   0.953
   57    HA   ASP   9           HA       ASP   9 -17.858   2.875   2.875
   58   1HB   ASP   9          1HB       ASP   9 -19.800   1.647   1.647
   59   2HB   ASP   9          2HB       ASP   9 -19.029   0.098   0.098
   60    H    LYS  10           H        LYS  10 -16.768  -0.384  -0.384
   61    HA   LYS  10           HA       LYS  10 -14.638  -0.402  -0.402
   62   1HB   LYS  10          1HB       LYS  10 -15.693  -2.304  -2.304
   63   2HB   LYS  10          2HB       LYS  10 -14.284  -1.898  -1.898
   64   1HG   LYS  10          1HG       LYS  10 -12.991  -2.221  -2.221
   65   2HG   LYS  10          2HG       LYS  10 -14.418  -3.186  -3.186
   66   1HD   LYS  10          1HD       LYS  10 -12.994  -3.712  -3.712
   67   2HD   LYS  10          2HD       LYS  10 -12.122  -4.141  -4.141
   68   1HE   LYS  10          1HE       LYS  10 -14.626  -5.155  -5.155
   69   2HE   LYS  10          2HE       LYS  10 -14.702  -5.346  -5.346
   70   1HZ   LYS  10          1HZ       LYS  10 -12.289  -6.266  -6.266
   71   2HZ   LYS  10          2HZ       LYS  10 -12.826  -6.561  -6.561
   72   3HZ   LYS  10          3HZ       LYS  10 -13.633  -7.243  -7.243
   73    H    LEU  11           H        LEU  11 -14.801   0.787   0.787
   74    HA   LEU  11           HA       LEU  11 -11.863   1.067   1.067
   75   1HB   LEU  11          1HB       LEU  11 -14.156   2.450   2.450
   76   2HB   LEU  11          2HB       LEU  11 -12.470   2.500   2.500
   77    HG   LEU  11           HG       LEU  11 -14.021   0.880   0.880
   78   1HD1  LEU  11          2HD1      LEU  11 -11.515   0.813   0.813
   79   2HD1  LEU  11          3HD1      LEU  11 -11.427  -0.268  -0.268
   80   3HD1  LEU  11          1HD1      LEU  11 -12.200  -0.820  -0.820
   81   1HD2  LEU  11          2HD2      LEU  11 -13.699  -0.811  -0.811
   82   2HD2  LEU  11          3HD2      LEU  11 -15.222  -0.204  -0.204
   83   3HD2  LEU  11          1HD2      LEU  11 -14.296  -1.434  -1.434
   84    H    LYS  12           H        LYS  12 -14.285   2.997   2.997
   85    HA   LYS  12           HA       LYS  12 -12.409   5.347   5.347
   86   1HB   LYS  12          1HB       LYS  12 -15.259   4.748   4.748
   87   2HB   LYS  12          2HB       LYS  12 -14.514   5.546   5.546
   88   1HG   LYS  12          1HG       LYS  12 -15.249   7.417   7.417
   89   2HG   LYS  12          2HG       LYS  12 -13.574   7.289   7.289
   90   1HD   LYS  12          1HD       LYS  12 -15.169   5.608   5.608
   91   2HD   LYS  12          2HD       LYS  12 -16.088   7.106   7.106
   92   1HE   LYS  12          1HE       LYS  12 -13.414   8.054   8.054
   93   2HE   LYS  12          2HE       LYS  12 -13.481   6.724   6.724
   94   1HZ   LYS  12          2HZ       LYS  12 -15.672   7.707   7.707
   95   2HZ   LYS  12          3HZ       LYS  12 -15.284   9.072   9.072
   96   3HZ   LYS  12          1HZ       LYS  12 -14.291   8.594   8.594
   97    H    GLU  13           H        GLU  13 -10.762   3.693   3.693
   98    HA   GLU  13           HA       GLU  13 -10.108   3.901   3.901
   99   1HB   GLU  13          1HB       GLU  13 -12.268   2.912   2.912
  100   2HB   GLU  13          2HB       GLU  13 -12.088   1.596   1.596
  101   1HG   GLU  13          1HG       GLU  13 -11.742   0.983   0.983
  102   2HG   GLU  13          2HG       GLU  13 -10.488   0.418   0.418
  103    H    PHE  14           H        PHE  14 -10.538   0.633   0.633
  104    HA   PHE  14           HA       PHE  14  -7.888  -0.164  -0.164
  105   1HB   PHE  14          1HB       PHE  14  -9.518  -1.763  -1.763
  106   2HB   PHE  14          2HB       PHE  14 -10.362  -0.667  -0.667
  107    HD1  PHE  14           HD1      PHE  14  -8.822   0.139   0.139
  108    HD2  PHE  14           HD2      PHE  14  -8.422  -3.552  -3.552
  109    HE1  PHE  14           HE1      PHE  14  -7.903  -0.941  -0.941
  110    HE2  PHE  14           HE2      PHE  14  -7.507  -4.630  -4.630
  111    HZ   PHE  14           HZ       PHE  14  -7.266  -3.332  -3.332
  112    H    GLY  15           H        GLY  15  -9.184   2.457   2.457
  113   1HA   GLY  15          1HA       GLY  15  -6.874   2.300   2.300
  114   2HA   GLY  15          2HA       GLY  15  -8.098   3.585   3.585
  115    H    ASN  16           H        ASN  16  -7.936   4.406   4.406
  116    HA   ASN  16           HA       ASN  16  -5.657   6.133   6.133
  117   1HB   ASN  16          1HB       ASN  16  -7.324   6.627   6.627
  118   2HB   ASN  16          2HB       ASN  16  -7.613   4.953   4.953
  119   1HD2  ASN  16          1HD2      ASN  16  -5.721   5.375   5.375
  120   2HD2  ASN  16          2HD2      ASN  16  -7.021   4.445   4.445
  121    H    THR  17           H        THR  17  -5.958   2.795   2.795
  122    HA   THR  17           HA       THR  17  -3.466   2.803   2.803
  123    HB   THR  17           HB       THR  17  -5.134   0.479   0.479
  124    HG1  THR  17           HG1      THR  17  -5.829   0.301   0.301
  125   1HG2  THR  17          3HG2      THR  17  -2.952   0.274   0.274
  126   2HG2  THR  17          1HG2      THR  17  -4.057  -1.034  -1.034
  127   3HG2  THR  17          2HG2      THR  17  -2.844  -0.446  -0.446
  128    H    LEU  18           H        LEU  18  -4.199   2.299   2.299
  129    HA   LEU  18           HA       LEU  18  -1.520   1.048   1.048
  130   1HB   LEU  18          1HB       LEU  18  -3.546   0.508   0.508
  131   2HB   LEU  18          2HB       LEU  18  -3.644   2.178   2.178
  132    HG   LEU  18           HG       LEU  18  -1.258   1.842   1.842
  133   1HD1  LEU  18          3HD2      LEU  18  -0.821  -0.401  -0.401
  134   2HD1  LEU  18          1HD2      LEU  18  -2.054  -1.146  -1.146
  135   3HD1  LEU  18          2HD2      LEU  18  -0.579  -0.465  -0.465
  136   1HD2  LEU  18          2HD1      LEU  18  -3.439   2.035   2.035
  137   2HD2  LEU  18          3HD1      LEU  18  -2.271   0.959   0.959
  138   3HD2  LEU  18          1HD1      LEU  18  -3.641   0.276   0.276
  139    H    GLU  19           H        GLU  19  -2.901   4.248   4.248
  140    HA   GLU  19           HA       GLU  19  -0.499   5.408   5.408
  141   1HB   GLU  19          1HB       GLU  19  -2.876   6.417   6.417
  142   2HB   GLU  19          2HB       GLU  19  -2.635   6.749   6.749
  143   1HG   GLU  19          1HG       GLU  19  -2.273   8.684   8.684
  144   2HG   GLU  19          2HG       GLU  19  -1.244   8.629   8.629
  145    H    ASP  20           H        ASP  20  -1.021   4.174   4.174
  146    HA   ASP  20           HA       ASP  20   1.503   5.645   5.645
  147   1HB   ASP  20          1HB       ASP  20  -0.996   5.044   5.044
  148   2HB   ASP  20          2HB       ASP  20   0.265   4.071   4.071
  149    H    LYS  21           H        LYS  21   0.124   2.659   2.659
  150    HA   LYS  21           HA       LYS  21   2.586   1.143   1.143
  151   1HB   LYS  21          1HB       LYS  21  -0.176   0.473   0.473
  152   2HB   LYS  21          2HB       LYS  21   1.053  -0.532  -0.532
  153   1HG   LYS  21          1HG       LYS  21   0.101  -1.539  -1.539
  154   2HG   LYS  21          2HG       LYS  21   1.853  -1.353  -1.353
  155   1HD   LYS  21          1HD       LYS  21   1.444   0.837   0.837
  156   2HD   LYS  21          2HD       LYS  21  -0.283   0.431   0.431
  157   1HE   LYS  21          1HE       LYS  21   0.874  -2.025  -2.025
  158   2HE   LYS  21          2HE       LYS  21   1.965  -0.860  -0.860
  159   1HZ   LYS  21          1HZ       LYS  21  -0.976  -0.539  -0.539
  160   2HZ   LYS  21          2HZ       LYS  21  -0.119  -1.501  -1.501
  161   3HZ   LYS  21          3HZ       LYS  21   0.216   0.144   0.144
  162    H    ALA  22           H        ALA  22   1.871   3.206   3.206
  163    HA   ALA  22           HA       ALA  22   4.340   2.105   2.105
  164   1HB   ALA  22          2HB       ALA  22   2.331   1.379   1.379
  165   2HB   ALA  22          3HB       ALA  22   1.746   3.058   3.058
  166   3HB   ALA  22          1HB       ALA  22   3.256   2.598   2.598
  167    H    ARG  23           H        ARG  23   3.877   4.092   4.092
  168    HA   ARG  23           HA       ARG  23   5.209   6.372   6.372
  169   1HB   ARG  23          1HB       ARG  23   2.842   7.087   7.087
  170   2HB   ARG  23          2HB       ARG  23   2.673   6.656   6.656
  171   1HG   ARG  23          1HG       ARG  23   4.709   8.818   8.818
  172   2HG   ARG  23          2HG       ARG  23   3.006   9.211   9.211
  173   1HD   ARG  23          1HD       ARG  23   3.229   8.051   8.051
  174   2HD   ARG  23          2HD       ARG  23   4.987   8.126   8.126
  175    HE   ARG  23           HE       ARG  23   4.477  10.708  10.708
  176   1HH1  ARG  23          2HH2      ARG  23   2.960   8.836   8.836
  177   2HH1  ARG  23          1HH2      ARG  23   2.667  10.327  10.327
  178   1HH2  ARG  23          1HH1      ARG  23   4.126  12.272  12.272
  179   2HH2  ARG  23          2HH1      ARG  23   3.302  12.198  12.198
  180    H    GLU  24           H        GLU  24   4.138   5.040   5.040
  181    HA   GLU  24           HA       GLU  24   6.741   5.998   5.998
  182   1HB   GLU  24          1HB       GLU  24   4.598   4.151   4.151
  183   2HB   GLU  24          2HB       GLU  24   5.881   4.964   4.964
  184   1HG   GLU  24          1HG       GLU  24   4.828   7.183   7.183
  185   2HG   GLU  24          2HG       GLU  24   3.730   6.579   6.579
  186    H    LEU  25           H        LEU  25   5.176   3.144   3.144
  187    HA   LEU  25           HA       LEU  25   7.299   1.259   1.259
  188   1HB   LEU  25          1HB       LEU  25   5.112   0.365   0.365
  189   2HB   LEU  25          2HB       LEU  25   5.118   1.211   1.211
  190    HG   LEU  25           HG       LEU  25   7.389  -0.634  -0.634
  191   1HD1  LEU  25          2HD1      LEU  25   6.092  -1.868  -1.868
  192   2HD1  LEU  25          3HD1      LEU  25   4.666  -1.933  -1.933
  193   3HD1  LEU  25          1HD1      LEU  25   6.157  -2.797  -2.797
  194   1HD2  LEU  25          2HD2      LEU  25   4.760  -0.614  -0.614
  195   2HD2  LEU  25          3HD2      LEU  25   6.315   0.121   0.121
  196   3HD2  LEU  25          1HD2      LEU  25   6.181  -1.637  -1.637
  197    H    ILE  26           H        ILE  26   6.986   3.504   3.504
  198    HA   ILE  26           HA       ILE  26   9.032   2.234   2.234
  199    HB   ILE  26           HB       ILE  26   7.524   4.818   4.818
  200   1HG1  ILE  26          1HG1      ILE  26   8.567   3.507   3.507
  201   2HG1  ILE  26          2HG1      ILE  26   7.328   2.689   2.689
  202   1HG2  ILE  26          2HG2      ILE  26   9.841   5.860   5.860
  203   2HG2  ILE  26          3HG2      ILE  26  10.310   4.842   4.842
  204   3HG2  ILE  26          1HG2      ILE  26   9.067   6.103   6.103
  205   1HD1  ILE  26          2HD1      ILE  26   5.786   4.681   4.681
  206   2HD1  ILE  26          3HD1      ILE  26   6.975   5.509   5.509
  207   3HD1  ILE  26          1HD1      ILE  26   6.220   4.002   4.002
  208    H    SER  27           H        SER  27   9.184   4.383   4.383
  209    HA   SER  27           HA       SER  27  12.125   4.777   4.777
  210   1HB   SER  27          1HB       SER  27  11.314   6.454   6.454
  211   2HB   SER  27          2HB       SER  27  10.038   5.467   5.467
  212    HG   SER  27           HG       SER  27  12.769   5.653   5.653
  213    H    ARG  28           H        ARG  28  10.038   2.429   2.429
  214    HA   ARG  28           HA       ARG  28  12.297   0.930   0.930
  215   1HB   ARG  28          1HB       ARG  28  10.016   0.566   0.566
  216   2HB   ARG  28          2HB       ARG  28   9.382   0.224   0.224
  217   1HG   ARG  28          1HG       ARG  28  11.042  -1.905  -1.905
  218   2HG   ARG  28          2HG       ARG  28  11.161  -1.571  -1.571
  219   1HD   ARG  28          1HD       ARG  28   8.393  -1.785  -1.785
  220   2HD   ARG  28          2HD       ARG  28   9.313  -3.259  -3.259
  221    HE   ARG  28           HE       ARG  28   8.125  -1.303  -1.303
  222   1HH1  ARG  28          2HH2      ARG  28  10.402  -3.901  -3.901
  223   2HH1  ARG  28          1HH2      ARG  28  10.366  -4.274  -4.274
  224   1HH2  ARG  28          1HH1      ARG  28   8.136  -1.765  -1.765
  225   2HH2  ARG  28          2HH1      ARG  28   9.135  -3.116  -3.116
  226    H    ILE  29           H        ILE  29  11.135   1.310   1.310
  227    HA   ILE  29           HA       ILE  29  12.253  -1.361  -1.361
  228    HB   ILE  29           HB       ILE  29  10.607   0.830   0.830
  229   1HG1  ILE  29          1HG1      ILE  29   8.980  -0.717  -0.717
  230   2HG1  ILE  29          2HG1      ILE  29   9.622  -1.569  -1.569
  231   1HG2  ILE  29          2HG2      ILE  29  12.439   0.481   0.481
  232   2HG2  ILE  29          3HG2      ILE  29  12.154  -1.276  -1.276
  233   3HG2  ILE  29          1HG2      ILE  29  10.925  -0.156  -0.156
  234   1HD1  ILE  29          2HD1      ILE  29  11.079  -3.020  -3.020
  235   2HD1  ILE  29          3HD1      ILE  29  10.374  -2.257  -2.257
  236   3HD1  ILE  29          1HD1      ILE  29   9.343  -3.188  -3.188
  237    H    LYS  30           H        LYS  30  13.002   2.026   2.026
  238    HA   LYS  30           HA       LYS  30  15.262   1.801   1.801
  239   1HB   LYS  30          1HB       LYS  30  15.923   4.079   4.079
  240   2HB   LYS  30          2HB       LYS  30  14.309   4.013   4.013
  241   1HG   LYS  30          1HG       LYS  30  13.656   4.952   4.952
  242   2HG   LYS  30          2HG       LYS  30  13.708   3.293   3.293
  243   1HD   LYS  30          1HD       LYS  30  14.889   4.704   4.704
  244   2HD   LYS  30          2HD       LYS  30  16.138   3.762   3.762
  245   1HE   LYS  30          1HE       LYS  30  17.072   5.638   5.638
  246   2HE   LYS  30          2HE       LYS  30  15.499   6.267   6.267
  247   1HZ   LYS  30          1HZ       LYS  30  16.193   6.352   6.352
  248   2HZ   LYS  30          2HZ       LYS  30  16.848   7.491   7.491
  249   3HZ   LYS  30          3HZ       LYS  30  15.179   7.357   7.357
  250    H    GLN  31           H        GLN  31  14.839   1.337   1.337
  251    HA   GLN  31           HA       GLN  31  17.836   1.251   1.251
  252   1HB   GLN  31          1HB       GLN  31  15.670   2.120   2.120
  253   2HB   GLN  31          2HB       GLN  31  15.948   0.522   0.522
  254   1HG   GLN  31          1HG       GLN  31  18.535   1.389   1.389
  255   2HG   GLN  31          2HG       GLN  31  17.813   2.974   2.974
  256   1HE2  GLN  31          2HE2      GLN  31  16.226   2.179   2.179
  257   2HE2  GLN  31          1HE2      GLN  31  15.543   2.512   2.512
  258    H    SER  32           H        SER  32  16.867  -0.715  -0.715
  259    HA   SER  32           HA       SER  32  17.802  -3.162  -3.162
  260   1HB   SER  32          1HB       SER  32  15.719  -4.464  -4.464
  261   2HB   SER  32          2HB       SER  32  15.594  -3.034  -3.034
  262    HG   SER  32           HG       SER  32  13.764  -3.651  -3.651
  263    H    GLU  33           H        GLU  33  18.383  -1.807  -1.807
  264    HA   GLU  33           HA       GLU  33  17.474  -3.889  -3.889
  265   1HB   GLU  33          1HB       GLU  33  17.258  -0.936  -0.936
  266   2HB   GLU  33          2HB       GLU  33  18.265  -1.423  -1.423
  267   1HG   GLU  33          1HG       GLU  33  15.878  -3.143  -3.143
  268   2HG   GLU  33          2HG       GLU  33  15.328  -1.506  -1.506
  269    H    LEU  34           H        LEU  34  19.788  -3.786  -3.786
  270    HA   LEU  34           HA       LEU  34  21.963  -3.630  -3.630
  271   1HB   LEU  34          1HB       LEU  34  23.593  -3.632  -3.632
  272   2HB   LEU  34          2HB       LEU  34  22.513  -2.252  -2.252
  273    HG   LEU  34           HG       LEU  34  21.578  -4.585  -4.585
  274   1HD1  LEU  34          2HD1      LEU  34  24.062  -4.720  -4.720
  275   2HD1  LEU  34          3HD1      LEU  34  24.108  -2.996  -2.996
  276   3HD1  LEU  34          1HD1      LEU  34  23.227  -4.163  -4.163
  277   1HD2  LEU  34          2HD2      LEU  34  21.860  -1.549  -1.549
  278   2HD2  LEU  34          3HD2      LEU  34  20.369  -2.423  -2.423
  279   3HD2  LEU  34          1HD2      LEU  34  21.145  -2.739  -2.739
  280    H    SER  35           H        SER  35  20.357  -5.701  -5.701
  281    HA   SER  35           HA       SER  35  20.715  -7.986  -7.986
  282   1HB   SER  35          1HB       SER  35  20.386  -7.933  -7.933
  283   2HB   SER  35          2HB       SER  35  22.037  -8.532  -8.532
  284    HG   SER  35           HG       SER  35  21.370 -10.295 -10.295
  285    H    ALA  36           H        ALA  36  22.763  -5.997  -5.997
  286    HA   ALA  36           HA       ALA  36  25.206  -7.832  -7.832
  287   1HB   ALA  36          2HB       ALA  36  25.511  -5.554  -5.554
  288   2HB   ALA  36          3HB       ALA  36  24.964  -4.769  -4.769
  289   3HB   ALA  36          1HB       ALA  36  26.493  -5.680  -5.680
  290    H    LYS  37           H        LYS  37  22.976  -6.050  -6.050
  291    HA   LYS  37           HA       LYS  37  23.789  -7.717  -7.717
  292   1HB   LYS  37          1HB       LYS  37  25.293  -5.370  -5.370
  293   2HB   LYS  37          2HB       LYS  37  23.983  -4.762  -4.762
  294   1HG   LYS  37          1HG       LYS  37  24.554  -6.214  -6.214
  295   2HG   LYS  37          2HG       LYS  37  25.404  -7.363  -7.363
  296   1HD   LYS  37          1HD       LYS  37  27.389  -6.126  -6.126
  297   2HD   LYS  37          2HD       LYS  37  26.552  -4.561  -4.561
  298   1HE   LYS  37          1HE       LYS  37  26.198  -6.433  -6.433
  299   2HE   LYS  37          2HE       LYS  37  27.674  -5.463  -5.463
  300   1HZ   LYS  37          3HZ       LYS  37  25.838  -3.625  -3.625
  301   2HZ   LYS  37          1HZ       LYS  37  24.938  -4.594  -4.594
  302   3HZ   LYS  37          2HZ       LYS  37  26.387  -3.920  -3.920
  303    H    MET  38           H        MET  38  21.500  -7.450  -7.450
  304    HA   MET  38           HA       MET  38  19.412  -5.883  -5.883
  305   1HB   MET  38          1HB       MET  38  19.535  -8.095  -8.095
  306   2HB   MET  38          2HB       MET  38  18.719  -8.793  -8.793
  307   1HG   MET  38          1HG       MET  38  17.563  -6.140  -6.140
  308   2HG   MET  38          2HG       MET  38  17.423  -7.473  -7.473
  309   1HE   MET  38          1HE       MET  38  16.772  -5.856  -5.856
  310   2HE   MET  38          3HE       MET  38  15.049  -5.936  -5.936
  311   3HE   MET  38          2HE       MET  38  15.618  -6.844  -6.844

  Start of MODEL    2
    1   1H    THR   1          1H        THR   1 -17.893 -10.747 -10.747
    2   2H    THR   1          2H        THR   1 -17.022 -12.116 -12.116
    3   3H    THR   1          3H        THR   1 -18.699 -12.183 -12.183
    4    HA   THR   1           HA       THR   1 -18.213 -12.105 -12.105
    5    HB   THR   1           HB       THR   1 -15.864 -10.794 -10.794
    6    HG1  THR   1           HG1      THR   1 -15.392 -10.804 -10.804
    7   1HG2  THR   1          3HG2      THR   1 -17.410  -8.792  -8.792
    8   2HG2  THR   1          1HG2      THR   1 -15.674  -8.707  -8.707
    9   3HG2  THR   1          2HG2      THR   1 -16.867  -8.467  -8.467
   10    HA   PRO   2           HA       PRO   2 -21.574  -9.507  -9.507
   11   1HB   PRO   2          1HB       PRO   2 -19.764  -8.338  -8.338
   12   2HB   PRO   2          2HB       PRO   2 -21.527  -9.009  -9.009
   13   1HG   PRO   2          1HG       PRO   2 -19.289 -10.526 -10.526
   14   2HG   PRO   2          2HG       PRO   2 -20.799 -11.182 -11.182
   15   1HD   PRO   2          1HD       PRO   2 -17.972 -10.190 -10.190
   16   2HD   PRO   2          2HD       PRO   2 -18.803 -11.770 -11.770
   17    H    ASP   3           H        ASP   3 -22.125  -7.256  -7.256
   18    HA   ASP   3           HA       ASP   3 -21.505  -5.311  -5.311
   19   1HB   ASP   3          1HB       ASP   3 -23.405  -5.205  -5.205
   20   2HB   ASP   3          2HB       ASP   3 -22.185  -4.631  -4.631
   21    H    VAL   4           H        VAL   4 -19.584  -4.978  -4.978
   22    HA   VAL   4           HA       VAL   4 -17.461  -4.419  -4.419
   23    HB   VAL   4           HB       VAL   4 -17.539  -5.658  -5.658
   24   1HG1  VAL   4          1HG2      VAL   4 -15.129  -3.761  -3.761
   25   2HG1  VAL   4          2HG2      VAL   4 -15.245  -5.012  -5.012
   26   3HG1  VAL   4          3HG2      VAL   4 -16.332  -3.636  -3.636
   27   1HG2  VAL   4          2HG1      VAL   4 -16.675  -6.881  -6.881
   28   2HG2  VAL   4          3HG1      VAL   4 -15.494  -6.864  -6.864
   29   3HG2  VAL   4          1HG1      VAL   4 -15.285  -5.773  -5.773
   30    H    SER   5           H        SER   5 -19.430  -2.789  -2.789
   31    HA   SER   5           HA       SER   5 -17.565  -0.644  -0.644
   32   1HB   SER   5          1HB       SER   5 -19.405  -0.575  -0.575
   33   2HB   SER   5          2HB       SER   5 -20.565  -1.050  -1.050
   34    HG   SER   5           HG       SER   5 -20.740   1.153   1.153
   35    H    SER   6           H        SER   6 -19.719  -1.137  -1.137
   36    HA   SER   6           HA       SER   6 -18.392   1.322   1.322
   37   1HB   SER   6          1HB       SER   6 -20.397   2.031   2.031
   38   2HB   SER   6          2HB       SER   6 -20.983   1.521   1.521
   39    HG   SER   6           HG       SER   6 -22.247   0.250   0.250
   40    H    ALA   7           H        ALA   7 -17.491  -1.369  -1.369
   41    HA   ALA   7           HA       ALA   7 -17.878  -2.291  -2.291
   42   1HB   ALA   7          2HB       ALA   7 -17.419  -3.918  -3.918
   43   2HB   ALA   7          3HB       ALA   7 -15.847  -3.146  -3.146
   44   3HB   ALA   7          1HB       ALA   7 -16.123  -4.022  -4.022
   45    H    LEU   8           H        LEU   8 -15.827  -0.091  -0.091
   46    HA   LEU   8           HA       LEU   8 -13.807   0.002   0.002
   47   1HB   LEU   8          1HB       LEU   8 -13.641   0.866   0.866
   48   2HB   LEU   8          2HB       LEU   8 -14.397   2.319   2.319
   49    HG   LEU   8           HG       LEU   8 -12.502   2.802   2.802
   50   1HD1  LEU   8          2HD1      LEU   8 -11.967   0.450   0.450
   51   2HD1  LEU   8          3HD1      LEU   8 -11.296   0.097   0.097
   52   3HD1  LEU   8          1HD1      LEU   8 -10.508   1.293   1.293
   53   1HD2  LEU   8          2HD2      LEU   8 -11.517   1.975   1.975
   54   2HD2  LEU   8          3HD2      LEU   8 -12.170   3.560   3.560
   55   3HD2  LEU   8          1HD2      LEU   8 -10.617   3.024   3.024
   56    H    ASP   9           H        ASP   9 -16.831   1.528   1.528
   57    HA   ASP   9           HA       ASP   9 -16.788   3.661   3.661
   58   1HB   ASP   9          1HB       ASP   9 -18.762   3.324   3.324
   59   2HB   ASP   9          2HB       ASP   9 -19.087   1.753   1.753
   60    H    LYS  10           H        LYS  10 -17.266   0.254   0.254
   61    HA   LYS  10           HA       LYS  10 -18.335   0.460   0.460
   62   1HB   LYS  10          1HB       LYS  10 -16.863  -1.648  -1.648
   63   2HB   LYS  10          2HB       LYS  10 -16.756  -1.865  -1.865
   64   1HG   LYS  10          1HG       LYS  10 -19.402  -1.576  -1.576
   65   2HG   LYS  10          2HG       LYS  10 -18.721  -3.097  -3.097
   66   1HD   LYS  10          1HD       LYS  10 -18.906  -1.889  -1.889
   67   2HD   LYS  10          2HD       LYS  10 -20.016  -0.796  -0.796
   68   1HE   LYS  10          1HE       LYS  10 -21.076  -3.109  -3.109
   69   2HE   LYS  10          2HE       LYS  10 -20.330  -3.822  -3.822
   70   1HZ   LYS  10          1HZ       LYS  10 -21.409  -1.857  -1.857
   71   2HZ   LYS  10          2HZ       LYS  10 -22.381  -1.704  -1.704
   72   3HZ   LYS  10          3HZ       LYS  10 -22.381  -3.140  -3.140
   73    H    LEU  11           H        LEU  11 -15.014   0.537   0.537
   74    HA   LEU  11           HA       LEU  11 -14.027   0.754   0.754
   75   1HB   LEU  11          1HB       LEU  11 -12.362   1.179   1.179
   76   2HB   LEU  11          2HB       LEU  11 -11.770   0.779   0.779
   77    HG   LEU  11           HG       LEU  11 -13.450  -1.123  -1.123
   78   1HD1  LEU  11          2HD1      LEU  11 -11.237  -0.599  -0.599
   79   2HD1  LEU  11          3HD1      LEU  11 -10.384  -1.050  -1.050
   80   3HD1  LEU  11          1HD1      LEU  11 -11.283  -2.277  -2.277
   81   1HD2  LEU  11          2HD2      LEU  11 -11.850  -1.651  -1.651
   82   2HD2  LEU  11          3HD2      LEU  11 -13.617  -1.743  -1.743
   83   3HD2  LEU  11          1HD2      LEU  11 -12.582  -2.917  -2.917
   84    H    LYS  12           H        LYS  12 -13.406   2.736   2.736
   85    HA   LYS  12           HA       LYS  12 -12.243   4.882   4.882
   86   1HB   LYS  12          1HB       LYS  12 -15.015   4.780   4.780
   87   2HB   LYS  12          2HB       LYS  12 -14.958   5.928   5.928
   88   1HG   LYS  12          1HG       LYS  12 -14.750   7.371   7.371
   89   2HG   LYS  12          2HG       LYS  12 -13.063   7.162   7.162
   90   1HD   LYS  12          1HD       LYS  12 -12.582   6.029   6.029
   91   2HD   LYS  12          2HD       LYS  12 -14.111   5.128   5.128
   92   1HE   LYS  12          1HE       LYS  12 -14.738   6.594   6.594
   93   2HE   LYS  12          2HE       LYS  12 -15.118   7.702   7.702
   94   1HZ   LYS  12          1HZ       LYS  12 -12.421   7.535   7.535
   95   2HZ   LYS  12          2HZ       LYS  12 -13.611   8.622   8.622
   96   3HZ   LYS  12          3HZ       LYS  12 -12.983   8.696   8.696
   97    H    GLU  13           H        GLU  13 -11.157   4.082   4.082
   98    HA   GLU  13           HA       GLU  13 -10.846   6.025   6.025
   99   1HB   GLU  13          1HB       GLU  13 -13.563   5.220   5.220
  100   2HB   GLU  13          2HB       GLU  13 -12.816   4.281   4.281
  101   1HG   GLU  13          1HG       GLU  13 -11.944   6.414   6.414
  102   2HG   GLU  13          2HG       GLU  13 -12.613   7.376   7.376
  103    H    PHE  14           H        PHE  14 -12.117   2.938   2.938
  104    HA   PHE  14           HA       PHE  14  -9.740   1.876   1.876
  105   1HB   PHE  14          1HB       PHE  14 -11.940   0.710   0.710
  106   2HB   PHE  14          2HB       PHE  14 -11.964   0.419   0.419
  107    HD1  PHE  14           HD1      PHE  14 -10.474  -0.636  -0.636
  108    HD2  PHE  14           HD2      PHE  14 -10.610  -1.449  -1.449
  109    HE1  PHE  14           HE1      PHE  14  -9.433  -2.830  -2.830
  110    HE2  PHE  14           HE2      PHE  14  -9.565  -3.645  -3.645
  111    HZ   PHE  14           HZ       PHE  14  -8.978  -4.343  -4.343
  112    H    GLY  15           H        GLY  15 -10.049   2.474   2.474
  113   1HA   GLY  15          1HA       GLY  15  -7.781   0.523   0.523
  114   2HA   GLY  15          2HA       GLY  15  -8.625   1.532   1.532
  115    H    ASN  16           H        ASN  16  -8.510   3.991   3.991
  116    HA   ASN  16           HA       ASN  16  -5.924   5.047   5.047
  117   1HB   ASN  16          1HB       ASN  16  -7.671   6.655   6.655
  118   2HB   ASN  16          2HB       ASN  16  -8.161   5.919   5.919
  119   1HD2  ASN  16          1HD2      ASN  16  -6.438   8.583   8.583
  120   2HD2  ASN  16          2HD2      ASN  16  -7.996   7.607   7.607
  121    H    THR  17           H        THR  17  -7.015   3.440   3.440
  122    HA   THR  17           HA       THR  17  -4.911   4.199   4.199
  123    HB   THR  17           HB       THR  17  -5.954   1.305   1.305
  124    HG1  THR  17           HG1      THR  17  -7.744   2.047   2.047
  125   1HG2  THR  17          3HG2      THR  17  -5.418   3.113   3.113
  126   2HG2  THR  17          1HG2      THR  17  -6.053   1.450   1.450
  127   3HG2  THR  17          2HG2      THR  17  -4.406   1.738   1.738
  128    H    LEU  18           H        LEU  18  -4.936   1.569   1.569
  129    HA   LEU  18           HA       LEU  18  -2.276   0.576   0.576
  130   1HB   LEU  18          1HB       LEU  18  -3.373   0.547   0.547
  131   2HB   LEU  18          2HB       LEU  18  -2.333  -0.635  -0.635
  132    HG   LEU  18           HG       LEU  18  -5.319  -0.394  -0.394
  133   1HD1  LEU  18          3HD2      LEU  18  -3.973  -2.286  -2.286
  134   2HD1  LEU  18          1HD2      LEU  18  -3.512  -2.863  -2.863
  135   3HD1  LEU  18          2HD2      LEU  18  -5.231  -2.863  -2.863
  136   1HD2  LEU  18          2HD1      LEU  18  -4.765   0.107   0.107
  137   2HD2  LEU  18          3HD1      LEU  18  -5.634  -1.436  -1.436
  138   3HD2  LEU  18          1HD1      LEU  18  -3.878  -1.426  -1.426
  139    H    GLU  19           H        GLU  19  -3.339   3.133   3.133
  140    HA   GLU  19           HA       GLU  19  -0.447   3.549   3.549
  141   1HB   GLU  19          1HB       GLU  19  -2.665   3.529   3.529
  142   2HB   GLU  19          2HB       GLU  19  -2.901   5.158   5.158
  143   1HG   GLU  19          1HG       GLU  19  -0.783   5.933   5.933
  144   2HG   GLU  19          2HG       GLU  19  -0.308   4.300   4.300
  145    H    ASP  20           H        ASP  20  -1.428   4.146   4.146
  146    HA   ASP  20           HA       ASP  20  -0.238   6.948   6.948
  147   1HB   ASP  20          1HB       ASP  20  -2.871   6.581   6.581
  148   2HB   ASP  20          2HB       ASP  20  -2.116   6.192   6.192
  149    H    LYS  21           H        LYS  21  -0.821   4.079   4.079
  150    HA   LYS  21           HA       LYS  21   1.512   4.846   4.846
  151   1HB   LYS  21          1HB       LYS  21   0.659   3.295   3.295
  152   2HB   LYS  21          2HB       LYS  21  -0.822   3.629   3.629
  153   1HG   LYS  21          1HG       LYS  21   0.627   1.437   1.437
  154   2HG   LYS  21          2HG       LYS  21   0.540   1.078   1.078
  155   1HD   LYS  21          1HD       LYS  21  -2.064   1.746   1.746
  156   2HD   LYS  21          2HD       LYS  21  -1.680   1.424   1.424
  157   1HE   LYS  21          1HE       LYS  21  -2.008  -0.822  -0.822
  158   2HE   LYS  21          2HE       LYS  21  -0.432  -0.777  -0.777
  159   1HZ   LYS  21          3HZ       LYS  21  -1.887   0.213   0.213
  160   2HZ   LYS  21          1HZ       LYS  21  -3.106  -0.653  -0.653
  161   3HZ   LYS  21          2HZ       LYS  21  -1.722  -1.444  -1.444
  162    H    ALA  22           H        ALA  22   0.860   2.887   2.887
  163    HA   ALA  22           HA       ALA  22   3.380   1.325   1.325
  164   1HB   ALA  22          2HB       ALA  22   1.418   0.573   0.573
  165   2HB   ALA  22          3HB       ALA  22   1.591   1.998   1.998
  166   3HB   ALA  22          1HB       ALA  22   2.857   0.748   0.748
  167    H    ARG  23           H        ARG  23   2.791   4.581   4.581
  168    HA   ARG  23           HA       ARG  23   4.929   4.981   4.981
  169   1HB   ARG  23          1HB       ARG  23   2.982   6.619   6.619
  170   2HB   ARG  23          2HB       ARG  23   4.544   7.416   7.416
  171   1HG   ARG  23          1HG       ARG  23   3.257   8.242   8.242
  172   2HG   ARG  23          2HG       ARG  23   4.555   7.236   7.236
  173   1HD   ARG  23          1HD       ARG  23   2.362   5.421   5.421
  174   2HD   ARG  23          2HD       ARG  23   1.622   6.891   6.891
  175    HE   ARG  23           HE       ARG  23   3.811   5.256   5.256
  176   1HH1  ARG  23          2HH2      ARG  23   1.532   7.875   7.875
  177   2HH1  ARG  23          1HH2      ARG  23   1.738   7.984   7.984
  178   1HH2  ARG  23          1HH1      ARG  23   3.972   5.438   5.438
  179   2HH2  ARG  23          2HH1      ARG  23   3.064   6.667   6.667
  180    H    GLU  24           H        GLU  24   4.766   5.233   5.233
  181    HA   GLU  24           HA       GLU  24   7.600   6.197   6.197
  182   1HB   GLU  24          1HB       GLU  24   5.884   5.014   5.014
  183   2HB   GLU  24          2HB       GLU  24   7.254   6.085   6.085
  184   1HG   GLU  24          1HG       GLU  24   5.994   8.041   8.041
  185   2HG   GLU  24          2HG       GLU  24   4.808   7.141   7.141
  186    H    LEU  25           H        LEU  25   5.850   3.189   3.189
  187    HA   LEU  25           HA       LEU  25   8.223   1.584   1.584
  188   1HB   LEU  25          1HB       LEU  25   6.418   0.211   0.211
  189   2HB   LEU  25          2HB       LEU  25   5.386   1.110   1.110
  190    HG   LEU  25           HG       LEU  25   7.417  -0.780  -0.780
  191   1HD1  LEU  25          2HD1      LEU  25   6.482  -2.097  -2.097
  192   2HD1  LEU  25          3HD1      LEU  25   4.821  -1.751  -1.751
  193   3HD1  LEU  25          1HD1      LEU  25   5.906  -2.739  -2.739
  194   1HD2  LEU  25          2HD2      LEU  25   4.477  -0.064  -0.064
  195   2HD2  LEU  25          3HD2      LEU  25   5.937   0.497   0.497
  196   3HD2  LEU  25          1HD2      LEU  25   5.491  -1.211  -1.211
  197    H    ILE  26           H        ILE  26   7.017   2.860   2.860
  198    HA   ILE  26           HA       ILE  26   8.571   1.063   1.063
  199    HB   ILE  26           HB       ILE  26   7.106   3.681   3.681
  200   1HG1  ILE  26          1HG1      ILE  26   7.158   1.425   1.425
  201   2HG1  ILE  26          2HG1      ILE  26   6.267   1.215   1.215
  202   1HG2  ILE  26          2HG2      ILE  26   9.286   4.326   4.326
  203   2HG2  ILE  26          3HG2      ILE  26   9.215   2.854   2.854
  204   3HG2  ILE  26          1HG2      ILE  26   8.016   4.152   4.152
  205   1HD1  ILE  26          2HD1      ILE  26   4.867   3.265   3.265
  206   2HD1  ILE  26          3HD1      ILE  26   5.672   3.455   3.455
  207   3HD1  ILE  26          1HD1      ILE  26   4.704   2.009   2.009
  208    H    SER  27           H        SER  27   9.363   3.935   3.935
  209    HA   SER  27           HA       SER  27  12.033   4.269   4.269
  210   1HB   SER  27          1HB       SER  27  11.637   6.120   6.120
  211   2HB   SER  27          2HB       SER  27  10.612   5.264   5.264
  212    HG   SER  27           HG       SER  27  12.280   5.068   5.068
  213    H    ARG  28           H        ARG  28  10.759   2.209   2.209
  214    HA   ARG  28           HA       ARG  28  13.401   0.978   0.978
  215   1HB   ARG  28          1HB       ARG  28  11.298   0.934   0.934
  216   2HB   ARG  28          2HB       ARG  28  10.561  -0.202  -0.202
  217   1HG   ARG  28          1HG       ARG  28  13.175  -1.325  -1.325
  218   2HG   ARG  28          2HG       ARG  28  12.495  -0.697  -0.697
  219   1HD   ARG  28          1HD       ARG  28  10.301  -1.989  -1.989
  220   2HD   ARG  28          2HD       ARG  28  11.229  -2.754  -2.754
  221    HE   ARG  28           HE       ARG  28  11.547  -3.217  -3.217
  222   1HH1  ARG  28          2HH2      ARG  28  13.133  -3.529  -3.529
  223   2HH1  ARG  28          1HH2      ARG  28  14.263  -4.847  -4.847
  224   1HH2  ARG  28          1HH1      ARG  28  12.802  -4.645  -4.645
  225   2HH2  ARG  28          2HH1      ARG  28  14.088  -5.458  -5.458
  226    H    ILE  29           H        ILE  29  11.031   0.593   0.593
  227    HA   ILE  29           HA       ILE  29  11.780  -2.235  -2.235
  228    HB   ILE  29           HB       ILE  29   9.969  -0.166  -0.166
  229   1HG1  ILE  29          1HG1      ILE  29   8.854  -2.891  -2.891
  230   2HG1  ILE  29          2HG1      ILE  29   9.518  -2.499  -2.499
  231   1HG2  ILE  29          2HG2      ILE  29  11.161  -1.130  -1.130
  232   2HG2  ILE  29          3HG2      ILE  29  10.776  -2.781  -2.781
  233   3HG2  ILE  29          1HG2      ILE  29   9.499  -1.657  -1.657
  234   1HD1  ILE  29          2HD1      ILE  29   8.158  -0.380  -0.380
  235   2HD1  ILE  29          3HD1      ILE  29   7.373  -0.794  -0.794
  236   3HD1  ILE  29          1HD1      ILE  29   7.167  -1.850  -1.850
  237    H    LYS  30           H        LYS  30  12.698   0.926   0.926
  238    HA   LYS  30           HA       LYS  30  14.079   0.079   0.079
  239   1HB   LYS  30          1HB       LYS  30  14.397   2.347   2.347
  240   2HB   LYS  30          2HB       LYS  30  13.603   2.530   2.530
  241   1HG   LYS  30          1HG       LYS  30  16.408   1.758   1.758
  242   2HG   LYS  30          2HG       LYS  30  16.393   3.058   3.058
  243   1HD   LYS  30          1HD       LYS  30  14.842   3.194   3.194
  244   2HD   LYS  30          2HD       LYS  30  16.557   3.636   3.636
  245   1HE   LYS  30          1HE       LYS  30  14.726   4.852   4.852
  246   2HE   LYS  30          2HE       LYS  30  14.523   5.473   5.473
  247   1HZ   LYS  30          1HZ       LYS  30  17.240   5.172   5.172
  248   2HZ   LYS  30          2HZ       LYS  30  16.298   6.509   6.509
  249   3HZ   LYS  30          3HZ       LYS  30  16.694   6.200   6.200
  250    H    GLN  31           H        GLN  31  14.994  -0.078  -0.078
  251    HA   GLN  31           HA       GLN  31  17.907  -0.372  -0.372
  252   1HB   GLN  31          1HB       GLN  31  16.504   0.722   0.722
  253   2HB   GLN  31          2HB       GLN  31  16.978  -0.840  -0.840
  254   1HG   GLN  31          1HG       GLN  31  19.459  -0.175  -0.175
  255   2HG   GLN  31          2HG       GLN  31  18.829   1.444   1.444
  256   1HE2  GLN  31          2HE2      GLN  31  18.423   1.235   1.235
  257   2HE2  GLN  31          1HE2      GLN  31  17.162   1.184   1.184
  258    H    SER  32           H        SER  32  15.896  -2.434  -2.434
  259    HA   SER  32           HA       SER  32  17.847  -4.588  -4.588
  260   1HB   SER  32          1HB       SER  32  16.248  -4.322  -4.322
  261   2HB   SER  32          2HB       SER  32  15.547  -5.701  -5.701
  262    HG   SER  32           HG       SER  32  17.395  -6.799  -6.799
  263    H    GLU  33           H        GLU  33  16.204  -3.295  -3.295
  264    HA   GLU  33           HA       GLU  33  15.134  -5.921  -5.921
  265   1HB   GLU  33          1HB       GLU  33  13.717  -3.377  -3.377
  266   2HB   GLU  33          2HB       GLU  33  13.701  -3.672  -3.672
  267   1HG   GLU  33          1HG       GLU  33  12.936  -6.202  -6.202
  268   2HG   GLU  33          2HG       GLU  33  12.120  -4.988  -4.988
  269    H    LEU  34           H        LEU  34  17.695  -4.491  -4.491
  270    HA   LEU  34           HA       LEU  34  17.608  -4.217  -4.217
  271   1HB   LEU  34          1HB       LEU  34  19.908  -2.992  -2.992
  272   2HB   LEU  34          2HB       LEU  34  18.424  -2.110  -2.110
  273    HG   LEU  34           HG       LEU  34  20.115  -3.429  -3.429
  274   1HD1  LEU  34          2HD1      LEU  34  21.401  -1.626  -1.626
  275   2HD1  LEU  34          3HD1      LEU  34  20.069  -0.473  -0.473
  276   3HD1  LEU  34          1HD1      LEU  34  20.978  -1.123  -1.123
  277   1HD2  LEU  34          2HD2      LEU  34  17.790  -1.384  -1.384
  278   2HD2  LEU  34          3HD2      LEU  34  17.778  -3.067  -3.067
  279   3HD2  LEU  34          1HD2      LEU  34  18.822  -1.879  -1.879
  280    H    SER  35           H        SER  35  19.531  -5.340  -5.340
  281    HA   SER  35           HA       SER  35  20.964  -7.226  -7.226
  282   1HB   SER  35          1HB       SER  35  19.983  -7.734  -7.734
  283   2HB   SER  35          2HB       SER  35  21.311  -8.682  -8.682
  284    HG   SER  35           HG       SER  35  19.972  -9.572  -9.572
  285    H    ALA  36           H        ALA  36  21.465  -4.458  -4.458
  286    HA   ALA  36           HA       ALA  36  24.168  -4.125  -4.125
  287   1HB   ALA  36          2HB       ALA  36  24.473  -6.234  -6.234
  288   2HB   ALA  36          3HB       ALA  36  23.478  -5.556  -5.556
  289   3HB   ALA  36          1HB       ALA  36  25.056  -4.831  -4.831
  290    H    LYS  37           H        LYS  37  22.064  -4.171  -4.171
  291    HA   LYS  37           HA       LYS  37  21.074  -1.418  -1.418
  292   1HB   LYS  37          1HB       LYS  37  22.002  -0.773  -0.773
  293   2HB   LYS  37          2HB       LYS  37  22.847  -0.334  -0.334
  294   1HG   LYS  37          1HG       LYS  37  24.468  -2.136  -2.136
  295   2HG   LYS  37          2HG       LYS  37  23.425  -3.054  -3.054
  296   1HD   LYS  37          1HD       LYS  37  24.684  -0.329  -0.329
  297   2HD   LYS  37          2HD       LYS  37  25.512  -1.874  -1.874
  298   1HE   LYS  37          1HE       LYS  37  23.181  -2.593  -2.593
  299   2HE   LYS  37          2HE       LYS  37  22.936  -0.846  -0.846
  300   1HZ   LYS  37          1HZ       LYS  37  25.522  -2.055  -2.055
  301   2HZ   LYS  37          2HZ       LYS  37  24.211  -2.061  -2.061
  302   3HZ   LYS  37          3HZ       LYS  37  24.838  -0.602  -0.602
  303    H    MET  38           H        MET  38  20.169  -4.160  -4.160
  304    HA   MET  38           HA       MET  38  18.877  -3.870  -3.870
  305   1HB   MET  38          1HB       MET  38  20.019  -6.091  -6.091
  306   2HB   MET  38          2HB       MET  38  18.298  -6.404  -6.404
  307   1HG   MET  38          1HG       MET  38  19.431  -5.580  -5.580
  308   2HG   MET  38          2HG       MET  38  20.258  -6.989  -6.989
  309   1HE   MET  38          2HE       MET  38  19.450  -9.098  -9.098
  310   2HE   MET  38          1HE       MET  38  18.100  -8.776  -8.776
  311   3HE   MET  38          3HE       MET  38  17.830  -9.786  -9.786

  Start of MODEL    3
    1   1H    THR   1          1H        THR   1 -15.553   4.933   4.933
    2   2H    THR   1          2H        THR   1 -14.904   3.382   3.382
    3   3H    THR   1          3H        THR   1 -14.221   4.557   4.557
    4    HA   THR   1           HA       THR   1 -16.208   4.690   4.690
    5    HB   THR   1           HB       THR   1 -15.810   1.740   1.740
    6    HG1  THR   1           HG1      THR   1 -13.595   1.865   1.865
    7   1HG2  THR   1          3HG2      THR   1 -14.829   3.941   3.941
    8   2HG2  THR   1          1HG2      THR   1 -14.803   2.189   2.189
    9   3HG2  THR   1          2HG2      THR   1 -16.347   3.025   3.025
   10    HA   PRO   2           HA       PRO   2 -20.067   2.923   2.923
   11   1HB   PRO   2          1HB       PRO   2 -21.667   3.637   3.637
   12   2HB   PRO   2          2HB       PRO   2 -20.443   4.896   4.896
   13   1HG   PRO   2          1HG       PRO   2 -19.764   2.964   2.964
   14   2HG   PRO   2          2HG       PRO   2 -20.140   4.813   4.813
   15   1HD   PRO   2          1HD       PRO   2 -17.706   3.406   3.406
   16   2HD   PRO   2          2HD       PRO   2 -18.055   5.055   5.055
   17    H    ASP   3           H        ASP   3 -21.216   2.113   2.113
   18    HA   ASP   3           HA       ASP   3 -21.286  -0.735  -0.735
   19   1HB   ASP   3          1HB       ASP   3 -23.166   0.574   0.574
   20   2HB   ASP   3          2HB       ASP   3 -22.150   0.389   0.389
   21    H    VAL   4           H        VAL   4 -19.342  -1.511  -1.511
   22    HA   VAL   4           HA       VAL   4 -17.258  -0.967  -0.967
   23    HB   VAL   4           HB       VAL   4 -16.581  -1.512  -1.512
   24   1HG1  VAL   4          1HG2      VAL   4 -17.939  -4.293  -4.293
   25   2HG1  VAL   4          2HG2      VAL   4 -16.891  -3.734  -3.734
   26   3HG1  VAL   4          3HG2      VAL   4 -18.437  -2.950  -2.950
   27   1HG2  VAL   4          2HG1      VAL   4 -14.983  -2.423  -2.423
   28   2HG2  VAL   4          3HG1      VAL   4 -14.943  -3.364  -3.364
   29   3HG2  VAL   4          1HG1      VAL   4 -15.802  -4.002  -4.002
   30    H    SER   5           H        SER   5 -19.823  -3.246  -3.246
   31    HA   SER   5           HA       SER   5 -18.468  -5.424  -5.424
   32   1HB   SER   5          1HB       SER   5 -21.497  -4.846  -4.846
   33   2HB   SER   5          2HB       SER   5 -20.740  -6.400  -6.400
   34    HG   SER   5           HG       SER   5 -19.840  -6.101  -6.101
   35    H    SER   6           H        SER   6 -20.562  -2.786  -2.786
   36    HA   SER   6           HA       SER   6 -19.722  -3.497  -3.497
   37   1HB   SER   6          1HB       SER   6 -22.337  -2.356  -2.356
   38   2HB   SER   6          2HB       SER   6 -21.903  -1.997  -1.997
   39    HG   SER   6           HG       SER   6 -22.363  -4.530  -4.530
   40    H    ALA   7           H        ALA   7 -18.218  -1.977  -1.977
   41    HA   ALA   7           HA       ALA   7 -18.356   0.771   0.771
   42   1HB   ALA   7          2HB       ALA   7 -18.178   0.637   0.637
   43   2HB   ALA   7          3HB       ALA   7 -16.670  -0.298  -0.298
   44   3HB   ALA   7          1HB       ALA   7 -16.720   1.400   1.400
   45    H    LEU   8           H        LEU   8 -16.546  -2.139  -2.139
   46    HA   LEU   8           HA       LEU   8 -14.273  -0.886  -0.886
   47   1HB   LEU   8          1HB       LEU   8 -14.340  -3.179  -3.179
   48   2HB   LEU   8          2HB       LEU   8 -15.007  -3.868  -3.868
   49    HG   LEU   8           HG       LEU   8 -12.410  -4.005  -4.005
   50   1HD1  LEU   8          2HD1      LEU   8 -13.533  -4.932  -4.932
   51   2HD1  LEU   8          3HD1      LEU   8 -13.460  -3.337  -3.337
   52   3HD1  LEU   8          1HD1      LEU   8 -11.962  -4.219  -4.219
   53   1HD2  LEU   8          2HD2      LEU   8 -12.562  -1.244  -1.244
   54   2HD2  LEU   8          3HD2      LEU   8 -11.913  -1.582  -1.582
   55   3HD2  LEU   8          1HD2      LEU   8 -11.073  -2.208  -2.208
   56    H    ASP   9           H        ASP   9 -17.316  -2.435  -2.435
   57    HA   ASP   9           HA       ASP   9 -17.133  -2.697  -2.697
   58   1HB   ASP   9          1HB       ASP   9 -19.222  -3.252  -3.252
   59   2HB   ASP   9          2HB       ASP   9 -19.507  -1.546  -1.546
   60    H    LYS  10           H        LYS  10 -17.372   0.219   0.219
   61    HA   LYS  10           HA       LYS  10 -18.277   1.988   1.988
   62   1HB   LYS  10          1HB       LYS  10 -17.829   2.353   2.353
   63   2HB   LYS  10          2HB       LYS  10 -16.265   2.942   2.942
   64   1HG   LYS  10          1HG       LYS  10 -18.264   4.677   4.677
   65   2HG   LYS  10          2HG       LYS  10 -17.196   4.846   4.846
   66   1HD   LYS  10          1HD       LYS  10 -18.905   3.909   3.909
   67   2HD   LYS  10          2HD       LYS  10 -19.851   3.282   3.282
   68   1HE   LYS  10          1HE       LYS  10 -19.819   5.898   5.898
   69   2HE   LYS  10          2HE       LYS  10 -19.565   6.198   6.198
   70   1HZ   LYS  10          2HZ       LYS  10 -21.494   4.512   4.512
   71   2HZ   LYS  10          3HZ       LYS  10 -21.850   4.886   4.886
   72   3HZ   LYS  10          1HZ       LYS  10 -21.831   6.100   6.100
   73    H    LEU  11           H        LEU  11 -15.072   0.908   0.908
   74    HA   LEU  11           HA       LEU  11 -13.783   2.658   2.658
   75   1HB   LEU  11          1HB       LEU  11 -12.470   0.312   0.312
   76   2HB   LEU  11          2HB       LEU  11 -11.660   1.656   1.656
   77    HG   LEU  11           HG       LEU  11 -13.338   1.794   1.794
   78   1HD1  LEU  11          2HD1      LEU  11 -11.094   0.694   0.694
   79   2HD1  LEU  11          3HD1      LEU  11 -10.291   2.108   2.108
   80   3HD1  LEU  11          1HD1      LEU  11 -11.134   2.259   2.259
   81   1HD2  LEU  11          2HD2      LEU  11 -11.830   4.079   4.079
   82   2HD2  LEU  11          3HD2      LEU  11 -13.586   3.963   3.963
   83   3HD2  LEU  11          1HD2      LEU  11 -12.502   4.187   4.187
   84    H    LYS  12           H        LYS  12 -13.662  -0.839  -0.839
   85    HA   LYS  12           HA       LYS  12 -12.670  -2.350  -2.350
   86   1HB   LYS  12          1HB       LYS  12 -15.160  -2.711  -2.711
   87   2HB   LYS  12          2HB       LYS  12 -15.487  -1.582  -1.582
   88   1HG   LYS  12          1HG       LYS  12 -15.643  -3.849  -3.849
   89   2HG   LYS  12          2HG       LYS  12 -14.181  -3.119  -3.119
   90   1HD   LYS  12          1HD       LYS  12 -13.114  -4.401  -4.401
   91   2HD   LYS  12          2HD       LYS  12 -14.558  -5.406  -5.406
   92   1HE   LYS  12          1HE       LYS  12 -13.411  -4.868  -4.868
   93   2HE   LYS  12          2HE       LYS  12 -12.100  -5.436  -5.436
   94   1HZ   LYS  12          2HZ       LYS  12 -13.750  -7.217  -7.217
   95   2HZ   LYS  12          3HZ       LYS  12 -14.656  -6.794  -6.794
   96   3HZ   LYS  12          1HZ       LYS  12 -13.083  -7.359  -7.359
   97    H    GLU  13           H        GLU  13 -11.106  -0.581  -0.581
   98    HA   GLU  13           HA       GLU  13 -10.499  -0.495  -0.495
   99   1HB   GLU  13          1HB       GLU  13 -13.067   0.474   0.474
  100   2HB   GLU  13          2HB       GLU  13 -12.251   1.991   1.991
  101   1HG   GLU  13          1HG       GLU  13 -10.808   1.504   1.504
  102   2HG   GLU  13          2HG       GLU  13 -11.848   0.138   0.138
  103    H    PHE  14           H        PHE  14 -11.449   2.592   2.592
  104    HA   PHE  14           HA       PHE  14  -8.914   3.759   3.759
  105   1HB   PHE  14          1HB       PHE  14 -10.901   5.013   5.013
  106   2HB   PHE  14          2HB       PHE  14 -11.387   3.835   3.835
  107    HD1  PHE  14           HD1      PHE  14  -9.795   3.557   3.557
  108    HD2  PHE  14           HD2      PHE  14  -9.770   6.980   6.980
  109    HE1  PHE  14           HE1      PHE  14  -8.888   4.936   4.936
  110    HE2  PHE  14           HE2      PHE  14  -8.864   8.356   8.356
  111    HZ   PHE  14           HZ       PHE  14  -8.423   7.339   7.339
  112    H    GLY  15           H        GLY  15  -9.798   0.889   0.889
  113   1HA   GLY  15          1HA       GLY  15  -7.677   1.528   1.528
  114   2HA   GLY  15          2HA       GLY  15  -8.881   0.227   0.227
  115    H    ASN  16           H        ASN  16  -8.659  -0.859  -0.859
  116    HA   ASN  16           HA       ASN  16  -6.421  -2.634  -2.634
  117   1HB   ASN  16          1HB       ASN  16  -8.116  -3.155  -3.155
  118   2HB   ASN  16          2HB       ASN  16  -8.122  -1.550  -1.550
  119   1HD2  ASN  16          1HD2      ASN  16  -6.321  -3.080  -3.080
  120   2HD2  ASN  16          2HD2      ASN  16  -7.919  -2.333  -2.333
  121    H    THR  17           H        THR  17  -6.575   0.623   0.623
  122    HA   THR  17           HA       THR  17  -4.051   0.561   0.561
  123    HB   THR  17           HB       THR  17  -5.402   2.935   2.935
  124    HG1  THR  17           HG1      THR  17  -6.229   3.348   3.348
  125   1HG2  THR  17          3HG2      THR  17  -3.383   3.045   3.045
  126   2HG2  THR  17          1HG2      THR  17  -4.282   4.434   4.434
  127   3HG2  THR  17          2HG2      THR  17  -3.066   3.631   3.631
  128    H    LEU  18           H        LEU  18  -4.818   1.353   1.353
  129    HA   LEU  18           HA       LEU  18  -2.074   2.080   2.080
  130   1HB   LEU  18          1HB       LEU  18  -3.969   0.669   0.669
  131   2HB   LEU  18          2HB       LEU  18  -2.802   1.932   1.932
  132    HG   LEU  18           HG       LEU  18  -5.640   2.147   2.147
  133   1HD1  LEU  18          3HD2      LEU  18  -4.954   2.638   2.638
  134   2HD1  LEU  18          1HD2      LEU  18  -4.029   4.027   4.027
  135   3HD1  LEU  18          2HD2      LEU  18  -5.800   3.987   3.987
  136   1HD2  LEU  18          2HD1      LEU  18  -4.236   3.240   3.240
  137   2HD2  LEU  18          3HD1      LEU  18  -5.265   4.415   4.415
  138   3HD2  LEU  18          1HD1      LEU  18  -3.524   4.317   4.317
  139    H    GLU  19           H        GLU  19  -3.721  -0.969  -0.969
  140    HA   GLU  19           HA       GLU  19  -1.303  -2.366  -2.366
  141   1HB   GLU  19          1HB       GLU  19  -3.903  -2.826  -2.826
  142   2HB   GLU  19          2HB       GLU  19  -3.875  -3.684  -3.684
  143   1HG   GLU  19          1HG       GLU  19  -3.520  -5.483  -5.483
  144   2HG   GLU  19          2HG       GLU  19  -1.856  -5.100  -5.100
  145    H    ASP  20           H        ASP  20  -1.253  -1.018  -1.018
  146    HA   ASP  20           HA       ASP  20  -0.027  -3.458  -3.458
  147   1HB   ASP  20          1HB       ASP  20  -2.264  -2.522  -2.522
  148   2HB   ASP  20          2HB       ASP  20  -1.288  -1.153  -1.153
  149    H    LYS  21           H        LYS  21  -0.107   0.055   0.055
  150    HA   LYS  21           HA       LYS  21   2.687   0.158   0.158
  151   1HB   LYS  21          1HB       LYS  21   2.175   2.347   2.347
  152   2HB   LYS  21          2HB       LYS  21   0.514   1.854   1.854
  153   1HG   LYS  21          1HG       LYS  21   1.616   2.622   2.622
  154   2HG   LYS  21          2HG       LYS  21   2.156   3.839   3.839
  155   1HD   LYS  21          1HD       LYS  21  -0.092   4.530   4.530
  156   2HD   LYS  21          2HD       LYS  21  -0.782   2.967   2.967
  157   1HE   LYS  21          1HE       LYS  21  -0.988   3.630   3.630
  158   2HE   LYS  21          2HE       LYS  21   0.726   4.065   4.065
  159   1HZ   LYS  21          1HZ       LYS  21  -1.089   5.848   5.848
  160   2HZ   LYS  21          2HZ       LYS  21  -1.099   5.879   5.879
  161   3HZ   LYS  21          3HZ       LYS  21   0.321   6.208   6.208
  162    H    ALA  22           H        ALA  22   1.094   0.264   0.264
  163    HA   ALA  22           HA       ALA  22   3.452   1.292   1.292
  164   1HB   ALA  22          2HB       ALA  22   1.110   1.289   1.289
  165   2HB   ALA  22          3HB       ALA  22   1.075  -0.490  -0.490
  166   3HB   ALA  22          1HB       ALA  22   2.193   0.369   0.369
  167    H    ARG  23           H        ARG  23   2.527  -1.800  -1.800
  168    HA   ARG  23           HA       ARG  23   4.354  -3.496  -3.496
  169   1HB   ARG  23          1HB       ARG  23   2.989  -3.485  -3.485
  170   2HB   ARG  23          2HB       ARG  23   4.535  -4.309  -4.309
  171   1HG   ARG  23          1HG       ARG  23   2.714  -5.952  -5.952
  172   2HG   ARG  23          2HG       ARG  23   3.814  -5.857  -5.857
  173   1HD   ARG  23          1HD       ARG  23   1.579  -3.865  -3.865
  174   2HD   ARG  23          2HD       ARG  23   0.998  -5.542  -5.542
  175    HE   ARG  23           HE       ARG  23   2.863  -4.484  -4.484
  176   1HH1  ARG  23          2HH2      ARG  23   0.953  -7.135  -7.135
  177   2HH1  ARG  23          1HH2      ARG  23   1.062  -8.033  -8.033
  178   1HH2  ARG  23          1HH1      ARG  23   2.930  -5.514  -5.514
  179   2HH2  ARG  23          2HH1      ARG  23   2.139  -7.162  -7.162
  180    H    GLU  24           H        GLU  24   4.984  -1.341  -1.341
  181    HA   GLU  24           HA       GLU  24   7.767  -2.348  -2.348
  182   1HB   GLU  24          1HB       GLU  24   6.630   0.330   0.330
  183   2HB   GLU  24          2HB       GLU  24   7.977  -0.559  -0.559
  184   1HG   GLU  24          1HG       GLU  24   6.564  -2.162  -2.162
  185   2HG   GLU  24          2HG       GLU  24   5.227  -1.933  -1.933
  186    H    LEU  25           H        LEU  25   6.265   0.492   0.492
  187    HA   LEU  25           HA       LEU  25   8.787   1.731   1.731
  188   1HB   LEU  25          1HB       LEU  25   6.991   3.230   3.230
  189   2HB   LEU  25          2HB       LEU  25   5.851   1.986   1.986
  190    HG   LEU  25           HG       LEU  25   8.003   2.791   2.791
  191   1HD1  LEU  25          2HD1      LEU  25   7.141   4.971   4.971
  192   2HD1  LEU  25          3HD1      LEU  25   5.464   4.470   4.470
  193   3HD1  LEU  25          1HD1      LEU  25   6.607   4.723   4.723
  194   1HD2  LEU  25          2HD2      LEU  25   5.029   1.964   1.964
  195   2HD2  LEU  25          3HD2      LEU  25   6.458   0.971   0.971
  196   3HD2  LEU  25          1HD2      LEU  25   6.110   2.405   2.405
  197    H    ILE  26           H        ILE  26   6.999  -0.974  -0.974
  198    HA   ILE  26           HA       ILE  26   8.192  -0.909  -0.909
  199    HB   ILE  26           HB       ILE  26   6.500  -2.820  -2.820
  200   1HG1  ILE  26          1HG1      ILE  26   6.272  -2.460  -2.460
  201   2HG1  ILE  26          2HG1      ILE  26   5.791  -1.148  -1.148
  202   1HG2  ILE  26          2HG2      ILE  26   8.321  -4.456  -4.456
  203   2HG2  ILE  26          3HG2      ILE  26   8.159  -3.951  -3.951
  204   3HG2  ILE  26          1HG2      ILE  26   6.845  -4.805  -4.805
  205   1HD1  ILE  26          2HD1      ILE  26   4.134  -2.613  -2.613
  206   2HD1  ILE  26          3HD1      ILE  26   4.512  -3.947  -3.947
  207   3HD1  ILE  26          1HD1      ILE  26   3.796  -2.450  -2.450
  208    H    SER  27           H        SER  27   9.172  -2.198  -2.198
  209    HA   SER  27           HA       SER  27  11.472  -3.704  -3.704
  210   1HB   SER  27          1HB       SER  27  11.173  -4.416  -4.416
  211   2HB   SER  27          2HB       SER  27  10.525  -2.885  -2.885
  212    HG   SER  27           HG       SER  27  12.751  -3.678  -3.678
  213    H    ARG  28           H        ARG  28  10.915  -0.406  -0.406
  214    HA   ARG  28           HA       ARG  28  13.713   0.439   0.439
  215   1HB   ARG  28          1HB       ARG  28  12.237   1.833   1.833
  216   2HB   ARG  28          2HB       ARG  28  11.002   1.915   1.915
  217   1HG   ARG  28          1HG       ARG  28  13.296   3.081   3.081
  218   2HG   ARG  28          2HG       ARG  28  13.458   3.602   3.602
  219   1HD   ARG  28          1HD       ARG  28  10.714   4.050   4.050
  220   2HD   ARG  28          2HD       ARG  28  11.429   4.375   4.375
  221    HE   ARG  28           HE       ARG  28  11.954   5.868   5.868
  222   1HH1  ARG  28          2HH2      ARG  28  12.967   5.378   5.378
  223   2HH1  ARG  28          1HH2      ARG  28  13.868   6.988   6.988
  224   1HH2  ARG  28          1HH1      ARG  28  12.951   7.593   7.593
  225   2HH2  ARG  28          2HH1      ARG  28  13.863   8.197   8.197
  226    H    ILE  29           H        ILE  29  10.972  -0.182  -0.182
  227    HA   ILE  29           HA       ILE  29  11.950   1.633   1.633
  228    HB   ILE  29           HB       ILE  29   9.579  -0.230  -0.230
  229   1HG1  ILE  29          1HG1      ILE  29   8.574   1.774   1.774
  230   2HG1  ILE  29          2HG1      ILE  29   8.609   2.009   2.009
  231   1HG2  ILE  29          2HG2      ILE  29  10.358  -0.932  -0.932
  232   2HG2  ILE  29          3HG2      ILE  29  10.385   0.771   0.771
  233   3HG2  ILE  29          1HG2      ILE  29   8.860  -0.044  -0.044
  234   1HD1  ILE  29          2HD1      ILE  29  10.781   3.279   3.279
  235   2HD1  ILE  29          3HD1      ILE  29  10.731   3.160   3.160
  236   3HD1  ILE  29          1HD1      ILE  29   9.460   4.042   4.042
  237    H    LYS  30           H        LYS  30  12.154  -1.731  -1.731
  238    HA   LYS  30           HA       LYS  30  13.292  -2.646  -2.646
  239   1HB   LYS  30          1HB       LYS  30  13.310  -3.606  -3.606
  240   2HB   LYS  30          2HB       LYS  30  14.578  -4.259  -4.259
  241   1HG   LYS  30          1HG       LYS  30  12.432  -5.682  -5.682
  242   2HG   LYS  30          2HG       LYS  30  12.959  -5.262  -5.262
  243   1HD   LYS  30          1HD       LYS  30  11.129  -3.723  -3.723
  244   2HD   LYS  30          2HD       LYS  30  10.893  -3.532  -3.532
  245   1HE   LYS  30          1HE       LYS  30   9.100  -5.033  -5.033
  246   2HE   LYS  30          2HE       LYS  30  10.209  -6.012  -6.012
  247   1HZ   LYS  30          2HZ       LYS  30  10.781  -5.754  -5.754
  248   2HZ   LYS  30          3HZ       LYS  30   9.509  -6.745  -6.745
  249   3HZ   LYS  30          1HZ       LYS  30  11.064  -7.040  -7.040
  250    H    GLN  31           H        GLN  31  14.656  -1.002  -1.002
  251    HA   GLN  31           HA       GLN  31  17.431  -1.306  -1.306
  252   1HB   GLN  31          1HB       GLN  31  16.397  -1.269  -1.269
  253   2HB   GLN  31          2HB       GLN  31  16.987   0.385   0.385
  254   1HG   GLN  31          1HG       GLN  31  19.256  -0.939  -0.939
  255   2HG   GLN  31          2HG       GLN  31  18.578  -2.235  -2.235
  256   1HE2  GLN  31          2HE2      GLN  31  20.137   1.024   1.024
  257   2HE2  GLN  31          1HE2      GLN  31  19.500   1.204   1.204
  258    H    SER  32           H        SER  32  15.650   0.169   0.169
  259    HA   SER  32           HA       SER  32  17.515   2.403   2.403
  260   1HB   SER  32          1HB       SER  32  15.836   4.306   4.306
  261   2HB   SER  32          2HB       SER  32  16.335   3.631   3.631
  262    HG   SER  32           HG       SER  32  14.320   2.228   2.228
  263    H    GLU  33           H        GLU  33  16.371   0.115   0.115
  264    HA   GLU  33           HA       GLU  33  15.426   1.656   1.656
  265   1HB   GLU  33          1HB       GLU  33  14.130  -0.532  -0.532
  266   2HB   GLU  33          2HB       GLU  33  14.476  -1.089  -1.089
  267   1HG   GLU  33          1HG       GLU  33  13.235   1.576   1.576
  268   2HG   GLU  33          2HG       GLU  33  12.287   0.655   0.655
  269    H    LEU  34           H        LEU  34  18.073   0.785   0.785
  270    HA   LEU  34           HA       LEU  34  18.721  -1.025  -1.025
  271   1HB   LEU  34          1HB       LEU  34  21.092  -1.033  -1.033
  272   2HB   LEU  34          2HB       LEU  34  19.835  -1.897  -1.897
  273    HG   LEU  34           HG       LEU  34  20.653   0.962   0.962
  274   1HD1  LEU  34          2HD1      LEU  34  22.693  -0.504  -0.504
  275   2HD1  LEU  34          3HD1      LEU  34  21.850  -1.689  -1.689
  276   3HD1  LEU  34          1HD1      LEU  34  22.203  -0.057  -0.057
  277   1HD2  LEU  34          2HD2      LEU  34  19.242  -1.295  -1.295
  278   2HD2  LEU  34          3HD2      LEU  34  18.515   0.232   0.232
  279   3HD2  LEU  34          1HD2      LEU  34  19.766   0.267   0.267
  280    H    SER  35           H        SER  35  19.640   2.033   2.033
  281    HA   SER  35           HA       SER  35  20.575   3.971   3.971
  282   1HB   SER  35          1HB       SER  35  19.109   2.671   2.671
  283   2HB   SER  35          2HB       SER  35  20.356   3.800   3.800
  284    HG   SER  35           HG       SER  35  18.705   5.119   5.119
  285    H    ALA  36           H        ALA  36  22.020   1.307   1.307
  286    HA   ALA  36           HA       ALA  36  24.398   1.126   1.126
  287   1HB   ALA  36          2HB       ALA  36  24.648   3.608   3.608
  288   2HB   ALA  36          3HB       ALA  36  24.464   3.447   3.447
  289   3HB   ALA  36          1HB       ALA  36  25.891   2.765   2.765
  290    H    LYS  37           H        LYS  37  22.723   1.344   1.344
  291    HA   LYS  37           HA       LYS  37  24.492  -0.978  -0.978
  292   1HB   LYS  37          1HB       LYS  37  25.082   0.853   0.853
  293   2HB   LYS  37          2HB       LYS  37  23.450   1.504   1.504
  294   1HG   LYS  37          1HG       LYS  37  23.112  -1.083  -1.083
  295   2HG   LYS  37          2HG       LYS  37  24.708  -0.604  -0.604
  296   1HD   LYS  37          1HD       LYS  37  23.423   1.670   1.670
  297   2HD   LYS  37          2HD       LYS  37  21.964   0.678   0.678
  298   1HE   LYS  37          1HE       LYS  37  22.860  -1.045  -1.045
  299   2HE   LYS  37          2HE       LYS  37  24.380  -0.153  -0.153
  300   1HZ   LYS  37          2HZ       LYS  37  21.838   1.253   1.253
  301   2HZ   LYS  37          3HZ       LYS  37  22.478   0.231   0.231
  302   3HZ   LYS  37          1HZ       LYS  37  23.370   1.549   1.549
  303    H    MET  38           H        MET  38  21.296   0.499   0.499
  304    HA   MET  38           HA       MET  38  20.084  -1.507  -1.507
  305   1HB   MET  38          1HB       MET  38  19.243   0.911   0.911
  306   2HB   MET  38          2HB       MET  38  18.286  -0.280  -0.280
  307   1HG   MET  38          1HG       MET  38  18.221  -0.655  -0.655
  308   2HG   MET  38          2HG       MET  38  17.541   0.873   0.873
  309   1HE   MET  38          2HE       MET  38  16.645  -2.038  -2.038
  310   2HE   MET  38          1HE       MET  38  15.315  -0.840  -0.840
  311   3HE   MET  38          3HE       MET  38  15.053  -2.458  -2.458

  Start of MODEL    4
    1   1H    THR   1          2H        THR   1 -27.324  -2.448  -2.448
    2   2H    THR   1          3H        THR   1 -26.076  -1.383  -1.383
    3   3H    THR   1          1H        THR   1 -26.259  -1.954  -1.954
    4    HA   THR   1           HA       THR   1 -25.442  -3.989  -3.989
    5    HB   THR   1           HB       THR   1 -23.930  -1.777  -1.777
    6    HG1  THR   1           HG1      THR   1 -22.209  -3.220  -3.220
    7   1HG2  THR   1          3HG2      THR   1 -23.643  -3.926  -3.926
    8   2HG2  THR   1          1HG2      THR   1 -22.539  -2.554  -2.554
    9   3HG2  THR   1          2HG2      THR   1 -24.198  -2.255  -2.255
   10    HA   PRO   2           HA       PRO   2 -26.786  -6.598  -6.598
   11   1HB   PRO   2          1HB       PRO   2 -23.855  -7.229  -7.229
   12   2HB   PRO   2          2HB       PRO   2 -25.334  -8.381  -8.381
   13   1HG   PRO   2          1HG       PRO   2 -23.529  -7.768  -7.768
   14   2HG   PRO   2          2HG       PRO   2 -25.398  -7.959  -7.959
   15   1HD   PRO   2          1HD       PRO   2 -23.445  -5.581  -5.581
   16   2HD   PRO   2          2HD       PRO   2 -24.721  -5.797  -5.797
   17    H    ASP   3           H        ASP   3 -25.524  -7.574  -7.574
   18    HA   ASP   3           HA       ASP   3 -25.730  -5.386  -5.386
   19   1HB   ASP   3          1HB       ASP   3 -25.698  -8.104  -8.104
   20   2HB   ASP   3          2HB       ASP   3 -23.988  -7.851  -7.851
   21    H    VAL   4           H        VAL   4 -23.217  -6.148  -6.148
   22    HA   VAL   4           HA       VAL   4 -21.243  -4.502  -4.502
   23    HB   VAL   4           HB       VAL   4 -20.641  -6.531  -6.531
   24   1HG1  VAL   4          1HG2      VAL   4 -20.964  -4.535  -4.535
   25   2HG1  VAL   4          2HG2      VAL   4 -20.166  -6.125  -6.125
   26   3HG1  VAL   4          3HG2      VAL   4 -21.888  -6.038  -6.038
   27   1HG2  VAL   4          2HG1      VAL   4 -18.836  -4.943  -4.943
   28   2HG2  VAL   4          3HG1      VAL   4 -18.469  -5.616  -5.616
   29   3HG2  VAL   4          1HG1      VAL   4 -19.064  -3.942  -3.942
   30    H    SER   5           H        SER   5 -23.425  -3.072  -3.072
   31    HA   SER   5           HA       SER   5 -22.664  -1.030  -1.030
   32   1HB   SER   5          1HB       SER   5 -24.832   0.119   0.119
   33   2HB   SER   5          2HB       SER   5 -25.092  -1.517  -1.517
   34    HG   SER   5           HG       SER   5 -25.955  -1.991  -1.991
   35    H    SER   6           H        SER   6 -23.266  -1.391  -1.391
   36    HA   SER   6           HA       SER   6 -21.224   0.863   0.863
   37   1HB   SER   6          1HB       SER   6 -23.825   1.265   1.265
   38   2HB   SER   6          2HB       SER   6 -23.346   0.423   0.423
   39    HG   SER   6           HG       SER   6 -21.587   1.996   1.996
   40    H    ALA   7           H        ALA   7 -20.771  -1.879  -1.879
   41    HA   ALA   7           HA       ALA   7 -20.056  -2.809  -2.809
   42   1HB   ALA   7          2HB       ALA   7 -20.829  -4.457  -4.457
   43   2HB   ALA   7          3HB       ALA   7 -19.463  -4.013  -4.013
   44   3HB   ALA   7          1HB       ALA   7 -19.170  -4.845  -4.845
   45    H    LEU   8           H        LEU   8 -18.624  -1.005  -1.005
   46    HA   LEU   8           HA       LEU   8 -15.840  -1.326  -1.326
   47   1HB   LEU   8          1HB       LEU   8 -16.374  -0.396  -0.396
   48   2HB   LEU   8          2HB       LEU   8 -17.209   0.967   0.967
   49    HG   LEU   8           HG       LEU   8 -14.235   0.513   0.513
   50   1HD1  LEU   8          2HD1      LEU   8 -14.520   0.425   0.425
   51   2HD1  LEU   8          3HD1      LEU   8 -15.407   1.969   1.969
   52   3HD1  LEU   8          1HD1      LEU   8 -13.690   1.913   1.913
   53   1HD2  LEU   8          2HD2      LEU   8 -15.993   3.066   3.066
   54   2HD2  LEU   8          3HD2      LEU   8 -15.311   2.287   2.287
   55   3HD2  LEU   8          1HD2      LEU   8 -14.229   3.048   3.048
   56    H    ASP   9           H        ASP   9 -18.548   0.667   0.667
   57    HA   ASP   9           HA       ASP   9 -17.091   2.334   2.334
   58   1HB   ASP   9          1HB       ASP   9 -19.457   2.886   2.886
   59   2HB   ASP   9          2HB       ASP   9 -20.022   1.341   1.341
   60    H    LYS  10           H        LYS  10 -18.600  -0.829  -0.829
   61    HA   LYS  10           HA       LYS  10 -18.076  -1.237  -1.237
   62   1HB   LYS  10          1HB       LYS  10 -18.305  -3.020  -3.020
   63   2HB   LYS  10          2HB       LYS  10 -17.425  -3.740  -3.740
   64   1HG   LYS  10          1HG       LYS  10 -19.490  -2.999  -2.999
   65   2HG   LYS  10          2HG       LYS  10 -20.330  -2.680  -2.680
   66   1HD   LYS  10          1HD       LYS  10 -19.826  -5.167  -5.167
   67   2HD   LYS  10          2HD       LYS  10 -19.211  -5.360  -5.360
   68   1HE   LYS  10          1HE       LYS  10 -21.504  -4.263  -4.263
   69   2HE   LYS  10          2HE       LYS  10 -22.093  -4.603  -4.603
   70   1HZ   LYS  10          1HZ       LYS  10 -20.695  -6.782  -6.782
   71   2HZ   LYS  10          2HZ       LYS  10 -22.224  -6.372  -6.372
   72   3HZ   LYS  10          3HZ       LYS  10 -22.016  -6.824  -6.824
   73    H    LEU  11           H        LEU  11 -15.898  -1.690  -1.690
   74    HA   LEU  11           HA       LEU  11 -13.573  -1.848  -1.848
   75   1HB   LEU  11          1HB       LEU  11 -13.918  -2.078  -2.078
   76   2HB   LEU  11          2HB       LEU  11 -12.352  -1.548  -1.548
   77    HG   LEU  11           HG       LEU  11 -11.945  -3.805  -3.805
   78   1HD1  LEU  11          2HD1      LEU  11 -11.541  -3.180  -3.180
   79   2HD1  LEU  11          3HD1      LEU  11 -13.194  -3.681  -3.681
   80   3HD1  LEU  11          1HD1      LEU  11 -12.013  -4.883  -4.883
   81   1HD2  LEU  11          2HD2      LEU  11 -14.865  -4.417  -4.417
   82   2HD2  LEU  11          3HD2      LEU  11 -14.181  -4.541  -4.541
   83   3HD2  LEU  11          1HD2      LEU  11 -13.630  -5.650  -5.650
   84    H    LYS  12           H        LYS  12 -13.236   0.075   0.075
   85    HA   LYS  12           HA       LYS  12 -12.508   2.334   2.334
   86   1HB   LYS  12          1HB       LYS  12 -15.011   2.504   2.504
   87   2HB   LYS  12          2HB       LYS  12 -14.474   2.812   2.812
   88   1HG   LYS  12          1HG       LYS  12 -13.401   4.549   4.549
   89   2HG   LYS  12          2HG       LYS  12 -15.004   4.858   4.858
   90   1HD   LYS  12          1HD       LYS  12 -14.109   5.784   5.784
   91   2HD   LYS  12          2HD       LYS  12 -12.790   4.600   4.600
   92   1HE   LYS  12          1HE       LYS  12 -11.368   6.192   6.192
   93   2HE   LYS  12          2HE       LYS  12 -12.222   6.028   6.028
   94   1HZ   LYS  12          1HZ       LYS  12 -13.472   7.693   7.693
   95   2HZ   LYS  12          2HZ       LYS  12 -12.129   8.300   8.300
   96   3HZ   LYS  12          3HZ       LYS  12 -13.500   7.848   7.848
   97    H    GLU  13           H        GLU  13 -13.124   2.913   2.913
   98    HA   GLU  13           HA       GLU  13 -10.670   3.894   3.894
   99   1HB   GLU  13          1HB       GLU  13 -12.726   3.420   3.420
  100   2HB   GLU  13          2HB       GLU  13 -12.311   1.724   1.724
  101   1HG   GLU  13          1HG       GLU  13  -9.991   2.635   2.635
  102   2HG   GLU  13          2HG       GLU  13 -10.932   4.065   4.065
  103    H    PHE  14           H        PHE  14 -11.240   0.441   0.441
  104    HA   PHE  14           HA       PHE  14  -8.741  -0.416  -0.416
  105   1HB   PHE  14          1HB       PHE  14 -10.016  -2.333  -2.333
  106   2HB   PHE  14          2HB       PHE  14 -10.959  -1.758  -1.758
  107    HD1  PHE  14           HD2      PHE  14  -9.623  -1.728  -1.728
  108    HD2  PHE  14           HD1      PHE  14  -8.546  -4.126  -4.126
  109    HE1  PHE  14           HE2      PHE  14  -8.480  -3.331  -3.331
  110    HE2  PHE  14           HE1      PHE  14  -7.450  -5.747  -5.747
  111    HZ   PHE  14           HZ       PHE  14  -7.414  -5.357  -5.357
  112    H    GLY  15           H        GLY  15  -9.420   0.638   0.638
  113   1HA   GLY  15          1HA       GLY  15  -6.805  -0.513  -0.513
  114   2HA   GLY  15          2HA       GLY  15  -7.961   0.454   0.454
  115    H    ASN  16           H        ASN  16  -8.300   2.658   2.658
  116    HA   ASN  16           HA       ASN  16  -6.097   4.385   4.385
  117   1HB   ASN  16          1HB       ASN  16  -8.376   5.128   5.128
  118   2HB   ASN  16          2HB       ASN  16  -8.082   4.436   4.436
  119   1HD2  ASN  16          1HD2      ASN  16  -7.222   7.791   7.791
  120   2HD2  ASN  16          2HD2      ASN  16  -8.516   6.478   6.478
  121    H    THR  17           H        THR  17  -6.498   2.096   2.096
  122    HA   THR  17           HA       THR  17  -4.471   3.261   3.261
  123    HB   THR  17           HB       THR  17  -5.167   0.258   0.258
  124    HG1  THR  17           HG1      THR  17  -6.824   0.748   0.748
  125   1HG2  THR  17          3HG2      THR  17  -4.430   1.953   1.953
  126   2HG2  THR  17          1HG2      THR  17  -4.901   0.235   0.235
  127   3HG2  THR  17          2HG2      THR  17  -3.388   0.719   0.719
  128    H    LEU  18           H        LEU  18  -4.295   0.784   0.784
  129    HA   LEU  18           HA       LEU  18  -1.425   0.289   0.289
  130   1HB   LEU  18          1HB       LEU  18  -2.713   0.210   0.210
  131   2HB   LEU  18          2HB       LEU  18  -1.530  -0.882  -0.882
  132    HG   LEU  18           HG       LEU  18  -4.553  -0.818  -0.818
  133   1HD1  LEU  18          2HD1      LEU  18  -3.758  -1.990  -1.990
  134   2HD1  LEU  18          3HD1      LEU  18  -2.672  -3.016  -3.016
  135   3HD1  LEU  18          1HD1      LEU  18  -4.437  -3.146  -3.146
  136   1HD2  LEU  18          2HD2      LEU  18  -2.451  -2.511  -2.511
  137   2HD2  LEU  18          3HD2      LEU  18  -3.538  -1.280  -1.280
  138   3HD2  LEU  18          1HD2      LEU  18  -4.215  -2.782  -2.782
  139    H    GLU  19           H        GLU  19  -3.199   2.825   2.825
  140    HA   GLU  19           HA       GLU  19  -0.651   3.800   3.800
  141   1HB   GLU  19          1HB       GLU  19  -3.101   3.722   3.722
  142   2HB   GLU  19          2HB       GLU  19  -3.444   5.116   5.116
  143   1HG   GLU  19          1HG       GLU  19  -2.942   5.942   5.942
  144   2HG   GLU  19          2HG       GLU  19  -1.608   6.434   6.434
  145    H    ASP  20           H        ASP  20  -1.119   3.822   3.822
  146    HA   ASP  20           HA       ASP  20  -0.071   6.672   6.672
  147   1HB   ASP  20          1HB       ASP  20  -2.511   6.281   6.281
  148   2HB   ASP  20          2HB       ASP  20  -1.685   5.378   5.378
  149    H    LYS  21           H        LYS  21  -0.224   3.481   3.481
  150    HA   LYS  21           HA       LYS  21   2.323   3.950   3.950
  151   1HB   LYS  21          1HB       LYS  21   1.164   1.166   1.166
  152   2HB   LYS  21          2HB       LYS  21   2.029   1.698   1.698
  153   1HG   LYS  21          1HG       LYS  21   0.093   2.609   2.609
  154   2HG   LYS  21          2HG       LYS  21  -0.567   3.174   3.174
  155   1HD   LYS  21          1HD       LYS  21  -1.850   1.317   1.317
  156   2HD   LYS  21          2HD       LYS  21  -1.521   0.990   0.990
  157   1HE   LYS  21          1HE       LYS  21   0.029  -0.715  -0.715
  158   2HE   LYS  21          2HE       LYS  21   0.698   0.100   0.100
  159   1HZ   LYS  21          2HZ       LYS  21  -1.600  -0.392  -0.392
  160   2HZ   LYS  21          3HZ       LYS  21  -1.746  -1.537  -1.537
  161   3HZ   LYS  21          1HZ       LYS  21  -0.473  -1.634  -1.634
  162    H    ALA  22           H        ALA  22   1.412   2.727   2.727
  163    HA   ALA  22           HA       ALA  22   4.037   1.555   1.555
  164   1HB   ALA  22          2HB       ALA  22   1.941   1.155   1.155
  165   2HB   ALA  22          3HB       ALA  22   1.898   2.868   2.868
  166   3HB   ALA  22          1HB       ALA  22   3.218   1.812   1.812
  167    H    ARG  23           H        ARG  23   2.848   4.817   4.817
  168    HA   ARG  23           HA       ARG  23   4.931   5.964   5.964
  169   1HB   ARG  23          1HB       ARG  23   2.838   6.968   6.968
  170   2HB   ARG  23          2HB       ARG  23   4.211   8.042   8.042
  171   1HG   ARG  23          1HG       ARG  23   2.271   8.580   8.580
  172   2HG   ARG  23          2HG       ARG  23   3.776   8.271   8.271
  173   1HD   ARG  23          1HD       ARG  23   2.482   5.695   5.695
  174   2HD   ARG  23          2HD       ARG  23   1.198   6.854   6.854
  175    HE   ARG  23           HE       ARG  23   3.052   7.673   7.673
  176   1HH1  ARG  23          2HH2      ARG  23   2.342   4.384   4.384
  177   2HH1  ARG  23          1HH2      ARG  23   2.877   3.757   3.757
  178   1HH2  ARG  23          2HH1      ARG  23   3.567   5.131   5.131
  179   2HH2  ARG  23          1HH1      ARG  23   3.612   6.922   6.922
  180    H    GLU  24           H        GLU  24   4.724   5.356   5.356
  181    HA   GLU  24           HA       GLU  24   7.311   6.861   6.861
  182   1HB   GLU  24          1HB       GLU  24   5.702   5.225   5.225
  183   2HB   GLU  24          2HB       GLU  24   6.860   6.487   6.487
  184   1HG   GLU  24          1HG       GLU  24   5.323   8.256   8.256
  185   2HG   GLU  24          2HG       GLU  24   4.354   7.251   7.251
  186    H    LEU  25           H        LEU  25   6.073   3.570   3.570
  187    HA   LEU  25           HA       LEU  25   8.672   2.408   2.408
  188   1HB   LEU  25          1HB       LEU  25   7.207   0.678   0.678
  189   2HB   LEU  25          2HB       LEU  25   5.991   1.430   1.430
  190    HG   LEU  25           HG       LEU  25   8.309  -0.159  -0.159
  191   1HD1  LEU  25          2HD1      LEU  25   7.178  -1.627  -1.627
  192   2HD1  LEU  25          3HD1      LEU  25   5.591  -1.294  -1.294
  193   3HD1  LEU  25          1HD1      LEU  25   6.835  -2.182  -2.182
  194   1HD2  LEU  25          2HD2      LEU  25   5.461   0.515   0.515
  195   2HD2  LEU  25          3HD2      LEU  25   7.000   1.170   1.170
  196   3HD2  LEU  25          1HD2      LEU  25   6.629  -0.542  -0.542
  197    H    ILE  26           H        ILE  26   7.384   3.472   3.472
  198    HA   ILE  26           HA       ILE  26   9.452   2.167   2.167
  199    HB   ILE  26           HB       ILE  26   7.462   4.411   4.411
  200   1HG1  ILE  26          1HG1      ILE  26   8.197   2.360   2.360
  201   2HG1  ILE  26          2HG1      ILE  26   7.256   1.862   1.862
  202   1HG2  ILE  26          2HG2      ILE  26   9.530   5.591   5.591
  203   2HG2  ILE  26          3HG2      ILE  26   9.880   4.204   4.204
  204   3HG2  ILE  26          1HG2      ILE  26   8.440   5.214   5.214
  205   1HD1  ILE  26          2HD1      ILE  26   5.471   3.576   3.576
  206   2HD1  ILE  26          3HD1      ILE  26   6.340   4.041   4.041
  207   3HD1  ILE  26          1HD1      ILE  26   5.700   2.398   2.398
  208    H    SER  27           H        SER  27   9.357   5.135   5.135
  209    HA   SER  27           HA       SER  27  12.036   6.034   6.034
  210   1HB   SER  27          1HB       SER  27  11.037   7.800   7.800
  211   2HB   SER  27          2HB       SER  27  10.116   6.777   6.777
  212    HG   SER  27           HG       SER  27  12.919   7.346   7.346
  213    H    ARG  28           H        ARG  28  10.850   3.867   3.867
  214    HA   ARG  28           HA       ARG  28  13.538   3.207   3.207
  215   1HB   ARG  28          1HB       ARG  28  11.576   2.660   2.660
  216   2HB   ARG  28          2HB       ARG  28  10.780   1.827   1.827
  217   1HG   ARG  28          1HG       ARG  28  13.004   0.177   0.177
  218   2HG   ARG  28          2HG       ARG  28  12.986   0.844   0.844
  219   1HD   ARG  28          1HD       ARG  28  10.270  -0.022  -0.022
  220   2HD   ARG  28          2HD       ARG  28  11.469  -1.340  -1.340
  221    HE   ARG  28           HE       ARG  28  11.610  -1.138  -1.138
  222   1HH1  ARG  28          2HH2      ARG  28   9.826   1.574   1.574
  223   2HH1  ARG  28          1HH2      ARG  28   9.286   2.087   2.087
  224   1HH2  ARG  28          1HH1      ARG  28  10.986  -0.524  -0.524
  225   2HH2  ARG  28          2HH1      ARG  28   9.913   0.950   0.950
  226    H    ILE  29           H        ILE  29  11.773   2.300   2.300
  227    HA   ILE  29           HA       ILE  29  13.157  -0.328  -0.328
  228    HB   ILE  29           HB       ILE  29  11.192   1.292   1.292
  229   1HG1  ILE  29          1HG1      ILE  29  10.742  -1.634  -1.634
  230   2HG1  ILE  29          2HG1      ILE  29  10.967  -1.053  -1.053
  231   1HG2  ILE  29          2HG2      ILE  29  12.875   0.632   0.632
  232   2HG2  ILE  29          3HG2      ILE  29  12.779  -1.067  -1.067
  233   3HG2  ILE  29          1HG2      ILE  29  11.386  -0.249  -0.249
  234   1HD1  ILE  29          2HD1      ILE  29   9.147   0.673   0.673
  235   2HD1  ILE  29          3HD1      ILE  29   8.809   0.039   0.039
  236   3HD1  ILE  29          1HD1      ILE  29   8.577  -0.998  -0.998
  237    H    LYS  30           H        LYS  30  13.546   2.920   2.920
  238    HA   LYS  30           HA       LYS  30  15.701   2.403   2.403
  239   1HB   LYS  30          1HB       LYS  30  15.748   4.705   4.705
  240   2HB   LYS  30          2HB       LYS  30  14.422   4.688   4.688
  241   1HG   LYS  30          1HG       LYS  30  16.729   4.431   4.431
  242   2HG   LYS  30          2HG       LYS  30  17.288   5.495   5.495
  243   1HD   LYS  30          1HD       LYS  30  14.589   6.218   6.218
  244   2HD   LYS  30          2HD       LYS  30  15.861   6.193   6.193
  245   1HE   LYS  30          1HE       LYS  30  16.725   7.477   7.477
  246   2HE   LYS  30          2HE       LYS  30  15.427   8.353   8.353
  247   1HZ   LYS  30          3HZ       LYS  30  16.917   7.893   7.893
  248   2HZ   LYS  30          1HZ       LYS  30  18.141   7.772   7.772
  249   3HZ   LYS  30          2HZ       LYS  30  17.234   9.183   9.183
  250    H    GLN  31           H        GLN  31  15.787   2.955   2.955
  251    HA   GLN  31           HA       GLN  31  18.776   2.466   2.466
  252   1HB   GLN  31          1HB       GLN  31  17.095   4.192   4.192
  253   2HB   GLN  31          2HB       GLN  31  17.335   2.899   2.899
  254   1HG   GLN  31          1HG       GLN  31  19.976   3.283   3.283
  255   2HG   GLN  31          2HG       GLN  31  19.427   4.830   4.830
  256   1HE2  GLN  31          2HE2      GLN  31  20.536   4.975   4.975
  257   2HE2  GLN  31          1HE2      GLN  31  21.269   4.234   4.234
  258    H    SER  32           H        SER  32  17.346   0.275   0.275
  259    HA   SER  32           HA       SER  32  18.569  -1.662  -1.662
  260   1HB   SER  32          1HB       SER  32  15.693  -0.950  -0.950
  261   2HB   SER  32          2HB       SER  32  15.969  -2.679  -2.679
  262    HG   SER  32           HG       SER  32  17.299  -2.615  -2.615
  263    H    GLU  33           H        GLU  33  18.669  -1.064  -1.064
  264    HA   GLU  33           HA       GLU  33  17.472  -3.649  -3.649
  265   1HB   GLU  33          1HB       GLU  33  17.162  -0.818  -0.818
  266   2HB   GLU  33          2HB       GLU  33  17.918  -1.705  -1.705
  267   1HG   GLU  33          1HG       GLU  33  15.662  -3.339  -3.339
  268   2HG   GLU  33          2HG       GLU  33  15.071  -1.696  -1.696
  269    H    LEU  34           H        LEU  34  20.072  -3.073  -3.073
  270    HA   LEU  34           HA       LEU  34  21.719  -3.921  -3.921
  271   1HB   LEU  34          1HB       LEU  34  23.728  -2.896  -2.896
  272   2HB   LEU  34          2HB       LEU  34  22.704  -1.826  -1.826
  273    HG   LEU  34           HG       LEU  34  22.382  -2.279  -2.279
  274   1HD1  LEU  34          2HD1      LEU  34  24.618  -1.267  -1.267
  275   2HD1  LEU  34          3HD1      LEU  34  23.833   0.021   0.021
  276   3HD1  LEU  34          1HD1      LEU  34  23.568  -0.089  -0.089
  277   1HD2  LEU  34          2HD2      LEU  34  21.174  -0.118  -0.118
  278   2HD2  LEU  34          3HD2      LEU  34  20.289  -1.401  -1.401
  279   3HD2  LEU  34          1HD2      LEU  34  21.064  -0.106  -0.106
  280    H    SER  35           H        SER  35  21.414  -4.047  -4.047
  281    HA   SER  35           HA       SER  35  22.035  -5.770  -5.770
  282   1HB   SER  35          1HB       SER  35  21.602  -7.954  -7.954
  283   2HB   SER  35          2HB       SER  35  20.913  -7.217  -7.217
  284    HG   SER  35           HG       SER  35  22.486  -8.996  -8.996
  285    H    ALA  36           H        ALA  36  23.980  -4.095  -4.095
  286    HA   ALA  36           HA       ALA  36  26.202  -3.595  -3.595
  287   1HB   ALA  36          2HB       ALA  36  25.843  -4.951  -4.951
  288   2HB   ALA  36          3HB       ALA  36  26.206  -6.456  -6.456
  289   3HB   ALA  36          1HB       ALA  36  27.479  -5.237  -5.237
  290    H    LYS  37           H        LYS  37  25.416  -6.535  -6.535
  291    HA   LYS  37           HA       LYS  37  27.808  -5.845  -5.845
  292   1HB   LYS  37          1HB       LYS  37  28.464  -8.071  -8.071
  293   2HB   LYS  37          2HB       LYS  37  27.617  -8.204  -8.204
  294   1HG   LYS  37          1HG       LYS  37  25.623  -9.172  -9.172
  295   2HG   LYS  37          2HG       LYS  37  26.124  -8.647  -8.647
  296   1HD   LYS  37          1HD       LYS  37  27.929 -10.579 -10.579
  297   2HD   LYS  37          2HD       LYS  37  26.366 -11.196 -11.196
  298   1HE   LYS  37          1HE       LYS  37  27.999  -9.532  -9.532
  299   2HE   LYS  37          2HE       LYS  37  28.581 -11.170 -11.170
  300   1HZ   LYS  37          3HZ       LYS  37  25.709 -10.779 -10.779
  301   2HZ   LYS  37          1HZ       LYS  37  26.791 -10.774 -10.774
  302   3HZ   LYS  37          2HZ       LYS  37  26.680 -12.121 -12.121
  303    H    MET  38           H        MET  38  24.532  -7.131  -7.131
  304    HA   MET  38           HA       MET  38  24.290  -7.438  -7.438
  305   1HB   MET  38          1HB       MET  38  22.793  -8.258  -8.258
  306   2HB   MET  38          2HB       MET  38  21.720  -7.130  -7.130
  307   1HG   MET  38          1HG       MET  38  22.864  -9.048  -9.048
  308   2HG   MET  38          2HG       MET  38  22.057  -9.872  -9.872
  309   1HE   MET  38          3HE       MET  38  22.162  -7.753  -7.753
  310   2HE   MET  38          2HE       MET  38  20.908  -8.794  -8.794
  311   3HE   MET  38          1HE       MET  38  20.538  -7.085  -7.085

  Start of MODEL    5
    1   1H    THR   1          2H        THR   1 -15.258 -10.488 -10.488
    2   2H    THR   1          3H        THR   1 -14.745  -9.027  -9.027
    3   3H    THR   1          1H        THR   1 -13.642 -10.034 -10.034
    4    HA   THR   1           HA       THR   1 -14.275  -9.497  -9.497
    5    HB   THR   1           HB       THR   1 -15.421  -6.942  -6.942
    6    HG1  THR   1           HG1      THR   1 -13.361  -6.347  -6.347
    7   1HG2  THR   1          3HG2      THR   1 -13.071  -7.373  -7.373
    8   2HG2  THR   1          1HG2      THR   1 -13.717  -5.794  -5.794
    9   3HG2  THR   1          2HG2      THR   1 -14.719  -6.875  -6.875
   10    HA   PRO   2           HA       PRO   2 -18.452 -10.108 -10.108
   11   1HB   PRO   2          1HB       PRO   2 -17.786  -7.795  -7.795
   12   2HB   PRO   2          2HB       PRO   2 -18.516  -9.495  -9.495
   13   1HG   PRO   2          1HG       PRO   2 -15.805  -8.880  -8.880
   14   2HG   PRO   2          2HG       PRO   2 -16.477 -10.518 -10.518
   15   1HD   PRO   2          1HD       PRO   2 -15.310  -7.937  -7.937
   16   2HD   PRO   2          2HD       PRO   2 -14.790  -9.686  -9.686
   17    H    ASP   3           H        ASP   3 -20.113  -8.407  -8.407
   18    HA   ASP   3           HA       ASP   3 -21.294  -6.893  -6.893
   19   1HB   ASP   3          1HB       ASP   3 -22.710  -7.470  -7.470
   20   2HB   ASP   3          2HB       ASP   3 -21.596  -6.717  -6.717
   21    H    VAL   4           H        VAL   4 -20.082  -5.634  -5.634
   22    HA   VAL   4           HA       VAL   4 -17.931  -4.001  -4.001
   23    HB   VAL   4           HB       VAL   4 -17.831  -4.739  -4.739
   24   1HG1  VAL   4          1HG2      VAL   4 -20.268  -2.945  -2.945
   25   2HG1  VAL   4          2HG2      VAL   4 -19.228  -3.778  -3.778
   26   3HG1  VAL   4          3HG2      VAL   4 -20.217  -4.722  -4.722
   27   1HG2  VAL   4          2HG1      VAL   4 -16.641  -2.553  -2.553
   28   2HG2  VAL   4          3HG1      VAL   4 -17.187  -2.658  -2.658
   29   3HG2  VAL   4          1HG1      VAL   4 -18.085  -1.650  -1.650
   30    H    SER   5           H        SER   5 -21.301  -3.431  -3.431
   31    HA   SER   5           HA       SER   5 -21.284  -0.543  -0.543
   32   1HB   SER   5          1HB       SER   5 -23.357  -2.654  -2.654
   33   2HB   SER   5          2HB       SER   5 -23.677  -0.966  -0.966
   34    HG   SER   5           HG       SER   5 -22.919  -1.864  -1.864
   35    H    SER   6           H        SER   6 -22.016  -2.775  -2.775
   36    HA   SER   6           HA       SER   6 -20.789  -0.680  -0.680
   37   1HB   SER   6          1HB       SER   6 -22.632  -3.096  -3.096
   38   2HB   SER   6          2HB       SER   6 -21.821  -2.250  -2.250
   39    HG   SER   6           HG       SER   6 -22.882  -0.302  -0.302
   40    H    ALA   7           H        ALA   7 -19.251  -2.230  -2.230
   41    HA   ALA   7           HA       ALA   7 -17.621  -3.816  -3.816
   42   1HB   ALA   7          2HB       ALA   7 -17.932  -4.830  -4.830
   43   2HB   ALA   7          3HB       ALA   7 -17.204  -3.395  -3.395
   44   3HB   ALA   7          1HB       ALA   7 -16.218  -4.461  -4.461
   45    H    LEU   8           H        LEU   8 -15.399  -3.379  -3.379
   46    HA   LEU   8           HA       LEU   8 -14.254  -1.745  -1.745
   47   1HB   LEU   8          1HB       LEU   8 -13.103  -2.104  -2.104
   48   2HB   LEU   8          2HB       LEU   8 -14.135  -1.001  -1.001
   49    HG   LEU   8           HG       LEU   8 -11.608  -0.334  -0.334
   50   1HD1  LEU   8          2HD1      LEU   8 -13.218   1.109   1.109
   51   2HD1  LEU   8          3HD1      LEU   8 -13.940   1.688   1.688
   52   3HD1  LEU   8          1HD1      LEU   8 -12.250   2.081   2.081
   53   1HD2  LEU   8          2HD2      LEU   8 -13.105   0.573   0.573
   54   2HD2  LEU   8          3HD2      LEU   8 -11.739  -0.567  -0.567
   55   3HD2  LEU   8          1HD2      LEU   8 -11.482   1.135   1.135
   56    H    ASP   9           H        ASP   9 -17.067  -1.193  -1.193
   57    HA   ASP   9           HA       ASP   9 -16.927   1.801   1.801
   58   1HB   ASP   9          1HB       ASP   9 -18.908   1.070   1.070
   59   2HB   ASP   9          2HB       ASP   9 -19.281  -0.196  -0.196
   60    H    LYS  10           H        LYS  10 -17.705  -1.210  -1.210
   61    HA   LYS  10           HA       LYS  10 -18.185  -0.054  -0.054
   62   1HB   LYS  10          1HB       LYS  10 -18.395  -2.570  -2.570
   63   2HB   LYS  10          2HB       LYS  10 -16.718  -2.732  -2.732
   64   1HG   LYS  10          1HG       LYS  10 -17.402  -2.031  -2.031
   65   2HG   LYS  10          2HG       LYS  10 -19.076  -1.918  -1.918
   66   1HD   LYS  10          1HD       LYS  10 -17.366  -4.290  -4.290
   67   2HD   LYS  10          2HD       LYS  10 -19.118  -4.072  -4.072
   68   1HE   LYS  10          1HE       LYS  10 -19.428  -4.355  -4.355
   69   2HE   LYS  10          2HE       LYS  10 -17.686  -4.597  -4.597
   70   1HZ   LYS  10          3HZ       LYS  10 -18.905  -6.261  -6.261
   71   2HZ   LYS  10          1HZ       LYS  10 -19.421  -6.566  -6.566
   72   3HZ   LYS  10          2HZ       LYS  10 -17.785  -6.649  -6.649
   73    H    LEU  11           H        LEU  11 -15.232  -1.053  -1.053
   74    HA   LEU  11           HA       LEU  11 -13.607  -0.604  -0.604
   75   1HB   LEU  11          1HB       LEU  11 -12.915  -1.203  -1.203
   76   2HB   LEU  11          2HB       LEU  11 -11.652  -0.877  -0.877
   77    HG   LEU  11           HG       LEU  11 -11.973  -3.317  -3.317
   78   1HD1  LEU  11          2HD1      LEU  11 -11.096  -2.512  -2.512
   79   2HD1  LEU  11          3HD1      LEU  11 -12.751  -2.441  -2.441
   80   3HD1  LEU  11          1HD1      LEU  11 -12.037  -4.004  -4.004
   81   1HD2  LEU  11          2HD2      LEU  11 -14.814  -2.910  -2.910
   82   2HD2  LEU  11          3HD2      LEU  11 -14.405  -3.444  -3.444
   83   3HD2  LEU  11          1HD2      LEU  11 -14.034  -4.493  -4.493
   84    H    LYS  12           H        LYS  12 -14.929   1.599   1.599
   85    HA   LYS  12           HA       LYS  12 -12.841   3.583   3.583
   86   1HB   LYS  12          1HB       LYS  12 -15.401   3.730   3.730
   87   2HB   LYS  12          2HB       LYS  12 -15.701   4.324   4.324
   88   1HG   LYS  12          1HG       LYS  12 -15.250   6.422   6.422
   89   2HG   LYS  12          2HG       LYS  12 -13.552   5.966   5.966
   90   1HD   LYS  12          1HD       LYS  12 -14.965   5.052   5.052
   91   2HD   LYS  12          2HD       LYS  12 -14.912   6.812   6.812
   92   1HE   LYS  12          1HE       LYS  12 -12.665   6.889   6.889
   93   2HE   LYS  12          2HE       LYS  12 -12.274   5.729   5.729
   94   1HZ   LYS  12          2HZ       LYS  12 -13.576   4.614   4.614
   95   2HZ   LYS  12          3HZ       LYS  12 -12.007   5.182   5.182
   96   3HZ   LYS  12          1HZ       LYS  12 -12.325   4.000   4.000
   97    H    GLU  13           H        GLU  13 -12.529   5.501   5.501
   98    HA   GLU  13           HA       GLU  13 -11.643   6.139   6.139
   99   1HB   GLU  13          1HB       GLU  13 -14.132   5.348   5.348
  100   2HB   GLU  13          2HB       GLU  13 -13.326   3.977   3.977
  101   1HG   GLU  13          1HG       GLU  13 -13.473   5.393   5.393
  102   2HG   GLU  13          2HG       GLU  13 -11.877   5.835   5.835
  103    H    PHE  14           H        PHE  14 -12.262   2.740   2.740
  104    HA   PHE  14           HA       PHE  14  -9.787   2.022   2.022
  105   1HB   PHE  14          1HB       PHE  14 -11.470   0.304   0.304
  106   2HB   PHE  14          2HB       PHE  14 -11.711   0.451   0.451
  107    HD1  PHE  14           HD1      PHE  14  -9.972  -0.504  -0.504
  108    HD2  PHE  14           HD2      PHE  14  -9.815  -1.248  -1.248
  109    HE1  PHE  14           HE1      PHE  14  -8.461  -2.404  -2.404
  110    HE2  PHE  14           HE2      PHE  14  -8.319  -3.165  -3.165
  111    HZ   PHE  14           HZ       PHE  14  -7.628  -3.740  -3.740
  112    H    GLY  15           H        GLY  15 -10.127   2.976   2.976
  113   1HA   GLY  15          1HA       GLY  15  -7.552   1.494   1.494
  114   2HA   GLY  15          2HA       GLY  15  -8.636   2.316   2.316
  115    H    ASN  16           H        ASN  16  -8.970   4.694   4.694
  116    HA   ASN  16           HA       ASN  16  -6.692   6.263   6.263
  117   1HB   ASN  16          1HB       ASN  16  -8.639   7.556   7.556
  118   2HB   ASN  16          2HB       ASN  16  -9.008   6.696   6.696
  119   1HD2  ASN  16          1HD2      ASN  16  -7.799   9.551   9.551
  120   2HD2  ASN  16          2HD2      ASN  16  -9.205   8.397   8.397
  121    H    THR  17           H        THR  17  -7.426   4.912   4.912
  122    HA   THR  17           HA       THR  17  -4.993   5.734   5.734
  123    HB   THR  17           HB       THR  17  -6.644   3.140   3.140
  124    HG1  THR  17           HG1      THR  17  -7.332   4.177   4.177
  125   1HG2  THR  17          3HG2      THR  17  -4.456   4.102   4.102
  126   2HG2  THR  17          1HG2      THR  17  -5.607   2.774   2.774
  127   3HG2  THR  17          2HG2      THR  17  -4.382   2.607   2.607
  128    H    LEU  18           H        LEU  18  -5.597   3.057   3.057
  129    HA   LEU  18           HA       LEU  18  -3.040   1.746   1.746
  130   1HB   LEU  18          1HB       LEU  18  -5.079   1.091   1.091
  131   2HB   LEU  18          2HB       LEU  18  -4.493   2.255   2.255
  132    HG   LEU  18           HG       LEU  18  -2.535   0.971   0.971
  133   1HD1  LEU  18          3HD2      LEU  18  -1.958   0.307   0.307
  134   2HD1  LEU  18          1HD2      LEU  18  -3.158  -0.985  -0.985
  135   3HD1  LEU  18          2HD2      LEU  18  -1.732  -1.011  -1.011
  136   1HD2  LEU  18          2HD1      LEU  18  -4.736   0.091   0.091
  137   2HD2  LEU  18          3HD1      LEU  18  -3.519  -1.197  -1.197
  138   3HD2  LEU  18          1HD1      LEU  18  -4.838  -1.047  -1.047
  139    H    GLU  19           H        GLU  19  -3.910   4.562   4.562
  140    HA   GLU  19           HA       GLU  19  -1.294   4.657   4.657
  141   1HB   GLU  19          1HB       GLU  19  -3.453   5.682   5.682
  142   2HB   GLU  19          2HB       GLU  19  -3.438   6.842   6.842
  143   1HG   GLU  19          1HG       GLU  19  -2.616   8.125   8.125
  144   2HG   GLU  19          2HG       GLU  19  -1.135   7.713   7.713
  145    H    ASP  20           H        ASP  20  -2.633   6.397   6.397
  146    HA   ASP  20           HA       ASP  20  -0.389   8.254   8.254
  147   1HB   ASP  20          1HB       ASP  20  -2.720   8.552   8.552
  148   2HB   ASP  20          2HB       ASP  20  -2.223   7.384   7.384
  149    H    LYS  21           H        LYS  21  -1.033   5.264   5.264
  150    HA   LYS  21           HA       LYS  21   1.615   5.524   5.524
  151   1HB   LYS  21          1HB       LYS  21   0.830   3.835   3.835
  152   2HB   LYS  21          2HB       LYS  21  -0.719   4.418   4.418
  153   1HG   LYS  21          1HG       LYS  21   0.015   2.440   2.440
  154   2HG   LYS  21          2HG       LYS  21   0.620   1.769   1.769
  155   1HD   LYS  21          1HD       LYS  21  -1.920   2.526   2.526
  156   2HD   LYS  21          2HD       LYS  21  -2.209   2.317   2.317
  157   1HE   LYS  21          1HE       LYS  21  -1.263  -0.002  -0.002
  158   2HE   LYS  21          2HE       LYS  21  -0.786   0.168   0.168
  159   1HZ   LYS  21          1HZ       LYS  21  -3.547   0.833   0.833
  160   2HZ   LYS  21          2HZ       LYS  21  -3.192  -0.733  -0.733
  161   3HZ   LYS  21          3HZ       LYS  21  -2.842  -0.251  -0.251
  162    H    ALA  22           H        ALA  22   0.465   4.223   4.223
  163    HA   ALA  22           HA       ALA  22   2.795   2.377   2.377
  164   1HB   ALA  22          2HB       ALA  22   0.612   2.041   2.041
  165   2HB   ALA  22          3HB       ALA  22   0.812   3.602   3.602
  166   3HB   ALA  22          1HB       ALA  22   1.933   2.260   2.260
  167    H    ARG  23           H        ARG  23   2.214   5.755   5.755
  168    HA   ARG  23           HA       ARG  23   4.423   6.200   6.200
  169   1HB   ARG  23          1HB       ARG  23   2.492   7.838   7.838
  170   2HB   ARG  23          2HB       ARG  23   4.055   8.620   8.620
  171   1HG   ARG  23          1HG       ARG  23   3.317   9.403   9.403
  172   2HG   ARG  23          2HG       ARG  23   3.530   7.764   7.764
  173   1HD   ARG  23          1HD       ARG  23   1.215   7.255   7.255
  174   2HD   ARG  23          2HD       ARG  23   0.944   8.416   8.416
  175    HE   ARG  23           HE       ARG  23   1.737   9.495   9.495
  176   1HH1  ARG  23          2HH2      ARG  23  -0.753   9.148   9.148
  177   2HH1  ARG  23          1HH2      ARG  23  -1.800  10.447  10.447
  178   1HH2  ARG  23          1HH1      ARG  23   0.551  10.886  10.886
  179   2HH2  ARG  23          2HH1      ARG  23  -1.100  11.391  11.391
  180    H    GLU  24           H        GLU  24   4.135   6.205   6.205
  181    HA   GLU  24           HA       GLU  24   6.917   7.282   7.282
  182   1HB   GLU  24          1HB       GLU  24   5.152   5.892   5.892
  183   2HB   GLU  24          2HB       GLU  24   6.469   6.999   6.999
  184   1HG   GLU  24          1HG       GLU  24   5.159   8.942   8.942
  185   2HG   GLU  24          2HG       GLU  24   4.056   8.067   8.067
  186    H    LEU  25           H        LEU  25   5.262   4.186   4.186
  187    HA   LEU  25           HA       LEU  25   7.694   2.652   2.652
  188   1HB   LEU  25          1HB       LEU  25   5.737   1.420   1.420
  189   2HB   LEU  25          2HB       LEU  25   4.899   2.049   2.049
  190    HG   LEU  25           HG       LEU  25   7.107   0.284   0.284
  191   1HD1  LEU  25          2HD1      LEU  25   6.773  -0.766  -0.766
  192   2HD1  LEU  25          3HD1      LEU  25   5.033  -0.958  -0.958
  193   3HD1  LEU  25          1HD1      LEU  25   6.229  -1.850  -1.850
  194   1HD2  LEU  25          2HD2      LEU  25   4.028   0.104   0.104
  195   2HD2  LEU  25          3HD2      LEU  25   5.183   0.801   0.801
  196   3HD2  LEU  25          1HD2      LEU  25   5.209  -0.936  -0.936
  197    H    ILE  26           H        ILE  26   6.456   3.975   3.975
  198    HA   ILE  26           HA       ILE  26   8.066   2.274   2.274
  199    HB   ILE  26           HB       ILE  26   6.572   4.901   4.901
  200   1HG1  ILE  26          1HG1      ILE  26   6.508   2.658   2.658
  201   2HG1  ILE  26          2HG1      ILE  26   5.706   2.415   2.415
  202   1HG2  ILE  26          2HG2      ILE  26   8.723   5.498   5.498
  203   2HG2  ILE  26          3HG2      ILE  26   8.594   4.017   4.017
  204   3HG2  ILE  26          1HG2      ILE  26   7.411   5.333   5.333
  205   1HD1  ILE  26          2HD1      ILE  26   4.275   4.466   4.466
  206   2HD1  ILE  26          3HD1      ILE  26   4.985   4.691   4.691
  207   3HD1  ILE  26          1HD1      ILE  26   4.044   3.233   3.233
  208    H    SER  27           H        SER  27   8.784   5.115   5.115
  209    HA   SER  27           HA       SER  27  11.470   5.492   5.492
  210   1HB   SER  27          1HB       SER  27  10.967   7.355   7.355
  211   2HB   SER  27          2HB       SER  27  10.060   6.455   6.455
  212    HG   SER  27           HG       SER  27  12.680   7.195   7.195
  213    H    ARG  28           H        ARG  28  10.156   3.484   3.484
  214    HA   ARG  28           HA       ARG  28  12.686   2.176   2.176
  215   1HB   ARG  28          1HB       ARG  28  10.095   2.047   2.047
  216   2HB   ARG  28          2HB       ARG  28  10.062   0.601   0.601
  217   1HG   ARG  28          1HG       ARG  28  12.237  -0.163  -0.163
  218   2HG   ARG  28          2HG       ARG  28  11.929   1.198   1.198
  219   1HD   ARG  28          1HD       ARG  28   9.393  -0.036  -0.036
  220   2HD   ARG  28          2HD       ARG  28  10.498  -1.429  -1.429
  221    HE   ARG  28           HE       ARG  28  11.303   0.549   0.549
  222   1HH1  ARG  28          2HH2      ARG  28   9.421  -2.311  -2.311
  223   2HH1  ARG  28          1HH2      ARG  28   9.441  -2.779  -2.779
  224   1HH2  ARG  28          1HH1      ARG  28  11.279  -0.020  -0.020
  225   2HH2  ARG  28          2HH1      ARG  28  10.449  -1.538  -1.538
  226    H    ILE  29           H        ILE  29  10.555   1.881   1.881
  227    HA   ILE  29           HA       ILE  29  11.413  -0.891  -0.891
  228    HB   ILE  29           HB       ILE  29   9.602   1.193   1.193
  229   1HG1  ILE  29          1HG1      ILE  29   8.680  -1.492  -1.492
  230   2HG1  ILE  29          2HG1      ILE  29   9.309  -1.538  -1.538
  231   1HG2  ILE  29          2HG2      ILE  29  11.050   0.758   0.758
  232   2HG2  ILE  29          3HG2      ILE  29  10.798  -0.995  -0.995
  233   3HG2  ILE  29          1HG2      ILE  29   9.456   0.092   0.092
  234   1HD1  ILE  29          2HD1      ILE  29   7.839   0.384   0.384
  235   2HD1  ILE  29          3HD1      ILE  29   7.090   0.395   0.395
  236   3HD1  ILE  29          1HD1      ILE  29   6.927  -1.030  -1.030
  237    H    LYS  30           H        LYS  30  12.196   2.339   2.339
  238    HA   LYS  30           HA       LYS  30  14.015   1.500   1.500
  239   1HB   LYS  30          1HB       LYS  30  13.747   4.025   4.025
  240   2HB   LYS  30          2HB       LYS  30  15.161   3.869   3.869
  241   1HG   LYS  30          1HG       LYS  30  13.615   5.029   5.029
  242   2HG   LYS  30          2HG       LYS  30  13.440   3.364   3.364
  243   1HD   LYS  30          1HD       LYS  30  11.418   3.282   3.282
  244   2HD   LYS  30          2HD       LYS  30  11.577   5.049   5.049
  245   1HE   LYS  30          1HE       LYS  30  10.425   5.214   5.214
  246   2HE   LYS  30          2HE       LYS  30  11.728   4.344   4.344
  247   1HZ   LYS  30          1HZ       LYS  30   9.835   2.765   2.765
  248   2HZ   LYS  30          2HZ       LYS  30   9.321   3.373   3.373
  249   3HZ   LYS  30          3HZ       LYS  30  10.661   2.360   2.360
  250    H    GLN  31           H        GLN  31  14.556   2.107   2.107
  251    HA   GLN  31           HA       GLN  31  17.471   1.372   1.372
  252   1HB   GLN  31          1HB       GLN  31  16.088   3.227   3.227
  253   2HB   GLN  31          2HB       GLN  31  16.361   1.921   1.921
  254   1HG   GLN  31          1HG       GLN  31  18.926   2.069   2.069
  255   2HG   GLN  31          2HG       GLN  31  18.504   3.572   3.572
  256   1HE2  GLN  31          2HE2      GLN  31  17.934   4.912   4.912
  257   2HE2  GLN  31          1HE2      GLN  31  16.751   4.508   4.508
  258    H    SER  32           H        SER  32  15.874  -0.709  -0.709
  259    HA   SER  32           HA       SER  32  16.997  -2.655  -2.655
  260   1HB   SER  32          1HB       SER  32  14.492  -1.737  -1.737
  261   2HB   SER  32          2HB       SER  32  13.996  -3.062  -3.062
  262    HG   SER  32           HG       SER  32  15.984  -3.409  -3.409
  263    H    GLU  33           H        GLU  33  17.513  -2.123  -2.123
  264    HA   GLU  33           HA       GLU  33  16.246  -4.560  -4.560
  265   1HB   GLU  33          1HB       GLU  33  16.344  -1.684  -1.684
  266   2HB   GLU  33          2HB       GLU  33  17.122  -2.632  -2.632
  267   1HG   GLU  33          1HG       GLU  33  14.863  -4.115  -4.115
  268   2HG   GLU  33          2HG       GLU  33  14.172  -2.757  -2.757
  269    H    LEU  34           H        LEU  34  18.729  -4.285  -4.285
  270    HA   LEU  34           HA       LEU  34  20.981  -3.928  -3.928
  271   1HB   LEU  34          1HB       LEU  34  22.379  -5.005  -5.005
  272   2HB   LEU  34          2HB       LEU  34  21.383  -3.697  -3.697
  273    HG   LEU  34           HG       LEU  34  20.318  -6.537  -6.537
  274   1HD1  LEU  34          2HD1      LEU  34  22.724  -6.707  -6.707
  275   2HD1  LEU  34          3HD1      LEU  34  22.513  -5.341  -5.341
  276   3HD1  LEU  34          1HD1      LEU  34  21.641  -6.869  -6.869
  277   1HD2  LEU  34          2HD2      LEU  34  20.163  -4.031  -4.031
  278   2HD2  LEU  34          3HD2      LEU  34  18.857  -4.702  -4.702
  279   3HD2  LEU  34          1HD2      LEU  34  19.443  -5.619  -5.619
  280    H    SER  35           H        SER  35  19.171  -6.731  -6.731
  281    HA   SER  35           HA       SER  35  19.373  -9.007  -9.007
  282   1HB   SER  35          1HB       SER  35  19.297  -7.330  -7.330
  283   2HB   SER  35          2HB       SER  35  19.930  -8.943  -8.943
  284    HG   SER  35           HG       SER  35  17.961  -9.642  -9.642
  285    H    ALA  36           H        ALA  36  21.728  -7.775  -7.775
  286    HA   ALA  36           HA       ALA  36  24.039  -8.330  -8.330
  287   1HB   ALA  36          2HB       ALA  36  23.101 -10.674 -10.674
  288   2HB   ALA  36          3HB       ALA  36  23.159 -10.840 -10.840
  289   3HB   ALA  36          1HB       ALA  36  24.666 -10.700 -10.700
  290    H    LYS  37           H        LYS  37  23.810  -6.412  -6.412
  291    HA   LYS  37           HA       LYS  37  25.300  -5.268  -5.268
  292   1HB   LYS  37          1HB       LYS  37  27.418  -6.168  -6.168
  293   2HB   LYS  37          2HB       LYS  37  26.773  -7.584  -7.584
  294   1HG   LYS  37          1HG       LYS  37  26.090  -8.307  -8.307
  295   2HG   LYS  37          2HG       LYS  37  27.374  -7.173  -7.173
  296   1HD   LYS  37          1HD       LYS  37  27.542  -9.737  -9.737
  297   2HD   LYS  37          2HD       LYS  37  28.259  -9.458  -9.458
  298   1HE   LYS  37          1HE       LYS  37  30.025  -8.133  -8.133
  299   2HE   LYS  37          2HE       LYS  37  29.054  -7.432  -7.432
  300   1HZ   LYS  37          3HZ       LYS  37  29.108 -10.068 -10.068
  301   2HZ   LYS  37          1HZ       LYS  37  30.644  -9.824  -9.824
  302   3HZ   LYS  37          2HZ       LYS  37  30.106  -8.877  -8.877
  303    H    MET  38           H        MET  38  22.996  -7.353  -7.353
  304    HA   MET  38           HA       MET  38  23.657  -7.782  -7.782
  305   1HB   MET  38          1HB       MET  38  21.726  -8.798  -8.798
  306   2HB   MET  38          2HB       MET  38  20.752  -7.811  -7.811
  307   1HG   MET  38          1HG       MET  38  22.634  -9.608  -9.608
  308   2HG   MET  38          2HG       MET  38  21.474 -10.463 -10.463
  309   1HE   MET  38          2HE       MET  38  21.210 -11.378 -11.378
  310   2HE   MET  38          1HE       MET  38  19.437 -11.399 -11.399
  311   3HE   MET  38          3HE       MET  38  20.122 -10.744 -10.744

  Start of MODEL    6
    1   1H    THR   1          2H        THR   1 -28.670  -5.612  -5.612
    2   2H    THR   1          3H        THR   1 -27.537  -4.376  -4.376
    3   3H    THR   1          1H        THR   1 -27.619  -5.568  -5.568
    4    HA   THR   1           HA       THR   1 -26.812  -7.223  -7.223
    5    HB   THR   1           HB       THR   1 -25.310  -4.953  -4.953
    6    HG1  THR   1           HG1      THR   1 -23.568  -6.330  -6.330
    7   1HG2  THR   1          3HG2      THR   1 -24.580  -5.589  -5.589
    8   2HG2  THR   1          1HG2      THR   1 -23.600  -4.614  -4.614
    9   3HG2  THR   1          2HG2      THR   1 -25.172  -4.019  -4.019
   10    HA   PRO   2           HA       PRO   2 -27.491  -7.488  -7.488
   11   1HB   PRO   2          1HB       PRO   2 -24.508  -7.913  -7.913
   12   2HB   PRO   2          2HB       PRO   2 -25.949  -8.956  -8.956
   13   1HG   PRO   2          1HG       PRO   2 -24.484  -9.638  -9.638
   14   2HG   PRO   2          2HG       PRO   2 -26.347  -9.843  -9.843
   15   1HD   PRO   2          1HD       PRO   2 -24.502  -7.695  -7.695
   16   2HD   PRO   2          2HD       PRO   2 -25.936  -8.569  -8.569
   17    H    ASP   3           H        ASP   3 -25.434  -7.116  -7.116
   18    HA   ASP   3           HA       ASP   3 -25.442  -4.110  -4.110
   19   1HB   ASP   3          1HB       ASP   3 -25.923  -5.573  -5.573
   20   2HB   ASP   3          2HB       ASP   3 -24.247  -6.073  -6.073
   21    H    VAL   4           H        VAL   4 -24.153  -4.672  -4.672
   22    HA   VAL   4           HA       VAL   4 -21.183  -4.534  -4.534
   23    HB   VAL   4           HB       VAL   4 -22.670  -6.167  -6.167
   24   1HG1  VAL   4          1HG2      VAL   4 -19.722  -5.394  -5.394
   25   2HG1  VAL   4          2HG2      VAL   4 -20.624  -6.669  -6.669
   26   3HG1  VAL   4          3HG2      VAL   4 -21.112  -4.994  -4.994
   27   1HG2  VAL   4          2HG1      VAL   4 -21.764  -7.315  -7.315
   28   2HG2  VAL   4          3HG1      VAL   4 -21.052  -7.971  -7.971
   29   3HG2  VAL   4          1HG1      VAL   4 -20.107  -6.854  -6.854
   30    H    SER   5           H        SER   5 -23.162  -2.447  -2.447
   31    HA   SER   5           HA       SER   5 -22.085  -1.090  -1.090
   32   1HB   SER   5          1HB       SER   5 -24.238  -0.482  -0.482
   33   2HB   SER   5          2HB       SER   5 -24.795  -1.242  -1.242
   34    HG   SER   5           HG       SER   5 -25.172   1.081   1.081
   35    H    SER   6           H        SER   6 -23.093  -0.316  -0.316
   36    HA   SER   6           HA       SER   6 -20.640   1.519   1.519
   37   1HB   SER   6          1HB       SER   6 -23.109   2.441   2.441
   38   2HB   SER   6          2HB       SER   6 -22.955   1.703   1.703
   39    HG   SER   6           HG       SER   6 -22.027   4.029   4.029
   40    H    ALA   7           H        ALA   7 -20.245  -1.122  -1.122
   41    HA   ALA   7           HA       ALA   7 -20.241  -1.863  -1.863
   42   1HB   ALA   7          2HB       ALA   7 -20.914  -3.573  -3.573
   43   2HB   ALA   7          3HB       ALA   7 -19.328  -3.423  -3.423
   44   3HB   ALA   7          1HB       ALA   7 -19.450  -4.118  -4.118
   45    H    LEU   8           H        LEU   8 -18.105  -0.702  -0.702
   46    HA   LEU   8           HA       LEU   8 -15.643  -1.175  -1.175
   47   1HB   LEU   8          1HB       LEU   8 -15.434  -0.868  -0.868
   48   2HB   LEU   8          2HB       LEU   8 -16.253   0.680   0.680
   49    HG   LEU   8           HG       LEU   8 -13.629   0.548   0.548
   50   1HD1  LEU   8          2HD1      LEU   8 -14.966   2.667   2.667
   51   2HD1  LEU   8          3HD1      LEU   8 -14.925   2.562   2.562
   52   3HD1  LEU   8          1HD1      LEU   8 -13.421   2.814   2.814
   53   1HD2  LEU   8          2HD2      LEU   8 -13.841   0.372   0.372
   54   2HD2  LEU   8          3HD2      LEU   8 -13.050  -0.798  -0.798
   55   3HD2  LEU   8          1HD2      LEU   8 -12.365   0.820   0.820
   56    H    ASP   9           H        ASP   9 -18.047   1.316   1.316
   57    HA   ASP   9           HA       ASP   9 -16.865   3.335   3.335
   58   1HB   ASP   9          1HB       ASP   9 -19.200   3.452   3.452
   59   2HB   ASP   9          2HB       ASP   9 -19.814   2.388   2.388
   60    H    LYS  10           H        LYS  10 -18.457   0.370   0.370
   61    HA   LYS  10           HA       LYS  10 -18.561   0.921   0.921
   62   1HB   LYS  10          1HB       LYS  10 -18.196  -1.719  -1.719
   63   2HB   LYS  10          2HB       LYS  10 -18.330  -1.711  -1.711
   64   1HG   LYS  10          1HG       LYS  10 -20.479  -0.255  -0.255
   65   2HG   LYS  10          2HG       LYS  10 -20.507  -2.015  -2.015
   66   1HD   LYS  10          1HD       LYS  10 -20.319  -0.391  -0.391
   67   2HD   LYS  10          2HD       LYS  10 -21.862  -0.421  -0.421
   68   1HE   LYS  10          1HE       LYS  10 -22.267  -2.678  -2.678
   69   2HE   LYS  10          2HE       LYS  10 -20.577  -3.150  -3.150
   70   1HZ   LYS  10          1HZ       LYS  10 -20.249  -1.751  -1.751
   71   2HZ   LYS  10          2HZ       LYS  10 -21.878  -2.099  -2.099
   72   3HZ   LYS  10          3HZ       LYS  10 -20.766  -3.350  -3.350
   73    H    LEU  11           H        LEU  11 -15.950  -0.329  -0.329
   74    HA   LEU  11           HA       LEU  11 -14.084  -0.297  -0.297
   75   1HB   LEU  11          1HB       LEU  11 -13.802  -0.875  -0.875
   76   2HB   LEU  11          2HB       LEU  11 -12.356  -0.460  -0.460
   77    HG   LEU  11           HG       LEU  11 -12.126  -2.565  -2.565
   78   1HD1  LEU  11          2HD1      LEU  11 -13.697  -2.022  -2.022
   79   2HD1  LEU  11          3HD1      LEU  11 -15.090  -2.531  -2.531
   80   3HD1  LEU  11          1HD1      LEU  11 -13.859  -3.718  -3.718
   81   1HD2  LEU  11          2HD2      LEU  11 -14.660  -3.194  -3.194
   82   2HD2  LEU  11          3HD2      LEU  11 -12.969  -3.265  -3.265
   83   3HD2  LEU  11          1HD2      LEU  11 -13.539  -4.419  -4.419
   84    H    LYS  12           H        LYS  12 -13.304   1.197   1.197
   85    HA   LYS  12           HA       LYS  12 -12.101   3.223   3.223
   86   1HB   LYS  12          1HB       LYS  12 -14.446   4.099   4.099
   87   2HB   LYS  12          2HB       LYS  12 -13.984   4.251   4.251
   88   1HG   LYS  12          1HG       LYS  12 -13.175   6.365   6.365
   89   2HG   LYS  12          2HG       LYS  12 -11.917   5.647   5.647
   90   1HD   LYS  12          1HD       LYS  12 -13.262   7.446   7.446
   91   2HD   LYS  12          2HD       LYS  12 -13.353   5.900   5.900
   92   1HE   LYS  12          1HE       LYS  12 -15.493   5.563   5.563
   93   2HE   LYS  12          2HE       LYS  12 -15.541   7.324   7.324
   94   1HZ   LYS  12          3HZ       LYS  12 -15.079   6.356   6.356
   95   2HZ   LYS  12          1HZ       LYS  12 -16.244   5.333   5.333
   96   3HZ   LYS  12          2HZ       LYS  12 -16.513   6.992   6.992
   97    H    GLU  13           H        GLU  13 -12.618   4.147   4.147
   98    HA   GLU  13           HA       GLU  13 -10.012   4.665   4.665
   99   1HB   GLU  13          1HB       GLU  13 -12.513   3.990   3.990
  100   2HB   GLU  13          2HB       GLU  13 -11.349   2.939   2.939
  101   1HG   GLU  13          1HG       GLU  13 -11.105   6.032   6.032
  102   2HG   GLU  13          2HG       GLU  13 -11.754   5.153   5.153
  103    H    PHE  14           H        PHE  14 -11.297   1.481   1.481
  104    HA   PHE  14           HA       PHE  14  -8.896   0.341   0.341
  105   1HB   PHE  14          1HB       PHE  14 -10.819  -1.035  -1.035
  106   2HB   PHE  14          2HB       PHE  14 -11.380  -0.838  -0.838
  107    HD1  PHE  14           HD1      PHE  14  -8.997  -2.690  -2.690
  108    HD2  PHE  14           HD2      PHE  14 -10.624  -2.377  -2.377
  109    HE1  PHE  14           HE1      PHE  14  -8.174  -4.951  -4.951
  110    HE2  PHE  14           HE2      PHE  14  -9.767  -4.629  -4.629
  111    HZ   PHE  14           HZ       PHE  14  -8.557  -5.928  -5.928
  112    H    GLY  15           H        GLY  15  -9.479   1.035   1.035
  113   1HA   GLY  15          1HA       GLY  15  -7.369  -0.990  -0.990
  114   2HA   GLY  15          2HA       GLY  15  -8.330   0.042   0.042
  115    H    ASN  16           H        ASN  16  -7.991   2.488   2.488
  116    HA   ASN  16           HA       ASN  16  -5.410   3.440   3.440
  117   1HB   ASN  16          1HB       ASN  16  -7.159   5.071   5.071
  118   2HB   ASN  16          2HB       ASN  16  -7.448   4.461   4.461
  119   1HD2  ASN  16          1HD2      ASN  16  -5.281   6.889   6.889
  120   2HD2  ASN  16          2HD2      ASN  16  -6.576   5.604   5.604
  121    H    THR  17           H        THR  17  -6.316   1.867   1.867
  122    HA   THR  17           HA       THR  17  -4.108   2.403   2.403
  123    HB   THR  17           HB       THR  17  -5.434  -0.319  -0.319
  124    HG1  THR  17           HG1      THR  17  -6.517   0.144   0.144
  125   1HG2  THR  17          3HG2      THR  17  -3.704   0.351   0.351
  126   2HG2  THR  17          1HG2      THR  17  -4.681  -1.122  -1.122
  127   3HG2  THR  17          2HG2      THR  17  -3.283  -0.843  -0.843
  128    H    LEU  18           H        LEU  18  -4.129   0.087   0.087
  129    HA   LEU  18           HA       LEU  18  -1.410  -0.818  -0.818
  130   1HB   LEU  18          1HB       LEU  18  -2.612  -0.232  -0.232
  131   2HB   LEU  18          2HB       LEU  18  -1.490  -1.506  -1.506
  132    HG   LEU  18           HG       LEU  18  -4.472  -1.449  -1.449
  133   1HD1  LEU  18          2HD1      LEU  18  -3.144  -2.913  -2.913
  134   2HD1  LEU  18          3HD1      LEU  18  -2.401  -3.747  -3.747
  135   3HD1  LEU  18          1HD1      LEU  18  -4.150  -3.890  -3.890
  136   1HD2  LEU  18          2HD2      LEU  18  -2.928  -2.829  -2.829
  137   2HD2  LEU  18          3HD2      LEU  18  -4.140  -1.533  -1.533
  138   3HD2  LEU  18          1HD2      LEU  18  -4.638  -3.132  -3.132
  139    H    GLU  19           H        GLU  19  -2.603   2.052   2.052
  140    HA   GLU  19           HA       GLU  19   0.253   2.714   2.714
  141   1HB   GLU  19          1HB       GLU  19  -1.935   2.846   2.846
  142   2HB   GLU  19          2HB       GLU  19  -2.325   4.301   4.301
  143   1HG   GLU  19          1HG       GLU  19   0.431   4.556   4.556
  144   2HG   GLU  19          2HG       GLU  19  -0.598   4.019   4.019
  145    H    ASP  20           H        ASP  20  -0.685   2.866   2.866
  146    HA   ASP  20           HA       ASP  20   0.511   5.648   5.648
  147   1HB   ASP  20          1HB       ASP  20  -2.147   5.112   5.112
  148   2HB   ASP  20          2HB       ASP  20  -1.318   4.708   4.708
  149    H    LYS  21           H        LYS  21  -0.153   2.583   2.583
  150    HA   LYS  21           HA       LYS  21   2.225   2.915   2.915
  151   1HB   LYS  21          1HB       LYS  21   1.717   0.567   0.567
  152   2HB   LYS  21          2HB       LYS  21   0.261   1.552   1.552
  153   1HG   LYS  21          1HG       LYS  21  -0.437  -0.514  -0.514
  154   2HG   LYS  21          2HG       LYS  21  -0.268   0.602   0.602
  155   1HD   LYS  21          1HD       LYS  21   1.160  -0.894  -0.894
  156   2HD   LYS  21          2HD       LYS  21   2.300  -0.705  -0.705
  157   1HE   LYS  21          1HE       LYS  21  -0.165  -2.403  -2.403
  158   2HE   LYS  21          2HE       LYS  21   1.013  -3.117  -3.117
  159   1HZ   LYS  21          2HZ       LYS  21   1.678  -1.987  -1.987
  160   2HZ   LYS  21          3HZ       LYS  21   1.524  -3.621  -3.621
  161   3HZ   LYS  21          1HZ       LYS  21   2.760  -2.715  -2.715
  162    H    ALA  22           H        ALA  22   1.617   1.690   1.690
  163    HA   ALA  22           HA       ALA  22   4.317   0.392   0.392
  164   1HB   ALA  22          2HB       ALA  22   2.374  -0.362  -0.362
  165   2HB   ALA  22          3HB       ALA  22   2.291   1.239   1.239
  166   3HB   ALA  22          1HB       ALA  22   3.707   0.192   0.192
  167    H    ARG  23           H        ARG  23   2.923   3.528   3.528
  168    HA   ARG  23           HA       ARG  23   5.213   4.742   4.742
  169   1HB   ARG  23          1HB       ARG  23   2.739   5.602   5.602
  170   2HB   ARG  23          2HB       ARG  23   4.025   6.572   6.572
  171   1HG   ARG  23          1HG       ARG  23   3.452   7.915   7.915
  172   2HG   ARG  23          2HG       ARG  23   4.729   6.945   6.945
  173   1HD   ARG  23          1HD       ARG  23   2.899   5.300   5.300
  174   2HD   ARG  23          2HD       ARG  23   1.683   6.457   6.457
  175    HE   ARG  23           HE       ARG  23   3.013   8.201   8.201
  176   1HH1  ARG  23          2HH2      ARG  23   2.525   4.874   4.874
  177   2HH1  ARG  23          1HH2      ARG  23   2.639   5.252   5.252
  178   1HH2  ARG  23          1HH1      ARG  23   3.124   8.528   8.528
  179   2HH2  ARG  23          2HH1      ARG  23   2.961   7.235   7.235
  180    H    GLU  24           H        GLU  24   4.519   4.219   4.219
  181    HA   GLU  24           HA       GLU  24   6.976   5.748   5.748
  182   1HB   GLU  24          1HB       GLU  24   5.244   3.910   3.910
  183   2HB   GLU  24          2HB       GLU  24   6.271   5.218   5.218
  184   1HG   GLU  24          1HG       GLU  24   4.697   6.920   6.920
  185   2HG   GLU  24          2HG       GLU  24   3.930   5.928   5.928
  186    H    LEU  25           H        LEU  25   5.932   2.389   2.389
  187    HA   LEU  25           HA       LEU  25   8.493   1.294   1.294
  188   1HB   LEU  25          1HB       LEU  25   6.849  -0.370  -0.370
  189   2HB   LEU  25          2HB       LEU  25   6.029   0.243   0.243
  190    HG   LEU  25           HG       LEU  25   8.714  -1.171  -1.171
  191   1HD1  LEU  25          2HD1      LEU  25   7.363  -2.651  -2.651
  192   2HD1  LEU  25          3HD1      LEU  25   5.996  -2.609  -2.609
  193   3HD1  LEU  25          1HD1      LEU  25   7.533  -3.376  -3.376
  194   1HD2  LEU  25          2HD2      LEU  25   6.175  -0.998  -0.998
  195   2HD2  LEU  25          3HD2      LEU  25   7.731  -0.177  -0.177
  196   3HD2  LEU  25          1HD2      LEU  25   7.641  -1.937  -1.937
  197    H    ILE  26           H        ILE  26   7.483   2.587   2.587
  198    HA   ILE  26           HA       ILE  26   9.707   1.450   1.450
  199    HB   ILE  26           HB       ILE  26   7.699   3.659   3.659
  200   1HG1  ILE  26          1HG1      ILE  26   8.745   1.975   1.975
  201   2HG1  ILE  26          2HG1      ILE  26   7.814   1.172   1.172
  202   1HG2  ILE  26          2HG2      ILE  26   9.783   5.017   5.017
  203   2HG2  ILE  26          3HG2      ILE  26  10.321   3.773   3.773
  204   3HG2  ILE  26          1HG2      ILE  26   8.863   4.742   4.742
  205   1HD1  ILE  26          2HD1      ILE  26   5.864   2.737   2.737
  206   2HD1  ILE  26          3HD1      ILE  26   6.730   3.514   3.514
  207   3HD1  ILE  26          1HD1      ILE  26   6.277   1.805   1.805
  208    H    SER  27           H        SER  27   9.425   4.188   4.188
  209    HA   SER  27           HA       SER  27  12.144   5.194   5.194
  210   1HB   SER  27          1HB       SER  27  11.508   6.830   6.830
  211   2HB   SER  27          2HB       SER  27   9.977   6.005   6.005
  212    HG   SER  27           HG       SER  27  10.691   5.912   5.912
  213    H    ARG  28           H        ARG  28  10.827   2.919   2.919
  214    HA   ARG  28           HA       ARG  28  13.403   2.209   2.209
  215   1HB   ARG  28          1HB       ARG  28  11.320   1.497   1.497
  216   2HB   ARG  28          2HB       ARG  28  10.723   0.725   0.725
  217   1HG   ARG  28          1HG       ARG  28  13.117  -0.741  -0.741
  218   2HG   ARG  28          2HG       ARG  28  12.587  -0.331  -0.331
  219   1HD   ARG  28          1HD       ARG  28  10.182  -1.196  -1.196
  220   2HD   ARG  28          2HD       ARG  28  11.170  -2.011  -2.011
  221    HE   ARG  28           HE       ARG  28  11.117  -2.591  -2.591
  222   1HH1  ARG  28          2HH2      ARG  28  12.932  -3.033  -3.033
  223   2HH1  ARG  28          1HH2      ARG  28  13.822  -4.500  -4.500
  224   1HH2  ARG  28          1HH1      ARG  28  12.119  -4.183  -4.183
  225   2HH2  ARG  28          2HH1      ARG  28  13.384  -5.131  -5.131
  226    H    ILE  29           H        ILE  29  12.009   1.479   1.479
  227    HA   ILE  29           HA       ILE  29  13.637  -1.035  -1.035
  228    HB   ILE  29           HB       ILE  29  11.530   0.389   0.389
  229   1HG1  ILE  29          1HG1      ILE  29  10.277  -1.302  -1.302
  230   2HG1  ILE  29          2HG1      ILE  29  11.057  -2.337  -2.337
  231   1HG2  ILE  29          2HG2      ILE  29  13.318  -0.003  -0.003
  232   2HG2  ILE  29          3HG2      ILE  29  13.418  -1.718  -1.718
  233   3HG2  ILE  29          1HG2      ILE  29  11.952  -1.051  -1.051
  234   1HD1  ILE  29          2HD1      ILE  29  12.819  -3.039  -3.039
  235   2HD1  ILE  29          3HD1      ILE  29  11.996  -2.087  -2.087
  236   3HD1  ILE  29          1HD1      ILE  29  11.166  -3.457  -3.457
  237    H    LYS  30           H        LYS  30  13.711   2.286   2.286
  238    HA   LYS  30           HA       LYS  30  15.847   1.924   1.924
  239   1HB   LYS  30          1HB       LYS  30  15.184   4.093   4.093
  240   2HB   LYS  30          2HB       LYS  30  14.278   4.119   4.119
  241   1HG   LYS  30          1HG       LYS  30  17.328   4.487   4.487
  242   2HG   LYS  30          2HG       LYS  30  16.353   5.821   5.821
  243   1HD   LYS  30          1HD       LYS  30  14.966   5.381   5.381
  244   2HD   LYS  30          2HD       LYS  30  16.447   4.537   4.537
  245   1HE   LYS  30          1HE       LYS  30  17.527   6.539   6.539
  246   2HE   LYS  30          2HE       LYS  30  17.279   7.037   7.037
  247   1HZ   LYS  30          2HZ       LYS  30  14.979   7.171   7.171
  248   2HZ   LYS  30          3HZ       LYS  30  16.183   8.339   8.339
  249   3HZ   LYS  30          1HZ       LYS  30  15.363   8.135   8.135
  250    H    GLN  31           H        GLN  31  15.797   2.297   2.297
  251    HA   GLN  31           HA       GLN  31  18.766   2.875   2.875
  252   1HB   GLN  31          1HB       GLN  31  16.582   3.718   3.718
  253   2HB   GLN  31          2HB       GLN  31  17.263   2.463   2.463
  254   1HG   GLN  31          1HG       GLN  31  19.588   3.765   3.765
  255   2HG   GLN  31          2HG       GLN  31  18.626   5.079   5.079
  256   1HE2  GLN  31          2HE2      GLN  31  19.165   4.790   4.790
  257   2HE2  GLN  31          1HE2      GLN  31  20.060   3.767   3.767
  258    H    SER  32           H        SER  32  18.068   0.368   0.368
  259    HA   SER  32           HA       SER  32  20.072  -1.073  -1.073
  260   1HB   SER  32          1HB       SER  32  17.906  -1.526  -1.526
  261   2HB   SER  32          2HB       SER  32  17.246  -2.344  -2.344
  262    HG   SER  32           HG       SER  32  18.150  -3.917  -3.917
  263    H    GLU  33           H        GLU  33  19.588  -0.090  -0.090
  264    HA   GLU  33           HA       GLU  33  20.204  -2.753  -2.753
  265   1HB   GLU  33          1HB       GLU  33  18.003  -0.812  -0.812
  266   2HB   GLU  33          2HB       GLU  33  19.004  -0.913  -0.913
  267   1HG   GLU  33          1HG       GLU  33  18.377  -3.657  -3.657
  268   2HG   GLU  33          2HG       GLU  33  16.899  -2.739  -2.739
  269    H    LEU  34           H        LEU  34  21.869  -0.654  -0.654
  270    HA   LEU  34           HA       LEU  34  22.751   1.186   1.186
  271   1HB   LEU  34          1HB       LEU  34  24.816   1.482   1.482
  272   2HB   LEU  34          2HB       LEU  34  23.355   1.496   1.496
  273    HG   LEU  34           HG       LEU  34  24.997  -1.049  -1.049
  274   1HD1  LEU  34          2HD1      LEU  34  26.532   0.729   0.729
  275   2HD1  LEU  34          3HD1      LEU  34  25.387   1.081   1.081
  276   3HD1  LEU  34          1HD1      LEU  34  26.202  -0.499  -0.499
  277   1HD2  LEU  34          2HD2      LEU  34  23.023  -0.192  -0.192
  278   2HD2  LEU  34          3HD2      LEU  34  22.774  -1.457  -1.457
  279   3HD2  LEU  34          1HD2      LEU  34  23.997  -1.688  -1.688
  280    H    SER  35           H        SER  35  23.853  -1.994  -1.994
  281    HA   SER  35           HA       SER  35  24.673  -2.397  -2.397
  282   1HB   SER  35          1HB       SER  35  27.025  -3.341  -3.341
  283   2HB   SER  35          2HB       SER  35  26.878  -1.605  -1.605
  284    HG   SER  35           HG       SER  35  27.925  -1.940  -1.940
  285    H    ALA  36           H        ALA  36  22.735  -3.210  -3.210
  286    HA   ALA  36           HA       ALA  36  23.476  -5.445  -5.445
  287   1HB   ALA  36          2HB       ALA  36  21.317  -4.155  -4.155
  288   2HB   ALA  36          3HB       ALA  36  20.752  -4.812  -4.812
  289   3HB   ALA  36          1HB       ALA  36  20.959  -5.887  -5.887
  290    H    LYS  37           H        LYS  37  21.607  -5.691  -5.691
  291    HA   LYS  37           HA       LYS  37  23.278  -8.152  -8.152
  292   1HB   LYS  37          1HB       LYS  37  20.689  -8.427  -8.427
  293   2HB   LYS  37          2HB       LYS  37  20.325  -8.352  -8.352
  294   1HG   LYS  37          1HG       LYS  37  22.184 -10.224 -10.224
  295   2HG   LYS  37          2HG       LYS  37  22.150 -10.384 -10.384
  296   1HD   LYS  37          1HD       LYS  37  20.721 -12.094 -12.094
  297   2HD   LYS  37          2HD       LYS  37  19.637 -10.911 -10.911
  298   1HE   LYS  37          1HE       LYS  37  20.386 -10.306 -10.306
  299   2HE   LYS  37          2HE       LYS  37  19.366 -11.736 -11.736
  300   1HZ   LYS  37          1HZ       LYS  37  18.664  -9.302  -9.302
  301   2HZ   LYS  37          2HZ       LYS  37  18.327  -9.368  -9.368
  302   3HZ   LYS  37          3HZ       LYS  37  17.674 -10.518 -10.518
  303    H    MET  38           H        MET  38  23.296  -5.433  -5.433
  304    HA   MET  38           HA       MET  38  21.852  -5.288  -5.288
  305   1HB   MET  38          1HB       MET  38  23.244  -3.451  -3.451
  306   2HB   MET  38          2HB       MET  38  24.179  -3.452  -3.452
  307   1HG   MET  38          1HG       MET  38  21.256  -3.191  -3.191
  308   2HG   MET  38          2HG       MET  38  21.874  -1.919  -1.919
  309   1HE   MET  38          1HE       MET  38  23.221  -0.315  -0.315
  310   2HE   MET  38          3HE       MET  38  24.184   0.165   0.165
  311   3HE   MET  38          2HE       MET  38  22.416   0.442   0.442

  Start of MODEL    7
    1   1H    THR   1          1H        THR   1 -23.210 -12.339 -12.339
    2   2H    THR   1          2H        THR   1 -22.680 -11.415 -11.415
    3   3H    THR   1          3H        THR   1 -21.634 -12.505 -12.505
    4    HA   THR   1           HA       THR   1 -21.459 -11.279 -11.279
    5    HB   THR   1           HB       THR   1 -21.524  -8.994  -8.994
    6    HG1  THR   1           HG1      THR   1 -19.706  -9.852  -9.852
    7   1HG2  THR   1          3HG2      THR   1 -19.226 -10.025 -10.025
    8   2HG2  THR   1          1HG2      THR   1 -19.152  -8.586  -8.586
    9   3HG2  THR   1          2HG2      THR   1 -20.242  -8.603  -8.603
   10    HA   PRO   2           HA       PRO   2 -24.858  -9.071  -9.071
   11   1HB   PRO   2          1HB       PRO   2 -22.692  -7.093  -7.093
   12   2HB   PRO   2          2HB       PRO   2 -24.007  -7.931  -7.931
   13   1HG   PRO   2          1HG       PRO   2 -21.330  -8.794  -8.794
   14   2HG   PRO   2          2HG       PRO   2 -22.851  -9.909  -9.909
   15   1HD   PRO   2          1HD       PRO   2 -20.997  -8.871  -8.871
   16   2HD   PRO   2          2HD       PRO   2 -21.470 -10.613 -10.613
   17    H    ASP   3           H        ASP   3 -25.054  -6.448  -6.448
   18    HA   ASP   3           HA       ASP   3 -25.871  -5.229  -5.229
   19   1HB   ASP   3          1HB       ASP   3 -26.895  -4.216  -4.216
   20   2HB   ASP   3          2HB       ASP   3 -25.401  -4.219  -4.219
   21    H    VAL   4           H        VAL   4 -24.502  -5.275  -5.275
   22    HA   VAL   4           HA       VAL   4 -21.613  -4.735  -4.735
   23    HB   VAL   4           HB       VAL   4 -23.435  -5.226  -5.226
   24   1HG1  VAL   4          1HG2      VAL   4 -20.440  -4.516  -4.516
   25   2HG1  VAL   4          2HG2      VAL   4 -21.511  -5.198  -5.198
   26   3HG1  VAL   4          3HG2      VAL   4 -21.826  -3.589  -3.589
   27   1HG2  VAL   4          2HG1      VAL   4 -22.565  -7.240  -7.240
   28   2HG2  VAL   4          3HG1      VAL   4 -22.013  -7.226  -7.226
   29   3HG2  VAL   4          1HG1      VAL   4 -20.893  -6.759  -6.759
   30    H    SER   5           H        SER   5 -24.326  -2.728  -2.728
   31    HA   SER   5           HA       SER   5 -22.842  -0.478  -0.478
   32   1HB   SER   5          1HB       SER   5 -25.517  -0.824  -0.824
   33   2HB   SER   5          2HB       SER   5 -24.878   0.812   0.812
   34    HG   SER   5           HG       SER   5 -24.997  -0.767  -0.767
   35    H    SER   6           H        SER   6 -23.703  -1.257  -1.257
   36    HA   SER   6           HA       SER   6 -21.592   0.799   0.799
   37   1HB   SER   6          1HB       SER   6 -23.437  -0.334  -0.334
   38   2HB   SER   6          2HB       SER   6 -22.841   1.308   1.308
   39    HG   SER   6           HG       SER   6 -24.432   1.750   1.750
   40    H    ALA   7           H        ALA   7 -20.991  -1.779  -1.779
   41    HA   ALA   7           HA       ALA   7 -20.068  -3.243  -3.243
   42   1HB   ALA   7          2HB       ALA   7 -20.993  -4.537  -4.537
   43   2HB   ALA   7          3HB       ALA   7 -19.724  -3.876  -3.876
   44   3HB   ALA   7          1HB       ALA   7 -19.297  -4.985  -4.985
   45    H    LEU   8           H        LEU   8 -18.847  -1.077  -1.077
   46    HA   LEU   8           HA       LEU   8 -15.986  -1.465  -1.465
   47   1HB   LEU   8          1HB       LEU   8 -17.244  -0.151  -0.151
   48   2HB   LEU   8          2HB       LEU   8 -16.923   1.214   1.214
   49    HG   LEU   8           HG       LEU   8 -15.085  -0.327  -0.327
   50   1HD1  LEU   8          2HD1      LEU   8 -15.569   2.127   2.127
   51   2HD1  LEU   8          3HD1      LEU   8 -14.860   2.442   2.442
   52   3HD1  LEU   8          1HD1      LEU   8 -13.840   1.845   1.845
   53   1HD2  LEU   8          2HD2      LEU   8 -14.096   0.337   0.337
   54   2HD2  LEU   8          3HD2      LEU   8 -14.172  -1.273  -1.273
   55   3HD2  LEU   8          1HD2      LEU   8 -13.037  -0.070  -0.070
   56    H    ASP   9           H        ASP   9 -18.713   0.394   0.394
   57    HA   ASP   9           HA       ASP   9 -17.387   2.316   2.316
   58   1HB   ASP   9          1HB       ASP   9 -19.883   2.331   2.331
   59   2HB   ASP   9          2HB       ASP   9 -20.026   0.776   0.776
   60    H    LYS  10           H        LYS  10 -17.962  -1.056  -1.056
   61    HA   LYS  10           HA       LYS  10 -17.621  -0.902  -0.902
   62   1HB   LYS  10          1HB       LYS  10 -17.321  -3.294  -3.294
   63   2HB   LYS  10          2HB       LYS  10 -18.377  -2.989  -2.989
   64   1HG   LYS  10          1HG       LYS  10 -16.430  -3.198  -3.198
   65   2HG   LYS  10          2HG       LYS  10 -15.300  -3.309  -3.309
   66   1HD   LYS  10          1HD       LYS  10 -15.816  -5.562  -5.562
   67   2HD   LYS  10          2HD       LYS  10 -17.534  -5.353  -5.353
   68   1HE   LYS  10          1HE       LYS  10 -15.644  -4.837  -4.837
   69   2HE   LYS  10          2HE       LYS  10 -15.680  -6.517  -6.517
   70   1HZ   LYS  10          1HZ       LYS  10 -18.157  -4.962  -4.962
   71   2HZ   LYS  10          2HZ       LYS  10 -17.394  -5.910  -5.910
   72   3HZ   LYS  10          3HZ       LYS  10 -18.009  -6.620  -6.620
   73    H    LEU  11           H        LEU  11 -15.250  -1.175  -1.175
   74    HA   LEU  11           HA       LEU  11 -12.991  -0.996  -0.996
   75   1HB   LEU  11          1HB       LEU  11 -13.085  -0.634  -0.634
   76   2HB   LEU  11          2HB       LEU  11 -11.606  -0.552  -0.552
   77    HG   LEU  11           HG       LEU  11 -13.433  -3.016  -3.016
   78   1HD1  LEU  11          2HD1      LEU  11 -12.178  -2.437  -2.437
   79   2HD1  LEU  11          3HD1      LEU  11 -10.638  -2.433  -2.433
   80   3HD1  LEU  11          1HD1      LEU  11 -11.564  -3.942  -3.942
   81   1HD2  LEU  11          2HD2      LEU  11 -10.712  -2.748  -2.748
   82   2HD2  LEU  11          3HD2      LEU  11 -12.291  -3.123  -3.123
   83   3HD2  LEU  11          1HD2      LEU  11 -11.536  -4.293  -4.293
   84    H    LYS  12           H        LYS  12 -13.033   1.222   1.222
   85    HA   LYS  12           HA       LYS  12 -12.553   3.552   3.552
   86   1HB   LYS  12          1HB       LYS  12 -14.974   3.562   3.562
   87   2HB   LYS  12          2HB       LYS  12 -14.468   3.437   3.437
   88   1HG   LYS  12          1HG       LYS  12 -14.774   5.778   5.778
   89   2HG   LYS  12          2HG       LYS  12 -13.059   5.681   5.681
   90   1HD   LYS  12          1HD       LYS  12 -13.799   5.674   5.674
   91   2HD   LYS  12          2HD       LYS  12 -15.453   5.972   5.972
   92   1HE   LYS  12          1HE       LYS  12 -14.267   7.933   7.933
   93   2HE   LYS  12          2HE       LYS  12 -13.006   7.825   7.825
   94   1HZ   LYS  12          1HZ       LYS  12 -15.905   8.188   8.188
   95   2HZ   LYS  12          2HZ       LYS  12 -14.735   9.395   9.395
   96   3HZ   LYS  12          3HZ       LYS  12 -14.673   8.131   8.131
   97    H    GLU  13           H        GLU  13 -13.002   3.631   3.631
   98    HA   GLU  13           HA       GLU  13 -10.638   4.828   4.828
   99   1HB   GLU  13          1HB       GLU  13 -12.216   4.181   4.181
  100   2HB   GLU  13          2HB       GLU  13 -12.263   2.514   2.514
  101   1HG   GLU  13          1HG       GLU  13 -11.148   2.610   2.610
  102   2HG   GLU  13          2HG       GLU  13  -9.954   2.117   2.117
  103    H    PHE  14           H        PHE  14 -10.719   1.312   1.312
  104    HA   PHE  14           HA       PHE  14  -8.051   0.763   0.763
  105   1HB   PHE  14          1HB       PHE  14  -9.032  -1.314  -1.314
  106   2HB   PHE  14          2HB       PHE  14 -10.240  -0.792  -0.792
  107    HD1  PHE  14           HD1      PHE  14  -6.596  -1.755  -1.755
  108    HD2  PHE  14           HD2      PHE  14 -10.149  -1.482  -1.482
  109    HE1  PHE  14           HE1      PHE  14  -5.549  -3.178  -3.178
  110    HE2  PHE  14           HE2      PHE  14  -9.091  -2.902  -2.902
  111    HZ   PHE  14           HZ       PHE  14  -6.805  -3.785  -3.785
  112    H    GLY  15           H        GLY  15  -9.252   1.864   1.864
  113   1HA   GLY  15          1HA       GLY  15  -6.716   1.235   1.235
  114   2HA   GLY  15          2HA       GLY  15  -7.994   2.336   2.336
  115    H    ASN  16           H        ASN  16  -8.206   4.250   4.250
  116    HA   ASN  16           HA       ASN  16  -5.987   6.013   6.013
  117   1HB   ASN  16          1HB       ASN  16  -8.106   6.894   6.894
  118   2HB   ASN  16          2HB       ASN  16  -8.173   5.777   5.777
  119   1HD2  ASN  16          1HD2      ASN  16  -7.114   8.544   8.544
  120   2HD2  ASN  16          2HD2      ASN  16  -8.473   7.359   7.359
  121    H    THR  17           H        THR  17  -6.381   3.459   3.459
  122    HA   THR  17           HA       THR  17  -4.391   4.570   4.570
  123    HB   THR  17           HB       THR  17  -5.585   1.729   1.729
  124    HG1  THR  17           HG1      THR  17  -6.844   2.413   2.413
  125   1HG2  THR  17          3HG2      THR  17  -4.101   2.897   2.897
  126   2HG2  THR  17          1HG2      THR  17  -4.975   1.346   1.346
  127   3HG2  THR  17          2HG2      THR  17  -3.515   1.553   1.553
  128    H    LEU  18           H        LEU  18  -4.268   2.410   2.410
  129    HA   LEU  18           HA       LEU  18  -1.351   1.859   1.859
  130   1HB   LEU  18          1HB       LEU  18  -1.504   0.320   0.320
  131   2HB   LEU  18          2HB       LEU  18  -3.217   0.442   0.442
  132    HG   LEU  18           HG       LEU  18  -2.578   2.469   2.469
  133   1HD1  LEU  18          2HD1      LEU  18  -0.547   1.074   1.074
  134   2HD1  LEU  18          3HD1      LEU  18  -1.565  -0.371  -0.371
  135   3HD1  LEU  18          1HD1      LEU  18  -1.709   1.000   1.000
  136   1HD2  LEU  18          2HD2      LEU  18  -4.193  -0.173  -0.173
  137   2HD2  LEU  18          3HD2      LEU  18  -4.831   1.447   1.447
  138   3HD2  LEU  18          1HD2      LEU  18  -4.201   1.112   1.112
  139    H    GLU  19           H        GLU  19  -3.214   4.291   4.291
  140    HA   GLU  19           HA       GLU  19  -0.686   5.375   5.375
  141   1HB   GLU  19          1HB       GLU  19  -3.181   5.374   5.374
  142   2HB   GLU  19          2HB       GLU  19  -3.452   6.729   6.729
  143   1HG   GLU  19          1HG       GLU  19  -2.639   8.158   8.158
  144   2HG   GLU  19          2HG       GLU  19  -1.060   7.422   7.422
  145    H    ASP  20           H        ASP  20  -1.061   5.139   5.139
  146    HA   ASP  20           HA       ASP  20   0.132   7.886   7.886
  147   1HB   ASP  20          1HB       ASP  20  -2.493   7.407   7.407
  148   2HB   ASP  20          2HB       ASP  20  -1.546   6.937   6.937
  149    H    LYS  21           H        LYS  21  -0.550   4.723   4.723
  150    HA   LYS  21           HA       LYS  21   1.836   4.642   4.642
  151   1HB   LYS  21          1HB       LYS  21   0.286   2.376   2.376
  152   2HB   LYS  21          2HB       LYS  21   1.579   2.063   2.063
  153   1HG   LYS  21          1HG       LYS  21   0.277   2.820   2.820
  154   2HG   LYS  21          2HG       LYS  21  -0.730   3.878   3.878
  155   1HD   LYS  21          1HD       LYS  21  -2.199   2.118   2.118
  156   2HD   LYS  21          2HD       LYS  21  -1.611   1.569   1.569
  157   1HE   LYS  21          1HE       LYS  21   0.407   0.591   0.591
  158   2HE   LYS  21          2HE       LYS  21  -1.040   0.401   0.401
  159   1HZ   LYS  21          1HZ       LYS  21  -1.116  -0.430  -0.430
  160   2HZ   LYS  21          2HZ       LYS  21  -0.427  -1.430  -1.430
  161   3HZ   LYS  21          3HZ       LYS  21  -2.040  -0.972  -0.972
  162    H    ALA  22           H        ALA  22   1.248   3.682   3.682
  163    HA   ALA  22           HA       ALA  22   3.814   2.418   2.418
  164   1HB   ALA  22          2HB       ALA  22   1.844   2.272   2.272
  165   2HB   ALA  22          3HB       ALA  22   2.026   3.990   3.990
  166   3HB   ALA  22          1HB       ALA  22   3.283   2.816   2.816
  167    H    ARG  23           H        ARG  23   2.997   5.781   5.781
  168    HA   ARG  23           HA       ARG  23   5.320   6.699   6.699
  169   1HB   ARG  23          1HB       ARG  23   3.078   7.896   7.896
  170   2HB   ARG  23          2HB       ARG  23   4.555   8.825   8.825
  171   1HG   ARG  23          1HG       ARG  23   4.029   9.851   9.851
  172   2HG   ARG  23          2HG       ARG  23   4.381   8.327   8.327
  173   1HD   ARG  23          1HD       ARG  23   2.115   7.770   7.770
  174   2HD   ARG  23          2HD       ARG  23   1.630   8.542   8.542
  175    HE   ARG  23           HE       ARG  23   2.183  10.009  10.009
  176   1HH1  ARG  23          2HH2      ARG  23   1.078  10.181  10.181
  177   2HH1  ARG  23          1HH2      ARG  23   0.345  11.854  11.854
  178   1HH2  ARG  23          1HH1      ARG  23   1.366  11.809  11.809
  179   2HH2  ARG  23          2HH1      ARG  23   0.501  12.747  12.747
  180    H    GLU  24           H        GLU  24   4.651   6.758   6.758
  181    HA   GLU  24           HA       GLU  24   7.338   7.806   7.806
  182   1HB   GLU  24          1HB       GLU  24   5.519   6.161   6.161
  183   2HB   GLU  24          2HB       GLU  24   6.702   7.358   7.358
  184   1HG   GLU  24          1HG       GLU  24   5.278   9.210   9.210
  185   2HG   GLU  24          2HG       GLU  24   4.349   8.303   8.303
  186    H    LEU  25           H        LEU  25   5.926   4.625   4.625
  187    HA   LEU  25           HA       LEU  25   8.264   3.279   3.279
  188   1HB   LEU  25          1HB       LEU  25   6.643   1.701   1.701
  189   2HB   LEU  25          2HB       LEU  25   5.556   2.558   2.558
  190    HG   LEU  25           HG       LEU  25   7.668   0.787   0.787
  191   1HD1  LEU  25          2HD1      LEU  25   6.819  -0.593  -0.593
  192   2HD1  LEU  25          3HD1      LEU  25   5.138  -0.323  -0.323
  193   3HD1  LEU  25          1HD1      LEU  25   6.260  -1.246  -1.246
  194   1HD2  LEU  25          2HD2      LEU  25   4.691   1.367   1.367
  195   2HD2  LEU  25          3HD2      LEU  25   6.114   2.009   2.009
  196   3HD2  LEU  25          1HD2      LEU  25   5.752   0.281   0.281
  197    H    ILE  26           H        ILE  26   7.360   4.218   4.218
  198    HA   ILE  26           HA       ILE  26   9.366   2.624   2.624
  199    HB   ILE  26           HB       ILE  26   7.723   5.046   5.046
  200   1HG1  ILE  26          1HG1      ILE  26   8.697   3.142   3.142
  201   2HG1  ILE  26          2HG1      ILE  26   7.590   2.533   2.533
  202   1HG2  ILE  26          2HG2      ILE  26   9.965   6.154   6.154
  203   2HG2  ILE  26          3HG2      ILE  26  10.419   4.814   4.814
  204   3HG2  ILE  26          1HG2      ILE  26   9.091   5.920   5.920
  205   1HD1  ILE  26          2HD1      ILE  26   5.886   4.313   4.313
  206   2HD1  ILE  26          3HD1      ILE  26   6.933   4.899   4.899
  207   3HD1  ILE  26          1HD1      ILE  26   6.269   3.257   3.257
  208    H    SER  27           H        SER  27   9.587   5.612   5.612
  209    HA   SER  27           HA       SER  27  12.473   5.956   5.956
  210   1HB   SER  27          1HB       SER  27  11.811   7.931   7.931
  211   2HB   SER  27          2HB       SER  27  10.447   7.214   7.214
  212    HG   SER  27           HG       SER  27  11.678   6.858   6.858
  213    H    ARG  28           H        ARG  28  10.617   4.256   4.256
  214    HA   ARG  28           HA       ARG  28  12.972   3.179   3.179
  215   1HB   ARG  28          1HB       ARG  28  10.677   3.152   3.152
  216   2HB   ARG  28          2HB       ARG  28  10.060   2.170   2.170
  217   1HG   ARG  28          1HG       ARG  28  12.000   0.417   0.417
  218   2HG   ARG  28          2HG       ARG  28  11.793   1.353   1.353
  219   1HD   ARG  28          1HD       ARG  28   9.248   0.902   0.902
  220   2HD   ARG  28          2HD       ARG  28   9.596  -0.171  -0.171
  221    HE   ARG  28           HE       ARG  28  10.009  -0.794  -0.794
  222   1HH1  ARG  28          2HH2      ARG  28  11.559  -1.304  -1.304
  223   2HH1  ARG  28          1HH2      ARG  28  12.384  -2.849  -2.849
  224   1HH2  ARG  28          2HH1      ARG  28  12.043  -3.491  -3.491
  225   2HH2  ARG  28          1HH1      ARG  28  10.929  -2.474  -2.474
  226    H    ILE  29           H        ILE  29  11.643   2.517   2.517
  227    HA   ILE  29           HA       ILE  29  12.562  -0.363  -0.363
  228    HB   ILE  29           HB       ILE  29  10.862   1.313   1.313
  229   1HG1  ILE  29          1HG1      ILE  29   9.260  -0.033  -0.033
  230   2HG1  ILE  29          2HG1      ILE  29   9.875  -1.293  -1.293
  231   1HG2  ILE  29          2HG2      ILE  29  12.582   0.454   0.454
  232   2HG2  ILE  29          3HG2      ILE  29  12.324  -1.211  -1.211
  233   3HG2  ILE  29          1HG2      ILE  29  11.041  -0.320  -0.320
  234   1HD1  ILE  29          2HD1      ILE  29  11.383  -2.184  -2.184
  235   2HD1  ILE  29          3HD1      ILE  29  10.706  -0.990  -0.990
  236   3HD1  ILE  29          1HD1      ILE  29   9.658  -2.231  -2.231
  237    H    LYS  30           H        LYS  30  13.452   2.718   2.718
  238    HA   LYS  30           HA       LYS  30  15.645   1.901   1.901
  239   1HB   LYS  30          1HB       LYS  30  15.080   4.321   4.321
  240   2HB   LYS  30          2HB       LYS  30  16.744   4.126   4.126
  241   1HG   LYS  30          1HG       LYS  30  15.350   5.584   5.584
  242   2HG   LYS  30          2HG       LYS  30  16.089   4.209   4.209
  243   1HD   LYS  30          1HD       LYS  30  13.814   3.009   3.009
  244   2HD   LYS  30          2HD       LYS  30  13.158   4.499   4.499
  245   1HE   LYS  30          1HE       LYS  30  14.696   4.744   4.744
  246   2HE   LYS  30          2HE       LYS  30  13.058   4.076   4.076
  247   1HZ   LYS  30          1HZ       LYS  30  12.400   6.052   6.052
  248   2HZ   LYS  30          2HZ       LYS  30  13.893   6.719   6.719
  249   3HZ   LYS  30          3HZ       LYS  30  12.785   6.361   6.361
  250    H    GLN  31           H        GLN  31  15.456   2.148   2.148
  251    HA   GLN  31           HA       GLN  31  18.318   1.191   1.191
  252   1HB   GLN  31          1HB       GLN  31  16.696   2.930   2.930
  253   2HB   GLN  31          2HB       GLN  31  16.590   1.458   1.458
  254   1HG   GLN  31          1HG       GLN  31  19.280   1.470   1.470
  255   2HG   GLN  31          2HG       GLN  31  19.116   3.124   3.124
  256   1HE2  GLN  31          2HE2      GLN  31  17.734   2.718   2.718
  257   2HE2  GLN  31          1HE2      GLN  31  17.056   1.638   1.638
  258    H    SER  32           H        SER  32  16.774  -0.632  -0.632
  259    HA   SER  32           HA       SER  32  17.493  -2.930  -2.930
  260   1HB   SER  32          1HB       SER  32  15.154  -2.132  -2.132
  261   2HB   SER  32          2HB       SER  32  14.448  -2.823  -2.823
  262    HG   SER  32           HG       SER  32  14.507  -4.586  -4.586
  263    H    GLU  33           H        GLU  33  18.290  -2.090  -2.090
  264    HA   GLU  33           HA       GLU  33  16.946  -4.084  -4.084
  265   1HB   GLU  33          1HB       GLU  33  17.323  -1.153  -1.153
  266   2HB   GLU  33          2HB       GLU  33  18.186  -1.915  -1.915
  267   1HG   GLU  33          1HG       GLU  33  15.474  -3.092  -3.092
  268   2HG   GLU  33          2HG       GLU  33  15.320  -1.354  -1.354
  269    H    LEU  34           H        LEU  34  19.221  -4.381  -4.381
  270    HA   LEU  34           HA       LEU  34  21.748  -4.226  -4.226
  271   1HB   LEU  34          1HB       LEU  34  22.387  -6.325  -6.325
  272   2HB   LEU  34          2HB       LEU  34  21.683  -5.052  -5.052
  273    HG   LEU  34           HG       LEU  34  19.940  -7.355  -7.355
  274   1HD1  LEU  34          2HD1      LEU  34  21.948  -8.387  -8.387
  275   2HD1  LEU  34          3HD1      LEU  34  21.690  -7.392  -7.392
  276   3HD1  LEU  34          1HD1      LEU  34  20.493  -8.624  -8.624
  277   1HD2  LEU  34          2HD2      LEU  34  19.754  -5.526  -5.526
  278   2HD2  LEU  34          3HD2      LEU  34  18.696  -5.488  -5.488
  279   3HD2  LEU  34          1HD2      LEU  34  18.654  -6.887  -6.887
  280    H    SER  35           H        SER  35  19.122  -6.422  -6.422
  281    HA   SER  35           HA       SER  35  18.960  -8.241  -8.241
  282   1HB   SER  35          1HB       SER  35  20.653  -6.247  -6.247
  283   2HB   SER  35          2HB       SER  35  20.153  -7.774  -7.774
  284    HG   SER  35           HG       SER  35  17.936  -6.935  -6.935
  285    H    ALA  36           H        ALA  36  20.997  -8.326  -8.326
  286    HA   ALA  36           HA       ALA  36  22.524 -10.056 -10.056
  287   1HB   ALA  36          2HB       ALA  36  20.852 -11.559 -11.559
  288   2HB   ALA  36          3HB       ALA  36  21.649 -11.274 -11.274
  289   3HB   ALA  36          1HB       ALA  36  22.499 -12.157 -12.157
  290    H    LYS  37           H        LYS  37  23.673  -7.902  -7.902
  291    HA   LYS  37           HA       LYS  37  25.864  -7.142  -7.142
  292   1HB   LYS  37          1HB       LYS  37  26.166  -9.832  -9.832
  293   2HB   LYS  37          2HB       LYS  37  26.846  -9.872  -9.872
  294   1HG   LYS  37          1HG       LYS  37  28.682  -8.463  -8.463
  295   2HG   LYS  37          2HG       LYS  37  27.771  -7.595  -7.595
  296   1HD   LYS  37          1HD       LYS  37  28.500  -9.048  -9.048
  297   2HD   LYS  37          2HD       LYS  37  28.194 -10.487 -10.487
  298   1HE   LYS  37          1HE       LYS  37  30.548 -10.571 -10.571
  299   2HE   LYS  37          2HE       LYS  37  30.311  -9.516  -9.516
  300   1HZ   LYS  37          1HZ       LYS  37  30.309  -8.124  -8.124
  301   2HZ   LYS  37          2HZ       LYS  37  31.767  -8.863  -8.863
  302   3HZ   LYS  37          3HZ       LYS  37  31.078  -7.744  -7.744
  303    H    MET  38           H        MET  38  23.790  -7.192  -7.192
  304    HA   MET  38           HA       MET  38  25.255  -7.619  -7.619
  305   1HB   MET  38          1HB       MET  38  22.947  -7.983  -7.983
  306   2HB   MET  38          2HB       MET  38  22.467  -6.811  -6.811
  307   1HG   MET  38          1HG       MET  38  22.035  -5.232  -5.232
  308   2HG   MET  38          2HG       MET  38  23.698  -5.336  -5.336
  309   1HE   MET  38          1HE       MET  38  24.493  -6.132  -6.132
  310   2HE   MET  38          3HE       MET  38  23.916  -7.418  -7.418
  311   3HE   MET  38          2HE       MET  38  23.369  -5.730  -5.730

  Start of MODEL    8
    1   1H    THR   1          2H        THR   1 -24.346  -7.541  -7.541
    2   2H    THR   1          3H        THR   1 -22.776  -6.970  -6.970
    3   3H    THR   1          1H        THR   1 -23.047  -8.607  -8.607
    4    HA   THR   1           HA       THR   1 -23.856  -9.014  -9.014
    5    HB   THR   1           HB       THR   1 -21.330  -7.959  -7.959
    6    HG1  THR   1           HG1      THR   1 -21.035  -8.612  -8.612
    7   1HG2  THR   1          3HG2      THR   1 -22.610  -6.204  -6.204
    8   2HG2  THR   1          1HG2      THR   1 -20.864  -6.371  -6.371
    9   3HG2  THR   1          2HG2      THR   1 -21.893  -5.586  -5.586
   10    HA   PRO   2           HA       PRO   2 -26.868  -6.443  -6.443
   11   1HB   PRO   2          1HB       PRO   2 -25.381  -7.115  -7.115
   12   2HB   PRO   2          2HB       PRO   2 -27.205  -7.336  -7.336
   13   1HG   PRO   2          1HG       PRO   2 -25.358  -9.467  -9.467
   14   2HG   PRO   2          2HG       PRO   2 -26.769  -9.218  -9.218
   15   1HD   PRO   2          1HD       PRO   2 -23.739  -8.547  -8.547
   16   2HD   PRO   2          2HD       PRO   2 -24.674  -9.498  -9.498
   17    H    ASP   3           H        ASP   3 -27.200  -4.896  -4.896
   18    HA   ASP   3           HA       ASP   3 -26.793  -2.581  -2.581
   19   1HB   ASP   3          1HB       ASP   3 -26.334  -3.569  -3.569
   20   2HB   ASP   3          2HB       ASP   3 -24.933  -4.431  -4.431
   21    H    VAL   4           H        VAL   4 -23.391  -3.366  -3.366
   22    HA   VAL   4           HA       VAL   4 -21.533  -2.149  -2.149
   23    HB   VAL   4           HB       VAL   4 -22.555  -3.664  -3.664
   24   1HG1  VAL   4          1HG2      VAL   4 -23.112  -0.909  -0.909
   25   2HG1  VAL   4          2HG2      VAL   4 -23.099  -2.478  -2.478
   26   3HG1  VAL   4          3HG2      VAL   4 -24.324  -2.158  -2.158
   27   1HG2  VAL   4          2HG1      VAL   4 -20.133  -2.915  -2.915
   28   2HG2  VAL   4          3HG1      VAL   4 -20.795  -2.998  -2.998
   29   3HG2  VAL   4          1HG1      VAL   4 -20.588  -1.415  -1.415
   30    H    SER   5           H        SER   5 -23.636  -0.576  -0.576
   31    HA   SER   5           HA       SER   5 -23.329   1.937   1.937
   32   1HB   SER   5          1HB       SER   5 -25.758   0.718   0.718
   33   2HB   SER   5          2HB       SER   5 -25.587   2.407   2.407
   34    HG   SER   5           HG       SER   5 -25.792   1.255   1.255
   35    H    SER   6           H        SER   6 -23.561   0.609   0.609
   36    HA   SER   6           HA       SER   6 -21.718   2.902   2.902
   37   1HB   SER   6          1HB       SER   6 -22.888   3.352   3.352
   38   2HB   SER   6          2HB       SER   6 -24.204   3.149   3.149
   39    HG   SER   6           HG       SER   6 -24.826   1.418   1.418
   40    H    ALA   7           H        ALA   7 -21.089   0.342   0.342
   41    HA   ALA   7           HA       ALA   7 -20.315  -1.221  -1.221
   42   1HB   ALA   7          2HB       ALA   7 -21.009  -2.385  -2.385
   43   2HB   ALA   7          3HB       ALA   7 -19.656  -1.631  -1.631
   44   3HB   ALA   7          1HB       ALA   7 -19.339  -2.824  -2.824
   45    H    LEU   8           H        LEU   8 -18.915   1.106   1.106
   46    HA   LEU   8           HA       LEU   8 -16.125   0.719   0.719
   47   1HB   LEU   8          1HB       LEU   8 -16.915   2.106   2.106
   48   2HB   LEU   8          2HB       LEU   8 -17.429   3.351   3.351
   49    HG   LEU   8           HG       LEU   8 -15.143   3.823   3.823
   50   1HD1  LEU   8          2HD1      LEU   8 -14.279   1.465   1.465
   51   2HD1  LEU   8          3HD1      LEU   8 -14.253   1.405   1.405
   52   3HD1  LEU   8          1HD1      LEU   8 -13.177   2.520   2.520
   53   1HD2  LEU   8          2HD2      LEU   8 -15.265   3.492   3.492
   54   2HD2  LEU   8          3HD2      LEU   8 -15.757   4.922   4.922
   55   3HD2  LEU   8          1HD2      LEU   8 -14.051   4.465   4.465
   56    H    ASP   9           H        ASP   9 -18.933   2.428   2.428
   57    HA   ASP   9           HA       ASP   9 -17.614   3.711   3.711
   58   1HB   ASP   9          1HB       ASP   9 -20.021   4.210   4.210
   59   2HB   ASP   9          2HB       ASP   9 -20.495   2.593   2.593
   60    H    LYS  10           H        LYS  10 -18.876   0.485   0.485
   61    HA   LYS  10           HA       LYS  10 -18.767  -0.340  -0.340
   62   1HB   LYS  10          1HB       LYS  10 -18.341  -2.006  -2.006
   63   2HB   LYS  10          2HB       LYS  10 -18.552  -2.725  -2.725
   64   1HG   LYS  10          1HG       LYS  10 -20.861  -1.720  -1.720
   65   2HG   LYS  10          2HG       LYS  10 -20.628  -0.833  -0.833
   66   1HD   LYS  10          1HD       LYS  10 -22.070  -2.897  -2.897
   67   2HD   LYS  10          2HD       LYS  10 -20.663  -2.951  -2.951
   68   1HE   LYS  10          1HE       LYS  10 -19.379  -4.357  -4.357
   69   2HE   LYS  10          2HE       LYS  10 -20.710  -4.271  -4.271
   70   1HZ   LYS  10          2HZ       LYS  10 -22.034  -5.121  -5.121
   71   2HZ   LYS  10          3HZ       LYS  10 -20.528  -5.793  -5.793
   72   3HZ   LYS  10          1HZ       LYS  10 -21.311  -6.154  -6.154
   73    H    LEU  11           H        LEU  11 -16.303  -0.285  -0.285
   74    HA   LEU  11           HA       LEU  11 -14.263  -1.263  -1.263
   75   1HB   LEU  11          1HB       LEU  11 -14.147  -0.534  -0.534
   76   2HB   LEU  11          2HB       LEU  11 -12.666  -0.675  -0.675
   77    HG   LEU  11           HG       LEU  11 -12.744  -2.983  -2.983
   78   1HD1  LEU  11          2HD1      LEU  11 -14.867  -3.092  -3.092
   79   2HD1  LEU  11          3HD1      LEU  11 -15.837  -2.907  -2.907
   80   3HD1  LEU  11          1HD1      LEU  11 -14.835  -4.358  -4.358
   81   1HD2  LEU  11          2HD2      LEU  11 -14.553  -2.435  -2.435
   82   2HD2  LEU  11          3HD2      LEU  11 -12.774  -2.505  -2.505
   83   3HD2  LEU  11          1HD2      LEU  11 -13.708  -3.974  -3.974
   84    H    LYS  12           H        LYS  12 -13.629   1.300   1.300
   85    HA   LYS  12           HA       LYS  12 -12.519   3.367   3.367
   86   1HB   LYS  12          1HB       LYS  12 -14.811   3.848   3.848
   87   2HB   LYS  12          2HB       LYS  12 -14.198   3.339   3.339
   88   1HG   LYS  12          1HG       LYS  12 -13.883   5.684   5.684
   89   2HG   LYS  12          2HG       LYS  12 -12.296   5.202   5.202
   90   1HD   LYS  12          1HD       LYS  12 -14.051   5.681   5.681
   91   2HD   LYS  12          2HD       LYS  12 -14.272   7.015   7.015
   92   1HE   LYS  12          1HE       LYS  12 -12.206   7.902   7.902
   93   2HE   LYS  12          2HE       LYS  12 -11.395   6.388   6.388
   94   1HZ   LYS  12          3HZ       LYS  12 -12.301   5.579   5.579
   95   2HZ   LYS  12          1HZ       LYS  12 -12.458   7.216   7.216
   96   3HZ   LYS  12          2HZ       LYS  12 -10.952   6.582   6.582
   97    H    GLU  13           H        GLU  13 -12.749   2.841   2.841
   98    HA   GLU  13           HA       GLU  13 -10.117   3.168   3.168
   99   1HB   GLU  13          1HB       GLU  13 -11.918   0.814   0.814
  100   2HB   GLU  13          2HB       GLU  13 -10.551   1.409   1.409
  101   1HG   GLU  13          1HG       GLU  13 -13.259   2.813   2.813
  102   2HG   GLU  13          2HG       GLU  13 -12.579   2.311   2.311
  103    H    PHE  14           H        PHE  14 -11.151  -0.179  -0.179
  104    HA   PHE  14           HA       PHE  14  -8.761  -1.516  -1.516
  105   1HB   PHE  14          1HB       PHE  14 -10.058  -3.228  -3.228
  106   2HB   PHE  14          2HB       PHE  14 -11.329  -2.122  -2.122
  107    HD1  PHE  14           HD2      PHE  14 -10.998  -0.842  -0.842
  108    HD2  PHE  14           HD1      PHE  14  -9.068  -4.513  -4.513
  109    HE1  PHE  14           HE2      PHE  14 -10.849  -1.499  -1.499
  110    HE2  PHE  14           HE1      PHE  14  -8.928  -5.165  -5.165
  111    HZ   PHE  14           HZ       PHE  14  -9.846  -3.676  -3.676
  112    H    GLY  15           H        GLY  15  -9.824   0.489   0.489
  113   1HA   GLY  15          1HA       GLY  15  -7.593  -0.287  -0.287
  114   2HA   GLY  15          2HA       GLY  15  -8.582   1.177   1.177
  115    H    ASN  16           H        ASN  16  -8.181   2.622   2.622
  116    HA   ASN  16           HA       ASN  16  -5.654   3.896   3.896
  117   1HB   ASN  16          1HB       ASN  16  -7.388   4.969   4.969
  118   2HB   ASN  16          2HB       ASN  16  -7.576   3.595   3.595
  119   1HD2  ASN  16          1HD2      ASN  16  -5.639   5.469   5.469
  120   2HD2  ASN  16          2HD2      ASN  16  -7.271   4.700   4.700
  121    H    THR  17           H        THR  17  -6.401   0.998   0.998
  122    HA   THR  17           HA       THR  17  -4.140   1.060   1.060
  123    HB   THR  17           HB       THR  17  -5.530  -1.405  -1.405
  124    HG1  THR  17           HG1      THR  17  -6.724  -1.341  -1.341
  125   1HG2  THR  17          3HG2      THR  17  -3.949  -1.264  -1.264
  126   2HG2  THR  17          1HG2      THR  17  -4.900  -2.659  -2.659
  127   3HG2  THR  17          2HG2      THR  17  -3.447  -2.179  -2.179
  128    H    LEU  18           H        LEU  18  -4.410  -0.191  -0.191
  129    HA   LEU  18           HA       LEU  18  -1.679  -1.334  -1.334
  130   1HB   LEU  18          1HB       LEU  18  -2.730  -0.465  -0.465
  131   2HB   LEU  18          2HB       LEU  18  -2.144  -2.036  -2.036
  132    HG   LEU  18           HG       LEU  18  -4.970  -0.896  -0.896
  133   1HD1  LEU  18          2HD1      LEU  18  -4.280  -2.126  -2.126
  134   2HD1  LEU  18          3HD1      LEU  18  -3.838  -3.556  -3.556
  135   3HD1  LEU  18          1HD1      LEU  18  -5.534  -3.021  -3.021
  136   1HD2  LEU  18          2HD2      LEU  18  -3.943  -3.368  -3.368
  137   2HD2  LEU  18          3HD2      LEU  18  -4.622  -1.872  -1.872
  138   3HD2  LEU  18          1HD2      LEU  18  -5.663  -2.953  -2.953
  139    H    GLU  19           H        GLU  19  -2.992   1.802   1.802
  140    HA   GLU  19           HA       GLU  19  -0.233   2.626   2.626
  141   1HB   GLU  19          1HB       GLU  19  -2.715   2.993   2.993
  142   2HB   GLU  19          2HB       GLU  19  -2.697   4.425   4.425
  143   1HG   GLU  19          1HG       GLU  19  -0.221   4.013   4.013
  144   2HG   GLU  19          2HG       GLU  19  -1.701   4.292   4.292
  145    H    ASP  20           H        ASP  20  -1.001   2.249   2.249
  146    HA   ASP  20           HA       ASP  20   0.262   4.903   4.903
  147   1HB   ASP  20          1HB       ASP  20  -2.386   4.581   4.581
  148   2HB   ASP  20          2HB       ASP  20  -1.748   3.596   3.596
  149    H    LYS  21           H        LYS  21  -0.536   1.619   1.619
  150    HA   LYS  21           HA       LYS  21   1.778   1.406   1.406
  151   1HB   LYS  21          1HB       LYS  21   0.570  -0.488  -0.488
  152   2HB   LYS  21          2HB       LYS  21  -0.423  -0.288  -0.288
  153   1HG   LYS  21          1HG       LYS  21   2.403  -1.541  -1.541
  154   2HG   LYS  21          2HG       LYS  21   1.011  -2.510  -2.510
  155   1HD   LYS  21          1HD       LYS  21   0.747  -0.864  -0.864
  156   2HD   LYS  21          2HD       LYS  21   1.932  -2.184  -2.184
  157   1HE   LYS  21          1HE       LYS  21  -0.489  -3.170  -3.170
  158   2HE   LYS  21          2HE       LYS  21  -0.984  -2.424  -2.424
  159   1HZ   LYS  21          2HZ       LYS  21   1.310  -4.302  -4.302
  160   2HZ   LYS  21          3HZ       LYS  21  -0.271  -4.810  -4.810
  161   3HZ   LYS  21          1HZ       LYS  21   0.479  -3.783  -3.783
  162    H    ALA  22           H        ALA  22   1.252   0.964   0.964
  163    HA   ALA  22           HA       ALA  22   3.990  -0.275  -0.275
  164   1HB   ALA  22          2HB       ALA  22   2.026  -1.085  -1.085
  165   2HB   ALA  22          3HB       ALA  22   1.797   0.542   0.542
  166   3HB   ALA  22          1HB       ALA  22   3.261  -0.393  -0.393
  167    H    ARG  23           H        ARG  23   2.484   2.832   2.832
  168    HA   ARG  23           HA       ARG  23   4.667   3.963   3.963
  169   1HB   ARG  23          1HB       ARG  23   2.791   5.266   5.266
  170   2HB   ARG  23          2HB       ARG  23   2.031   4.833   4.833
  171   1HG   ARG  23          1HG       ARG  23   4.328   6.923   6.923
  172   2HG   ARG  23          2HG       ARG  23   2.628   7.353   7.353
  173   1HD   ARG  23          1HD       ARG  23   2.546   5.851   5.851
  174   2HD   ARG  23          2HD       ARG  23   4.191   6.514   6.514
  175    HE   ARG  23           HE       ARG  23   3.150   8.824   8.824
  176   1HH1  ARG  23          2HH2      ARG  23   1.237   6.393   6.393
  177   2HH1  ARG  23          1HH2      ARG  23   0.142   7.655   7.655
  178   1HH2  ARG  23          1HH1      ARG  23   1.930  10.126  10.126
  179   2HH2  ARG  23          2HH1      ARG  23   0.514   9.685   9.685
  180    H    GLU  24           H        GLU  24   4.001   3.627   3.627
  181    HA   GLU  24           HA       GLU  24   6.332   5.413   5.413
  182   1HB   GLU  24          1HB       GLU  24   4.870   3.385   3.385
  183   2HB   GLU  24          2HB       GLU  24   5.853   4.730   4.730
  184   1HG   GLU  24          1HG       GLU  24   4.140   6.366   6.366
  185   2HG   GLU  24          2HG       GLU  24   3.324   5.329   5.329
  186    H    LEU  25           H        LEU  25   5.573   1.976   1.976
  187    HA   LEU  25           HA       LEU  25   8.296   1.080   1.080
  188   1HB   LEU  25          1HB       LEU  25   6.935  -0.785  -0.785
  189   2HB   LEU  25          2HB       LEU  25   5.795  -0.120  -0.120
  190    HG   LEU  25           HG       LEU  25   8.459  -1.237  -1.237
  191   1HD1  LEU  25          2HD1      LEU  25   7.516  -2.980  -2.980
  192   2HD1  LEU  25          3HD1      LEU  25   5.958  -2.932  -2.932
  193   3HD1  LEU  25          1HD1      LEU  25   7.424  -3.510  -3.510
  194   1HD2  LEU  25          2HD2      LEU  25   5.623  -1.090  -1.090
  195   2HD2  LEU  25          3HD2      LEU  25   7.041  -0.113  -0.113
  196   3HD2  LEU  25          1HD2      LEU  25   7.043  -1.851  -1.851
  197    H    ILE  26           H        ILE  26   6.946   2.448   2.448
  198    HA   ILE  26           HA       ILE  26   9.032   1.495   1.495
  199    HB   ILE  26           HB       ILE  26   6.900   3.609   3.609
  200   1HG1  ILE  26          1HG1      ILE  26   7.817   2.103   2.103
  201   2HG1  ILE  26          2HG1      ILE  26   7.009   1.211   1.211
  202   1HG2  ILE  26          2HG2      ILE  26   8.844   5.121   5.121
  203   2HG2  ILE  26          3HG2      ILE  26   9.332   3.984   3.984
  204   3HG2  ILE  26          1HG2      ILE  26   7.800   4.878   4.878
  205   1HD1  ILE  26          2HD1      ILE  26   4.992   2.721   2.721
  206   2HD1  ILE  26          3HD1      ILE  26   5.729   3.590   3.590
  207   3HD1  ILE  26          1HD1      ILE  26   5.323   1.873   1.873
  208    H    SER  27           H        SER  27   8.926   4.059   4.059
  209    HA   SER  27           HA       SER  27  11.536   5.193   5.193
  210   1HB   SER  27          1HB       SER  27  10.638   6.757   6.757
  211   2HB   SER  27          2HB       SER  27   9.627   5.599   5.599
  212    HG   SER  27           HG       SER  27  12.397   6.159   6.159
  213    H    ARG  28           H        ARG  28  10.531   2.732   2.732
  214    HA   ARG  28           HA       ARG  28  13.245   2.023   2.023
  215   1HB   ARG  28          1HB       ARG  28  11.346   1.141   1.141
  216   2HB   ARG  28          2HB       ARG  28  10.565   0.508   0.508
  217   1HG   ARG  28          1HG       ARG  28  13.266  -0.751  -0.751
  218   2HG   ARG  28          2HG       ARG  28  12.234  -0.918  -0.918
  219   1HD   ARG  28          1HD       ARG  28  10.762  -2.369  -2.369
  220   2HD   ARG  28          2HD       ARG  28  10.867  -1.498  -1.498
  221    HE   ARG  28           HE       ARG  28  13.421  -2.502  -2.502
  222   1HH1  ARG  28          2HH2      ARG  28  10.402  -4.120  -4.120
  223   2HH1  ARG  28          1HH2      ARG  28  11.089  -5.752  -5.752
  224   1HH2  ARG  28          1HH1      ARG  28  14.093  -4.299  -4.299
  225   2HH2  ARG  28          2HH1      ARG  28  13.095  -5.857  -5.857
  226    H    ILE  29           H        ILE  29  11.555   1.538   1.538
  227    HA   ILE  29           HA       ILE  29  13.241  -0.857  -0.857
  228    HB   ILE  29           HB       ILE  29  10.855   0.557   0.557
  229   1HG1  ILE  29          1HG1      ILE  29   9.838  -1.313  -1.313
  230   2HG1  ILE  29          2HG1      ILE  29  10.536  -2.151  -2.151
  231   1HG2  ILE  29          2HG2      ILE  29  12.418   0.504   0.504
  232   2HG2  ILE  29          3HG2      ILE  29  12.695  -1.237  -1.237
  233   3HG2  ILE  29          1HG2      ILE  29  11.100  -0.616  -0.616
  234   1HD1  ILE  29          2HD1      ILE  29  12.534  -2.876  -2.876
  235   2HD1  ILE  29          3HD1      ILE  29  11.809  -2.133  -2.133
  236   3HD1  ILE  29          1HD1      ILE  29  10.989  -3.480  -3.480
  237    H    LYS  30           H        LYS  30  13.038   2.546   2.546
  238    HA   LYS  30           HA       LYS  30  14.807   2.536   2.536
  239   1HB   LYS  30          1HB       LYS  30  14.968   4.989   4.989
  240   2HB   LYS  30          2HB       LYS  30  13.305   4.470   4.470
  241   1HG   LYS  30          1HG       LYS  30  13.822   6.037   6.037
  242   2HG   LYS  30          2HG       LYS  30  13.720   4.437   4.437
  243   1HD   LYS  30          1HD       LYS  30  15.616   5.645   5.645
  244   2HD   LYS  30          2HD       LYS  30  16.283   4.348   4.348
  245   1HE   LYS  30          1HE       LYS  30  16.485   6.004   6.004
  246   2HE   LYS  30          2HE       LYS  30  15.939   7.308   7.308
  247   1HZ   LYS  30          2HZ       LYS  30  17.827   6.391   6.391
  248   2HZ   LYS  30          3HZ       LYS  30  18.446   5.784   5.784
  249   3HZ   LYS  30          1HZ       LYS  30  18.178   7.436   7.436
  250    H    GLN  31           H        GLN  31  15.358   2.535   2.535
  251    HA   GLN  31           HA       GLN  31  18.313   3.012   3.012
  252   1HB   GLN  31          1HB       GLN  31  16.487   3.664   3.664
  253   2HB   GLN  31          2HB       GLN  31  17.260   2.239   2.239
  254   1HG   GLN  31          1HG       GLN  31  19.569   3.515   3.515
  255   2HG   GLN  31          2HG       GLN  31  18.576   4.939   4.939
  256   1HE2  GLN  31          2HE2      GLN  31  19.957   4.226   4.226
  257   2HE2  GLN  31          1HE2      GLN  31  20.699   3.816   3.816
  258    H    SER  32           H        SER  32  17.571   0.806   0.806
  259    HA   SER  32           HA       SER  32  19.346  -1.196  -1.196
  260   1HB   SER  32          1HB       SER  32  17.156  -1.465  -1.465
  261   2HB   SER  32          2HB       SER  32  16.366  -2.035  -2.035
  262    HG   SER  32           HG       SER  32  18.658  -3.185  -3.185
  263    H    GLU  33           H        GLU  33  19.191   0.194   0.194
  264    HA   GLU  33           HA       GLU  33  18.609  -2.128  -2.128
  265   1HB   GLU  33          1HB       GLU  33  17.469   0.602   0.602
  266   2HB   GLU  33          2HB       GLU  33  18.287   0.420   0.420
  267   1HG   GLU  33          1HG       GLU  33  16.725  -1.967  -1.967
  268   2HG   GLU  33          2HG       GLU  33  15.695  -0.804  -0.804
  269    H    LEU  34           H        LEU  34  21.083  -1.206  -1.206
  270    HA   LEU  34           HA       LEU  34  22.677  -0.190  -0.190
  271   1HB   LEU  34          1HB       LEU  34  24.670  -0.515  -0.515
  272   2HB   LEU  34          2HB       LEU  34  23.435   0.480   0.480
  273    HG   LEU  34           HG       LEU  34  23.337  -2.464  -2.464
  274   1HD1  LEU  34          2HD1      LEU  34  25.811  -2.010  -2.010
  275   2HD1  LEU  34          3HD1      LEU  34  25.575  -0.616  -0.616
  276   3HD1  LEU  34          1HD1      LEU  34  25.212  -2.264  -2.264
  277   1HD2  LEU  34          2HD2      LEU  34  23.068   0.124   0.124
  278   2HD2  LEU  34          3HD2      LEU  34  21.745  -0.928  -0.928
  279   3HD2  LEU  34          1HD2      LEU  34  22.892  -1.535  -1.535
  280    H    SER  35           H        SER  35  21.914  -3.228  -3.228
  281    HA   SER  35           HA       SER  35  22.745  -5.414  -5.414
  282   1HB   SER  35          1HB       SER  35  23.152  -4.682  -4.682
  283   2HB   SER  35          2HB       SER  35  22.532  -6.182  -6.182
  284    HG   SER  35           HG       SER  35  21.024  -4.573  -4.573
  285    H    ALA  36           H        ALA  36  24.574  -3.399  -3.399
  286    HA   ALA  36           HA       ALA  36  27.009  -3.830  -3.830
  287   1HB   ALA  36          2HB       ALA  36  26.470  -1.517  -1.517
  288   2HB   ALA  36          3HB       ALA  36  26.572  -2.077  -2.077
  289   3HB   ALA  36          1HB       ALA  36  28.028  -2.049  -2.049
  290    H    LYS  37           H        LYS  37  26.362  -3.967  -3.967
  291    HA   LYS  37           HA       LYS  37  28.331  -6.295  -6.295
  292   1HB   LYS  37          1HB       LYS  37  28.060  -4.120  -4.120
  293   2HB   LYS  37          2HB       LYS  37  26.904  -5.188  -5.188
  294   1HG   LYS  37          1HG       LYS  37  28.579  -6.660  -6.660
  295   2HG   LYS  37          2HG       LYS  37  29.555  -6.492  -6.492
  296   1HD   LYS  37          1HD       LYS  37  30.843  -5.535  -5.535
  297   2HD   LYS  37          2HD       LYS  37  30.188  -4.121  -4.121
  298   1HE   LYS  37          1HE       LYS  37  28.189  -4.120  -4.120
  299   2HE   LYS  37          2HE       LYS  37  28.999  -5.394  -5.394
  300   1HZ   LYS  37          2HZ       LYS  37  31.005  -3.674  -3.674
  301   2HZ   LYS  37          3HZ       LYS  37  29.721  -2.589  -2.589
  302   3HZ   LYS  37          1HZ       LYS  37  29.898  -3.630  -3.630
  303    H    MET  38           H        MET  38  24.974  -5.424  -5.424
  304    HA   MET  38           HA       MET  38  24.317  -8.169  -8.169
  305   1HB   MET  38          1HB       MET  38  22.874  -6.657  -6.657
  306   2HB   MET  38          2HB       MET  38  22.960  -5.497  -5.497
  307   1HG   MET  38          1HG       MET  38  20.998  -6.238  -6.238
  308   2HG   MET  38          2HG       MET  38  21.422  -7.947  -7.947
  309   1HE   MET  38          1HE       MET  38  19.903  -9.090  -9.090
  310   2HE   MET  38          3HE       MET  38  20.235  -9.415  -9.415
  311   3HE   MET  38          2HE       MET  38  18.633  -8.797  -8.797

  Start of MODEL    9
    1   1H    THR   1          2H        THR   1 -12.346 -11.964 -11.964
    2   2H    THR   1          3H        THR   1 -11.303 -10.927 -10.927
    3   3H    THR   1          1H        THR   1 -11.278 -12.575 -12.575
    4    HA   THR   1           HA       THR   1 -13.080 -12.558 -12.558
    5    HB   THR   1           HB       THR   1 -11.279 -10.415 -10.415
    6    HG1  THR   1           HG1      THR   1 -12.139 -10.497 -10.497
    7   1HG2  THR   1          3HG2      THR   1 -14.153  -9.308  -9.308
    8   2HG2  THR   1          1HG2      THR   1 -12.660  -8.567  -8.567
    9   3HG2  THR   1          2HG2      THR   1 -12.938  -8.630  -8.630
   10    HA   PRO   2           HA       PRO   2 -17.082 -11.234 -11.234
   11   1HB   PRO   2          1HB       PRO   2 -17.252  -9.751  -9.751
   12   2HB   PRO   2          2HB       PRO   2 -18.460 -10.965 -10.965
   13   1HG   PRO   2          1HG       PRO   2 -16.693 -11.727 -11.727
   14   2HG   PRO   2          2HG       PRO   2 -17.140 -12.763 -12.763
   15   1HD   PRO   2          1HD       PRO   2 -14.819 -10.855 -10.855
   16   2HD   PRO   2          2HD       PRO   2 -14.715 -12.581 -12.581
   17    H    ASP   3           H        ASP   3 -18.692  -9.216  -9.216
   18    HA   ASP   3           HA       ASP   3 -17.882  -7.061  -7.061
   19   1HB   ASP   3          1HB       ASP   3 -20.239  -7.539  -7.539
   20   2HB   ASP   3          2HB       ASP   3 -19.603  -6.585  -6.585
   21    H    VAL   4           H        VAL   4 -16.004  -6.249  -6.249
   22    HA   VAL   4           HA       VAL   4 -14.978  -5.198  -5.198
   23    HB   VAL   4           HB       VAL   4 -13.680  -6.782  -6.782
   24   1HG1  VAL   4          1HG2      VAL   4 -12.794  -3.987  -3.987
   25   2HG1  VAL   4          2HG2      VAL   4 -11.990  -5.531  -5.531
   26   3HG1  VAL   4          3HG2      VAL   4 -13.617  -5.237  -5.237
   27   1HG2  VAL   4          2HG1      VAL   4 -12.679  -6.056  -6.056
   28   2HG2  VAL   4          3HG1      VAL   4 -11.478  -6.086  -6.086
   29   3HG2  VAL   4          1HG1      VAL   4 -12.144  -4.529  -4.529
   30    H    SER   5           H        SER   5 -17.081  -3.924  -3.924
   31    HA   SER   5           HA       SER   5 -15.603  -1.370  -1.370
   32   1HB   SER   5          1HB       SER   5 -17.128  -2.699  -2.699
   33   2HB   SER   5          2HB       SER   5 -18.487  -1.990  -1.990
   34    HG   SER   5           HG       SER   5 -16.377  -0.275  -0.275
   35    H    SER   6           H        SER   6 -18.425  -2.693  -2.693
   36    HA   SER   6           HA       SER   6 -18.435  -0.117  -0.117
   37   1HB   SER   6          1HB       SER   6 -20.628  -2.171  -2.171
   38   2HB   SER   6          2HB       SER   6 -20.773  -1.169  -1.169
   39    HG   SER   6           HG       SER   6 -20.740   0.669   0.669
   40    H    ALA   7           H        ALA   7 -16.475  -2.111  -2.111
   41    HA   ALA   7           HA       ALA   7 -17.189  -3.174  -3.174
   42   1HB   ALA   7          2HB       ALA   7 -16.388  -4.900  -4.900
   43   2HB   ALA   7          3HB       ALA   7 -14.894  -3.972  -3.972
   44   3HB   ALA   7          1HB       ALA   7 -15.197  -4.731  -4.731
   45    H    LEU   8           H        LEU   8 -15.238  -0.947  -0.947
   46    HA   LEU   8           HA       LEU   8 -13.443  -0.314  -0.314
   47   1HB   LEU   8          1HB       LEU   8 -13.315   0.394   0.394
   48   2HB   LEU   8          2HB       LEU   8 -14.363   1.719   1.719
   49    HG   LEU   8           HG       LEU   8 -11.627   1.842   1.842
   50   1HD1  LEU   8          2HD1      LEU   8 -13.224   3.775   3.775
   51   2HD1  LEU   8          3HD1      LEU   8 -13.460   3.469   3.469
   52   3HD1  LEU   8          1HD1      LEU   8 -11.869   3.981   3.981
   53   1HD2  LEU   8          2HD2      LEU   8 -12.314   1.287   1.287
   54   2HD2  LEU   8          3HD2      LEU   8 -11.221   0.339   0.339
   55   3HD2  LEU   8          1HD2      LEU   8 -10.778   1.987   1.987
   56    H    ASP   9           H        ASP   9 -16.669   0.618   0.618
   57    HA   ASP   9           HA       ASP   9 -17.034   2.809   2.809
   58   1HB   ASP   9          1HB       ASP   9 -18.878   2.023   2.023
   59   2HB   ASP   9          2HB       ASP   9 -18.966   0.489   0.489
   60    H    LYS  10           H        LYS  10 -17.085  -0.627  -0.627
   61    HA   LYS  10           HA       LYS  10 -17.695  -0.199  -0.199
   62   1HB   LYS  10          1HB       LYS  10 -16.659  -2.535  -2.535
   63   2HB   LYS  10          2HB       LYS  10 -16.504  -2.654  -2.654
   64   1HG   LYS  10          1HG       LYS  10 -19.187  -2.076  -2.076
   65   2HG   LYS  10          2HG       LYS  10 -18.652  -3.688  -3.688
   66   1HD   LYS  10          1HD       LYS  10 -18.512  -1.934  -1.934
   67   2HD   LYS  10          2HD       LYS  10 -20.061  -1.637  -1.637
   68   1HE   LYS  10          1HE       LYS  10 -20.638  -4.058  -4.058
   69   2HE   LYS  10          2HE       LYS  10 -19.031  -4.507  -4.507
   70   1HZ   LYS  10          3HZ       LYS  10 -19.565  -2.946  -2.946
   71   2HZ   LYS  10          1HZ       LYS  10 -21.166  -3.063  -3.063
   72   3HZ   LYS  10          2HZ       LYS  10 -20.322  -4.446  -4.446
   73    H    LEU  11           H        LEU  11 -14.795  -0.350  -0.350
   74    HA   LEU  11           HA       LEU  11 -13.204   0.210   0.210
   75   1HB   LEU  11          1HB       LEU  11 -12.460  -0.912  -0.912
   76   2HB   LEU  11          2HB       LEU  11 -11.219  -0.105  -0.105
   77    HG   LEU  11           HG       LEU  11 -10.772  -2.208  -2.208
   78   1HD1  LEU  11          2HD1      LEU  11 -11.598  -1.046  -1.046
   79   2HD1  LEU  11          3HD1      LEU  11 -13.243  -1.670  -1.670
   80   3HD1  LEU  11          1HD1      LEU  11 -11.908  -2.789  -2.789
   81   1HD2  LEU  11          2HD2      LEU  11 -13.724  -3.027  -3.027
   82   2HD2  LEU  11          3HD2      LEU  11 -12.327  -3.397  -3.397
   83   3HD2  LEU  11          1HD2      LEU  11 -12.436  -4.129  -4.129
   84    H    LYS  12           H        LYS  12 -14.931   2.104   2.104
   85    HA   LYS  12           HA       LYS  12 -12.974   4.198   4.198
   86   1HB   LYS  12          1HB       LYS  12 -15.387   4.070   4.070
   87   2HB   LYS  12          2HB       LYS  12 -15.970   4.438   4.438
   88   1HG   LYS  12          1HG       LYS  12 -15.917   6.652   6.652
   89   2HG   LYS  12          2HG       LYS  12 -14.187   6.565   6.565
   90   1HD   LYS  12          1HD       LYS  12 -14.694   5.524   5.524
   91   2HD   LYS  12          2HD       LYS  12 -15.634   7.017   7.017
   92   1HE   LYS  12          1HE       LYS  12 -13.720   8.380   8.380
   93   2HE   LYS  12          2HE       LYS  12 -12.762   7.060   7.060
   94   1HZ   LYS  12          1HZ       LYS  12 -13.605   6.951   6.951
   95   2HZ   LYS  12          2HZ       LYS  12 -12.252   7.835   7.835
   96   3HZ   LYS  12          3HZ       LYS  12 -12.316   6.179   6.179
   97    H    GLU  13           H        GLU  13 -11.791   3.553   3.553
   98    HA   GLU  13           HA       GLU  13 -11.845   5.576   5.576
   99   1HB   GLU  13          1HB       GLU  13 -14.258   4.801   4.801
  100   2HB   GLU  13          2HB       GLU  13 -13.674   3.217   3.217
  101   1HG   GLU  13          1HG       GLU  13 -13.874   4.028   4.028
  102   2HG   GLU  13          2HG       GLU  13 -12.289   4.706   4.706
  103    H    PHE  14           H        PHE  14 -12.227   2.261   2.261
  104    HA   PHE  14           HA       PHE  14  -9.706   1.743   1.743
  105   1HB   PHE  14          1HB       PHE  14 -11.036  -0.193  -0.193
  106   2HB   PHE  14          2HB       PHE  14 -11.667   0.013   0.013
  107    HD1  PHE  14           HD1      PHE  14  -9.884  -0.415  -0.415
  108    HD2  PHE  14           HD2      PHE  14  -9.533  -1.973  -1.973
  109    HE1  PHE  14           HE1      PHE  14  -8.502  -2.265  -2.265
  110    HE2  PHE  14           HE2      PHE  14  -8.172  -3.841  -3.841
  111    HZ   PHE  14           HZ       PHE  14  -7.655  -3.992  -3.992
  112    H    GLY  15           H        GLY  15 -10.206   2.361   2.361
  113   1HA   GLY  15          1HA       GLY  15  -7.496   1.121   1.121
  114   2HA   GLY  15          2HA       GLY  15  -8.667   1.750   1.750
  115    H    ASN  16           H        ASN  16  -9.231   4.205   4.205
  116    HA   ASN  16           HA       ASN  16  -7.135   5.950   5.950
  117   1HB   ASN  16          1HB       ASN  16  -9.227   7.012   7.012
  118   2HB   ASN  16          2HB       ASN  16  -9.400   6.217   6.217
  119   1HD2  ASN  16          1HD2      ASN  16  -8.554   9.457   9.457
  120   2HD2  ASN  16          2HD2      ASN  16  -9.884   8.196   8.196
  121    H    THR  17           H        THR  17  -7.501   4.292   4.292
  122    HA   THR  17           HA       THR  17  -5.440   5.896   5.896
  123    HB   THR  17           HB       THR  17  -6.592   3.094   3.094
  124    HG1  THR  17           HG1      THR  17  -7.748   4.259   4.259
  125   1HG2  THR  17          3HG2      THR  17  -4.970   4.905   4.905
  126   2HG2  THR  17          1HG2      THR  17  -5.832   3.414   3.414
  127   3HG2  THR  17          2HG2      THR  17  -4.435   3.322   3.322
  128    H    LEU  18           H        LEU  18  -5.412   2.960   2.960
  129    HA   LEU  18           HA       LEU  18  -2.637   2.223   2.223
  130   1HB   LEU  18          1HB       LEU  18  -3.973   2.023   2.023
  131   2HB   LEU  18          2HB       LEU  18  -2.731   0.982   0.982
  132    HG   LEU  18           HG       LEU  18  -5.722   1.017   1.017
  133   1HD1  LEU  18          2HD1      LEU  18  -4.860  -0.416  -0.416
  134   2HD1  LEU  18          3HD1      LEU  18  -3.748  -1.247  -1.247
  135   3HD1  LEU  18          1HD1      LEU  18  -5.509  -1.415  -1.415
  136   1HD2  LEU  18          2HD2      LEU  18  -3.575  -0.353  -0.353
  137   2HD2  LEU  18          3HD2      LEU  18  -4.715   0.923   0.923
  138   3HD2  LEU  18          1HD2      LEU  18  -5.328  -0.681  -0.681
  139    H    GLU  19           H        GLU  19  -4.056   4.657   4.657
  140    HA   GLU  19           HA       GLU  19  -1.294   5.196   5.196
  141   1HB   GLU  19          1HB       GLU  19  -3.653   4.983   4.983
  142   2HB   GLU  19          2HB       GLU  19  -3.915   6.627   6.627
  143   1HG   GLU  19          1HG       GLU  19  -2.107   7.500   7.500
  144   2HG   GLU  19          2HG       GLU  19  -1.362   5.935   5.935
  145    H    ASP  20           H        ASP  20  -2.035   5.851   5.851
  146    HA   ASP  20           HA       ASP  20  -0.953   8.676   8.676
  147   1HB   ASP  20          1HB       ASP  20  -3.558   8.102   8.102
  148   2HB   ASP  20          2HB       ASP  20  -2.562   8.282   8.282
  149    H    LYS  21           H        LYS  21  -1.392   5.875   5.875
  150    HA   LYS  21           HA       LYS  21   0.960   6.763   6.763
  151   1HB   LYS  21          1HB       LYS  21  -0.001   5.435   5.435
  152   2HB   LYS  21          2HB       LYS  21  -1.385   5.304   5.304
  153   1HG   LYS  21          1HG       LYS  21   0.502   3.299   3.299
  154   2HG   LYS  21          2HG       LYS  21   0.562   3.221   3.221
  155   1HD   LYS  21          1HD       LYS  21  -2.179   3.264   3.264
  156   2HD   LYS  21          2HD       LYS  21  -1.661   2.566   2.566
  157   1HE   LYS  21          1HE       LYS  21  -0.083   1.327   1.327
  158   2HE   LYS  21          2HE       LYS  21  -1.801   1.197   1.197
  159   1HZ   LYS  21          2HZ       LYS  21  -2.039   0.519   0.519
  160   2HZ   LYS  21          3HZ       LYS  21  -0.397   0.168   0.168
  161   3HZ   LYS  21          1HZ       LYS  21  -1.489  -0.601  -0.601
  162    H    ALA  22           H        ALA  22   0.239   4.549   4.549
  163    HA   ALA  22           HA       ALA  22   2.869   3.166   3.166
  164   1HB   ALA  22          2HB       ALA  22   0.866   2.152   2.152
  165   2HB   ALA  22          3HB       ALA  22   0.864   3.463   3.463
  166   3HB   ALA  22          1HB       ALA  22   2.212   2.302   2.302
  167    H    ARG  23           H        ARG  23   1.934   6.271   6.271
  168    HA   ARG  23           HA       ARG  23   4.114   6.782   6.782
  169   1HB   ARG  23          1HB       ARG  23   2.209   8.360   8.360
  170   2HB   ARG  23          2HB       ARG  23   3.769   9.156   9.156
  171   1HG   ARG  23          1HG       ARG  23   2.193   9.941   9.941
  172   2HG   ARG  23          2HG       ARG  23   3.654   9.227   9.227
  173   1HD   ARG  23          1HD       ARG  23   1.340   7.312   7.312
  174   2HD   ARG  23          2HD       ARG  23   1.096   8.561   8.561
  175    HE   ARG  23           HE       ARG  23   3.754   7.206   7.206
  176   1HH1  ARG  23          2HH2      ARG  23   0.482   7.113   7.113
  177   2HH1  ARG  23          1HH2      ARG  23   0.945   6.093   6.093
  178   1HH2  ARG  23          1HH1      ARG  23   4.179   6.106   6.106
  179   2HH2  ARG  23          2HH1      ARG  23   2.953   5.543   5.543
  180    H    GLU  24           H        GLU  24   3.985   6.745   6.745
  181    HA   GLU  24           HA       GLU  24   6.763   7.888   7.888
  182   1HB   GLU  24          1HB       GLU  24   5.083   6.651   6.651
  183   2HB   GLU  24          2HB       GLU  24   6.401   7.784   7.784
  184   1HG   GLU  24          1HG       GLU  24   5.058   9.674   9.674
  185   2HG   GLU  24          2HG       GLU  24   3.925   8.716   8.716
  186    H    LEU  25           H        LEU  25   5.150   4.811   4.811
  187    HA   LEU  25           HA       LEU  25   7.642   3.405   3.405
  188   1HB   LEU  25          1HB       LEU  25   5.866   2.078   2.078
  189   2HB   LEU  25          2HB       LEU  25   4.789   2.707   2.707
  190    HG   LEU  25           HG       LEU  25   6.954   0.703   0.703
  191   1HD1  LEU  25          2HD1      LEU  25   5.826  -0.274  -0.274
  192   2HD1  LEU  25          3HD1      LEU  25   4.228  -0.036  -0.036
  193   3HD1  LEU  25          1HD1      LEU  25   5.394  -1.175  -1.175
  194   1HD2  LEU  25          2HD2      LEU  25   4.101   1.270   1.270
  195   2HD2  LEU  25          3HD2      LEU  25   5.643   1.685   1.685
  196   3HD2  LEU  25          1HD2      LEU  25   5.187  -0.012  -0.012
  197    H    ILE  26           H        ILE  26   6.237   4.320   4.320
  198    HA   ILE  26           HA       ILE  26   7.719   2.397   2.397
  199    HB   ILE  26           HB       ILE  26   6.199   4.946   4.946
  200   1HG1  ILE  26          1HG1      ILE  26   6.290   2.595   2.595
  201   2HG1  ILE  26          2HG1      ILE  26   5.450   2.415   2.415
  202   1HG2  ILE  26          2HG2      ILE  26   8.329   5.609   5.609
  203   2HG2  ILE  26          3HG2      ILE  26   8.294   4.083   4.083
  204   3HG2  ILE  26          1HG2      ILE  26   7.043   5.324   5.324
  205   1HD1  ILE  26          2HD1      ILE  26   3.952   4.382   4.382
  206   2HD1  ILE  26          3HD1      ILE  26   4.703   4.535   4.535
  207   3HD1  ILE  26          1HD1      ILE  26   3.808   3.066   3.066
  208    H    SER  27           H        SER  27   8.569   5.449   5.449
  209    HA   SER  27           HA       SER  27  11.173   5.687   5.687
  210   1HB   SER  27          1HB       SER  27  10.887   7.656   7.656
  211   2HB   SER  27          2HB       SER  27   9.823   6.952   6.952
  212    HG   SER  27           HG       SER  27  11.619   7.475   7.475
  213    H    ARG  28           H        ARG  28  10.060   3.894   3.894
  214    HA   ARG  28           HA       ARG  28  12.772   2.850   2.850
  215   1HB   ARG  28          1HB       ARG  28  10.980   2.918   2.918
  216   2HB   ARG  28          2HB       ARG  28   9.907   1.940   1.940
  217   1HG   ARG  28          1HG       ARG  28  12.189   0.241   0.241
  218   2HG   ARG  28          2HG       ARG  28  12.162   1.106   1.106
  219   1HD   ARG  28          1HD       ARG  28   9.776   0.399   0.399
  220   2HD   ARG  28          2HD       ARG  28   9.739  -0.386  -0.386
  221    HE   ARG  28           HE       ARG  28  11.054  -2.173  -2.173
  222   1HH1  ARG  28          2HH2      ARG  28  11.177   0.420   0.420
  223   2HH1  ARG  28          1HH2      ARG  28  12.028  -0.631  -0.631
  224   1HH2  ARG  28          1HH1      ARG  28  11.972  -3.249  -3.249
  225   2HH2  ARG  28          2HH1      ARG  28  12.464  -2.626  -2.626
  226    H    ILE  29           H        ILE  29  10.333   2.037   2.037
  227    HA   ILE  29           HA       ILE  29  11.202  -0.831  -0.831
  228    HB   ILE  29           HB       ILE  29   9.080   0.875   0.875
  229   1HG1  ILE  29          1HG1      ILE  29   7.791  -0.249  -0.249
  230   2HG1  ILE  29          2HG1      ILE  29   7.921  -1.623  -1.623
  231   1HG2  ILE  29          2HG2      ILE  29  10.113  -0.259  -0.259
  232   2HG2  ILE  29          3HG2      ILE  29   9.951  -1.846  -1.846
  233   3HG2  ILE  29          1HG2      ILE  29   8.523  -0.906  -0.906
  234   1HD1  ILE  29          2HD1      ILE  29   9.889  -2.545  -2.545
  235   2HD1  ILE  29          3HD1      ILE  29   9.725  -1.225  -1.225
  236   3HD1  ILE  29          1HD1      ILE  29   8.415  -2.400  -2.400
  237    H    LYS  30           H        LYS  30  11.817   2.155   2.155
  238    HA   LYS  30           HA       LYS  30  13.017   1.027   1.027
  239   1HB   LYS  30          1HB       LYS  30  13.270   3.257   3.257
  240   2HB   LYS  30          2HB       LYS  30  12.610   3.628   3.628
  241   1HG   LYS  30          1HG       LYS  30  15.552   2.922   2.922
  242   2HG   LYS  30          2HG       LYS  30  15.184   4.333   4.333
  243   1HD   LYS  30          1HD       LYS  30  14.247   3.969   3.969
  244   2HD   LYS  30          2HD       LYS  30  15.801   4.707   4.707
  245   1HE   LYS  30          1HE       LYS  30  13.455   5.820   5.820
  246   2HE   LYS  30          2HE       LYS  30  13.373   6.143   6.143
  247   1HZ   LYS  30          2HZ       LYS  30  15.933   6.550   6.550
  248   2HZ   LYS  30          3HZ       LYS  30  14.717   7.705   7.705
  249   3HZ   LYS  30          1HZ       LYS  30  15.338   7.300   7.300
  250    H    GLN  31           H        GLN  31  14.247   1.543   1.543
  251    HA   GLN  31           HA       GLN  31  17.050   0.896   0.896
  252   1HB   GLN  31          1HB       GLN  31  15.979   2.657   2.657
  253   2HB   GLN  31          2HB       GLN  31  16.465   1.313   1.313
  254   1HG   GLN  31          1HG       GLN  31  18.836   1.587   1.587
  255   2HG   GLN  31          2HG       GLN  31  18.230   3.199   3.199
  256   1HE2  GLN  31          2HE2      GLN  31  19.994   3.985   3.985
  257   2HE2  GLN  31          1HE2      GLN  31  19.833   4.183   4.183
  258    H    SER  32           H        SER  32  15.190  -1.185  -1.185
  259    HA   SER  32           HA       SER  32  17.002  -3.235  -3.235
  260   1HB   SER  32          1HB       SER  32  14.861  -2.424  -2.424
  261   2HB   SER  32          2HB       SER  32  14.828  -4.150  -4.150
  262    HG   SER  32           HG       SER  32  17.387  -3.489  -3.489
  263    H    GLU  33           H        GLU  33  15.619  -2.465  -2.465
  264    HA   GLU  33           HA       GLU  33  14.322  -5.199  -5.199
  265   1HB   GLU  33          1HB       GLU  33  13.228  -2.463  -2.463
  266   2HB   GLU  33          2HB       GLU  33  13.287  -3.240  -3.240
  267   1HG   GLU  33          1HG       GLU  33  12.103  -5.221  -5.221
  268   2HG   GLU  33          2HG       GLU  33  11.414  -3.711  -3.711
  269    H    LEU  34           H        LEU  34  17.061  -4.176  -4.176
  270    HA   LEU  34           HA       LEU  34  17.235  -4.702  -4.702
  271   1HB   LEU  34          1HB       LEU  34  19.744  -4.020  -4.020
  272   2HB   LEU  34          2HB       LEU  34  18.529  -2.758  -2.758
  273    HG   LEU  34           HG       LEU  34  19.614  -3.951  -3.951
  274   1HD1  LEU  34          2HD1      LEU  34  21.491  -2.953  -2.953
  275   2HD1  LEU  34          3HD1      LEU  34  20.589  -1.427  -1.427
  276   3HD1  LEU  34          1HD1      LEU  34  21.142  -1.970  -1.970
  277   1HD2  LEU  34          2HD2      LEU  34  18.068  -1.325  -1.325
  278   2HD2  LEU  34          3HD2      LEU  34  17.473  -2.737  -2.737
  279   3HD2  LEU  34          1HD2      LEU  34  18.788  -1.764  -1.764
  280    H    SER  35           H        SER  35  18.688  -5.607  -5.607
  281    HA   SER  35           HA       SER  35  19.765  -7.628  -7.628
  282   1HB   SER  35          1HB       SER  35  17.532  -8.533  -8.533
  283   2HB   SER  35          2HB       SER  35  18.646  -9.116  -9.116
  284    HG   SER  35           HG       SER  35  19.127 -10.682 -10.682
  285    H    ALA  36           H        ALA  36  20.767  -5.757  -5.757
  286    HA   ALA  36           HA       ALA  36  23.105  -5.536  -5.536
  287   1HB   ALA  36          2HB       ALA  36  23.712  -7.388  -7.388
  288   2HB   ALA  36          3HB       ALA  36  23.257  -8.612  -8.612
  289   3HB   ALA  36          1HB       ALA  36  24.655  -7.548  -7.548
  290    H    LYS  37           H        LYS  37  21.134  -8.064  -8.064
  291    HA   LYS  37           HA       LYS  37  21.301  -6.983  -6.983
  292   1HB   LYS  37          1HB       LYS  37  23.812  -8.093  -8.093
  293   2HB   LYS  37          2HB       LYS  37  23.041  -9.455  -9.455
  294   1HG   LYS  37          1HG       LYS  37  22.788  -6.774  -6.774
  295   2HG   LYS  37          2HG       LYS  37  24.419  -7.430  -7.430
  296   1HD   LYS  37          1HD       LYS  37  23.100  -9.664  -9.664
  297   2HD   LYS  37          2HD       LYS  37  21.962  -8.433  -8.433
  298   1HE   LYS  37          1HE       LYS  37  23.567  -7.375  -7.375
  299   2HE   LYS  37          2HE       LYS  37  24.956  -7.929  -7.929
  300   1HZ   LYS  37          1HZ       LYS  37  23.268 -10.000 -10.000
  301   2HZ   LYS  37          2HZ       LYS  37  24.239  -9.096  -9.096
  302   3HZ   LYS  37          3HZ       LYS  37  24.933  -9.961  -9.961
  303    H    MET  38           H        MET  38  19.469  -8.160  -8.160
  304    HA   MET  38           HA       MET  38  18.782 -10.824 -10.824
  305   1HB   MET  38          1HB       MET  38  17.902 -10.838 -10.838
  306   2HB   MET  38          2HB       MET  38  17.853  -9.086  -9.086
  307   1HG   MET  38          1HG       MET  38  15.565  -9.554  -9.554
  308   2HG   MET  38          2HG       MET  38  15.700  -9.302  -9.302
  309   1HE   MET  38          2HE       MET  38  15.934 -11.459 -11.459
  310   2HE   MET  38          1HE       MET  38  14.668 -12.682 -12.682
  311   3HE   MET  38          3HE       MET  38  16.389 -13.062 -13.062

  Start of MODEL   10
    1   1H    THR   1          2H        THR   1  -9.677 -12.063 -12.063
    2   2H    THR   1          3H        THR   1  -8.622 -10.754 -10.754
    3   3H    THR   1          1H        THR   1  -8.251 -12.161 -12.161
    4    HA   THR   1           HA       THR   1  -9.707 -11.798 -11.798
    5    HB   THR   1           HB       THR   1  -7.941  -9.737  -9.737
    6    HG1  THR   1           HG1      THR   1  -8.378  -9.036  -9.036
    7   1HG2  THR   1          3HG2      THR   1 -10.667  -8.335  -8.335
    8   2HG2  THR   1          1HG2      THR   1  -9.072  -7.545  -7.545
    9   3HG2  THR   1          2HG2      THR   1  -9.686  -8.175  -8.175
   10    HA   PRO   2           HA       PRO   2 -13.977 -11.105 -11.105
   11   1HB   PRO   2          1HB       PRO   2 -13.725  -9.039  -9.039
   12   2HB   PRO   2          2HB       PRO   2 -14.923 -10.488 -10.488
   13   1HG   PRO   2          1HG       PRO   2 -12.652 -10.617 -10.617
   14   2HG   PRO   2          2HG       PRO   2 -13.296 -12.013 -12.013
   15   1HD   PRO   2          1HD       PRO   2 -11.132  -9.807  -9.807
   16   2HD   PRO   2          2HD       PRO   2 -10.946 -11.624 -11.624
   17    H    ASP   3           H        ASP   3 -15.730  -9.289  -9.289
   18    HA   ASP   3           HA       ASP   3 -15.350  -7.433  -7.433
   19   1HB   ASP   3          1HB       ASP   3 -17.639  -8.035  -8.035
   20   2HB   ASP   3          2HB       ASP   3 -17.234  -7.194  -7.194
   21    H    VAL   4           H        VAL   4 -13.663  -6.275  -6.275
   22    HA   VAL   4           HA       VAL   4 -12.875  -4.630  -4.630
   23    HB   VAL   4           HB       VAL   4 -11.197  -6.137  -6.137
   24   1HG1  VAL   4          1HG2      VAL   4 -11.231  -3.887  -3.887
   25   2HG1  VAL   4          2HG2      VAL   4 -10.023  -5.190  -5.190
   26   3HG1  VAL   4          3HG2      VAL   4 -11.689  -5.587  -5.587
   27   1HG2  VAL   4          2HG1      VAL   4 -10.357  -4.331  -4.331
   28   2HG2  VAL   4          3HG1      VAL   4  -9.262  -4.592  -4.592
   29   3HG2  VAL   4          1HG1      VAL   4 -10.334  -3.168  -3.168
   30    H    SER   5           H        SER   5 -15.200  -3.999  -3.999
   31    HA   SER   5           HA       SER   5 -14.306  -1.242  -1.242
   32   1HB   SER   5          1HB       SER   5 -16.675  -1.068  -1.068
   33   2HB   SER   5          2HB       SER   5 -15.648  -2.254  -2.254
   34    HG   SER   5           HG       SER   5 -17.700  -2.714  -2.714
   35    H    SER   6           H        SER   6 -16.485  -2.988  -2.988
   36    HA   SER   6           HA       SER   6 -16.455  -0.464  -0.464
   37   1HB   SER   6          1HB       SER   6 -18.814  -0.993  -0.993
   38   2HB   SER   6          2HB       SER   6 -18.743  -0.494  -0.494
   39    HG   SER   6           HG       SER   6 -18.637  -3.246  -3.246
   40    H    ALA   7           H        ALA   7 -14.736  -2.690  -2.690
   41    HA   ALA   7           HA       ALA   7 -15.461  -4.068  -4.068
   42   1HB   ALA   7          2HB       ALA   7 -14.322  -5.382  -5.382
   43   2HB   ALA   7          3HB       ALA   7 -12.939  -4.262  -4.262
   44   3HB   ALA   7          1HB       ALA   7 -13.267  -5.309  -5.309
   45    H    LEU   8           H        LEU   8 -13.631  -1.410  -1.410
   46    HA   LEU   8           HA       LEU   8 -12.087  -0.971  -0.971
   47   1HB   LEU   8          1HB       LEU   8 -11.836   0.157   0.157
   48   2HB   LEU   8          2HB       LEU   8 -13.065   1.273   1.273
   49    HG   LEU   8           HG       LEU   8 -11.533   1.883   1.883
   50   1HD1  LEU   8          2HD1      LEU   8 -10.117  -0.192  -0.192
   51   2HD1  LEU   8          3HD1      LEU   8  -9.447   0.250   0.250
   52   3HD1  LEU   8          1HD1      LEU   8  -9.113   1.260   1.260
   53   1HD2  LEU   8          2HD2      LEU   8 -10.457   2.405   2.405
   54   2HD2  LEU   8          3HD2      LEU   8 -11.632   3.398   3.398
   55   3HD2  LEU   8          1HD2      LEU   8  -9.960   3.306   3.306
   56    H    ASP   9           H        ASP   9 -15.307  -0.223  -0.223
   57    HA   ASP   9           HA       ASP   9 -15.986   1.699   1.699
   58   1HB   ASP   9          1HB       ASP   9 -17.577   1.101   1.101
   59   2HB   ASP   9          2HB       ASP   9 -17.721  -0.534  -0.534
   60    H    LYS  10           H        LYS  10 -15.767  -1.773  -1.773
   61    HA   LYS  10           HA       LYS  10 -17.094  -2.080  -2.080
   62   1HB   LYS  10          1HB       LYS  10 -14.839  -3.661  -3.661
   63   2HB   LYS  10          2HB       LYS  10 -15.411  -4.143  -4.143
   64   1HG   LYS  10          1HG       LYS  10 -17.288  -3.816  -3.816
   65   2HG   LYS  10          2HG       LYS  10 -16.514  -5.339  -5.339
   66   1HD   LYS  10          1HD       LYS  10 -18.430  -3.725  -3.725
   67   2HD   LYS  10          2HD       LYS  10 -18.938  -5.051  -5.051
   68   1HE   LYS  10          1HE       LYS  10 -16.991  -6.456  -6.456
   69   2HE   LYS  10          2HE       LYS  10 -17.114  -5.224  -5.224
   70   1HZ   LYS  10          1HZ       LYS  10 -19.530  -6.574  -6.574
   71   2HZ   LYS  10          2HZ       LYS  10 -18.619  -7.226  -7.226
   72   3HZ   LYS  10          3HZ       LYS  10 -19.350  -5.723  -5.723
   73    H    LEU  11           H        LEU  11 -13.770  -1.300  -1.300
   74    HA   LEU  11           HA       LEU  11 -13.096  -0.930  -0.930
   75   1HB   LEU  11          1HB       LEU  11 -11.576  -0.685  -0.685
   76   2HB   LEU  11          2HB       LEU  11 -10.941   0.170   0.170
   77    HG   LEU  11           HG       LEU  11 -10.295  -1.780  -1.780
   78   1HD1  LEU  11          2HD1      LEU  11 -12.556  -2.873  -2.873
   79   2HD1  LEU  11          3HD1      LEU  11 -12.339  -3.414  -3.414
   80   3HD1  LEU  11          1HD1      LEU  11 -11.289  -4.049  -4.049
   81   1HD2  LEU  11          2HD2      LEU  11 -10.154  -2.585  -2.585
   82   2HD2  LEU  11          3HD2      LEU  11  -8.931  -1.674  -1.674
   83   3HD2  LEU  11          1HD2      LEU  11  -9.234  -3.370  -3.370
   84    H    LYS  12           H        LYS  12 -12.323   1.292   1.292
   85    HA   LYS  12           HA       LYS  12 -12.373   3.673   3.673
   86   1HB   LYS  12          1HB       LYS  12 -14.832   3.346   3.346
   87   2HB   LYS  12          2HB       LYS  12 -14.974   3.064   3.064
   88   1HG   LYS  12          1HG       LYS  12 -15.696   5.353   5.353
   89   2HG   LYS  12          2HG       LYS  12 -14.062   5.502   5.502
   90   1HD   LYS  12          1HD       LYS  12 -14.046   5.403   5.403
   91   2HD   LYS  12          2HD       LYS  12 -15.196   6.626   6.626
   92   1HE   LYS  12          1HE       LYS  12 -12.908   6.904   6.904
   93   2HE   LYS  12          2HE       LYS  12 -12.217   6.702   6.702
   94   1HZ   LYS  12          2HZ       LYS  12 -14.543   8.445   8.445
   95   2HZ   LYS  12          3HZ       LYS  12 -13.161   9.008   9.008
   96   3HZ   LYS  12          1HZ       LYS  12 -13.107   8.615   8.615
   97    H    GLU  13           H        GLU  13 -13.974   3.672   3.672
   98    HA   GLU  13           HA       GLU  13 -12.051   5.207   5.207
   99   1HB   GLU  13          1HB       GLU  13 -13.549   2.766   2.766
  100   2HB   GLU  13          2HB       GLU  13 -12.948   4.129   4.129
  101   1HG   GLU  13          1HG       GLU  13 -14.630   5.656   5.656
  102   2HG   GLU  13          2HG       GLU  13 -15.234   4.288   4.288
  103    H    PHE  14           H        PHE  14 -12.198   1.770   1.770
  104    HA   PHE  14           HA       PHE  14  -9.715   1.566   1.566
  105   1HB   PHE  14          1HB       PHE  14 -11.095  -0.383  -0.383
  106   2HB   PHE  14          2HB       PHE  14 -11.338  -0.407  -0.407
  107    HD1  PHE  14           HD1      PHE  14  -9.024  -0.885  -0.885
  108    HD2  PHE  14           HD2      PHE  14  -9.783  -2.111  -2.111
  109    HE1  PHE  14           HE1      PHE  14  -7.464  -2.765  -2.765
  110    HE2  PHE  14           HE2      PHE  14  -8.216  -3.995  -3.995
  111    HZ   PHE  14           HZ       PHE  14  -7.073  -4.340  -4.340
  112    H    GLY  15           H        GLY  15  -9.950   2.084   2.084
  113   1HA   GLY  15          1HA       GLY  15  -7.163   0.988   0.988
  114   2HA   GLY  15          2HA       GLY  15  -8.200   1.792   1.792
  115    H    ASN  16           H        ASN  16  -8.856   4.103   4.103
  116    HA   ASN  16           HA       ASN  16  -6.708   5.905   5.905
  117   1HB   ASN  16          1HB       ASN  16  -8.831   6.940   6.940
  118   2HB   ASN  16          2HB       ASN  16  -9.222   5.951   5.951
  119   1HD2  ASN  16          1HD2      ASN  16  -8.562   8.850   8.850
  120   2HD2  ASN  16          2HD2      ASN  16  -9.802   7.604   7.604
  121    H    THR  17           H        THR  17  -7.381   4.000   4.000
  122    HA   THR  17           HA       THR  17  -5.596   5.530   5.530
  123    HB   THR  17           HB       THR  17  -6.423   2.558   2.558
  124    HG1  THR  17           HG1      THR  17  -8.099   3.387   3.387
  125   1HG2  THR  17          3HG2      THR  17  -5.664   4.548   4.548
  126   2HG2  THR  17          1HG2      THR  17  -6.280   2.894   2.894
  127   3HG2  THR  17          2HG2      THR  17  -4.696   3.139   3.139
  128    H    LEU  18           H        LEU  18  -5.143   2.563   2.563
  129    HA   LEU  18           HA       LEU  18  -2.240   2.438   2.438
  130   1HB   LEU  18          1HB       LEU  18  -2.179   0.448   0.448
  131   2HB   LEU  18          2HB       LEU  18  -3.874   0.493   0.493
  132    HG   LEU  18           HG       LEU  18  -3.618   1.864   1.864
  133   1HD1  LEU  18          2HD1      LEU  18  -1.423   0.665   0.665
  134   2HD1  LEU  18          3HD1      LEU  18  -2.219  -0.899  -0.899
  135   3HD1  LEU  18          1HD1      LEU  18  -2.616   0.045   0.045
  136   1HD2  LEU  18          2HD2      LEU  18  -4.821  -0.898  -0.898
  137   2HD2  LEU  18          3HD2      LEU  18  -5.680   0.661   0.661
  138   3HD2  LEU  18          1HD2      LEU  18  -5.076  -0.053  -0.053
  139    H    GLU  19           H        GLU  19  -4.051   4.297   4.297
  140    HA   GLU  19           HA       GLU  19  -1.527   4.930   4.930
  141   1HB   GLU  19          1HB       GLU  19  -4.052   4.806   4.806
  142   2HB   GLU  19          2HB       GLU  19  -4.236   6.389   6.389
  143   1HG   GLU  19          1HG       GLU  19  -1.850   6.191   6.191
  144   2HG   GLU  19          2HG       GLU  19  -3.360   5.836   5.836
  145    H    ASP  20           H        ASP  20  -2.083   5.498   5.498
  146    HA   ASP  20           HA       ASP  20  -0.950   8.315   8.315
  147   1HB   ASP  20          1HB       ASP  20  -3.211   7.920   7.920
  148   2HB   ASP  20          2HB       ASP  20  -2.165   7.197   7.197
  149    H    LYS  21           H        LYS  21  -0.714   5.199   5.199
  150    HA   LYS  21           HA       LYS  21   2.012   5.800   5.800
  151   1HB   LYS  21          1HB       LYS  21   0.449   3.160   3.160
  152   2HB   LYS  21          2HB       LYS  21   2.060   3.199   3.199
  153   1HG   LYS  21          1HG       LYS  21   1.074   3.552   3.552
  154   2HG   LYS  21          2HG       LYS  21   0.608   5.160   5.160
  155   1HD   LYS  21          1HD       LYS  21  -1.245   3.666   3.666
  156   2HD   LYS  21          2HD       LYS  21  -1.611   4.365   4.365
  157   1HE   LYS  21          1HE       LYS  21  -1.735   2.283   2.283
  158   2HE   LYS  21          2HE       LYS  21  -0.137   1.822   1.822
  159   1HZ   LYS  21          1HZ       LYS  21  -1.516   1.693   1.693
  160   2HZ   LYS  21          2HZ       LYS  21  -2.757   1.345   1.345
  161   3HZ   LYS  21          3HZ       LYS  21  -1.368   0.397   0.397
  162    H    ALA  22           H        ALA  22   0.674   4.058   4.058
  163    HA   ALA  22           HA       ALA  22   3.079   3.248   3.248
  164   1HB   ALA  22          2HB       ALA  22   0.743   2.869   2.869
  165   2HB   ALA  22          3HB       ALA  22   0.581   4.601   4.601
  166   3HB   ALA  22          1HB       ALA  22   1.762   3.601   3.601
  167    H    ARG  23           H        ARG  23   1.848   6.469   6.469
  168    HA   ARG  23           HA       ARG  23   4.221   7.620   7.620
  169   1HB   ARG  23          1HB       ARG  23   1.816   8.758   8.758
  170   2HB   ARG  23          2HB       ARG  23   3.206   9.795   9.795
  171   1HG   ARG  23          1HG       ARG  23   2.122  10.328  10.328
  172   2HG   ARG  23          2HG       ARG  23   2.823   8.825   8.825
  173   1HD   ARG  23          1HD       ARG  23   0.781   7.651   7.651
  174   2HD   ARG  23          2HD       ARG  23   0.191   8.602   8.602
  175    HE   ARG  23           HE       ARG  23   0.200   9.537   9.537
  176   1HH1  ARG  23          2HH2      ARG  23  -0.726  10.176  10.176
  177   2HH1  ARG  23          1HH2      ARG  23  -1.880  11.523  11.523
  178   1HH2  ARG  23          1HH1      ARG  23  -1.064  10.997  10.997
  179   2HH2  ARG  23          2HH1      ARG  23  -2.063  11.979  11.979
  180    H    GLU  24           H        GLU  24   6.027   8.274   8.274
  181    HA   GLU  24           HA       GLU  24   7.719   8.721   8.721
  182   1HB   GLU  24          1HB       GLU  24   5.959   7.643   7.643
  183   2HB   GLU  24          2HB       GLU  24   7.357   8.697   8.697
  184   1HG   GLU  24          1HG       GLU  24   6.132  10.651  10.651
  185   2HG   GLU  24          2HG       GLU  24   4.928   9.782   9.782
  186    H    LEU  25           H        LEU  25   5.753   5.810   5.810
  187    HA   LEU  25           HA       LEU  25   8.292   4.198   4.198
  188   1HB   LEU  25          1HB       LEU  25   6.645   2.891   2.891
  189   2HB   LEU  25          2HB       LEU  25   5.358   3.619   3.619
  190    HG   LEU  25           HG       LEU  25   7.240   1.570   1.570
  191   1HD1  LEU  25          2HD1      LEU  25   6.368   0.549   0.549
  192   2HD1  LEU  25          3HD1      LEU  25   4.695   0.931   0.931
  193   3HD1  LEU  25          1HD1      LEU  25   5.654  -0.234  -0.234
  194   1HD2  LEU  25          2HD2      LEU  25   4.305   2.381   2.381
  195   2HD2  LEU  25          3HD2      LEU  25   5.733   2.745   2.745
  196   3HD2  LEU  25          1HD2      LEU  25   5.191   1.072   1.072
  197    H    ILE  26           H        ILE  26   6.338   5.387   5.387
  198    HA   ILE  26           HA       ILE  26   7.458   3.667   3.667
  199    HB   ILE  26           HB       ILE  26   5.899   6.210   6.210
  200   1HG1  ILE  26          1HG1      ILE  26   5.732   4.289   4.289
  201   2HG1  ILE  26          2HG1      ILE  26   5.188   3.735   3.735
  202   1HG2  ILE  26          2HG2      ILE  26   7.823   7.164   7.164
  203   2HG2  ILE  26          3HG2      ILE  26   7.689   5.817   5.817
  204   3HG2  ILE  26          1HG2      ILE  26   6.395   7.024   7.024
  205   1HD1  ILE  26          2HD1      ILE  26   3.551   5.642   5.642
  206   2HD1  ILE  26          3HD1      ILE  26   3.994   6.181   6.181
  207   3HD1  ILE  26          1HD1      ILE  26   3.246   4.593   4.593
  208    H    SER  27           H        SER  27   8.669   6.459   6.459
  209    HA   SER  27           HA       SER  27  10.970   6.853   6.853
  210   1HB   SER  27          1HB       SER  27  11.290   8.654   8.654
  211   2HB   SER  27          2HB       SER  27   9.972   8.129   8.129
  212    HG   SER  27           HG       SER  27  12.738   7.861   7.861
  213    H    ARG  28           H        ARG  28  10.518   5.015   5.015
  214    HA   ARG  28           HA       ARG  28  13.190   3.796   3.796
  215   1HB   ARG  28          1HB       ARG  28  11.719   3.701   3.701
  216   2HB   ARG  28          2HB       ARG  28  10.460   2.860   2.860
  217   1HG   ARG  28          1HG       ARG  28  12.550   1.022   1.022
  218   2HG   ARG  28          2HG       ARG  28  13.061   1.788   1.788
  219   1HD   ARG  28          1HD       ARG  28  10.639   1.342   1.342
  220   2HD   ARG  28          2HD       ARG  28  10.389   0.348   0.348
  221    HE   ARG  28           HE       ARG  28  11.947  -1.272  -1.272
  222   1HH1  ARG  28          2HH2      ARG  28  12.040   1.512   1.512
  223   2HH1  ARG  28          1HH2      ARG  28  13.031   0.626   0.626
  224   1HH2  ARG  28          1HH1      ARG  28  13.015  -2.166  -2.166
  225   2HH2  ARG  28          2HH1      ARG  28  13.565  -1.374  -1.374
  226    H    ILE  29           H        ILE  29  10.335   3.235   3.235
  227    HA   ILE  29           HA       ILE  29  11.083   0.398   0.398
  228    HB   ILE  29           HB       ILE  29   8.810   2.257   2.257
  229   1HG1  ILE  29          1HG1      ILE  29   7.763   0.978   0.978
  230   2HG1  ILE  29          2HG1      ILE  29   7.677  -0.268  -0.268
  231   1HG2  ILE  29          2HG2      ILE  29   9.447   1.355   1.355
  232   2HG2  ILE  29          3HG2      ILE  29   9.382  -0.310  -0.310
  233   3HG2  ILE  29          1HG2      ILE  29   7.917   0.688   0.688
  234   1HD1  ILE  29          2HD1      ILE  29   9.808  -1.336  -1.336
  235   2HD1  ILE  29          3HD1      ILE  29   9.879  -0.157  -0.157
  236   3HD1  ILE  29          1HD1      ILE  29   8.525  -1.295  -1.295
  237    H    LYS  30           H        LYS  30  11.455   3.528   3.528
  238    HA   LYS  30           HA       LYS  30  12.249   2.636   2.636
  239   1HB   LYS  30          1HB       LYS  30  12.703   5.124   5.124
  240   2HB   LYS  30          2HB       LYS  30  13.795   4.913   4.913
  241   1HG   LYS  30          1HG       LYS  30  11.459   6.241   6.241
  242   2HG   LYS  30          2HG       LYS  30  12.096   5.249   5.249
  243   1HD   LYS  30          1HD       LYS  30  10.493   3.485   3.485
  244   2HD   LYS  30          2HD       LYS  30   9.606   5.021   5.021
  245   1HE   LYS  30          1HE       LYS  30  10.783   3.844   3.844
  246   2HE   LYS  30          2HE       LYS  30   9.182   3.352   3.352
  247   1HZ   LYS  30          1HZ       LYS  30   9.909   6.216   6.216
  248   2HZ   LYS  30          2HZ       LYS  30   9.298   5.337   5.337
  249   3HZ   LYS  30          3HZ       LYS  30   8.379   5.525   5.525
  250    H    GLN  31           H        GLN  31  13.941   2.749   2.749
  251    HA   GLN  31           HA       GLN  31  16.562   2.172   2.172
  252   1HB   GLN  31          1HB       GLN  31  15.831   3.648   3.648
  253   2HB   GLN  31          2HB       GLN  31  16.383   2.148   2.148
  254   1HG   GLN  31          1HG       GLN  31  18.589   2.516   2.516
  255   2HG   GLN  31          2HG       GLN  31  18.019   4.162   4.162
  256   1HE2  GLN  31          2HE2      GLN  31  20.243   4.547   4.547
  257   2HE2  GLN  31          1HE2      GLN  31  20.035   4.713   4.713
  258    H    SER  32           H        SER  32  14.707   0.201   0.201
  259    HA   SER  32           HA       SER  32  16.209  -2.132  -2.132
  260   1HB   SER  32          1HB       SER  32  15.024  -1.394  -1.394
  261   2HB   SER  32          2HB       SER  32  13.506  -1.894  -1.894
  262    HG   SER  32           HG       SER  32  15.697  -3.417  -3.417
  263    H    GLU  33           H        GLU  33  15.476  -1.323  -1.323
  264    HA   GLU  33           HA       GLU  33  13.169  -3.229  -3.229
  265   1HB   GLU  33          1HB       GLU  33  13.534  -0.326  -0.326
  266   2HB   GLU  33          2HB       GLU  33  13.409  -1.136  -1.136
  267   1HG   GLU  33          1HG       GLU  33  11.215  -2.266  -2.266
  268   2HG   GLU  33          2HG       GLU  33  11.277  -0.684  -0.684
  269    H    LEU  34           H        LEU  34  16.076  -3.628  -3.628
  270    HA   LEU  34           HA       LEU  34  17.155  -3.376  -3.376
  271   1HB   LEU  34          1HB       LEU  34  18.897  -5.041  -5.041
  272   2HB   LEU  34          2HB       LEU  34  18.710  -3.688  -3.688
  273    HG   LEU  34           HG       LEU  34  17.154  -6.221  -6.221
  274   1HD1  LEU  34          2HD1      LEU  34  19.430  -7.067  -7.067
  275   2HD1  LEU  34          3HD1      LEU  34  20.203  -5.936  -5.936
  276   3HD1  LEU  34          1HD1      LEU  34  19.167  -7.250  -7.250
  277   1HD2  LEU  34          2HD2      LEU  34  18.655  -4.152  -4.152
  278   2HD2  LEU  34          3HD2      LEU  34  16.892  -4.299  -4.299
  279   3HD2  LEU  34          1HD2      LEU  34  17.781  -5.580  -5.580
  280    H    SER  35           H        SER  35  15.282  -5.838  -5.838
  281    HA   SER  35           HA       SER  35  14.479  -7.923  -7.923
  282   1HB   SER  35          1HB       SER  35  14.441  -6.218  -6.218
  283   2HB   SER  35          2HB       SER  35  14.047  -7.924  -7.924
  284    HG   SER  35           HG       SER  35  12.232  -7.607  -7.607
  285    H    ALA  36           H        ALA  36  17.310  -7.410  -7.410
  286    HA   ALA  36           HA       ALA  36  18.609  -8.775  -8.775
  287   1HB   ALA  36          2HB       ALA  36  19.791  -6.974  -6.974
  288   2HB   ALA  36          3HB       ALA  36  19.716  -7.961  -7.961
  289   3HB   ALA  36          1HB       ALA  36  20.709  -8.489  -8.489
  290    H    LYS  37           H        LYS  37  18.099  -9.525  -9.525
  291    HA   LYS  37           HA       LYS  37  17.711 -12.427 -12.427
  292   1HB   LYS  37          1HB       LYS  37  19.808 -12.789 -12.789
  293   2HB   LYS  37          2HB       LYS  37  19.743 -11.318 -11.318
  294   1HG   LYS  37          1HG       LYS  37  19.050 -12.496 -12.496
  295   2HG   LYS  37          2HG       LYS  37  17.688 -13.192 -13.192
  296   1HD   LYS  37          1HD       LYS  37  20.526 -14.306 -14.306
  297   2HD   LYS  37          2HD       LYS  37  19.600 -14.703 -14.703
  298   1HE   LYS  37          1HE       LYS  37  18.007 -14.952 -14.952
  299   2HE   LYS  37          2HE       LYS  37  19.350 -16.099 -16.099
  300   1HZ   LYS  37          3HZ       LYS  37  18.332 -16.191 -16.191
  301   2HZ   LYS  37          1HZ       LYS  37  16.941 -15.940 -15.940
  302   3HZ   LYS  37          2HZ       LYS  37  17.937 -17.254 -17.254
  303    H    MET  38           H        MET  38  17.317 -10.007 -10.007
  304    HA   MET  38           HA       MET  38  15.479 -11.642 -11.642
  305   1HB   MET  38          1HB       MET  38  16.724  -9.116  -9.116
  306   2HB   MET  38          2HB       MET  38  15.044  -8.659  -8.659
  307   1HG   MET  38          1HG       MET  38  15.306 -10.850 -10.850
  308   2HG   MET  38          2HG       MET  38  16.234  -9.395  -9.395
  309   1HE   MET  38          3HE       MET  38  15.252  -8.948  -8.948
  310   2HE   MET  38          2HE       MET  38  14.701  -7.296  -7.296
  311   3HE   MET  38          1HE       MET  38  13.572  -8.445  -8.445

  Start of MODEL   11
    1   1H    THR   1          1H        THR   1 -25.688  -7.665  -7.665
    2   2H    THR   1          2H        THR   1 -24.358  -8.355  -8.355
    3   3H    THR   1          3H        THR   1 -24.937  -9.010  -9.010
    4    HA   THR   1           HA       THR   1 -23.111  -7.883  -7.883
    5    HB   THR   1           HB       THR   1 -23.401  -6.524  -6.524
    6    HG1  THR   1           HG1      THR   1 -21.442  -5.595  -5.595
    7   1HG2  THR   1          3HG2      THR   1 -23.476  -4.384  -4.384
    8   2HG2  THR   1          1HG2      THR   1 -23.107  -4.072  -4.072
    9   3HG2  THR   1          2HG2      THR   1 -24.724  -4.601  -4.601
   10    HA   PRO   2           HA       PRO   2 -24.903  -5.708  -5.708
   11   1HB   PRO   2          1HB       PRO   2 -22.929  -3.496  -3.496
   12   2HB   PRO   2          2HB       PRO   2 -23.301  -4.371  -4.371
   13   1HG   PRO   2          1HG       PRO   2 -21.075  -5.024  -5.024
   14   2HG   PRO   2          2HG       PRO   2 -22.163  -6.255  -6.255
   15   1HD   PRO   2          1HD       PRO   2 -22.026  -5.176  -5.176
   16   2HD   PRO   2          2HD       PRO   2 -22.040  -6.932  -6.932
   17    H    ASP   3           H        ASP   3 -25.024  -3.152  -3.152
   18    HA   ASP   3           HA       ASP   3 -27.413  -2.263  -2.263
   19   1HB   ASP   3          1HB       ASP   3 -26.390  -1.456  -1.456
   20   2HB   ASP   3          2HB       ASP   3 -25.382  -0.369  -0.369
   21    H    VAL   4           H        VAL   4 -24.187  -1.965  -1.965
   22    HA   VAL   4           HA       VAL   4 -23.181  -0.530  -0.530
   23    HB   VAL   4           HB       VAL   4 -24.796  -2.200  -2.200
   24   1HG1  VAL   4          1HG2      VAL   4 -26.434   0.347   0.347
   25   2HG1  VAL   4          2HG2      VAL   4 -26.585  -1.222  -1.222
   26   3HG1  VAL   4          3HG2      VAL   4 -27.022  -1.094  -1.094
   27   1HG2  VAL   4          2HG1      VAL   4 -22.906  -1.016  -1.016
   28   2HG2  VAL   4          3HG1      VAL   4 -24.306  -1.270  -1.270
   29   3HG2  VAL   4          1HG1      VAL   4 -23.989   0.347   0.347
   30    H    SER   5           H        SER   5 -23.143   1.110   1.110
   31    HA   SER   5           HA       SER   5 -23.868   3.693   3.693
   32   1HB   SER   5          1HB       SER   5 -26.306   2.836   2.836
   33   2HB   SER   5          2HB       SER   5 -26.297   2.655   2.655
   34    HG   SER   5           HG       SER   5 -25.978   4.878   4.878
   35    H    SER   6           H        SER   6 -24.014   1.354   1.354
   36    HA   SER   6           HA       SER   6 -21.936   3.039   3.039
   37   1HB   SER   6          1HB       SER   6 -23.123   2.732   2.732
   38   2HB   SER   6          2HB       SER   6 -23.880   3.904   3.904
   39    HG   SER   6           HG       SER   6 -25.610   2.737   2.737
   40    H    ALA   7           H        ALA   7 -21.458   0.905   0.905
   41    HA   ALA   7           HA       ALA   7 -21.115  -1.318  -1.318
   42   1HB   ALA   7          2HB       ALA   7 -22.287  -1.983  -1.983
   43   2HB   ALA   7          3HB       ALA   7 -20.909  -1.397  -1.397
   44   3HB   ALA   7          1HB       ALA   7 -20.720  -2.806  -2.806
   45    H    LEU   8           H        LEU   8 -19.500   0.942   0.942
   46    HA   LEU   8           HA       LEU   8 -16.779  -0.087  -0.087
   47   1HB   LEU   8          1HB       LEU   8 -17.560   1.607   1.607
   48   2HB   LEU   8          2HB       LEU   8 -17.472   2.838   2.838
   49    HG   LEU   8           HG       LEU   8 -15.456   2.475   2.475
   50   1HD1  LEU   8          2HD1      LEU   8 -15.467   4.083   4.083
   51   2HD1  LEU   8          3HD1      LEU   8 -14.969   2.785   2.785
   52   3HD1  LEU   8          1HD1      LEU   8 -13.875   3.325   3.325
   53   1HD2  LEU   8          2HD2      LEU   8 -14.819   0.274   0.274
   54   2HD2  LEU   8          3HD2      LEU   8 -15.055   0.048   0.048
   55   3HD2  LEU   8          1HD2      LEU   8 -13.648   0.944   0.944
   56    H    ASP   9           H        ASP   9 -19.073   1.961   1.961
   57    HA   ASP   9           HA       ASP   9 -17.363   3.049   3.049
   58   1HB   ASP   9          1HB       ASP   9 -19.834   3.573   3.573
   59   2HB   ASP   9          2HB       ASP   9 -20.230   1.911   1.911
   60    H    LYS  10           H        LYS  10 -18.557  -0.199  -0.199
   61    HA   LYS  10           HA       LYS  10 -17.911  -1.147  -1.147
   62   1HB   LYS  10          1HB       LYS  10 -18.181  -2.498  -2.498
   63   2HB   LYS  10          2HB       LYS  10 -17.567  -3.450  -3.450
   64   1HG   LYS  10          1HG       LYS  10 -20.096  -1.864  -1.864
   65   2HG   LYS  10          2HG       LYS  10 -20.271  -3.126  -3.126
   66   1HD   LYS  10          1HD       LYS  10 -18.802  -3.987  -3.987
   67   2HD   LYS  10          2HD       LYS  10 -20.443  -3.393  -3.393
   68   1HE   LYS  10          1HE       LYS  10 -21.117  -4.907  -4.907
   69   2HE   LYS  10          2HE       LYS  10 -19.604  -5.758  -5.758
   70   1HZ   LYS  10          2HZ       LYS  10 -20.535  -5.671  -5.671
   71   2HZ   LYS  10          3HZ       LYS  10 -22.015  -5.542  -5.542
   72   3HZ   LYS  10          1HZ       LYS  10 -21.018  -6.864  -6.864
   73    H    LEU  11           H        LEU  11 -15.958  -0.855  -0.855
   74    HA   LEU  11           HA       LEU  11 -13.652  -2.113  -2.113
   75   1HB   LEU  11          1HB       LEU  11 -14.326  -1.769  -1.769
   76   2HB   LEU  11          2HB       LEU  11 -12.635  -1.896  -1.896
   77    HG   LEU  11           HG       LEU  11 -13.005  -4.107  -4.107
   78   1HD1  LEU  11          2HD1      LEU  11 -12.411  -4.037  -4.037
   79   2HD1  LEU  11          3HD1      LEU  11 -14.136  -4.008  -4.008
   80   3HD1  LEU  11          1HD1      LEU  11 -13.439  -5.436  -5.436
   81   1HD2  LEU  11          2HD2      LEU  11 -15.957  -3.818  -3.818
   82   2HD2  LEU  11          3HD2      LEU  11 -15.359  -3.909  -3.909
   83   3HD2  LEU  11          1HD2      LEU  11 -15.221  -5.321  -5.321
   84    H    LYS  12           H        LYS  12 -14.736   0.852   0.852
   85    HA   LYS  12           HA       LYS  12 -12.554   2.520   2.520
   86   1HB   LYS  12          1HB       LYS  12 -14.850   3.037   3.037
   87   2HB   LYS  12          2HB       LYS  12 -13.905   2.858   2.858
   88   1HG   LYS  12          1HG       LYS  12 -13.792   5.221   5.221
   89   2HG   LYS  12          2HG       LYS  12 -12.238   4.621   4.621
   90   1HD   LYS  12          1HD       LYS  12 -13.598   4.443   4.443
   91   2HD   LYS  12          2HD       LYS  12 -14.691   5.592   5.592
   92   1HE   LYS  12          1HE       LYS  12 -12.634   7.060   7.060
   93   2HE   LYS  12          2HE       LYS  12 -11.632   5.987   5.987
   94   1HZ   LYS  12          2HZ       LYS  12 -13.558   6.422   6.422
   95   2HZ   LYS  12          3HZ       LYS  12 -13.732   7.839   7.839
   96   3HZ   LYS  12          1HZ       LYS  12 -12.256   7.473   7.473
   97    H    GLU  13           H        GLU  13 -12.781   1.749   1.749
   98    HA   GLU  13           HA       GLU  13 -10.151   1.784   1.784
   99   1HB   GLU  13          1HB       GLU  13 -11.999   1.031   1.031
  100   2HB   GLU  13          2HB       GLU  13 -12.246  -0.421  -0.421
  101   1HG   GLU  13          1HG       GLU  13 -10.903  -1.558  -1.558
  102   2HG   GLU  13          2HG       GLU  13  -9.521  -0.659  -0.659
  103    H    PHE  14           H        PHE  14 -11.392  -1.362  -1.362
  104    HA   PHE  14           HA       PHE  14  -8.958  -2.738  -2.738
  105   1HB   PHE  14          1HB       PHE  14 -11.043  -3.912  -3.912
  106   2HB   PHE  14          2HB       PHE  14 -11.332  -2.987  -2.987
  107    HD1  PHE  14           HD2      PHE  14  -9.245  -5.741  -5.741
  108    HD2  PHE  14           HD1      PHE  14 -10.445  -3.679  -3.679
  109    HE1  PHE  14           HE2      PHE  14  -8.395  -7.606  -7.606
  110    HE2  PHE  14           HE1      PHE  14  -9.598  -5.544  -5.544
  111    HZ   PHE  14           HZ       PHE  14  -8.595  -7.524  -7.524
  112    H    GLY  15           H        GLY  15  -9.491  -0.217  -0.217
  113   1HA   GLY  15          1HA       GLY  15  -7.223  -1.343  -1.343
  114   2HA   GLY  15          2HA       GLY  15  -8.302  -0.010  -0.010
  115    H    ASN  16           H        ASN  16  -8.269   1.509   1.509
  116    HA   ASN  16           HA       ASN  16  -5.910   3.111   3.111
  117   1HB   ASN  16          1HB       ASN  16  -7.876   3.946   3.946
  118   2HB   ASN  16          2HB       ASN  16  -7.806   2.651   2.651
  119   1HD2  ASN  16          1HD2      ASN  16  -6.284   5.134   5.134
  120   2HD2  ASN  16          2HD2      ASN  16  -7.743   4.037   4.037
  121    H    THR  17           H        THR  17  -6.374   0.180   0.180
  122    HA   THR  17           HA       THR  17  -4.148   0.526   0.526
  123    HB   THR  17           HB       THR  17  -5.118  -2.159  -2.159
  124    HG1  THR  17           HG1      THR  17  -6.580  -2.136  -2.136
  125   1HG2  THR  17          3HG2      THR  17  -3.992  -1.555  -1.555
  126   2HG2  THR  17          1HG2      THR  17  -4.632  -3.125  -3.125
  127   3HG2  THR  17          2HG2      THR  17  -3.151  -2.489  -2.489
  128    H    LEU  18           H        LEU  18  -4.293  -0.815  -0.815
  129    HA   LEU  18           HA       LEU  18  -1.479  -1.672  -1.672
  130   1HB   LEU  18          1HB       LEU  18  -2.964  -0.699  -0.699
  131   2HB   LEU  18          2HB       LEU  18  -1.740  -1.948  -1.948
  132    HG   LEU  18           HG       LEU  18  -4.711  -2.106  -2.106
  133   1HD1  LEU  18          3HD2      LEU  18  -3.784  -2.794  -2.794
  134   2HD1  LEU  18          1HD2      LEU  18  -2.887  -4.095  -4.095
  135   3HD1  LEU  18          2HD2      LEU  18  -4.672  -4.091  -4.091
  136   1HD2  LEU  18          2HD1      LEU  18  -3.463  -2.985  -2.985
  137   2HD2  LEU  18          3HD1      LEU  18  -4.379  -4.265  -4.265
  138   3HD2  LEU  18          1HD1      LEU  18  -2.614  -4.145  -4.145
  139    H    GLU  19           H        GLU  19  -3.056   1.371   1.371
  140    HA   GLU  19           HA       GLU  19  -0.430   2.485   2.485
  141   1HB   GLU  19          1HB       GLU  19  -2.822   2.781   2.781
  142   2HB   GLU  19          2HB       GLU  19  -3.177   3.881   3.881
  143   1HG   GLU  19          1HG       GLU  19  -1.310   5.432   5.432
  144   2HG   GLU  19          2HG       GLU  19  -0.878   4.322   4.322
  145    H    ASP  20           H        ASP  20  -0.981   1.818   1.818
  146    HA   ASP  20           HA       ASP  20   0.033   4.521   4.521
  147   1HB   ASP  20          1HB       ASP  20  -2.538   3.503   3.503
  148   2HB   ASP  20          2HB       ASP  20  -1.539   2.990   2.990
  149    H    LYS  21           H        LYS  21  -0.344   1.097   1.097
  150    HA   LYS  21           HA       LYS  21   2.119   1.178   1.178
  151   1HB   LYS  21          1HB       LYS  21   1.402  -0.901  -0.901
  152   2HB   LYS  21          2HB       LYS  21  -0.086  -0.532  -0.532
  153   1HG   LYS  21          1HG       LYS  21   1.654  -1.585  -1.585
  154   2HG   LYS  21          2HG       LYS  21   2.022  -2.557  -2.557
  155   1HD   LYS  21          1HD       LYS  21  -0.072  -3.592  -3.592
  156   2HD   LYS  21          2HD       LYS  21  -0.915  -2.115  -2.115
  157   1HE   LYS  21          1HE       LYS  21  -0.828  -2.760  -2.760
  158   2HE   LYS  21          2HE       LYS  21   0.941  -2.813  -2.813
  159   1HZ   LYS  21          1HZ       LYS  21   0.476  -5.042  -5.042
  160   2HZ   LYS  21          2HZ       LYS  21  -0.977  -4.982  -4.982
  161   3HZ   LYS  21          3HZ       LYS  21   0.482  -4.980  -4.980
  162    H    ALA  22           H        ALA  22   1.361   0.672   0.672
  163    HA   ALA  22           HA       ALA  22   4.172  -0.291  -0.291
  164   1HB   ALA  22          2HB       ALA  22   2.222  -1.129  -1.129
  165   2HB   ALA  22          3HB       ALA  22   1.847   0.530   0.530
  166   3HB   ALA  22          1HB       ALA  22   3.361  -0.252  -0.252
  167    H    ARG  23           H        ARG  23   2.346   2.669   2.669
  168    HA   ARG  23           HA       ARG  23   4.334   4.079   4.079
  169   1HB   ARG  23          1HB       ARG  23   2.300   5.155   5.155
  170   2HB   ARG  23          2HB       ARG  23   1.659   4.600   4.600
  171   1HG   ARG  23          1HG       ARG  23   3.638   6.995   6.995
  172   2HG   ARG  23          2HG       ARG  23   1.886   7.169   7.169
  173   1HD   ARG  23          1HD       ARG  23   2.262   5.623   5.623
  174   2HD   ARG  23          2HD       ARG  23   3.751   6.599   6.599
  175    HE   ARG  23           HE       ARG  23   1.097   7.987   7.987
  176   1HH1  ARG  23          2HH2      ARG  23   3.817   7.533   7.533
  177   2HH1  ARG  23          1HH2      ARG  23   3.361   8.994   8.994
  178   1HH2  ARG  23          1HH1      ARG  23   0.667   9.550   9.550
  179   2HH2  ARG  23          2HH1      ARG  23   1.650  10.094  10.094
  180    H    GLU  24           H        GLU  24   3.806   3.653   3.653
  181    HA   GLU  24           HA       GLU  24   5.950   5.649   5.649
  182   1HB   GLU  24          1HB       GLU  24   4.872   3.345   3.345
  183   2HB   GLU  24          2HB       GLU  24   5.706   4.776   4.776
  184   1HG   GLU  24          1HG       GLU  24   3.773   6.176   6.176
  185   2HG   GLU  24          2HG       GLU  24   3.055   5.202   5.202
  186    H    LEU  25           H        LEU  25   5.603   2.163   2.163
  187    HA   LEU  25           HA       LEU  25   8.358   1.536   1.536
  188   1HB   LEU  25          1HB       LEU  25   7.058  -0.404  -0.404
  189   2HB   LEU  25          2HB       LEU  25   6.068   0.098   0.098
  190    HG   LEU  25           HG       LEU  25   8.944  -0.832  -0.832
  191   1HD1  LEU  25          2HD1      LEU  25   7.847  -2.590  -2.590
  192   2HD1  LEU  25          3HD1      LEU  25   6.475  -2.679  -2.679
  193   3HD1  LEU  25          1HD1      LEU  25   8.102  -3.179  -3.179
  194   1HD2  LEU  25          2HD2      LEU  25   6.386  -0.929  -0.929
  195   2HD2  LEU  25          3HD2      LEU  25   7.799   0.130   0.130
  196   3HD2  LEU  25          1HD2      LEU  25   7.968  -1.613  -1.613
  197    H    ILE  26           H        ILE  26   7.070   2.801   2.801
  198    HA   ILE  26           HA       ILE  26   9.301   1.898   1.898
  199    HB   ILE  26           HB       ILE  26   7.000   3.835   3.835
  200   1HG1  ILE  26          1HG1      ILE  26   8.065   2.080   2.080
  201   2HG1  ILE  26          2HG1      ILE  26   7.193   1.350   1.350
  202   1HG2  ILE  26          2HG2      ILE  26   8.862   5.385   5.385
  203   2HG2  ILE  26          3HG2      ILE  26   9.431   4.151   4.151
  204   3HG2  ILE  26          1HG2      ILE  26   7.852   4.939   4.939
  205   1HD1  ILE  26          2HD1      ILE  26   5.174   2.805   2.805
  206   2HD1  ILE  26          3HD1      ILE  26   5.982   3.498   3.498
  207   3HD1  ILE  26          1HD1      ILE  26   5.597   1.770   1.770
  208    H    SER  27           H        SER  27   8.831   4.616   4.616
  209    HA   SER  27           HA       SER  27  11.411   5.869   5.869
  210   1HB   SER  27          1HB       SER  27  10.027   7.461   7.461
  211   2HB   SER  27          2HB       SER  27   9.395   6.346   6.346
  212    HG   SER  27           HG       SER  27  11.096   8.083   8.083
  213    H    ARG  28           H        ARG  28  10.383   3.489   3.489
  214    HA   ARG  28           HA       ARG  28  13.060   3.201   3.201
  215   1HB   ARG  28          1HB       ARG  28  11.050   2.292   2.292
  216   2HB   ARG  28          2HB       ARG  28  10.617   1.321   1.321
  217   1HG   ARG  28          1HG       ARG  28  13.171   0.271   0.271
  218   2HG   ARG  28          2HG       ARG  28  12.665   0.790   0.790
  219   1HD   ARG  28          1HD       ARG  28  10.379  -0.494  -0.494
  220   2HD   ARG  28          2HD       ARG  28  11.365  -1.278  -1.278
  221    HE   ARG  28           HE       ARG  28  11.556  -1.703  -1.703
  222   1HH1  ARG  28          2HH2      ARG  28  13.464  -1.778  -1.778
  223   2HH1  ARG  28          1HH2      ARG  28  14.683  -2.951  -2.951
  224   1HH2  ARG  28          1HH1      ARG  28  12.913  -2.971  -2.971
  225   2HH2  ARG  28          2HH1      ARG  28  14.389  -3.603  -3.603
  226    H    ILE  29           H        ILE  29  11.703   2.266   2.266
  227    HA   ILE  29           HA       ILE  29  13.709   0.050   0.050
  228    HB   ILE  29           HB       ILE  29  11.365   1.154   1.154
  229   1HG1  ILE  29          1HG1      ILE  29  10.398  -0.696  -0.696
  230   2HG1  ILE  29          2HG1      ILE  29  11.264  -1.602  -1.602
  231   1HG2  ILE  29          2HG2      ILE  29  13.163   1.019   1.019
  232   2HG2  ILE  29          3HG2      ILE  29  13.516  -0.663  -0.663
  233   3HG2  ILE  29          1HG2      ILE  29  11.957  -0.215  -0.215
  234   1HD1  ILE  29          2HD1      ILE  29  13.174  -2.067  -2.067
  235   2HD1  ILE  29          3HD1      ILE  29  12.282  -1.248  -1.248
  236   3HD1  ILE  29          1HD1      ILE  29  11.618  -2.714  -2.714
  237    H    LYS  30           H        LYS  30  13.164   3.354   3.354
  238    HA   LYS  30           HA       LYS  30  15.378   3.427   3.427
  239   1HB   LYS  30          1HB       LYS  30  15.150   5.955   5.955
  240   2HB   LYS  30          2HB       LYS  30  13.630   5.151   5.151
  241   1HG   LYS  30          1HG       LYS  30  12.914   6.549   6.549
  242   2HG   LYS  30          2HG       LYS  30  13.345   5.122   5.122
  243   1HD   LYS  30          1HD       LYS  30  14.255   7.044   7.044
  244   2HD   LYS  30          2HD       LYS  30  15.653   6.252   6.252
  245   1HE   LYS  30          1HE       LYS  30  15.710   7.844   7.844
  246   2HE   LYS  30          2HE       LYS  30  14.110   8.496   8.496
  247   1HZ   LYS  30          1HZ       LYS  30  15.187   9.032   9.032
  248   2HZ   LYS  30          2HZ       LYS  30  16.644   8.884   8.884
  249   3HZ   LYS  30          3HZ       LYS  30  15.506  10.018  10.018
  250    H    GLN  31           H        GLN  31  15.090   4.162   4.162
  251    HA   GLN  31           HA       GLN  31  18.071   4.638   4.638
  252   1HB   GLN  31          1HB       GLN  31  15.837   5.589   5.589
  253   2HB   GLN  31          2HB       GLN  31  16.447   4.361   4.361
  254   1HG   GLN  31          1HG       GLN  31  18.794   5.573   5.573
  255   2HG   GLN  31          2HG       GLN  31  17.973   6.862   6.862
  256   1HE2  GLN  31          2HE2      GLN  31  16.307   7.655   7.655
  257   2HE2  GLN  31          1HE2      GLN  31  15.653   7.002   7.002
  258    H    SER  32           H        SER  32  17.658   2.217   2.217
  259    HA   SER  32           HA       SER  32  18.955   0.459   0.459
  260   1HB   SER  32          1HB       SER  32  16.376   0.604   0.604
  261   2HB   SER  32          2HB       SER  32  16.100  -0.533  -0.533
  262    HG   SER  32           HG       SER  32  18.261  -1.270  -1.270
  263    H    GLU  33           H        GLU  33  19.944   0.970   0.970
  264    HA   GLU  33           HA       GLU  33  19.094  -1.294  -1.294
  265   1HB   GLU  33          1HB       GLU  33  19.261   1.634   1.634
  266   2HB   GLU  33          2HB       GLU  33  20.386   0.853   0.853
  267   1HG   GLU  33          1HG       GLU  33  17.911  -0.636  -0.636
  268   2HG   GLU  33          2HG       GLU  33  17.417   1.035   1.035
  269    H    LEU  34           H        LEU  34  21.135  -1.161  -1.161
  270    HA   LEU  34           HA       LEU  34  23.500  -1.823  -1.823
  271   1HB   LEU  34          1HB       LEU  34  24.808  -1.922  -1.922
  272   2HB   LEU  34          2HB       LEU  34  24.329  -0.339  -0.339
  273    HG   LEU  34           HG       LEU  34  22.628  -1.823  -1.823
  274   1HD1  LEU  34          2HD1      LEU  34  24.989  -1.768  -1.768
  275   2HD1  LEU  34          3HD1      LEU  34  25.071  -0.010  -0.010
  276   3HD1  LEU  34          1HD1      LEU  34  23.948  -0.679  -0.679
  277   1HD2  LEU  34          2HD2      LEU  34  22.996   1.190   1.190
  278   2HD2  LEU  34          3HD2      LEU  34  21.553   0.198   0.198
  279   3HD2  LEU  34          1HD2      LEU  34  22.017   0.541   0.541
  280    H    SER  35           H        SER  35  21.583  -3.030  -3.030
  281    HA   SER  35           HA       SER  35  21.494  -5.217  -5.217
  282   1HB   SER  35          1HB       SER  35  20.654  -5.355  -5.355
  283   2HB   SER  35          2HB       SER  35  21.915  -6.577  -6.577
  284    HG   SER  35           HG       SER  35  19.793  -7.337  -7.337
  285    H    ALA  36           H        ALA  36  24.027  -3.968  -3.968
  286    HA   ALA  36           HA       ALA  36  26.172  -4.638  -4.638
  287   1HB   ALA  36          2HB       ALA  36  24.794  -6.101  -6.101
  288   2HB   ALA  36          3HB       ALA  36  24.755  -7.391  -7.391
  289   3HB   ALA  36          1HB       ALA  36  26.293  -6.937  -6.937
  290    H    LYS  37           H        LYS  37  26.085  -4.284  -4.284
  291    HA   LYS  37           HA       LYS  37  27.621  -4.654  -4.654
  292   1HB   LYS  37          1HB       LYS  37  28.990  -5.617  -5.617
  293   2HB   LYS  37          2HB       LYS  37  28.885  -7.103  -7.103
  294   1HG   LYS  37          1HG       LYS  37  29.996  -5.954  -5.954
  295   2HG   LYS  37          2HG       LYS  37  30.015  -4.428  -4.428
  296   1HD   LYS  37          1HD       LYS  37  32.130  -5.058  -5.058
  297   2HD   LYS  37          2HD       LYS  37  31.360  -6.190  -6.190
  298   1HE   LYS  37          1HE       LYS  37  31.194  -7.900  -7.900
  299   2HE   LYS  37          2HE       LYS  37  32.237  -6.819  -6.819
  300   1HZ   LYS  37          3HZ       LYS  37  33.114  -7.470  -7.470
  301   2HZ   LYS  37          1HZ       LYS  37  33.211  -8.683  -8.683
  302   3HZ   LYS  37          2HZ       LYS  37  34.014  -7.225  -7.225
  303    H    MET  38           H        MET  38  25.050  -5.900  -5.900
  304    HA   MET  38           HA       MET  38  25.441  -8.432  -8.432
  305   1HB   MET  38          1HB       MET  38  23.273  -7.240  -7.240
  306   2HB   MET  38          2HB       MET  38  22.735  -7.218  -7.218
  307   1HG   MET  38          1HG       MET  38  23.885  -9.883  -9.883
  308   2HG   MET  38          2HG       MET  38  22.492  -9.386  -9.386
  309   1HE   MET  38          1HE       MET  38  23.736 -11.195 -11.195
  310   2HE   MET  38          3HE       MET  38  22.423 -11.516 -11.516
  311   3HE   MET  38          2HE       MET  38  23.561 -10.164 -10.164

  Start of MODEL   12
    1   1H    THR   1          1H        THR   1 -15.220 -13.367 -13.367
    2   2H    THR   1          2H        THR   1 -15.396 -12.400 -12.400
    3   3H    THR   1          3H        THR   1 -13.861 -12.744 -12.744
    4    HA   THR   1           HA       THR   1 -14.291 -11.558 -11.558
    5    HB   THR   1           HB       THR   1 -15.156  -9.635  -9.635
    6    HG1  THR   1           HG1      THR   1 -13.073  -9.723  -9.723
    7   1HG2  THR   1          3HG2      THR   1 -12.783  -9.482  -9.482
    8   2HG2  THR   1          1HG2      THR   1 -13.230  -8.221  -8.221
    9   3HG2  THR   1          2HG2      THR   1 -14.318  -8.597  -8.597
   10    HA   PRO   2           HA       PRO   2 -18.395 -10.787 -10.787
   11   1HB   PRO   2          1HB       PRO   2 -17.238  -8.083  -8.083
   12   2HB   PRO   2          2HB       PRO   2 -18.168  -9.333  -9.333
   13   1HG   PRO   2          1HG       PRO   2 -15.368  -9.044  -9.044
   14   2HG   PRO   2          2HG       PRO   2 -16.319 -10.672 -10.672
   15   1HD   PRO   2          1HD       PRO   2 -14.919  -9.076  -9.076
   16   2HD   PRO   2          2HD       PRO   2 -14.662 -10.838 -10.838
   17    H    ASP   3           H        ASP   3 -19.622  -8.397  -8.397
   18    HA   ASP   3           HA       ASP   3 -20.661  -7.733  -7.733
   19   1HB   ASP   3          1HB       ASP   3 -22.046  -7.232  -7.232
   20   2HB   ASP   3          2HB       ASP   3 -20.775  -6.264  -6.264
   21    H    VAL   4           H        VAL   4 -19.221  -7.320  -7.320
   22    HA   VAL   4           HA       VAL   4 -16.915  -5.497  -5.497
   23    HB   VAL   4           HB       VAL   4 -16.496  -7.399  -7.399
   24   1HG1  VAL   4          1HG2      VAL   4 -18.658  -6.408  -6.408
   25   2HG1  VAL   4          2HG2      VAL   4 -17.516  -7.745  -7.745
   26   3HG1  VAL   4          3HG2      VAL   4 -18.730  -7.897  -7.897
   27   1HG2  VAL   4          2HG1      VAL   4 -15.232  -5.310  -5.310
   28   2HG2  VAL   4          3HG1      VAL   4 -15.521  -6.389  -6.389
   29   3HG2  VAL   4          1HG1      VAL   4 -16.508  -4.917  -4.917
   30    H    SER   5           H        SER   5 -17.643  -3.590  -3.590
   31    HA   SER   5           HA       SER   5 -18.128  -1.517  -1.517
   32   1HB   SER   5          1HB       SER   5 -20.166  -1.610  -1.610
   33   2HB   SER   5          2HB       SER   5 -20.323  -3.272  -3.272
   34    HG   SER   5           HG       SER   5 -21.723  -1.121  -1.121
   35    H    SER   6           H        SER   6 -19.867  -2.985  -2.985
   36    HA   SER   6           HA       SER   6 -18.901  -0.589  -0.589
   37   1HB   SER   6          1HB       SER   6 -21.522  -1.881  -1.881
   38   2HB   SER   6          2HB       SER   6 -21.004  -0.217  -0.217
   39    HG   SER   6           HG       SER   6 -21.561   0.238   0.238
   40    H    ALA   7           H        ALA   7 -17.395  -2.694  -2.694
   41    HA   ALA   7           HA       ALA   7 -17.816  -4.132  -4.132
   42   1HB   ALA   7          2HB       ALA   7 -17.637  -5.668  -5.668
   43   2HB   ALA   7          3HB       ALA   7 -16.077  -4.937  -4.937
   44   3HB   ALA   7          1HB       ALA   7 -16.225  -5.885  -5.885
   45    H    LEU   8           H        LEU   8 -15.793  -2.071  -2.071
   46    HA   LEU   8           HA       LEU   8 -13.601  -1.971  -1.971
   47   1HB   LEU   8          1HB       LEU   8 -13.478  -1.191  -1.191
   48   2HB   LEU   8          2HB       LEU   8 -14.439   0.203   0.203
   49    HG   LEU   8           HG       LEU   8 -12.652   1.075   1.075
   50   1HD1  LEU   8          2HD1      LEU   8 -11.776  -1.113  -1.113
   51   2HD1  LEU   8          3HD1      LEU   8 -11.058  -1.482  -1.482
   52   3HD1  LEU   8          1HD1      LEU   8 -10.458  -0.108  -0.108
   53   1HD2  LEU   8          2HD2      LEU   8 -11.553   0.193   0.193
   54   2HD2  LEU   8          3HD2      LEU   8 -12.434   1.697   1.697
   55   3HD2  LEU   8          1HD2      LEU   8 -10.819   1.445   1.445
   56    H    ASP   9           H        ASP   9 -16.692  -0.442  -0.442
   57    HA   ASP   9           HA       ASP   9 -16.368   1.668   1.668
   58   1HB   ASP   9          1HB       ASP   9 -18.491   1.267   1.267
   59   2HB   ASP   9          2HB       ASP   9 -18.853  -0.138  -0.138
   60    H    LYS  10           H        LYS  10 -16.860  -1.752  -1.752
   61    HA   LYS  10           HA       LYS  10 -17.280  -1.760  -1.760
   62   1HB   LYS  10          1HB       LYS  10 -16.379  -3.654  -3.654
   63   2HB   LYS  10          2HB       LYS  10 -15.234  -3.770  -3.770
   64   1HG   LYS  10          1HG       LYS  10 -18.295  -3.877  -3.877
   65   2HG   LYS  10          2HG       LYS  10 -17.369  -5.316  -5.316
   66   1HD   LYS  10          1HD       LYS  10 -15.960  -4.906  -4.906
   67   2HD   LYS  10          2HD       LYS  10 -16.970  -3.494  -3.494
   68   1HE   LYS  10          1HE       LYS  10 -18.376  -6.164  -6.164
   69   2HE   LYS  10          2HE       LYS  10 -17.628  -5.944  -5.944
   70   1HZ   LYS  10          1HZ       LYS  10 -19.131  -3.640  -3.640
   71   2HZ   LYS  10          2HZ       LYS  10 -20.063  -5.029  -5.029
   72   3HZ   LYS  10          3HZ       LYS  10 -19.154  -4.456  -4.456
   73    H    LEU  11           H        LEU  11 -14.205  -1.567  -1.567
   74    HA   LEU  11           HA       LEU  11 -12.729  -0.838  -0.838
   75   1HB   LEU  11          1HB       LEU  11 -11.958  -0.458  -0.458
   76   2HB   LEU  11          2HB       LEU  11 -10.872  -0.202  -0.202
   77    HG   LEU  11           HG       LEU  11 -12.116  -2.864  -2.864
   78   1HD1  LEU  11          2HD1      LEU  11 -10.203  -2.016  -2.016
   79   2HD1  LEU  11          3HD1      LEU  11  -9.177  -1.882  -1.882
   80   3HD1  LEU  11          1HD1      LEU  11  -9.737  -3.477  -3.477
   81   1HD2  LEU  11          2HD2      LEU  11 -10.293  -2.364  -2.364
   82   2HD2  LEU  11          3HD2      LEU  11 -11.968  -2.969  -2.969
   83   3HD2  LEU  11          1HD2      LEU  11 -10.686  -3.972  -3.972
   84    H    LYS  12           H        LYS  12 -12.766   1.252   1.252
   85    HA   LYS  12           HA       LYS  12 -12.676   3.633   3.633
   86   1HB   LYS  12          1HB       LYS  12 -15.168   3.068   3.068
   87   2HB   LYS  12          2HB       LYS  12 -14.781   3.448   3.448
   88   1HG   LYS  12          1HG       LYS  12 -15.733   5.480   5.480
   89   2HG   LYS  12          2HG       LYS  12 -14.014   5.790   5.790
   90   1HD   LYS  12          1HD       LYS  12 -15.140   6.535   6.535
   91   2HD   LYS  12          2HD       LYS  12 -13.595   5.673   5.673
   92   1HE   LYS  12          1HE       LYS  12 -15.617   3.599   3.599
   93   2HE   LYS  12          2HE       LYS  12 -16.267   4.816   4.816
   94   1HZ   LYS  12          1HZ       LYS  12 -13.429   4.170   4.170
   95   2HZ   LYS  12          2HZ       LYS  12 -14.538   2.995   2.995
   96   3HZ   LYS  12          3HZ       LYS  12 -14.589   4.525   4.525
   97    H    GLU  13           H        GLU  13 -13.563   3.894   3.894
   98    HA   GLU  13           HA       GLU  13 -11.339   5.123   5.123
   99   1HB   GLU  13          1HB       GLU  13 -13.476   3.959   3.959
  100   2HB   GLU  13          2HB       GLU  13 -12.450   2.564   2.564
  101   1HG   GLU  13          1HG       GLU  13 -11.494   3.453   3.453
  102   2HG   GLU  13          2HG       GLU  13 -11.116   4.978   4.978
  103    H    PHE  14           H        PHE  14 -11.366   1.551   1.551
  104    HA   PHE  14           HA       PHE  14  -8.775   1.059   1.059
  105   1HB   PHE  14          1HB       PHE  14 -10.514  -0.762  -0.762
  106   2HB   PHE  14          2HB       PHE  14  -9.736  -0.485  -0.485
  107    HD1  PHE  14           HD2      PHE  14  -7.953  -0.588  -0.588
  108    HD2  PHE  14           HD1      PHE  14  -8.844  -2.638  -2.638
  109    HE1  PHE  14           HE2      PHE  14  -6.409  -2.403  -2.403
  110    HE2  PHE  14           HE1      PHE  14  -7.305  -4.446  -4.446
  111    HZ   PHE  14           HZ       PHE  14  -6.115  -4.356  -4.356
  112    H    GLY  15           H        GLY  15  -9.308   2.786   2.786
  113   1HA   GLY  15          1HA       GLY  15  -6.454   2.099   2.099
  114   2HA   GLY  15          2HA       GLY  15  -7.723   2.769   2.769
  115    H    ASN  16           H        ASN  16  -8.744   4.702   4.702
  116    HA   ASN  16           HA       ASN  16  -7.092   6.998   6.998
  117   1HB   ASN  16          1HB       ASN  16  -9.544   6.789   6.789
  118   2HB   ASN  16          2HB       ASN  16  -8.839   6.489   6.489
  119   1HD2  ASN  16          1HD2      ASN  16  -9.580  10.061  10.061
  120   2HD2  ASN  16          2HD2      ASN  16 -10.536   8.481   8.481
  121    H    THR  17           H        THR  17  -7.089   4.709   4.709
  122    HA   THR  17           HA       THR  17  -5.134   6.335   6.335
  123    HB   THR  17           HB       THR  17  -6.084   3.410   3.410
  124    HG1  THR  17           HG1      THR  17  -7.354   4.329   4.329
  125   1HG2  THR  17          3HG2      THR  17  -4.648   5.178   5.178
  126   2HG2  THR  17          1HG2      THR  17  -5.379   3.583   3.583
  127   3HG2  THR  17          2HG2      THR  17  -3.969   3.709   3.709
  128    H    LEU  18           H        LEU  18  -4.959   3.521   3.521
  129    HA   LEU  18           HA       LEU  18  -2.091   3.046   3.046
  130   1HB   LEU  18          1HB       LEU  18  -2.995   1.047   1.047
  131   2HB   LEU  18          2HB       LEU  18  -4.219   1.843   1.843
  132    HG   LEU  18           HG       LEU  18  -2.051   2.327   2.327
  133   1HD1  LEU  18          2HD1      LEU  18  -0.438   1.179   1.179
  134   2HD1  LEU  18          3HD1      LEU  18  -1.378  -0.330  -0.330
  135   3HD1  LEU  18          1HD1      LEU  18  -0.557   0.318   0.318
  136   1HD2  LEU  18          2HD2      LEU  18  -3.710  -0.290  -0.290
  137   2HD2  LEU  18          3HD2      LEU  18  -4.123   1.204   1.204
  138   3HD2  LEU  18          1HD2      LEU  18  -2.730   0.248   0.248
  139    H    GLU  19           H        GLU  19  -3.712   5.218   5.218
  140    HA   GLU  19           HA       GLU  19  -1.161   5.661   5.661
  141   1HB   GLU  19          1HB       GLU  19  -3.704   5.755   5.755
  142   2HB   GLU  19          2HB       GLU  19  -3.743   7.340   7.340
  143   1HG   GLU  19          1HG       GLU  19  -3.085   8.101   8.101
  144   2HG   GLU  19          2HG       GLU  19  -1.471   7.638   7.638
  145    H    ASP  20           H        ASP  20  -1.718   6.257   6.257
  146    HA   ASP  20           HA       ASP  20  -0.267   8.925   8.925
  147   1HB   ASP  20          1HB       ASP  20  -2.669   8.863   8.863
  148   2HB   ASP  20          2HB       ASP  20  -1.802   8.100   8.100
  149    H    LYS  21           H        LYS  21  -0.574   5.903   5.903
  150    HA   LYS  21           HA       LYS  21   2.001   6.430   6.430
  151   1HB   LYS  21          1HB       LYS  21   0.381   3.795   3.795
  152   2HB   LYS  21          2HB       LYS  21   1.563   4.239   4.239
  153   1HG   LYS  21          1HG       LYS  21  -0.014   5.422   5.422
  154   2HG   LYS  21          2HG       LYS  21  -0.570   6.310   6.310
  155   1HD   LYS  21          1HD       LYS  21  -2.202   4.720   4.720
  156   2HD   LYS  21          2HD       LYS  21  -2.296   4.733   4.733
  157   1HE   LYS  21          1HE       LYS  21  -1.198   2.629   2.629
  158   2HE   LYS  21          2HE       LYS  21  -0.299   2.779   2.779
  159   1HZ   LYS  21          2HZ       LYS  21  -3.249   2.623   2.623
  160   2HZ   LYS  21          3HZ       LYS  21  -2.321   1.229   1.229
  161   3HZ   LYS  21          1HZ       LYS  21  -2.136   2.216   2.216
  162    H    ALA  22           H        ALA  22   0.863   4.573   4.573
  163    HA   ALA  22           HA       ALA  22   3.405   3.178   3.178
  164   1HB   ALA  22          2HB       ALA  22   1.222   2.574   2.574
  165   2HB   ALA  22          3HB       ALA  22   1.208   4.128   4.128
  166   3HB   ALA  22          1HB       ALA  22   2.458   2.912   2.912
  167    H    ARG  23           H        ARG  23   2.447   6.460   6.460
  168    HA   ARG  23           HA       ARG  23   4.369   7.132   7.132
  169   1HB   ARG  23          1HB       ARG  23   3.235   8.984   8.984
  170   2HB   ARG  23          2HB       ARG  23   3.918   9.508   9.508
  171   1HG   ARG  23          1HG       ARG  23   1.602   7.546   7.546
  172   2HG   ARG  23          2HG       ARG  23   1.184   9.072   9.072
  173   1HD   ARG  23          1HD       ARG  23   0.897   9.016   9.016
  174   2HD   ARG  23          2HD       ARG  23   1.906  10.365  10.365
  175    HE   ARG  23           HE       ARG  23   3.868   8.529   8.529
  176   1HH1  ARG  23          2HH2      ARG  23   1.159   9.213   9.213
  177   2HH1  ARG  23          1HH2      ARG  23   2.084   8.709   8.709
  178   1HH2  ARG  23          1HH1      ARG  23   4.805   8.004   8.004
  179   2HH2  ARG  23          2HH1      ARG  23   4.067   8.054   8.054
  180    H    GLU  24           H        GLU  24   4.497   7.389   7.389
  181    HA   GLU  24           HA       GLU  24   7.281   8.515   8.515
  182   1HB   GLU  24          1HB       GLU  24   5.795   7.437   7.437
  183   2HB   GLU  24          2HB       GLU  24   7.120   8.575   8.575
  184   1HG   GLU  24          1HG       GLU  24   5.724  10.421  10.421
  185   2HG   GLU  24          2HG       GLU  24   4.522   9.409   9.409
  186    H    LEU  25           H        LEU  25   5.725   5.489   5.489
  187    HA   LEU  25           HA       LEU  25   8.182   4.028   4.028
  188   1HB   LEU  25          1HB       LEU  25   6.369   2.697   2.697
  189   2HB   LEU  25          2HB       LEU  25   5.347   3.363   3.363
  190    HG   LEU  25           HG       LEU  25   7.517   1.481   1.481
  191   1HD1  LEU  25          2HD1      LEU  25   6.770   0.383   0.383
  192   2HD1  LEU  25          3HD1      LEU  25   5.071   0.468   0.468
  193   3HD1  LEU  25          1HD1      LEU  25   6.236  -0.544  -0.544
  194   1HD2  LEU  25          2HD2      LEU  25   4.504   1.774   1.774
  195   2HD2  LEU  25          3HD2      LEU  25   5.878   2.347   2.347
  196   3HD2  LEU  25          1HD2      LEU  25   5.618   0.612   0.612
  197    H    ILE  26           H        ILE  26   6.829   5.067   5.067
  198    HA   ILE  26           HA       ILE  26   8.470   3.262   3.262
  199    HB   ILE  26           HB       ILE  26   6.801   5.741   5.741
  200   1HG1  ILE  26          1HG1      ILE  26   6.937   3.338   3.338
  201   2HG1  ILE  26          2HG1      ILE  26   6.110   3.188   3.188
  202   1HG2  ILE  26          2HG2      ILE  26   8.894   6.435   6.435
  203   2HG2  ILE  26          3HG2      ILE  26   8.891   4.888   4.888
  204   3HG2  ILE  26          1HG2      ILE  26   7.601   6.086   6.086
  205   1HD1  ILE  26          2HD1      ILE  26   4.563   5.102   5.102
  206   2HD1  ILE  26          3HD1      ILE  26   5.301   5.221   5.221
  207   3HD1  ILE  26          1HD1      ILE  26   4.443   3.745   3.745
  208    H    SER  27           H        SER  27   9.016   6.384   6.384
  209    HA   SER  27           HA       SER  27  11.621   6.864   6.864
  210   1HB   SER  27          1HB       SER  27  11.104   8.738   8.738
  211   2HB   SER  27          2HB       SER  27  10.163   7.860   7.860
  212    HG   SER  27           HG       SER  27  12.733   8.709   8.709
  213    H    ARG  28           H        ARG  28  10.633   4.858   4.858
  214    HA   ARG  28           HA       ARG  28  13.407   3.961   3.961
  215   1HB   ARG  28          1HB       ARG  28  11.791   3.726   3.726
  216   2HB   ARG  28          2HB       ARG  28  10.576   3.018   3.018
  217   1HG   ARG  28          1HG       ARG  28  12.326   0.956   0.956
  218   2HG   ARG  28          2HG       ARG  28  13.085   1.686   1.686
  219   1HD   ARG  28          1HD       ARG  28  10.058   1.262   1.262
  220   2HD   ARG  28          2HD       ARG  28  11.112  -0.170  -0.170
  221    HE   ARG  28           HE       ARG  28  10.909   2.099   2.099
  222   1HH1  ARG  28          2HH2      ARG  28  12.680  -0.744  -0.744
  223   2HH1  ARG  28          1HH2      ARG  28  13.458  -0.892  -0.892
  224   1HH2  ARG  28          1HH1      ARG  28  11.789   1.875   1.875
  225   2HH2  ARG  28          2HH1      ARG  28  12.976   0.527   0.527
  226    H    ILE  29           H        ILE  29  10.976   3.082   3.082
  227    HA   ILE  29           HA       ILE  29  11.932   0.288   0.288
  228    HB   ILE  29           HB       ILE  29   9.942   2.080   2.080
  229   1HG1  ILE  29          1HG1      ILE  29   9.047  -0.699  -0.699
  230   2HG1  ILE  29          2HG1      ILE  29   9.758  -0.239  -0.239
  231   1HG2  ILE  29          2HG2      ILE  29  11.184   1.124   1.124
  232   2HG2  ILE  29          3HG2      ILE  29  10.966  -0.524  -0.524
  233   3HG2  ILE  29          1HG2      ILE  29   9.579   0.446   0.446
  234   1HD1  ILE  29          2HD1      ILE  29   8.263   1.784   1.784
  235   2HD1  ILE  29          3HD1      ILE  29   7.435   1.294   1.294
  236   3HD1  ILE  29          1HD1      ILE  29   7.370   0.248   0.248
  237    H    LYS  30           H        LYS  30  12.584   3.357   3.357
  238    HA   LYS  30           HA       LYS  30  14.270   2.525   2.525
  239   1HB   LYS  30          1HB       LYS  30  14.638   4.792   4.792
  240   2HB   LYS  30          2HB       LYS  30  13.775   4.949   4.949
  241   1HG   LYS  30          1HG       LYS  30  16.482   4.031   4.031
  242   2HG   LYS  30          2HG       LYS  30  16.645   5.311   5.311
  243   1HD   LYS  30          1HD       LYS  30  14.719   6.255   6.255
  244   2HD   LYS  30          2HD       LYS  30  15.963   5.416   5.416
  245   1HE   LYS  30          1HE       LYS  30  17.728   6.713   6.713
  246   2HE   LYS  30          2HE       LYS  30  16.378   7.771   7.771
  247   1HZ   LYS  30          2HZ       LYS  30  16.042   7.695   7.695
  248   2HZ   LYS  30          3HZ       LYS  30  17.705   7.452   7.452
  249   3HZ   LYS  30          1HZ       LYS  30  17.030   8.818   8.818
  250    H    GLN  31           H        GLN  31  15.009   2.708   2.708
  251    HA   GLN  31           HA       GLN  31  17.750   1.548   1.548
  252   1HB   GLN  31          1HB       GLN  31  16.713   3.338   3.338
  253   2HB   GLN  31          2HB       GLN  31  16.731   1.844   1.844
  254   1HG   GLN  31          1HG       GLN  31  19.308   1.677   1.677
  255   2HG   GLN  31          2HG       GLN  31  19.127   3.380   3.380
  256   1HE2  GLN  31          2HE2      GLN  31  18.815   3.823   3.823
  257   2HE2  GLN  31          1HE2      GLN  31  17.717   4.182   4.182
  258    H    SER  32           H        SER  32  15.838  -0.130  -0.130
  259    HA   SER  32           HA       SER  32  16.581  -2.579  -2.579
  260   1HB   SER  32          1HB       SER  32  14.750  -1.281  -1.281
  261   2HB   SER  32          2HB       SER  32  13.642  -2.248  -2.248
  262    HG   SER  32           HG       SER  32  15.359  -4.006  -4.006
  263    H    GLU  33           H        GLU  33  16.648  -1.911  -1.911
  264    HA   GLU  33           HA       GLU  33  14.214  -3.311  -3.311
  265   1HB   GLU  33          1HB       GLU  33  15.470  -0.665  -0.665
  266   2HB   GLU  33          2HB       GLU  33  15.517  -1.605  -1.605
  267   1HG   GLU  33          1HG       GLU  33  12.879  -1.988  -1.988
  268   2HG   GLU  33          2HG       GLU  33  13.028  -0.638  -0.638
  269    H    LEU  34           H        LEU  34  16.752  -4.411  -4.411
  270    HA   LEU  34           HA       LEU  34  17.293  -5.849  -5.849
  271   1HB   LEU  34          1HB       LEU  34  19.779  -6.077  -6.077
  272   2HB   LEU  34          2HB       LEU  34  19.286  -4.587  -4.587
  273    HG   LEU  34           HG       LEU  34  18.981  -4.361  -4.361
  274   1HD1  LEU  34          2HD1      LEU  34  20.805  -6.089  -6.089
  275   2HD1  LEU  34          3HD1      LEU  34  21.806  -5.089  -5.089
  276   3HD1  LEU  34          1HD1      LEU  34  21.413  -4.519  -4.519
  277   1HD2  LEU  34          2HD2      LEU  34  20.737  -2.840  -2.840
  278   2HD2  LEU  34          3HD2      LEU  34  19.132  -2.355  -2.355
  279   3HD2  LEU  34          1HD2      LEU  34  20.511  -2.355  -2.355
  280    H    SER  35           H        SER  35  18.975  -6.254  -6.254
  281    HA   SER  35           HA       SER  35  18.341  -7.565  -7.565
  282   1HB   SER  35          1HB       SER  35  15.929  -7.877  -7.877
  283   2HB   SER  35          2HB       SER  35  16.540  -9.472  -9.472
  284    HG   SER  35           HG       SER  35  16.406 -10.045 -10.045
  285    H    ALA  36           H        ALA  36  20.054  -7.939  -7.939
  286    HA   ALA  36           HA       ALA  36  22.167  -9.047  -9.047
  287   1HB   ALA  36          2HB       ALA  36  21.904  -9.502  -9.502
  288   2HB   ALA  36          3HB       ALA  36  20.868 -10.909 -10.909
  289   3HB   ALA  36          1HB       ALA  36  22.587 -10.932 -10.932
  290    H    LYS  37           H        LYS  37  19.132 -10.659 -10.659
  291    HA   LYS  37           HA       LYS  37  20.501 -12.480 -12.480
  292   1HB   LYS  37          1HB       LYS  37  18.080 -12.670 -12.670
  293   2HB   LYS  37          2HB       LYS  37  17.637 -12.936 -12.936
  294   1HG   LYS  37          1HG       LYS  37  20.125 -14.437 -14.437
  295   2HG   LYS  37          2HG       LYS  37  18.918 -14.787 -14.787
  296   1HD   LYS  37          1HD       LYS  37  18.341 -14.955 -14.955
  297   2HD   LYS  37          2HD       LYS  37  19.056 -16.304 -16.304
  298   1HE   LYS  37          1HE       LYS  37  17.118 -16.528 -16.528
  299   2HE   LYS  37          2HE       LYS  37  16.464 -14.947 -14.947
  300   1HZ   LYS  37          3HZ       LYS  37  16.838 -17.143 -17.143
  301   2HZ   LYS  37          1HZ       LYS  37  15.415 -16.903 -16.903
  302   3HZ   LYS  37          2HZ       LYS  37  15.966 -15.718 -15.718
  303    H    MET  38           H        MET  38  18.727  -9.561  -9.561
  304    HA   MET  38           HA       MET  38  17.540  -9.361  -9.361
  305   1HB   MET  38          1HB       MET  38  17.260  -7.263  -7.263
  306   2HB   MET  38          2HB       MET  38  18.556  -7.521  -7.521
  307   1HG   MET  38          1HG       MET  38  20.027  -6.157  -6.157
  308   2HG   MET  38          2HG       MET  38  19.622  -6.846  -6.846
  309   1HE   MET  38          3HE       MET  38  17.070  -6.688  -6.688
  310   2HE   MET  38          2HE       MET  38  16.515  -5.031  -5.031
  311   3HE   MET  38          1HE       MET  38  18.113  -5.595  -5.595

  Start of MODEL   13
    1   1H    THR   1          2H        THR   1 -14.033  -7.682  -7.682
    2   2H    THR   1          3H        THR   1 -13.218  -6.507  -6.507
    3   3H    THR   1          1H        THR   1 -12.546  -8.037  -8.037
    4    HA   THR   1           HA       THR   1 -13.826  -9.009  -9.009
    5    HB   THR   1           HB       THR   1 -12.787  -6.470  -6.470
    6    HG1  THR   1           HG1      THR   1 -12.926  -7.336  -7.336
    7   1HG2  THR   1          3HG2      THR   1 -15.616  -6.724  -6.724
    8   2HG2  THR   1          1HG2      THR   1 -14.343  -5.601  -5.601
    9   3HG2  THR   1          2HG2      THR   1 -15.077  -5.394  -5.394
   10    HA   PRO   2           HA       PRO   2 -18.260  -9.050  -9.050
   11   1HB   PRO   2          1HB       PRO   2 -18.110  -8.368  -8.368
   12   2HB   PRO   2          2HB       PRO   2 -19.057  -9.740  -9.740
   13   1HG   PRO   2          1HG       PRO   2 -16.630 -10.208 -10.208
   14   2HG   PRO   2          2HG       PRO   2 -17.146 -10.971 -10.971
   15   1HD   PRO   2          1HD       PRO   2 -15.428  -8.537  -8.537
   16   2HD   PRO   2          2HD       PRO   2 -14.968  -9.910  -9.910
   17    H    ASP   3           H        ASP   3 -20.129  -7.951  -7.951
   18    HA   ASP   3           HA       ASP   3 -20.723  -5.431  -5.431
   19   1HB   ASP   3          1HB       ASP   3 -22.460  -6.246  -6.246
   20   2HB   ASP   3          2HB       ASP   3 -21.330  -6.789  -6.789
   21    H    VAL   4           H        VAL   4 -19.351  -3.987  -3.987
   22    HA   VAL   4           HA       VAL   4 -17.684  -2.870  -2.870
   23    HB   VAL   4           HB       VAL   4 -16.579  -3.766  -3.766
   24   1HG1  VAL   4          1HG2      VAL   4 -17.569  -1.104  -1.104
   25   2HG1  VAL   4          2HG2      VAL   4 -16.344  -2.189  -2.189
   26   3HG1  VAL   4          3HG2      VAL   4 -18.002  -2.742  -2.742
   27   1HG2  VAL   4          2HG1      VAL   4 -15.288  -2.280  -2.280
   28   2HG2  VAL   4          3HG1      VAL   4 -14.804  -2.029  -2.029
   29   3HG2  VAL   4          1HG1      VAL   4 -15.858  -0.839  -0.839
   30    H    SER   5           H        SER   5 -20.453  -2.346  -2.346
   31    HA   SER   5           HA       SER   5 -20.263   0.651   0.651
   32   1HB   SER   5          1HB       SER   5 -22.987   0.038   0.038
   33   2HB   SER   5          2HB       SER   5 -22.329   0.412   0.412
   34    HG   SER   5           HG       SER   5 -23.332  -1.880  -1.880
   35    H    SER   6           H        SER   6 -21.146  -1.752  -1.752
   36    HA   SER   6           HA       SER   6 -20.694   0.461   0.461
   37   1HB   SER   6          1HB       SER   6 -23.185  -0.312  -0.312
   38   2HB   SER   6          2HB       SER   6 -22.698  -1.848  -1.848
   39    HG   SER   6           HG       SER   6 -22.657   0.745   0.745
   40    H    ALA   7           H        ALA   7 -18.700  -0.983  -0.983
   41    HA   ALA   7           HA       ALA   7 -18.081  -2.891  -2.891
   42   1HB   ALA   7          2HB       ALA   7 -17.701  -3.793  -3.793
   43   2HB   ALA   7          3HB       ALA   7 -16.615  -2.434  -2.434
   44   3HB   ALA   7          1HB       ALA   7 -16.149  -3.645  -3.645
   45    H    LEU   8           H        LEU   8 -17.324   0.156   0.156
   46    HA   LEU   8           HA       LEU   8 -14.939   0.645   0.645
   47   1HB   LEU   8          1HB       LEU   8 -15.708   1.956   1.956
   48   2HB   LEU   8          2HB       LEU   8 -16.854   2.781   2.781
   49    HG   LEU   8           HG       LEU   8 -14.268   3.624   3.624
   50   1HD1  LEU   8          2HD1      LEU   8 -16.189   5.040   5.040
   51   2HD1  LEU   8          3HD1      LEU   8 -15.990   4.425   4.425
   52   3HD1  LEU   8          1HD1      LEU   8 -14.713   5.412   5.412
   53   1HD2  LEU   8          2HD2      LEU   8 -14.191   2.471   2.471
   54   2HD2  LEU   8          3HD2      LEU   8 -13.151   2.001   2.001
   55   3HD2  LEU   8          1HD2      LEU   8 -13.001   3.619   3.619
   56    H    ASP   9           H        ASP   9 -18.387   0.955   0.955
   57    HA   ASP   9           HA       ASP   9 -18.358   2.335   2.335
   58   1HB   ASP   9          1HB       ASP   9 -20.507   1.865   1.865
   59   2HB   ASP   9          2HB       ASP   9 -20.269   0.142   0.142
   60    H    LYS  10           H        LYS  10 -17.877  -1.036  -1.036
   61    HA   LYS  10           HA       LYS  10 -18.133  -2.105  -2.105
   62   1HB   LYS  10          1HB       LYS  10 -17.582  -3.192  -3.192
   63   2HB   LYS  10          2HB       LYS  10 -15.958  -3.248  -3.248
   64   1HG   LYS  10          1HG       LYS  10 -17.299  -4.356  -4.356
   65   2HG   LYS  10          2HG       LYS  10 -18.472  -4.746  -4.746
   66   1HD   LYS  10          1HD       LYS  10 -16.909  -6.199  -6.199
   67   2HD   LYS  10          2HD       LYS  10 -15.499  -5.414  -5.414
   68   1HE   LYS  10          1HE       LYS  10 -15.646  -7.324  -7.324
   69   2HE   LYS  10          2HE       LYS  10 -16.629  -6.191  -6.191
   70   1HZ   LYS  10          3HZ       LYS  10 -17.937  -7.775  -7.775
   71   2HZ   LYS  10          1HZ       LYS  10 -17.569  -8.500  -8.500
   72   3HZ   LYS  10          2HZ       LYS  10 -18.575  -7.153  -7.153
   73    H    LEU  11           H        LEU  11 -15.381  -0.630  -0.630
   74    HA   LEU  11           HA       LEU  11 -13.875  -0.745  -0.745
   75   1HB   LEU  11          1HB       LEU  11 -13.125  -0.192  -0.192
   76   2HB   LEU  11          2HB       LEU  11 -12.185   0.644   0.644
   77    HG   LEU  11           HG       LEU  11 -10.975  -1.203  -1.203
   78   1HD1  LEU  11          2HD1      LEU  11 -12.896  -2.256  -2.256
   79   2HD1  LEU  11          3HD1      LEU  11 -13.505  -2.969  -2.969
   80   3HD1  LEU  11          1HD1      LEU  11 -11.937  -3.484  -3.484
   81   1HD2  LEU  11          2HD2      LEU  11 -12.280  -2.313  -2.313
   82   2HD2  LEU  11          3HD2      LEU  11 -10.799  -1.330  -1.330
   83   3HD2  LEU  11          1HD2      LEU  11 -10.807  -2.971  -2.971
   84    H    LYS  12           H        LYS  12 -13.999   1.794   1.794
   85    HA   LYS  12           HA       LYS  12 -14.070   4.153   4.153
   86   1HB   LYS  12          1HB       LYS  12 -16.445   3.601   3.601
   87   2HB   LYS  12          2HB       LYS  12 -15.916   3.366   3.366
   88   1HG   LYS  12          1HG       LYS  12 -16.339   5.611   5.611
   89   2HG   LYS  12          2HG       LYS  12 -14.916   5.965   5.965
   90   1HD   LYS  12          1HD       LYS  12 -17.044   5.495   5.495
   91   2HD   LYS  12          2HD       LYS  12 -17.802   6.377   6.377
   92   1HE   LYS  12          1HE       LYS  12 -16.934   8.268   8.268
   93   2HE   LYS  12          2HE       LYS  12 -15.458   7.854   7.854
   94   1HZ   LYS  12          2HZ       LYS  12 -14.907   6.369   6.369
   95   2HZ   LYS  12          3HZ       LYS  12 -16.139   7.152   7.152
   96   3HZ   LYS  12          1HZ       LYS  12 -14.825   8.029   8.029
   97    H    GLU  13           H        GLU  13 -14.528   3.997   3.997
   98    HA   GLU  13           HA       GLU  13 -12.143   5.278   5.278
   99   1HB   GLU  13          1HB       GLU  13 -12.389   3.502   3.502
  100   2HB   GLU  13          2HB       GLU  13 -13.425   4.892   4.892
  101   1HG   GLU  13          1HG       GLU  13 -15.265   3.514   3.514
  102   2HG   GLU  13          2HG       GLU  13 -14.231   2.127   2.127
  103    H    PHE  14           H        PHE  14 -12.300   1.788   1.788
  104    HA   PHE  14           HA       PHE  14  -9.567   1.255   1.255
  105   1HB   PHE  14          1HB       PHE  14 -11.283  -0.482  -0.482
  106   2HB   PHE  14          2HB       PHE  14 -11.790  -0.416  -0.416
  107    HD1  PHE  14           HD2      PHE  14  -8.265  -0.844  -0.844
  108    HD2  PHE  14           HD1      PHE  14 -11.531  -2.567  -2.567
  109    HE1  PHE  14           HE2      PHE  14  -6.930  -2.875  -2.875
  110    HE2  PHE  14           HE1      PHE  14 -10.195  -4.593  -4.593
  111    HZ   PHE  14           HZ       PHE  14  -7.902  -4.766  -4.766
  112    H    GLY  15           H        GLY  15 -10.897   2.346   2.346
  113   1HA   GLY  15          1HA       GLY  15  -8.518   1.278   1.278
  114   2HA   GLY  15          2HA       GLY  15  -9.796   2.337   2.337
  115    H    ASN  16           H        ASN  16  -9.809   4.404   4.404
  116    HA   ASN  16           HA       ASN  16  -7.695   6.125   6.125
  117   1HB   ASN  16          1HB       ASN  16  -9.479   7.256   7.256
  118   2HB   ASN  16          2HB       ASN  16  -9.625   6.076   6.076
  119   1HD2  ASN  16          1HD2      ASN  16  -8.213   8.621   8.621
  120   2HD2  ASN  16          2HD2      ASN  16  -9.651   7.514   7.514
  121    H    THR  17           H        THR  17  -7.834   4.282   4.282
  122    HA   THR  17           HA       THR  17  -5.197   5.203   5.203
  123    HB   THR  17           HB       THR  17  -6.824   2.681   2.681
  124    HG1  THR  17           HG1      THR  17  -7.221   3.892   3.892
  125   1HG2  THR  17          3HG2      THR  17  -4.363   3.795   3.795
  126   2HG2  THR  17          1HG2      THR  17  -5.453   2.512   2.512
  127   3HG2  THR  17          2HG2      THR  17  -4.432   2.219   2.219
  128    H    LEU  18           H        LEU  18  -6.196   2.667   2.667
  129    HA   LEU  18           HA       LEU  18  -3.617   1.193   1.193
  130   1HB   LEU  18          1HB       LEU  18  -5.217  -0.323  -0.323
  131   2HB   LEU  18          2HB       LEU  18  -6.213   0.915   0.915
  132    HG   LEU  18           HG       LEU  18  -4.478   0.919   0.919
  133   1HD1  LEU  18          3HD2      LEU  18  -2.721  -0.487  -0.487
  134   2HD1  LEU  18          1HD2      LEU  18  -3.803  -1.879  -1.879
  135   3HD1  LEU  18          2HD2      LEU  18  -3.151  -1.135  -1.135
  136   1HD2  LEU  18          2HD1      LEU  18  -6.843  -0.016  -0.016
  137   2HD2  LEU  18          3HD1      LEU  18  -5.722  -0.935  -0.935
  138   3HD2  LEU  18          1HD1      LEU  18  -6.225  -1.587  -1.587
  139    H    GLU  19           H        GLU  19  -4.782   3.795   3.795
  140    HA   GLU  19           HA       GLU  19  -2.577   3.534   3.534
  141   1HB   GLU  19          1HB       GLU  19  -4.838   4.705   4.705
  142   2HB   GLU  19          2HB       GLU  19  -4.344   5.962   5.962
  143   1HG   GLU  19          1HG       GLU  19  -2.763   6.916   6.916
  144   2HG   GLU  19          2HG       GLU  19  -2.567   5.435   5.435
  145    H    ASP  20           H        ASP  20  -3.154   5.467   5.467
  146    HA   ASP  20           HA       ASP  20  -0.414   6.652   6.652
  147   1HB   ASP  20          1HB       ASP  20  -2.592   7.625   7.625
  148   2HB   ASP  20          2HB       ASP  20  -2.073   6.569   6.569
  149    H    LYS  21           H        LYS  21  -1.708   3.706   3.706
  150    HA   LYS  21           HA       LYS  21   0.391   3.114   3.114
  151   1HB   LYS  21          1HB       LYS  21  -1.912   1.693   1.693
  152   2HB   LYS  21          2HB       LYS  21  -0.557   0.618   0.618
  153   1HG   LYS  21          1HG       LYS  21  -2.497   1.134   1.134
  154   2HG   LYS  21          2HG       LYS  21  -0.846   0.715   0.715
  155   1HD   LYS  21          1HD       LYS  21  -1.306   3.646   3.646
  156   2HD   LYS  21          2HD       LYS  21  -2.320   2.964   2.964
  157   1HE   LYS  21          1HE       LYS  21   0.220   1.739   1.739
  158   2HE   LYS  21          2HE       LYS  21   0.657   3.391   3.391
  159   1HZ   LYS  21          2HZ       LYS  21  -1.591   3.087   3.087
  160   2HZ   LYS  21          3HZ       LYS  21  -0.044   2.784   2.784
  161   3HZ   LYS  21          1HZ       LYS  21  -0.410   4.282   4.282
  162    H    ALA  22           H        ALA  22  -0.168   2.027   2.027
  163    HA   ALA  22           HA       ALA  22   2.562   0.876   0.876
  164   1HB   ALA  22          2HB       ALA  22   0.619   0.171   0.171
  165   2HB   ALA  22          3HB       ALA  22   0.517   1.805   1.805
  166   3HB   ALA  22          1HB       ALA  22   1.942   0.784   0.784
  167    H    ARG  23           H        ARG  23   1.211   4.044   4.044
  168    HA   ARG  23           HA       ARG  23   3.379   5.381   5.381
  169   1HB   ARG  23          1HB       ARG  23   1.438   6.188   6.188
  170   2HB   ARG  23          2HB       ARG  23   2.711   7.305   7.305
  171   1HG   ARG  23          1HG       ARG  23   1.190   6.186   6.186
  172   2HG   ARG  23          2HG       ARG  23   0.171   7.068   7.068
  173   1HD   ARG  23          1HD       ARG  23   0.965   8.679   8.679
  174   2HD   ARG  23          2HD       ARG  23   1.886   9.018   9.018
  175    HE   ARG  23           HE       ARG  23   3.199   7.022   7.022
  176   1HH1  ARG  23          2HH2      ARG  23   2.914  10.419  10.419
  177   2HH1  ARG  23          1HH2      ARG  23   4.526  10.793  10.793
  178   1HH2  ARG  23          1HH1      ARG  23   4.929   7.502   7.502
  179   2HH2  ARG  23          2HH1      ARG  23   5.626   9.211   9.211
  180    H    GLU  24           H        GLU  24   3.016   5.580   5.580
  181    HA   GLU  24           HA       GLU  24   5.760   6.304   6.304
  182   1HB   GLU  24          1HB       GLU  24   3.936   6.496   6.496
  183   2HB   GLU  24          2HB       GLU  24   3.692   4.773   4.773
  184   1HG   GLU  24          1HG       GLU  24   6.055   4.455   4.455
  185   2HG   GLU  24          2HG       GLU  24   6.373   6.147   6.147
  186    H    LEU  25           H        LEU  25   4.334   3.075   3.075
  187    HA   LEU  25           HA       LEU  25   6.805   1.740   1.740
  188   1HB   LEU  25          1HB       LEU  25   4.843   0.424   0.424
  189   2HB   LEU  25          2HB       LEU  25   4.200   0.873   0.873
  190    HG   LEU  25           HG       LEU  25   6.591  -0.694  -0.694
  191   1HD1  LEU  25          2HD1      LEU  25   6.384  -1.511  -1.511
  192   2HD1  LEU  25          3HD1      LEU  25   4.701  -2.012  -2.012
  193   3HD1  LEU  25          1HD1      LEU  25   6.042  -2.810  -2.810
  194   1HD2  LEU  25          2HD2      LEU  25   3.586  -1.394  -1.394
  195   2HD2  LEU  25          3HD2      LEU  25   4.639  -0.661  -0.661
  196   3HD2  LEU  25          1HD2      LEU  25   4.933  -2.323  -2.323
  197    H    ILE  26           H        ILE  26   5.700   2.854   2.854
  198    HA   ILE  26           HA       ILE  26   7.782   1.438   1.438
  199    HB   ILE  26           HB       ILE  26   5.832   3.674   3.674
  200   1HG1  ILE  26          1HG1      ILE  26   6.685   1.630   1.630
  201   2HG1  ILE  26          2HG1      ILE  26   5.723   1.098   1.098
  202   1HG2  ILE  26          2HG2      ILE  26   7.930   4.864   4.864
  203   2HG2  ILE  26          3HG2      ILE  26   8.345   3.469   3.469
  204   3HG2  ILE  26          1HG2      ILE  26   6.910   4.461   4.461
  205   1HD1  ILE  26          2HD1      ILE  26   3.899   2.757   2.757
  206   2HD1  ILE  26          3HD1      ILE  26   4.793   3.254   3.254
  207   3HD1  ILE  26          1HD1      ILE  26   4.200   1.592   1.592
  208    H    SER  27           H        SER  27   7.645   4.546   4.546
  209    HA   SER  27           HA       SER  27  10.349   5.382   5.382
  210   1HB   SER  27          1HB       SER  27   8.936   6.999   6.999
  211   2HB   SER  27          2HB       SER  27   8.575   5.938   5.938
  212    HG   SER  27           HG       SER  27  10.860   6.098   6.098
  213    H    ARG  28           H        ARG  28   9.169   3.027   3.027
  214    HA   ARG  28           HA       ARG  28  11.904   2.582   2.582
  215   1HB   ARG  28          1HB       ARG  28   9.944   2.117   2.117
  216   2HB   ARG  28          2HB       ARG  28   9.199   1.101   1.101
  217   1HG   ARG  28          1HG       ARG  28  11.428  -0.440  -0.440
  218   2HG   ARG  28          2HG       ARG  28  11.572   0.466   0.466
  219   1HD   ARG  28          1HD       ARG  28   8.893  -0.232  -0.232
  220   2HD   ARG  28          2HD       ARG  28   9.503  -1.581  -1.581
  221    HE   ARG  28           HE       ARG  28  11.158  -0.871  -0.871
  222   1HH1  ARG  28          2HH2      ARG  28   8.736  -2.997  -2.997
  223   2HH1  ARG  28          1HH2      ARG  28   9.031  -4.259  -4.259
  224   1HH2  ARG  28          1HH1      ARG  28  11.424  -2.284  -2.284
  225   2HH2  ARG  28          2HH1      ARG  28  10.493  -3.879  -3.879
  226    H    ILE  29           H        ILE  29  10.081   1.458   1.458
  227    HA   ILE  29           HA       ILE  29  11.472  -1.174  -1.174
  228    HB   ILE  29           HB       ILE  29   9.454   0.309   0.309
  229   1HG1  ILE  29          1HG1      ILE  29   8.069  -1.135  -1.135
  230   2HG1  ILE  29          2HG1      ILE  29   8.672  -2.364  -2.364
  231   1HG2  ILE  29          2HG2      ILE  29  11.094  -0.459  -0.459
  232   2HG2  ILE  29          3HG2      ILE  29  11.030  -2.119  -2.119
  233   3HG2  ILE  29          1HG2      ILE  29   9.609  -1.366  -1.366
  234   1HD1  ILE  29          2HD1      ILE  29  10.427  -3.093  -3.093
  235   2HD1  ILE  29          3HD1      ILE  29   9.778  -1.932  -1.932
  236   3HD1  ILE  29          1HD1      ILE  29   8.766  -3.268  -3.268
  237    H    LYS  30           H        LYS  30  11.875   2.002   2.002
  238    HA   LYS  30           HA       LYS  30  13.732   1.313   1.313
  239   1HB   LYS  30          1HB       LYS  30  13.398   3.572   3.572
  240   2HB   LYS  30          2HB       LYS  30  12.769   3.742   3.742
  241   1HG   LYS  30          1HG       LYS  30  15.804   3.482   3.482
  242   2HG   LYS  30          2HG       LYS  30  15.092   4.957   4.957
  243   1HD   LYS  30          1HD       LYS  30  13.982   4.388   4.388
  244   2HD   LYS  30          2HD       LYS  30  15.751   4.254   4.254
  245   1HE   LYS  30          1HE       LYS  30  14.102   6.685   6.685
  246   2HE   LYS  30          2HE       LYS  30  15.235   6.641   6.641
  247   1HZ   LYS  30          1HZ       LYS  30  16.895   5.866   5.866
  248   2HZ   LYS  30          2HZ       LYS  30  15.812   6.649   6.649
  249   3HZ   LYS  30          3HZ       LYS  30  16.548   7.496   7.496
  250    H    GLN  31           H        GLN  31  14.217   1.869   1.869
  251    HA   GLN  31           HA       GLN  31  17.184   1.378   1.378
  252   1HB   GLN  31          1HB       GLN  31  15.635   2.927   2.927
  253   2HB   GLN  31          2HB       GLN  31  15.941   1.509   1.509
  254   1HG   GLN  31          1HG       GLN  31  18.544   1.976   1.976
  255   2HG   GLN  31          2HG       GLN  31  17.936   3.594   3.594
  256   1HE2  GLN  31          2HE2      GLN  31  18.198   4.304   4.304
  257   2HE2  GLN  31          1HE2      GLN  31  17.739   4.895   4.895
  258    H    SER  32           H        SER  32  15.813  -0.732  -0.732
  259    HA   SER  32           HA       SER  32  17.223  -2.762  -2.762
  260   1HB   SER  32          1HB       SER  32  14.204  -2.523  -2.523
  261   2HB   SER  32          2HB       SER  32  14.836  -4.155  -4.155
  262    HG   SER  32           HG       SER  32  15.891  -3.931  -3.931
  263    H    GLU  33           H        GLU  33  17.333  -1.725  -1.725
  264    HA   GLU  33           HA       GLU  33  16.463  -4.203  -4.203
  265   1HB   GLU  33          1HB       GLU  33  15.967  -1.299  -1.299
  266   2HB   GLU  33          2HB       GLU  33  16.817  -1.931  -1.931
  267   1HG   GLU  33          1HG       GLU  33  14.661  -3.819  -3.819
  268   2HG   GLU  33          2HG       GLU  33  13.954  -2.240  -2.240
  269    H    LEU  34           H        LEU  34  18.954  -3.628  -3.628
  270    HA   LEU  34           HA       LEU  34  20.787  -3.816  -3.816
  271   1HB   LEU  34          1HB       LEU  34  22.661  -3.338  -3.338
  272   2HB   LEU  34          2HB       LEU  34  21.643  -1.997  -1.997
  273    HG   LEU  34           HG       LEU  34  21.063  -3.584  -3.584
  274   1HD1  LEU  34          2HD1      LEU  34  23.447  -2.796  -2.796
  275   2HD1  LEU  34          3HD1      LEU  34  22.935  -1.132  -1.132
  276   3HD1  LEU  34          1HD1      LEU  34  22.438  -1.903  -1.903
  277   1HD2  LEU  34          2HD2      LEU  34  20.347  -0.695  -0.695
  278   2HD2  LEU  34          3HD2      LEU  34  19.224  -2.066  -2.066
  279   3HD2  LEU  34          1HD2      LEU  34  20.013  -1.391  -1.391
  280    H    SER  35           H        SER  35  19.872  -5.233  -5.233
  281    HA   SER  35           HA       SER  35  20.587  -7.257  -7.257
  282   1HB   SER  35          1HB       SER  35  19.397  -7.900  -7.900
  283   2HB   SER  35          2HB       SER  35  20.951  -8.684  -8.684
  284    HG   SER  35           HG       SER  35  20.449  -9.500  -9.500
  285    H    ALA  36           H        ALA  36  22.573  -5.339  -5.339
  286    HA   ALA  36           HA       ALA  36  24.915  -5.281  -5.281
  287   1HB   ALA  36          2HB       ALA  36  24.334  -6.998  -6.998
  288   2HB   ALA  36          3HB       ALA  36  24.495  -8.310  -8.310
  289   3HB   ALA  36          1HB       ALA  36  25.921  -7.363  -7.363
  290    H    LYS  37           H        LYS  37  24.360  -5.069  -5.069
  291    HA   LYS  37           HA       LYS  37  25.401  -5.252  -5.252
  292   1HB   LYS  37          1HB       LYS  37  27.471  -5.307  -5.307
  293   2HB   LYS  37          2HB       LYS  37  27.795  -6.797  -6.797
  294   1HG   LYS  37          1HG       LYS  37  27.800  -5.461  -5.461
  295   2HG   LYS  37          2HG       LYS  37  27.514  -3.986  -3.986
  296   1HD   LYS  37          1HD       LYS  37  29.742  -3.924  -3.924
  297   2HD   LYS  37          2HD       LYS  37  29.902  -5.691  -5.691
  298   1HE   LYS  37          1HE       LYS  37  30.447  -5.865  -5.865
  299   2HE   LYS  37          2HE       LYS  37  29.406  -4.515  -4.515
  300   1HZ   LYS  37          2HZ       LYS  37  31.104  -3.126  -3.126
  301   2HZ   LYS  37          3HZ       LYS  37  32.128  -4.432  -4.432
  302   3HZ   LYS  37          1HZ       LYS  37  31.467  -3.596  -3.596
  303    H    MET  38           H        MET  38  23.630  -7.268  -7.268
  304    HA   MET  38           HA       MET  38  24.420  -9.904  -9.904
  305   1HB   MET  38          1HB       MET  38  21.988  -8.642  -8.642
  306   2HB   MET  38          2HB       MET  38  21.704  -9.020  -9.020
  307   1HG   MET  38          1HG       MET  38  22.804 -11.319 -11.319
  308   2HG   MET  38          2HG       MET  38  21.159 -10.766 -10.766
  309   1HE   MET  38          1HE       MET  38  21.683 -13.426 -13.426
  310   2HE   MET  38          3HE       MET  38  19.951 -13.235 -13.235
  311   3HE   MET  38          2HE       MET  38  21.066 -14.029 -14.029

  Start of MODEL   14
    1   1H    THR   1          1H        THR   1 -19.180  -6.048  -6.048
    2   2H    THR   1          2H        THR   1 -18.125  -7.355  -7.355
    3   3H    THR   1          3H        THR   1 -19.747  -7.605  -7.605
    4    HA   THR   1           HA       THR   1 -19.657  -8.246  -8.246
    5    HB   THR   1           HB       THR   1 -17.250  -6.767  -6.767
    6    HG1  THR   1           HG1      THR   1 -17.073  -7.597  -7.597
    7   1HG2  THR   1          3HG2      THR   1 -19.076  -5.533  -5.533
    8   2HG2  THR   1          1HG2      THR   1 -17.307  -5.351  -5.351
    9   3HG2  THR   1          2HG2      THR   1 -18.327  -4.631  -4.631
   10    HA   PRO   2           HA       PRO   2 -23.143  -6.013  -6.013
   11   1HB   PRO   2          1HB       PRO   2 -21.633  -5.837  -5.837
   12   2HB   PRO   2          2HB       PRO   2 -23.397  -6.415  -6.415
   13   1HG   PRO   2          1HG       PRO   2 -21.279  -8.215  -8.215
   14   2HG   PRO   2          2HG       PRO   2 -22.657  -8.406  -8.406
   15   1HD   PRO   2          1HD       PRO   2 -19.750  -7.324  -7.324
   16   2HD   PRO   2          2HD       PRO   2 -20.505  -8.589  -8.589
   17    H    ASP   3           H        ASP   3 -23.665  -4.269  -4.269
   18    HA   ASP   3           HA       ASP   3 -22.858  -1.734  -1.734
   19   1HB   ASP   3          1HB       ASP   3 -24.741  -2.231  -2.231
   20   2HB   ASP   3          2HB       ASP   3 -23.481  -2.272  -2.272
   21    H    VAL   4           H        VAL   4 -20.929  -1.277  -1.277
   22    HA   VAL   4           HA       VAL   4 -18.738  -1.842  -1.842
   23    HB   VAL   4           HB       VAL   4 -18.328  -2.658  -2.658
   24   1HG1  VAL   4          1HG2      VAL   4 -18.617   0.228   0.228
   25   2HG1  VAL   4          2HG2      VAL   4 -18.035  -1.181  -1.181
   26   3HG1  VAL   4          3HG2      VAL   4 -19.695  -1.143  -1.143
   27   1HG2  VAL   4          2HG1      VAL   4 -16.274  -1.764  -1.764
   28   2HG2  VAL   4          3HG1      VAL   4 -16.142  -1.627  -1.627
   29   3HG2  VAL   4          1HG1      VAL   4 -16.509  -0.182  -0.182
   30    H    SER   5           H        SER   5 -20.453   0.761   0.761
   31    HA   SER   5           HA       SER   5 -18.689   2.934   2.934
   32   1HB   SER   5          1HB       SER   5 -21.080   2.899   2.899
   33   2HB   SER   5          2HB       SER   5 -21.725   3.256   3.256
   34    HG   SER   5           HG       SER   5 -21.269   5.227   5.227
   35    H    SER   6           H        SER   6 -21.350   1.591   1.591
   36    HA   SER   6           HA       SER   6 -20.016   2.887   2.887
   37   1HB   SER   6          1HB       SER   6 -22.731   1.589   1.589
   38   2HB   SER   6          2HB       SER   6 -22.134   3.075   3.075
   39    HG   SER   6           HG       SER   6 -23.763   2.921   2.921
   40    H    ALA   7           H        ALA   7 -19.012   0.551   0.551
   41    HA   ALA   7           HA       ALA   7 -19.374  -1.439  -1.439
   42   1HB   ALA   7          2HB       ALA   7 -19.458  -2.310  -2.310
   43   2HB   ALA   7          3HB       ALA   7 -17.835  -1.654  -1.654
   44   3HB   ALA   7          1HB       ALA   7 -18.048  -2.987  -2.987
   45    H    LEU   8           H        LEU   8 -17.216   0.950   0.950
   46    HA   LEU   8           HA       LEU   8 -14.959   0.067   0.067
   47   1HB   LEU   8          1HB       LEU   8 -15.000   1.730   1.730
   48   2HB   LEU   8          2HB       LEU   8 -15.388   2.955   2.955
   49    HG   LEU   8           HG       LEU   8 -12.932   2.750   2.750
   50   1HD1  LEU   8          2HD1      LEU   8 -13.669   4.027   4.027
   51   2HD1  LEU   8          3HD1      LEU   8 -13.561   2.552   2.552
   52   3HD1  LEU   8          1HD1      LEU   8 -12.094   3.257   3.257
   53   1HD2  LEU   8          2HD2      LEU   8 -13.015   0.223   0.223
   54   2HD2  LEU   8          3HD2      LEU   8 -12.610   0.289   0.289
   55   3HD2  LEU   8          1HD2      LEU   8 -11.525   1.034   1.034
   56    H    ASP   9           H        ASP   9 -17.765   2.104   2.104
   57    HA   ASP   9           HA       ASP   9 -17.229   3.320   3.320
   58   1HB   ASP   9          1HB       ASP   9 -19.437   3.481   3.481
   59   2HB   ASP   9          2HB       ASP   9 -19.887   1.913   1.913
   60    H    LYS  10           H        LYS  10 -18.115  -0.012  -0.012
   61    HA   LYS  10           HA       LYS  10 -18.705  -0.754  -0.754
   62   1HB   LYS  10          1HB       LYS  10 -17.338  -2.565  -2.565
   63   2HB   LYS  10          2HB       LYS  10 -18.282  -3.111  -3.111
   64   1HG   LYS  10          1HG       LYS  10 -20.199  -1.512  -1.512
   65   2HG   LYS  10          2HG       LYS  10 -19.226  -1.883  -1.883
   66   1HD   LYS  10          1HD       LYS  10 -20.961  -3.535  -3.535
   67   2HD   LYS  10          2HD       LYS  10 -19.529  -4.395  -4.395
   68   1HE   LYS  10          1HE       LYS  10 -20.218  -4.267  -4.267
   69   2HE   LYS  10          2HE       LYS  10 -21.336  -2.925  -2.925
   70   1HZ   LYS  10          1HZ       LYS  10 -22.520  -4.586  -4.586
   71   2HZ   LYS  10          2HZ       LYS  10 -21.668  -5.768  -5.768
   72   3HZ   LYS  10          3HZ       LYS  10 -22.715  -4.742  -4.742
   73    H    LEU  11           H        LEU  11 -15.664  -0.571  -0.571
   74    HA   LEU  11           HA       LEU  11 -14.095  -1.659  -1.659
   75   1HB   LEU  11          1HB       LEU  11 -12.818   0.163   0.163
   76   2HB   LEU  11          2HB       LEU  11 -12.156  -1.260  -1.260
   77    HG   LEU  11           HG       LEU  11 -13.958  -1.055  -1.055
   78   1HD1  LEU  11          2HD1      LEU  11 -11.464  -1.225  -1.225
   79   2HD1  LEU  11          3HD1      LEU  11 -11.454  -2.758  -2.758
   80   3HD1  LEU  11          1HD1      LEU  11 -12.268  -2.655  -2.655
   81   1HD2  LEU  11          2HD2      LEU  11 -13.758  -3.604  -3.604
   82   2HD2  LEU  11          3HD2      LEU  11 -15.232  -2.679  -2.679
   83   3HD2  LEU  11          1HD2      LEU  11 -14.401  -3.557  -3.557
   84    H    LYS  12           H        LYS  12 -13.959   1.553   1.553
   85    HA   LYS  12           HA       LYS  12 -12.631   3.320   3.320
   86   1HB   LYS  12          1HB       LYS  12 -15.417   3.389   3.389
   87   2HB   LYS  12          2HB       LYS  12 -15.125   3.601   3.601
   88   1HG   LYS  12          1HG       LYS  12 -14.667   5.834   5.834
   89   2HG   LYS  12          2HG       LYS  12 -13.263   5.384   5.384
   90   1HD   LYS  12          1HD       LYS  12 -15.494   5.031   5.031
   91   2HD   LYS  12          2HD       LYS  12 -15.927   6.456   6.456
   92   1HE   LYS  12          1HE       LYS  12 -13.136   6.137   6.137
   93   2HE   LYS  12          2HE       LYS  12 -14.477   6.955   6.955
   94   1HZ   LYS  12          2HZ       LYS  12 -13.998   7.788   7.788
   95   2HZ   LYS  12          3HZ       LYS  12 -12.803   8.191   8.191
   96   3HZ   LYS  12          1HZ       LYS  12 -14.387   8.699   8.699
   97    H    GLU  13           H        GLU  13 -11.254   1.610   1.610
   98    HA   GLU  13           HA       GLU  13 -10.547   2.345   2.345
   99   1HB   GLU  13          1HB       GLU  13 -12.951   1.792   1.792
  100   2HB   GLU  13          2HB       GLU  13 -12.713   0.142   0.142
  101   1HG   GLU  13          1HG       GLU  13 -12.625   0.518   0.518
  102   2HG   GLU  13          2HG       GLU  13 -11.287  -0.398  -0.398
  103    H    PHE  14           H        PHE  14 -11.484  -1.016  -1.016
  104    HA   PHE  14           HA       PHE  14  -8.948  -2.200  -2.200
  105   1HB   PHE  14          1HB       PHE  14 -10.789  -3.707  -3.707
  106   2HB   PHE  14          2HB       PHE  14 -11.515  -2.821  -2.821
  107    HD1  PHE  14           HD1      PHE  14  -8.716  -5.144  -5.144
  108    HD2  PHE  14           HD2      PHE  14 -11.007  -3.395  -3.395
  109    HE1  PHE  14           HE1      PHE  14  -7.864  -6.854  -6.854
  110    HE2  PHE  14           HE2      PHE  14 -10.127  -5.095  -5.095
  111    HZ   PHE  14           HZ       PHE  14  -8.571  -6.840  -6.840
  112    H    GLY  15           H        GLY  15  -9.973  -0.017  -0.017
  113   1HA   GLY  15          1HA       GLY  15  -7.927  -1.283  -1.283
  114   2HA   GLY  15          2HA       GLY  15  -9.216  -0.158  -0.158
  115    H    ASN  16           H        ASN  16  -8.823   1.623   1.623
  116    HA   ASN  16           HA       ASN  16  -6.713   3.367   3.367
  117   1HB   ASN  16          1HB       ASN  16  -8.273   4.434   4.434
  118   2HB   ASN  16          2HB       ASN  16  -8.297   3.120   3.120
  119   1HD2  ASN  16          1HD2      ASN  16  -6.404   5.362   5.362
  120   2HD2  ASN  16          2HD2      ASN  16  -7.983   4.430   4.430
  121    H    THR  17           H        THR  17  -6.673   0.742   0.742
  122    HA   THR  17           HA       THR  17  -3.984   1.280   1.280
  123    HB   THR  17           HB       THR  17  -5.584  -1.355  -1.355
  124    HG1  THR  17           HG1      THR  17  -5.889  -0.967  -0.967
  125   1HG2  THR  17          3HG2      THR  17  -3.050  -0.879  -0.879
  126   2HG2  THR  17          1HG2      THR  17  -4.111  -2.307  -2.307
  127   3HG2  THR  17          2HG2      THR  17  -3.162  -2.013  -2.013
  128    H    LEU  18           H        LEU  18  -5.121  -0.249  -0.249
  129    HA   LEU  18           HA       LEU  18  -2.509  -1.557  -1.557
  130   1HB   LEU  18          1HB       LEU  18  -4.641  -0.821  -0.821
  131   2HB   LEU  18          2HB       LEU  18  -3.464  -2.117  -2.117
  132    HG   LEU  18           HG       LEU  18  -6.084  -1.997  -1.997
  133   1HD1  LEU  18          2HD1      LEU  18  -6.037  -2.960  -2.960
  134   2HD1  LEU  18          3HD1      LEU  18  -4.802  -4.144  -4.144
  135   3HD1  LEU  18          1HD1      LEU  18  -6.436  -4.208  -4.208
  136   1HD2  LEU  18          2HD2      LEU  18  -3.770  -3.958  -3.958
  137   2HD2  LEU  18          3HD2      LEU  18  -4.499  -2.763  -2.763
  138   3HD2  LEU  18          1HD2      LEU  18  -5.456  -4.145  -4.145
  139    H    GLU  19           H        GLU  19  -4.102   1.395   1.395
  140    HA   GLU  19           HA       GLU  19  -1.869   2.153   2.153
  141   1HB   GLU  19          1HB       GLU  19  -4.304   2.960   2.960
  142   2HB   GLU  19          2HB       GLU  19  -4.061   3.879   3.879
  143   1HG   GLU  19          1HG       GLU  19  -2.044   4.579   4.579
  144   2HG   GLU  19          2HG       GLU  19  -3.683   4.806   4.806
  145    H    ASP  20           H        ASP  20  -2.467   2.448   2.448
  146    HA   ASP  20           HA       ASP  20  -0.081   4.294   4.294
  147   1HB   ASP  20          1HB       ASP  20  -2.387   4.209   4.209
  148   2HB   ASP  20          2HB       ASP  20  -1.420   3.078   3.078
  149    H    LYS  21           H        LYS  21  -0.776   0.984   0.984
  150    HA   LYS  21           HA       LYS  21   1.548   0.207   0.207
  151   1HB   LYS  21          1HB       LYS  21  -0.546  -1.205  -1.205
  152   2HB   LYS  21          2HB       LYS  21   0.972  -2.069  -2.069
  153   1HG   LYS  21          1HG       LYS  21  -1.171  -2.145  -2.145
  154   2HG   LYS  21          2HG       LYS  21   0.481  -2.630  -2.630
  155   1HD   LYS  21          1HD       LYS  21  -0.177   0.316   0.316
  156   2HD   LYS  21          2HD       LYS  21  -1.017  -0.776  -0.776
  157   1HE   LYS  21          1HE       LYS  21   1.806  -1.625  -1.625
  158   2HE   LYS  21          2HE       LYS  21   1.762   0.101   0.101
  159   1HZ   LYS  21          1HZ       LYS  21  -0.144  -0.767  -0.767
  160   2HZ   LYS  21          2HZ       LYS  21   0.789  -2.164  -2.164
  161   3HZ   LYS  21          3HZ       LYS  21   1.480  -0.717  -0.717
  162    H    ALA  22           H        ALA  22   0.944   0.847   0.847
  163    HA   ALA  22           HA       ALA  22   3.691  -0.120  -0.120
  164   1HB   ALA  22          2HB       ALA  22   1.735  -0.285  -0.285
  165   2HB   ALA  22          3HB       ALA  22   1.536   1.483   1.483
  166   3HB   ALA  22          1HB       ALA  22   2.994   0.755   0.755
  167    H    ARG  23           H        ARG  23   2.126   2.856   2.856
  168    HA   ARG  23           HA       ARG  23   4.260   4.590   4.590
  169   1HB   ARG  23          1HB       ARG  23   1.815   4.901   4.901
  170   2HB   ARG  23          2HB       ARG  23   3.047   6.133   6.133
  171   1HG   ARG  23          1HG       ARG  23   1.284   6.825   6.825
  172   2HG   ARG  23          2HG       ARG  23   2.876   6.749   6.749
  173   1HD   ARG  23          1HD       ARG  23   1.529   4.112   4.112
  174   2HD   ARG  23          2HD       ARG  23   0.478   5.404   5.404
  175    HE   ARG  23           HE       ARG  23   3.306   5.661   5.661
  176   1HH1  ARG  23          2HH2      ARG  23   0.269   4.173   4.173
  177   2HH1  ARG  23          1HH2      ARG  23   0.737   3.967   3.967
  178   1HH2  ARG  23          1HH1      ARG  23   3.742   5.404   5.404
  179   2HH2  ARG  23          2HH1      ARG  23   2.625   4.632   4.632
  180    H    GLU  24           H        GLU  24   3.369   3.874   3.874
  181    HA   GLU  24           HA       GLU  24   5.858   4.806   4.806
  182   1HB   GLU  24          1HB       GLU  24   3.843   4.292   4.292
  183   2HB   GLU  24          2HB       GLU  24   3.883   2.608   2.608
  184   1HG   GLU  24          1HG       GLU  24   6.141   2.342   2.342
  185   2HG   GLU  24          2HG       GLU  24   6.194   4.043   4.043
  186    H    LEU  25           H        LEU  25   4.986   1.555   1.555
  187    HA   LEU  25           HA       LEU  25   7.546   0.338   0.338
  188   1HB   LEU  25          1HB       LEU  25   5.624  -1.061  -1.061
  189   2HB   LEU  25          2HB       LEU  25   5.501  -0.269  -0.269
  190    HG   LEU  25           HG       LEU  25   8.126  -1.404  -1.404
  191   1HD1  LEU  25          2HD1      LEU  25   7.480  -2.752  -2.752
  192   2HD1  LEU  25          3HD1      LEU  25   6.069  -3.410  -3.410
  193   3HD1  LEU  25          1HD1      LEU  25   7.718  -3.796  -3.796
  194   1HD2  LEU  25          2HD2      LEU  25   5.506  -2.443  -2.443
  195   2HD2  LEU  25          3HD2      LEU  25   6.678  -1.311  -1.311
  196   3HD2  LEU  25          1HD2      LEU  25   7.150  -2.989  -2.989
  197    H    ILE  26           H        ILE  26   6.625   2.399   2.399
  198    HA   ILE  26           HA       ILE  26   9.025   1.782   1.782
  199    HB   ILE  26           HB       ILE  26   6.794   3.808   3.808
  200   1HG1  ILE  26          1HG1      ILE  26   8.087   2.695   2.695
  201   2HG1  ILE  26          2HG1      ILE  26   7.220   1.578   1.578
  202   1HG2  ILE  26          2HG2      ILE  26   8.747   5.426   5.426
  203   2HG2  ILE  26          3HG2      ILE  26   9.454   4.468   4.468
  204   3HG2  ILE  26          1HG2      ILE  26   7.918   5.337   5.337
  205   1HD1  ILE  26          2HD1      ILE  26   5.115   2.960   2.960
  206   2HD1  ILE  26          3HD1      ILE  26   5.923   4.065   4.065
  207   3HD1  ILE  26          1HD1      ILE  26   5.671   2.368   2.368
  208    H    SER  27           H        SER  27   8.243   4.101   4.101
  209    HA   SER  27           HA       SER  27  10.807   5.501   5.501
  210   1HB   SER  27          1HB       SER  27   9.062   6.469   6.469
  211   2HB   SER  27          2HB       SER  27   8.766   4.987   4.987
  212    HG   SER  27           HG       SER  27  10.101   5.815   5.815
  213    H    ARG  28           H        ARG  28   9.879   2.393   2.393
  214    HA   ARG  28           HA       ARG  28  12.560   1.998   1.998
  215   1HB   ARG  28          1HB       ARG  28  10.374   0.889   0.889
  216   2HB   ARG  28          2HB       ARG  28  10.327  -0.042  -0.042
  217   1HG   ARG  28          1HG       ARG  28  12.845  -0.816  -0.816
  218   2HG   ARG  28          2HG       ARG  28  12.192  -0.327  -0.327
  219   1HD   ARG  28          1HD       ARG  28  10.116  -1.861  -1.861
  220   2HD   ARG  28          2HD       ARG  28  11.141  -2.506  -2.506
  221    HE   ARG  28           HE       ARG  28  11.534  -2.865  -2.865
  222   1HH1  ARG  28          2HH2      ARG  28  13.051  -3.133  -3.133
  223   2HH1  ARG  28          1HH2      ARG  28  14.332  -4.300  -4.300
  224   1HH2  ARG  28          1HH1      ARG  28  12.951  -4.130  -4.130
  225   2HH2  ARG  28          2HH1      ARG  28  14.283  -4.845  -4.845
  226    H    ILE  29           H        ILE  29  11.164   1.582   1.582
  227    HA   ILE  29           HA       ILE  29  13.045  -0.623  -0.623
  228    HB   ILE  29           HB       ILE  29  10.816   0.903   0.903
  229   1HG1  ILE  29          1HG1      ILE  29   9.714  -1.018  -1.018
  230   2HG1  ILE  29          2HG1      ILE  29  10.577  -1.749  -1.749
  231   1HG2  ILE  29          2HG2      ILE  29  12.629   0.994   0.994
  232   2HG2  ILE  29          3HG2      ILE  29  12.874  -0.764  -0.764
  233   3HG2  ILE  29          1HG2      ILE  29  11.356  -0.094  -0.094
  234   1HD1  ILE  29          2HD1      ILE  29  12.396  -2.594  -2.594
  235   2HD1  ILE  29          3HD1      ILE  29  11.497  -1.964  -1.964
  236   3HD1  ILE  29          1HD1      ILE  29  10.786  -3.236  -3.236
  237    H    LYS  30           H        LYS  30  12.915   2.826   2.826
  238    HA   LYS  30           HA       LYS  30  14.915   2.985   2.985
  239   1HB   LYS  30          1HB       LYS  30  13.314   4.913   4.913
  240   2HB   LYS  30          2HB       LYS  30  14.845   5.543   5.543
  241   1HG   LYS  30          1HG       LYS  30  12.993   6.099   6.099
  242   2HG   LYS  30          2HG       LYS  30  14.170   5.046   5.046
  243   1HD   LYS  30          1HD       LYS  30  12.310   3.210   3.210
  244   2HD   LYS  30          2HD       LYS  30  11.279   4.616   4.616
  245   1HE   LYS  30          1HE       LYS  30  13.266   4.125   4.125
  246   2HE   LYS  30          2HE       LYS  30  12.173   2.752   2.752
  247   1HZ   LYS  30          3HZ       LYS  30  11.011   5.452   5.452
  248   2HZ   LYS  30          1HZ       LYS  30  11.472   4.782   4.782
  249   3HZ   LYS  30          2HZ       LYS  30  10.342   3.995   3.995
  250    H    GLN  31           H        GLN  31  14.909   3.115   3.115
  251    HA   GLN  31           HA       GLN  31  17.766   4.107   4.107
  252   1HB   GLN  31          1HB       GLN  31  15.533   4.552   4.552
  253   2HB   GLN  31          2HB       GLN  31  16.386   3.330   3.330
  254   1HG   GLN  31          1HG       GLN  31  18.509   5.066   5.066
  255   2HG   GLN  31          2HG       GLN  31  17.203   6.216   6.216
  256   1HE2  GLN  31          2HE2      GLN  31  17.355   4.600   4.600
  257   2HE2  GLN  31          1HE2      GLN  31  17.280   3.486   3.486
  258    H    SER  32           H        SER  32  17.095   1.427   1.427
  259    HA   SER  32           HA       SER  32  19.432   0.160   0.160
  260   1HB   SER  32          1HB       SER  32  16.714  -0.504  -0.504
  261   2HB   SER  32          2HB       SER  32  17.573  -1.946  -1.946
  262    HG   SER  32           HG       SER  32  19.387  -1.090  -1.090
  263    H    GLU  33           H        GLU  33  18.354   0.891   0.891
  264    HA   GLU  33           HA       GLU  33  19.076  -1.819  -1.819
  265   1HB   GLU  33          1HB       GLU  33  16.526  -0.292  -0.292
  266   2HB   GLU  33          2HB       GLU  33  17.245  -0.412  -0.412
  267   1HG   GLU  33          1HG       GLU  33  17.358  -3.096  -3.096
  268   2HG   GLU  33          2HG       GLU  33  15.769  -2.464  -2.464
  269    H    LEU  34           H        LEU  34  20.363   0.921   0.921
  270    HA   LEU  34           HA       LEU  34  21.153   1.449   1.449
  271   1HB   LEU  34          1HB       LEU  34  22.719   3.158   3.158
  272   2HB   LEU  34          2HB       LEU  34  21.142   3.303   3.303
  273    HG   LEU  34           HG       LEU  34  23.392   1.685   1.685
  274   1HD1  LEU  34          2HD1      LEU  34  24.241   4.017   4.017
  275   2HD1  LEU  34          3HD1      LEU  34  22.812   4.707   4.707
  276   3HD1  LEU  34          1HD1      LEU  34  23.989   3.742   3.742
  277   1HD2  LEU  34          2HD2      LEU  34  20.871   3.036   3.036
  278   2HD2  LEU  34          3HD2      LEU  34  21.174   1.288   1.288
  279   3HD2  LEU  34          1HD2      LEU  34  22.151   2.241   2.241
  280    H    SER  35           H        SER  35  22.683  -0.044  -0.044
  281    HA   SER  35           HA       SER  35  24.235  -1.770  -1.770
  282   1HB   SER  35          1HB       SER  35  26.072  -0.311  -0.311
  283   2HB   SER  35          2HB       SER  35  26.495  -1.131  -1.131
  284    HG   SER  35           HG       SER  35  26.093   1.431   1.431
  285    H    ALA  36           H        ALA  36  22.180  -2.017  -2.017
  286    HA   ALA  36           HA       ALA  36  22.926  -2.312  -2.312
  287   1HB   ALA  36          2HB       ALA  36  20.554  -2.112  -2.112
  288   2HB   ALA  36          3HB       ALA  36  20.656  -3.712  -3.712
  289   3HB   ALA  36          1HB       ALA  36  20.705  -3.569  -3.569
  290    H    LYS  37           H        LYS  37  22.136  -4.978  -4.978
  291    HA   LYS  37           HA       LYS  37  24.538  -6.460  -6.460
  292   1HB   LYS  37          1HB       LYS  37  22.991  -7.931  -7.931
  293   2HB   LYS  37          2HB       LYS  37  21.665  -7.228  -7.228
  294   1HG   LYS  37          1HG       LYS  37  22.799  -8.599  -8.599
  295   2HG   LYS  37          2HG       LYS  37  23.534  -9.537  -9.537
  296   1HD   LYS  37          1HD       LYS  37  20.727  -9.315  -9.315
  297   2HD   LYS  37          2HD       LYS  37  20.800  -9.576  -9.576
  298   1HE   LYS  37          1HE       LYS  37  21.942 -11.377 -11.377
  299   2HE   LYS  37          2HE       LYS  37  20.851 -11.835 -11.835
  300   1HZ   LYS  37          2HZ       LYS  37  22.963 -10.865 -10.865
  301   2HZ   LYS  37          3HZ       LYS  37  23.724 -11.549 -11.549
  302   3HZ   LYS  37          1HZ       LYS  37  22.717 -12.488 -12.488
  303    H    MET  38           H        MET  38  23.286  -5.070  -5.070
  304    HA   MET  38           HA       MET  38  23.905  -7.353  -7.353
  305   1HB   MET  38          1HB       MET  38  22.259  -4.965  -4.965
  306   2HB   MET  38          2HB       MET  38  23.507  -4.717  -4.717
  307   1HG   MET  38          1HG       MET  38  22.343  -7.455  -7.455
  308   2HG   MET  38          2HG       MET  38  21.114  -6.179  -6.179
  309   1HE   MET  38          1HE       MET  38  20.410  -6.604  -6.604
  310   2HE   MET  38          3HE       MET  38  21.248  -6.273  -6.273
  311   3HE   MET  38          2HE       MET  38  21.527  -7.821  -7.821

  Start of MODEL   15
    1   1H    THR   1          3H        THR   1 -20.703  -9.710  -9.710
    2   2H    THR   1          1H        THR   1 -20.095 -10.890 -10.890
    3   3H    THR   1          2H        THR   1 -21.630 -11.064 -11.064
    4    HA   THR   1           HA       THR   1 -22.106 -10.407 -10.407
    5    HB   THR   1           HB       THR   1 -19.419  -9.538  -9.538
    6    HG1  THR   1           HG1      THR   1 -19.854  -9.088  -9.088
    7   1HG2  THR   1          3HG2      THR   1 -21.172  -7.049  -7.049
    8   2HG2  THR   1          1HG2      THR   1 -19.436  -7.209  -7.209
    9   3HG2  THR   1          2HG2      THR   1 -19.975  -7.161  -7.161
   10    HA   PRO   2           HA       PRO   2 -25.009  -7.208  -7.208
   11   1HB   PRO   2          1HB       PRO   2 -24.013  -5.854  -5.854
   12   2HB   PRO   2          2HB       PRO   2 -25.773  -6.269  -6.269
   13   1HG   PRO   2          1HG       PRO   2 -24.371  -7.837  -7.837
   14   2HG   PRO   2          2HG       PRO   2 -25.493  -8.493  -8.493
   15   1HD   PRO   2          1HD       PRO   2 -22.442  -8.040  -8.040
   16   2HD   PRO   2          2HD       PRO   2 -23.317  -9.582  -9.582
   17    H    ASP   3           H        ASP   3 -25.243  -4.648  -4.648
   18    HA   ASP   3           HA       ASP   3 -23.734  -3.268  -3.268
   19   1HB   ASP   3          1HB       ASP   3 -25.750  -2.238  -2.238
   20   2HB   ASP   3          2HB       ASP   3 -24.911  -2.186  -2.186
   21    H    VAL   4           H        VAL   4 -21.733  -3.366  -3.366
   22    HA   VAL   4           HA       VAL   4 -19.886  -2.958  -2.958
   23    HB   VAL   4           HB       VAL   4 -19.653  -4.933  -4.933
   24   1HG1  VAL   4          1HG2      VAL   4 -18.281  -2.771  -2.771
   25   2HG1  VAL   4          2HG2      VAL   4 -18.180  -4.532  -4.532
   26   3HG1  VAL   4          3HG2      VAL   4 -19.722  -3.718  -3.718
   27   1HG2  VAL   4          2HG1      VAL   4 -17.828  -4.414  -4.414
   28   2HG2  VAL   4          3HG1      VAL   4 -17.175  -5.011  -5.011
   29   3HG2  VAL   4          1HG1      VAL   4 -17.092  -3.271  -3.271
   30    H    SER   5           H        SER   5 -21.458  -0.848  -0.848
   31    HA   SER   5           HA       SER   5 -19.146   0.940   0.940
   32   1HB   SER   5          1HB       SER   5 -22.152   1.067   1.067
   33   2HB   SER   5          2HB       SER   5 -21.338   2.612   2.612
   34    HG   SER   5           HG       SER   5 -19.793   1.446   1.446
   35    H    SER   6           H        SER   6 -21.582   0.407   0.407
   36    HA   SER   6           HA       SER   6 -19.972   2.349   2.349
   37   1HB   SER   6          1HB       SER   6 -21.929   3.221   3.221
   38   2HB   SER   6          2HB       SER   6 -22.336   3.257   3.257
   39    HG   SER   6           HG       SER   6 -24.044   2.252   2.252
   40    H    ALA   7           H        ALA   7 -19.568  -0.394  -0.394
   41    HA   ALA   7           HA       ALA   7 -20.278  -1.449  -1.449
   42   1HB   ALA   7          2HB       ALA   7 -20.744  -2.980  -2.980
   43   2HB   ALA   7          3HB       ALA   7 -19.043  -2.879  -2.879
   44   3HB   ALA   7          1HB       ALA   7 -19.471  -3.680  -3.680
   45    H    LEU   8           H        LEU   8 -17.715  -0.235  -0.235
   46    HA   LEU   8           HA       LEU   8 -15.565  -0.997  -0.997
   47   1HB   LEU   8          1HB       LEU   8 -15.169  -0.280  -0.280
   48   2HB   LEU   8          2HB       LEU   8 -15.696   1.342   1.342
   49    HG   LEU   8           HG       LEU   8 -13.316   0.116   0.116
   50   1HD1  LEU   8          2HD1      LEU   8 -12.883  -0.245  -0.245
   51   2HD1  LEU   8          3HD1      LEU   8 -13.192   1.478   1.478
   52   3HD1  LEU   8          1HD1      LEU   8 -11.796   0.991   0.991
   53   1HD2  LEU   8          2HD2      LEU   8 -14.052   3.032   3.032
   54   2HD2  LEU   8          3HD2      LEU   8 -14.106   2.305   2.305
   55   3HD2  LEU   8          1HD2      LEU   8 -12.548   2.539   2.539
   56    H    ASP   9           H        ASP   9 -17.886   1.575   1.575
   57    HA   ASP   9           HA       ASP   9 -16.731   3.368   3.368
   58   1HB   ASP   9          1HB       ASP   9 -18.882   3.912   3.912
   59   2HB   ASP   9          2HB       ASP   9 -19.691   2.564   2.564
   60    H    LYS  10           H        LYS  10 -18.423   0.355   0.355
   61    HA   LYS  10           HA       LYS  10 -18.719   0.523   0.523
   62   1HB   LYS  10          1HB       LYS  10 -19.076  -1.475  -1.475
   63   2HB   LYS  10          2HB       LYS  10 -17.716  -2.138  -2.138
   64   1HG   LYS  10          1HG       LYS  10 -19.609  -1.205  -1.205
   65   2HG   LYS  10          2HG       LYS  10 -20.574  -1.996  -1.996
   66   1HD   LYS  10          1HD       LYS  10 -18.068  -3.364  -3.364
   67   2HD   LYS  10          2HD       LYS  10 -19.547  -3.315  -3.315
   68   1HE   LYS  10          1HE       LYS  10 -20.726  -4.095  -4.095
   69   2HE   LYS  10          2HE       LYS  10 -19.106  -4.715  -4.715
   70   1HZ   LYS  10          1HZ       LYS  10 -20.227  -5.256  -5.256
   71   2HZ   LYS  10          2HZ       LYS  10 -20.813  -6.126  -6.126
   72   3HZ   LYS  10          3HZ       LYS  10 -19.175  -6.177  -6.177
   73    H    LEU  11           H        LEU  11 -15.899  -0.474  -0.474
   74    HA   LEU  11           HA       LEU  11 -14.178  -0.694  -0.694
   75   1HB   LEU  11          1HB       LEU  11 -13.496  -0.278  -0.278
   76   2HB   LEU  11          2HB       LEU  11 -12.273  -0.489  -0.489
   77    HG   LEU  11           HG       LEU  11 -14.402  -2.554  -2.554
   78   1HD1  LEU  11          2HD1      LEU  11 -12.572  -2.213  -2.213
   79   2HD1  LEU  11          3HD1      LEU  11 -11.336  -2.514  -2.514
   80   3HD1  LEU  11          1HD1      LEU  11 -12.448  -3.813  -3.813
   81   1HD2  LEU  11          2HD2      LEU  11 -12.142  -2.828  -2.828
   82   2HD2  LEU  11          3HD2      LEU  11 -13.896  -2.896  -2.896
   83   3HD2  LEU  11          1HD2      LEU  11 -13.120  -4.182  -4.182
   84    H    LYS  12           H        LYS  12 -13.228   1.539   1.539
   85    HA   LYS  12           HA       LYS  12 -12.296   3.712   3.712
   86   1HB   LYS  12          1HB       LYS  12 -14.690   4.325   4.325
   87   2HB   LYS  12          2HB       LYS  12 -14.678   3.868   3.868
   88   1HG   LYS  12          1HG       LYS  12 -14.350   6.164   6.164
   89   2HG   LYS  12          2HG       LYS  12 -12.655   5.740   5.740
   90   1HD   LYS  12          1HD       LYS  12 -14.187   6.318   6.318
   91   2HD   LYS  12          2HD       LYS  12 -14.123   7.675   7.675
   92   1HE   LYS  12          1HE       LYS  12 -11.805   7.960   7.960
   93   2HE   LYS  12          2HE       LYS  12 -11.480   6.222   6.222
   94   1HZ   LYS  12          3HZ       LYS  12 -12.969   6.908   6.908
   95   2HZ   LYS  12          1HZ       LYS  12 -11.746   8.052   8.052
   96   3HZ   LYS  12          2HZ       LYS  12 -11.363   6.416   6.416
   97    H    GLU  13           H        GLU  13 -13.331   3.810   3.810
   98    HA   GLU  13           HA       GLU  13 -10.925   4.465   4.465
   99   1HB   GLU  13          1HB       GLU  13 -13.078   4.129   4.129
  100   2HB   GLU  13          2HB       GLU  13 -13.049   2.409   2.409
  101   1HG   GLU  13          1HG       GLU  13 -11.640   1.963   1.963
  102   2HG   GLU  13          2HG       GLU  13 -10.642   3.371   3.371
  103    H    PHE  14           H        PHE  14 -11.857   1.054   1.054
  104    HA   PHE  14           HA       PHE  14  -9.435   0.035   0.035
  105   1HB   PHE  14          1HB       PHE  14 -11.127  -1.607  -1.607
  106   2HB   PHE  14          2HB       PHE  14 -11.605  -1.122  -1.122
  107    HD1  PHE  14           HD1      PHE  14  -9.074  -3.069  -3.069
  108    HD2  PHE  14           HD2      PHE  14 -10.586  -2.146  -2.146
  109    HE1  PHE  14           HE1      PHE  14  -7.912  -5.036  -5.036
  110    HE2  PHE  14           HE2      PHE  14  -9.416  -4.117  -4.117
  111    HZ   PHE  14           HZ       PHE  14  -8.092  -5.576  -5.576
  112    H    GLY  15           H        GLY  15  -9.766   1.277   1.277
  113   1HA   GLY  15          1HA       GLY  15  -7.320  -0.257  -0.257
  114   2HA   GLY  15          2HA       GLY  15  -8.262   0.908   0.908
  115    H    ASN  16           H        ASN  16  -8.349   3.076   3.076
  116    HA   ASN  16           HA       ASN  16  -5.818   4.398   4.398
  117   1HB   ASN  16          1HB       ASN  16  -7.752   5.770   5.770
  118   2HB   ASN  16          2HB       ASN  16  -8.213   4.815   4.815
  119   1HD2  ASN  16          1HD2      ASN  16  -6.856   7.620   7.620
  120   2HD2  ASN  16          2HD2      ASN  16  -8.390   6.734   6.734
  121    H    THR  17           H        THR  17  -6.950   2.297   2.297
  122    HA   THR  17           HA       THR  17  -4.987   2.997   2.997
  123    HB   THR  17           HB       THR  17  -6.222   0.227   0.227
  124    HG1  THR  17           HG1      THR  17  -7.674   0.848   0.848
  125   1HG2  THR  17          3HG2      THR  17  -5.034   1.232   1.232
  126   2HG2  THR  17          1HG2      THR  17  -5.920  -0.295  -0.295
  127   3HG2  THR  17          2HG2      THR  17  -4.350  -0.071  -0.071
  128    H    LEU  18           H        LEU  18  -4.847   0.584   0.584
  129    HA   LEU  18           HA       LEU  18  -2.092  -0.248  -0.248
  130   1HB   LEU  18          1HB       LEU  18  -3.227  -0.178  -0.178
  131   2HB   LEU  18          2HB       LEU  18  -2.101  -1.330  -1.330
  132    HG   LEU  18           HG       LEU  18  -5.104  -1.291  -1.291
  133   1HD1  LEU  18          2HD1      LEU  18  -3.778  -2.897  -2.897
  134   2HD1  LEU  18          3HD1      LEU  18  -3.006  -3.570  -3.570
  135   3HD1  LEU  18          1HD1      LEU  18  -4.757  -3.764  -3.764
  136   1HD2  LEU  18          2HD2      LEU  18  -3.511  -2.400  -2.400
  137   2HD2  LEU  18          3HD2      LEU  18  -4.738  -1.109  -1.109
  138   3HD2  LEU  18          1HD2      LEU  18  -5.223  -2.765  -2.765
  139    H    GLU  19           H        GLU  19  -3.445   2.384   2.384
  140    HA   GLU  19           HA       GLU  19  -0.642   3.128   3.128
  141   1HB   GLU  19          1HB       GLU  19  -2.919   3.082   3.082
  142   2HB   GLU  19          2HB       GLU  19  -3.266   4.608   4.608
  143   1HG   GLU  19          1HG       GLU  19  -2.225   5.544   5.544
  144   2HG   GLU  19          2HG       GLU  19  -0.731   5.199   5.199
  145    H    ASP  20           H        ASP  20  -1.524   3.346   3.346
  146    HA   ASP  20           HA       ASP  20  -0.555   6.226   6.226
  147   1HB   ASP  20          1HB       ASP  20  -3.120   5.428   5.428
  148   2HB   ASP  20          2HB       ASP  20  -2.178   5.209   5.209
  149    H    LYS  21           H        LYS  21  -0.861   3.135   3.135
  150    HA   LYS  21           HA       LYS  21   1.482   3.883   3.883
  151   1HB   LYS  21          1HB       LYS  21   0.663   2.264   2.264
  152   2HB   LYS  21          2HB       LYS  21  -0.792   2.355   2.355
  153   1HG   LYS  21          1HG       LYS  21   1.087   0.484   0.484
  154   2HG   LYS  21          2HG       LYS  21   0.994   0.077   0.077
  155   1HD   LYS  21          1HD       LYS  21  -1.286  -0.544  -0.544
  156   2HD   LYS  21          2HD       LYS  21  -1.607   0.582   0.582
  157   1HE   LYS  21          1HE       LYS  21  -1.508  -1.450  -1.450
  158   2HE   LYS  21          2HE       LYS  21   0.181  -0.938  -0.938
  159   1HZ   LYS  21          1HZ       LYS  21   0.419  -2.206  -2.206
  160   2HZ   LYS  21          2HZ       LYS  21  -0.979  -2.996  -2.996
  161   3HZ   LYS  21          3HZ       LYS  21   0.402  -3.049  -3.049
  162    H    ALA  22           H        ALA  22   0.814   2.010   2.010
  163    HA   ALA  22           HA       ALA  22   3.489   0.699   0.699
  164   1HB   ALA  22          2HB       ALA  22   1.512  -0.215  -0.215
  165   2HB   ALA  22          3HB       ALA  22   1.461   1.247   1.247
  166   3HB   ALA  22          1HB       ALA  22   2.846   0.133   0.133
  167    H    ARG  23           H        ARG  23   2.319   3.836   3.836
  168    HA   ARG  23           HA       ARG  23   4.530   4.703   4.703
  169   1HB   ARG  23          1HB       ARG  23   2.337   5.913   5.913
  170   2HB   ARG  23          2HB       ARG  23   3.787   6.781   6.781
  171   1HG   ARG  23          1HG       ARG  23   3.602   8.018   8.018
  172   2HG   ARG  23          2HG       ARG  23   3.949   6.562   6.562
  173   1HD   ARG  23          1HD       ARG  23   1.671   6.171   6.171
  174   2HD   ARG  23          2HD       ARG  23   1.096   6.903   6.903
  175    HE   ARG  23           HE       ARG  23   2.210   9.110   9.110
  176   1HH1  ARG  23          2HH2      ARG  23   0.122   6.713   6.713
  177   2HH1  ARG  23          1HH2      ARG  23  -0.578   7.914   7.914
  178   1HH2  ARG  23          1HH1      ARG  23   1.406  10.351  10.351
  179   2HH2  ARG  23          2HH1      ARG  23   0.116   9.894   9.894
  180    H    GLU  24           H        GLU  24   4.252   4.408   4.408
  181    HA   GLU  24           HA       GLU  24   6.869   5.776   5.776
  182   1HB   GLU  24          1HB       GLU  24   5.335   3.999   3.999
  183   2HB   GLU  24          2HB       GLU  24   6.477   5.264   5.264
  184   1HG   GLU  24          1HG       GLU  24   4.894   7.027   7.027
  185   2HG   GLU  24          2HG       GLU  24   3.926   6.070   6.070
  186    H    LEU  25           H        LEU  25   5.694   2.455   2.455
  187    HA   LEU  25           HA       LEU  25   8.334   1.279   1.279
  188   1HB   LEU  25          1HB       LEU  25   6.750  -0.374  -0.374
  189   2HB   LEU  25          2HB       LEU  25   5.628   0.326   0.326
  190    HG   LEU  25           HG       LEU  25   8.052  -1.170  -1.170
  191   1HD1  LEU  25          2HD1      LEU  25   7.162  -2.646  -2.646
  192   2HD1  LEU  25          3HD1      LEU  25   5.525  -2.555  -2.555
  193   3HD1  LEU  25          1HD1      LEU  25   6.839  -3.346  -3.346
  194   1HD2  LEU  25          2HD2      LEU  25   5.111  -0.911  -0.911
  195   2HD2  LEU  25          3HD2      LEU  25   6.537  -0.115  -0.115
  196   3HD2  LEU  25          1HD2      LEU  25   6.373  -1.871  -1.871
  197    H    ILE  26           H        ILE  26   6.913   2.532   2.532
  198    HA   ILE  26           HA       ILE  26   8.801   1.224   1.224
  199    HB   ILE  26           HB       ILE  26   6.953   3.635   3.635
  200   1HG1  ILE  26          1HG1      ILE  26   7.173   1.478   1.478
  201   2HG1  ILE  26          2HG1      ILE  26   6.393   1.091   1.091
  202   1HG2  ILE  26          2HG2      ILE  26   9.014   4.542   4.542
  203   2HG2  ILE  26          3HG2      ILE  26   9.071   3.097   3.097
  204   3HG2  ILE  26          1HG2      ILE  26   7.734   4.261   4.261
  205   1HD1  ILE  26          2HD1      ILE  26   4.731   2.968   2.968
  206   2HD1  ILE  26          3HD1      ILE  26   5.422   3.328   3.328
  207   3HD1  ILE  26          1HD1      ILE  26   4.657   1.759   1.759
  208    H    SER  27           H        SER  27   9.013   4.004   4.004
  209    HA   SER  27           HA       SER  27  11.577   4.960   4.960
  210   1HB   SER  27          1HB       SER  27  11.029   6.567   6.567
  211   2HB   SER  27          2HB       SER  27   9.897   5.523   5.523
  212    HG   SER  27           HG       SER  27  12.135   6.373   6.373
  213    H    ARG  28           H        ARG  28  10.721   2.490   2.490
  214    HA   ARG  28           HA       ARG  28  13.541   1.729   1.729
  215   1HB   ARG  28          1HB       ARG  28  11.672   1.094   1.094
  216   2HB   ARG  28          2HB       ARG  28  10.858   0.202   0.202
  217   1HG   ARG  28          1HG       ARG  28  13.356  -1.125  -1.125
  218   2HG   ARG  28          2HG       ARG  28  13.216  -0.599  -0.599
  219   1HD   ARG  28          1HD       ARG  28  10.852  -1.669  -1.669
  220   2HD   ARG  28          2HD       ARG  28  11.192  -2.316  -2.316
  221    HE   ARG  28           HE       ARG  28  12.861  -3.782  -3.782
  222   1HH1  ARG  28          2HH2      ARG  28  11.669  -1.692  -1.692
  223   2HH1  ARG  28          1HH2      ARG  28  12.454  -2.704  -2.704
  224   1HH2  ARG  28          1HH1      ARG  28  13.680  -4.826  -4.826
  225   2HH2  ARG  28          2HH1      ARG  28  13.546  -4.411  -4.411
  226    H    ILE  29           H        ILE  29  11.294   1.120   1.120
  227    HA   ILE  29           HA       ILE  29  12.539  -1.447  -1.447
  228    HB   ILE  29           HB       ILE  29  10.454   0.425   0.425
  229   1HG1  ILE  29          1HG1      ILE  29   9.972  -2.527  -2.527
  230   2HG1  ILE  29          2HG1      ILE  29  10.264  -1.989  -1.989
  231   1HG2  ILE  29          2HG2      ILE  29  11.855  -0.070  -0.070
  232   2HG2  ILE  29          3HG2      ILE  29  11.745  -1.816  -1.816
  233   3HG2  ILE  29          1HG2      ILE  29  10.309  -0.869  -0.869
  234   1HD1  ILE  29          2HD1      ILE  29   8.426  -0.269  -0.269
  235   2HD1  ILE  29          3HD1      ILE  29   8.022  -0.860  -0.860
  236   3HD1  ILE  29          1HD1      ILE  29   7.856  -1.937  -1.937
  237    H    LYS  30           H        LYS  30  12.871   1.911   1.911
  238    HA   LYS  30           HA       LYS  30  14.506   1.515   1.515
  239   1HB   LYS  30          1HB       LYS  30  14.369   3.805   3.805
  240   2HB   LYS  30          2HB       LYS  30  13.629   3.731   3.731
  241   1HG   LYS  30          1HG       LYS  30  16.602   3.401   3.401
  242   2HG   LYS  30          2HG       LYS  30  16.170   4.877   4.877
  243   1HD   LYS  30          1HD       LYS  30  14.624   4.403   4.403
  244   2HD   LYS  30          2HD       LYS  30  16.380   4.513   4.513
  245   1HE   LYS  30          1HE       LYS  30  14.517   6.624   6.624
  246   2HE   LYS  30          2HE       LYS  30  15.609   6.834   6.834
  247   1HZ   LYS  30          1HZ       LYS  30  17.392   6.110   6.110
  248   2HZ   LYS  30          2HZ       LYS  30  16.251   6.709   6.709
  249   3HZ   LYS  30          3HZ       LYS  30  16.870   7.703   7.703
  250    H    GLN  31           H        GLN  31  15.305   1.291   1.291
  251    HA   GLN  31           HA       GLN  31  18.254   1.446   1.446
  252   1HB   GLN  31          1HB       GLN  31  16.646   2.228   2.228
  253   2HB   GLN  31          2HB       GLN  31  17.296   0.709   0.709
  254   1HG   GLN  31          1HG       GLN  31  19.684   1.833   1.833
  255   2HG   GLN  31          2HG       GLN  31  18.782   3.321   3.321
  256   1HE2  GLN  31          2HE2      GLN  31  19.102   3.230   3.230
  257   2HE2  GLN  31          1HE2      GLN  31  18.348   4.059   4.059
  258    H    SER  32           H        SER  32  16.530  -0.847  -0.847
  259    HA   SER  32           HA       SER  32  18.769  -2.720  -2.720
  260   1HB   SER  32          1HB       SER  32  17.088  -2.796  -2.796
  261   2HB   SER  32          2HB       SER  32  16.561  -4.190  -4.190
  262    HG   SER  32           HG       SER  32  18.247  -5.050  -5.050
  263    H    GLU  33           H        GLU  33  17.020  -1.543  -1.543
  264    HA   GLU  33           HA       GLU  33  16.378  -4.212  -4.212
  265   1HB   GLU  33          1HB       GLU  33  14.584  -1.945  -1.945
  266   2HB   GLU  33          2HB       GLU  33  14.660  -2.124  -2.124
  267   1HG   GLU  33          1HG       GLU  33  14.249  -4.807  -4.807
  268   2HG   GLU  33          2HG       GLU  33  13.155  -3.731  -3.731
  269    H    LEU  34           H        LEU  34  18.702  -2.407  -2.407
  270    HA   LEU  34           HA       LEU  34  18.566  -0.692  -0.692
  271   1HB   LEU  34          1HB       LEU  34  21.068  -0.611  -0.611
  272   2HB   LEU  34          2HB       LEU  34  20.302  -0.293  -0.293
  273    HG   LEU  34           HG       LEU  34  21.031  -3.168  -3.168
  274   1HD1  LEU  34          2HD1      LEU  34  22.925  -2.091  -2.091
  275   2HD1  LEU  34          3HD1      LEU  34  23.279  -1.039  -1.039
  276   3HD1  LEU  34          1HD1      LEU  34  23.497  -2.801  -2.801
  277   1HD2  LEU  34          2HD2      LEU  34  21.620  -1.113  -1.113
  278   2HD2  LEU  34          3HD2      LEU  34  20.337  -2.348  -2.348
  279   3HD2  LEU  34          1HD2      LEU  34  22.029  -2.850  -2.850
  280    H    SER  35           H        SER  35  19.303  -4.055  -4.055
  281    HA   SER  35           HA       SER  35  20.111  -5.690  -5.690
  282   1HB   SER  35          1HB       SER  35  18.048  -4.131  -4.131
  283   2HB   SER  35          2HB       SER  35  19.179  -4.938  -4.938
  284    HG   SER  35           HG       SER  35  18.373  -6.814  -6.814
  285    H    ALA  36           H        ALA  36  21.701  -3.419  -3.419
  286    HA   ALA  36           HA       ALA  36  23.162  -2.986  -2.986
  287   1HB   ALA  36          2HB       ALA  36  22.170  -0.895  -0.895
  288   2HB   ALA  36          3HB       ALA  36  23.040  -1.188  -1.188
  289   3HB   ALA  36          1HB       ALA  36  23.941  -0.800  -0.800
  290    H    LYS  37           H        LYS  37  23.476  -5.298  -5.298
  291    HA   LYS  37           HA       LYS  37  25.171  -6.623  -6.623
  292   1HB   LYS  37          1HB       LYS  37  26.330  -5.203  -5.203
  293   2HB   LYS  37          2HB       LYS  37  27.395  -4.730  -4.730
  294   1HG   LYS  37          1HG       LYS  37  26.767  -7.632  -7.632
  295   2HG   LYS  37          2HG       LYS  37  28.279  -6.761  -6.761
  296   1HD   LYS  37          1HD       LYS  37  27.767  -6.745  -6.745
  297   2HD   LYS  37          2HD       LYS  37  27.322  -8.367  -8.367
  298   1HE   LYS  37          1HE       LYS  37  30.052  -7.036  -7.036
  299   2HE   LYS  37          2HE       LYS  37  29.648  -8.746  -8.746
  300   1HZ   LYS  37          1HZ       LYS  37  28.998  -8.742  -8.742
  301   2HZ   LYS  37          2HZ       LYS  37  29.715  -7.227  -7.227
  302   3HZ   LYS  37          3HZ       LYS  37  30.638  -8.559  -8.559
  303    H    MET  38           H        MET  38  23.962  -5.308  -5.308
  304    HA   MET  38           HA       MET  38  25.443  -3.579  -3.579
  305   1HB   MET  38          1HB       MET  38  23.056  -5.057  -5.057
  306   2HB   MET  38          2HB       MET  38  24.060  -5.895  -5.895
  307   1HG   MET  38          1HG       MET  38  24.093  -2.885  -2.885
  308   2HG   MET  38          2HG       MET  38  22.532  -3.679  -3.679
  309   1HE   MET  38          1HE       MET  38  22.142  -5.663  -5.663
  310   2HE   MET  38          3HE       MET  38  23.585  -6.720  -6.720
  311   3HE   MET  38          2HE       MET  38  23.028  -6.113  -6.113

  Start of MODEL   16
    1   1H    THR   1          3H        THR   1 -21.164 -10.600 -10.600
    2   2H    THR   1          1H        THR   1 -19.816  -9.688  -9.688
    3   3H    THR   1          2H        THR   1 -19.647 -11.322 -11.322
    4    HA   THR   1           HA       THR   1 -19.678 -11.055 -11.055
    5    HB   THR   1           HB       THR   1 -19.176  -8.080  -8.080
    6    HG1  THR   1           HG1      THR   1 -17.148  -8.602  -8.602
    7   1HG2  THR   1          3HG2      THR   1 -17.497 -10.187 -10.187
    8   2HG2  THR   1          1HG2      THR   1 -17.120  -8.451  -8.451
    9   3HG2  THR   1          2HG2      THR   1 -18.560  -8.971  -8.971
   10    HA   PRO   2           HA       PRO   2 -23.380  -9.555  -9.555
   11   1HB   PRO   2          1HB       PRO   2 -21.460  -8.683  -8.683
   12   2HB   PRO   2          2HB       PRO   2 -23.026  -9.738  -9.738
   13   1HG   PRO   2          1HG       PRO   2 -20.439 -10.848 -10.848
   14   2HG   PRO   2          2HG       PRO   2 -21.943 -11.580 -11.580
   15   1HD   PRO   2          1HD       PRO   2 -19.552  -9.788  -9.788
   16   2HD   PRO   2          2HD       PRO   2 -20.104 -11.382 -11.382
   17    H    ASP   3           H        ASP   3 -23.482  -7.612  -7.612
   18    HA   ASP   3           HA       ASP   3 -23.888  -5.184  -5.184
   19   1HB   ASP   3          1HB       ASP   3 -24.472  -5.192  -5.192
   20   2HB   ASP   3          2HB       ASP   3 -22.911  -5.821  -5.821
   21    H    VAL   4           H        VAL   4 -20.829  -6.020  -6.020
   22    HA   VAL   4           HA       VAL   4 -18.620  -5.256  -5.256
   23    HB   VAL   4           HB       VAL   4 -19.447  -6.826  -6.826
   24   1HG1  VAL   4          1HG2      VAL   4 -19.240  -4.224  -4.224
   25   2HG1  VAL   4          2HG2      VAL   4 -19.326  -5.878  -5.878
   26   3HG1  VAL   4          3HG2      VAL   4 -20.699  -5.220  -5.220
   27   1HG2  VAL   4          2HG1      VAL   4 -16.987  -6.447  -6.447
   28   2HG2  VAL   4          3HG1      VAL   4 -17.304  -6.652  -6.652
   29   3HG2  VAL   4          1HG1      VAL   4 -16.994  -5.024  -5.024
   30    H    SER   5           H        SER   5 -20.593  -3.200  -3.200
   31    HA   SER   5           HA       SER   5 -19.181  -0.997  -0.997
   32   1HB   SER   5          1HB       SER   5 -21.735  -1.710  -1.710
   33   2HB   SER   5          2HB       SER   5 -22.149  -0.600  -0.600
   34    HG   SER   5           HG       SER   5 -21.665   0.078   0.078
   35    H    SER   6           H        SER   6 -21.428  -1.675  -1.675
   36    HA   SER   6           HA       SER   6 -19.921   0.446   0.446
   37   1HB   SER   6          1HB       SER   6 -22.651  -0.905  -0.905
   38   2HB   SER   6          2HB       SER   6 -21.873  -0.062  -0.062
   39    HG   SER   6           HG       SER   6 -23.393   1.117   1.117
   40    H    ALA   7           H        ALA   7 -18.750  -2.016  -2.016
   41    HA   ALA   7           HA       ALA   7 -18.655  -3.491  -3.491
   42   1HB   ALA   7          2HB       ALA   7 -18.962  -4.862  -4.862
   43   2HB   ALA   7          3HB       ALA   7 -17.460  -4.194  -4.194
   44   3HB   ALA   7          1HB       ALA   7 -17.402  -5.253  -5.253
   45    H    LEU   8           H        LEU   8 -16.863  -1.374  -1.374
   46    HA   LEU   8           HA       LEU   8 -14.377  -1.620  -1.620
   47   1HB   LEU   8          1HB       LEU   8 -14.661  -0.723  -0.723
   48   2HB   LEU   8          2HB       LEU   8 -15.128   0.792   0.792
   49    HG   LEU   8           HG       LEU   8 -12.646   0.404   0.404
   50   1HD1  LEU   8          2HD1      LEU   8 -13.479   2.452   2.452
   51   2HD1  LEU   8          3HD1      LEU   8 -13.250   1.655   1.655
   52   3HD1  LEU   8          1HD1      LEU   8 -11.847   2.022   2.022
   53   1HD2  LEU   8          2HD2      LEU   8 -12.521  -0.935  -0.935
   54   2HD2  LEU   8          3HD2      LEU   8 -12.126  -1.689  -1.689
   55   3HD2  LEU   8          1HD2      LEU   8 -11.102  -0.393  -0.393
   56    H    ASP   9           H        ASP   9 -17.283   0.287   0.287
   57    HA   ASP   9           HA       ASP   9 -16.589   2.238   2.238
   58   1HB   ASP   9          1HB       ASP   9 -18.910   2.035   2.035
   59   2HB   ASP   9          2HB       ASP   9 -19.181   0.547   0.547
   60    H    LYS  10           H        LYS  10 -17.225  -1.167  -1.167
   61    HA   LYS  10           HA       LYS  10 -17.379  -1.172  -1.172
   62   1HB   LYS  10          1HB       LYS  10 -17.725  -3.180  -3.180
   63   2HB   LYS  10          2HB       LYS  10 -15.983  -3.288  -3.288
   64   1HG   LYS  10          1HG       LYS  10 -15.858  -3.520  -3.520
   65   2HG   LYS  10          2HG       LYS  10 -17.603  -3.758  -3.758
   66   1HD   LYS  10          1HD       LYS  10 -15.451  -5.467  -5.467
   67   2HD   LYS  10          2HD       LYS  10 -16.280  -5.893  -5.893
   68   1HE   LYS  10          1HE       LYS  10 -18.508  -5.367  -5.367
   69   2HE   LYS  10          2HE       LYS  10 -17.402  -5.880  -5.880
   70   1HZ   LYS  10          2HZ       LYS  10 -16.870  -7.748  -7.748
   71   2HZ   LYS  10          3HZ       LYS  10 -18.457  -7.417  -7.417
   72   3HZ   LYS  10          1HZ       LYS  10 -18.107  -7.892  -7.892
   73    H    LEU  11           H        LEU  11 -14.540  -1.220  -1.220
   74    HA   LEU  11           HA       LEU  11 -12.698  -1.116  -1.116
   75   1HB   LEU  11          1HB       LEU  11 -12.228  -0.630  -0.630
   76   2HB   LEU  11          2HB       LEU  11 -10.945  -0.580  -0.580
   77    HG   LEU  11           HG       LEU  11 -12.668  -3.034  -3.034
   78   1HD1  LEU  11          2HD1      LEU  11 -11.045  -2.371  -2.371
   79   2HD1  LEU  11          3HD1      LEU  11  -9.701  -2.401  -2.401
   80   3HD1  LEU  11          1HD1      LEU  11 -10.563  -3.902  -3.902
   81   1HD2  LEU  11          2HD2      LEU  11 -10.274  -2.823  -2.823
   82   2HD2  LEU  11          3HD2      LEU  11 -11.960  -3.229  -3.229
   83   3HD2  LEU  11          1HD2      LEU  11 -11.003  -4.353  -4.353
   84    H    LYS  12           H        LYS  12 -12.323   1.211   1.211
   85    HA   LYS  12           HA       LYS  12 -11.947   3.554   3.554
   86   1HB   LYS  12          1HB       LYS  12 -14.442   3.481   3.481
   87   2HB   LYS  12          2HB       LYS  12 -14.204   3.256   3.256
   88   1HG   LYS  12          1HG       LYS  12 -14.656   5.615   5.615
   89   2HG   LYS  12          2HG       LYS  12 -12.906   5.549   5.549
   90   1HD   LYS  12          1HD       LYS  12 -13.379   5.394   5.394
   91   2HD   LYS  12          2HD       LYS  12 -14.591   6.542   6.542
   92   1HE   LYS  12          1HE       LYS  12 -12.173   7.182   7.182
   93   2HE   LYS  12          2HE       LYS  12 -11.646   6.931   6.931
   94   1HZ   LYS  12          1HZ       LYS  12 -14.115   8.389   8.389
   95   2HZ   LYS  12          2HZ       LYS  12 -12.867   9.160   9.160
   96   3HZ   LYS  12          3HZ       LYS  12 -12.683   8.760   8.760
   97    H    GLU  13           H        GLU  13 -12.892   3.553   3.553
   98    HA   GLU  13           HA       GLU  13 -10.646   4.749   4.749
   99   1HB   GLU  13          1HB       GLU  13 -12.881   3.380   3.380
  100   2HB   GLU  13          2HB       GLU  13 -11.637   2.266   2.266
  101   1HG   GLU  13          1HG       GLU  13 -12.275   5.053   5.053
  102   2HG   GLU  13          2HG       GLU  13 -11.850   3.619   3.619
  103    H    PHE  14           H        PHE  14 -10.844   1.226   1.226
  104    HA   PHE  14           HA       PHE  14  -8.314   0.572   0.572
  105   1HB   PHE  14          1HB       PHE  14  -9.275  -1.471  -1.471
  106   2HB   PHE  14          2HB       PHE  14 -10.284  -0.857  -0.857
  107    HD1  PHE  14           HD2      PHE  14  -6.866  -2.241  -2.241
  108    HD2  PHE  14           HD1      PHE  14  -9.750  -1.186  -1.186
  109    HE1  PHE  14           HE2      PHE  14  -5.504  -3.373  -3.373
  110    HE2  PHE  14           HE1      PHE  14  -8.393  -2.329  -2.329
  111    HZ   PHE  14           HZ       PHE  14  -6.268  -3.427  -3.427
  112    H    GLY  15           H        GLY  15  -8.937   1.820   1.820
  113   1HA   GLY  15          1HA       GLY  15  -6.206   0.959   0.959
  114   2HA   GLY  15          2HA       GLY  15  -7.397   1.912   1.912
  115    H    ASN  16           H        ASN  16  -7.945   3.948   3.948
  116    HA   ASN  16           HA       ASN  16  -5.926   5.903   5.903
  117   1HB   ASN  16          1HB       ASN  16  -8.399   5.895   5.895
  118   2HB   ASN  16          2HB       ASN  16  -7.528   5.702   5.702
  119   1HD2  ASN  16          1HD2      ASN  16  -8.119   9.323   9.323
  120   2HD2  ASN  16          2HD2      ASN  16  -9.138   7.810   7.810
  121    H    THR  17           H        THR  17  -6.106   3.347   3.347
  122    HA   THR  17           HA       THR  17  -4.088   4.541   4.541
  123    HB   THR  17           HB       THR  17  -4.750   1.536   1.536
  124    HG1  THR  17           HG1      THR  17  -6.381   1.959   1.959
  125   1HG2  THR  17          3HG2      THR  17  -3.983   3.173   3.173
  126   2HG2  THR  17          1HG2      THR  17  -4.426   1.448   1.448
  127   3HG2  THR  17          2HG2      THR  17  -2.938   1.978   1.978
  128    H    LEU  18           H        LEU  18  -3.959   2.111   2.111
  129    HA   LEU  18           HA       LEU  18  -1.047   1.748   1.748
  130   1HB   LEU  18          1HB       LEU  18  -2.607   1.726   1.726
  131   2HB   LEU  18          2HB       LEU  18  -1.233   0.740   0.740
  132    HG   LEU  18           HG       LEU  18  -4.174   0.382   0.382
  133   1HD1  LEU  18          3HD2      LEU  18  -3.057  -0.849  -0.849
  134   2HD1  LEU  18          1HD2      LEU  18  -2.035  -1.705  -1.705
  135   3HD1  LEU  18          2HD2      LEU  18  -3.805  -1.934  -1.934
  136   1HD2  LEU  18          2HD1      LEU  18  -2.920   0.358   0.358
  137   2HD2  LEU  18          3HD1      LEU  18  -3.618  -1.231  -1.231
  138   3HD2  LEU  18          1HD1      LEU  18  -1.877  -0.935  -0.935
  139    H    GLU  19           H        GLU  19  -3.062   4.262   4.262
  140    HA   GLU  19           HA       GLU  19  -0.664   5.400   5.400
  141   1HB   GLU  19          1HB       GLU  19  -3.196   5.118   5.118
  142   2HB   GLU  19          2HB       GLU  19  -3.515   6.561   6.561
  143   1HG   GLU  19          1HG       GLU  19  -1.788   7.835   7.835
  144   2HG   GLU  19          2HG       GLU  19  -1.496   6.392   6.392
  145    H    ASP  20           H        ASP  20  -0.911   5.382   5.382
  146    HA   ASP  20           HA       ASP  20  -0.086   8.295   8.295
  147   1HB   ASP  20          1HB       ASP  20  -2.525   7.736   7.736
  148   2HB   ASP  20          2HB       ASP  20  -1.593   7.044   7.044
  149    H    LYS  21           H        LYS  21  -0.119   5.148   5.148
  150    HA   LYS  21           HA       LYS  21   2.423   5.897   5.897
  151   1HB   LYS  21          1HB       LYS  21   1.894   4.163   4.163
  152   2HB   LYS  21          2HB       LYS  21   0.280   4.422   4.422
  153   1HG   LYS  21          1HG       LYS  21   1.360   2.558   2.558
  154   2HG   LYS  21          2HG       LYS  21   2.145   2.078   2.078
  155   1HD   LYS  21          1HD       LYS  21  -0.581   2.431   2.431
  156   2HD   LYS  21          2HD       LYS  21  -0.681   1.802   1.802
  157   1HE   LYS  21          1HE       LYS  21  -0.192  -0.313  -0.313
  158   2HE   LYS  21          2HE       LYS  21   1.422   0.248   0.248
  159   1HZ   LYS  21          2HZ       LYS  21  -0.548   1.156   1.156
  160   2HZ   LYS  21          3HZ       LYS  21  -0.578  -0.518  -0.518
  161   3HZ   LYS  21          1HZ       LYS  21   0.851   0.261   0.261
  162    H    ALA  22           H        ALA  22   1.521   4.363   4.363
  163    HA   ALA  22           HA       ALA  22   4.221   3.025   3.025
  164   1HB   ALA  22          2HB       ALA  22   2.170   1.964   1.964
  165   2HB   ALA  22          3HB       ALA  22   1.909   3.395   3.395
  166   3HB   ALA  22          1HB       ALA  22   3.339   2.364   2.364
  167    H    ARG  23           H        ARG  23   3.056   6.153   6.153
  168    HA   ARG  23           HA       ARG  23   4.909   7.014   7.014
  169   1HB   ARG  23          1HB       ARG  23   3.102   8.249   8.249
  170   2HB   ARG  23          2HB       ARG  23   4.600   9.156   9.156
  171   1HG   ARG  23          1HG       ARG  23   3.259  10.243  10.243
  172   2HG   ARG  23          2HG       ARG  23   4.183   9.121   9.121
  173   1HD   ARG  23          1HD       ARG  23   2.229   7.452   7.452
  174   2HD   ARG  23          2HD       ARG  23   1.309   8.686   8.686
  175    HE   ARG  23           HE       ARG  23   2.226   8.933   8.933
  176   1HH1  ARG  23          2HH2      ARG  23   0.372  10.270  10.270
  177   2HH1  ARG  23          1HH2      ARG  23  -0.519  11.429  11.429
  178   1HH2  ARG  23          2HH1      ARG  23  -0.061  11.406  11.406
  179   2HH2  ARG  23          1HH1      ARG  23   1.221  10.210  10.210
  180    H    GLU  24           H        GLU  24   5.189   6.800   6.800
  181    HA   GLU  24           HA       GLU  24   7.920   7.997   7.997
  182   1HB   GLU  24          1HB       GLU  24   6.659   6.236   6.236
  183   2HB   GLU  24          2HB       GLU  24   7.928   7.417   7.417
  184   1HG   GLU  24          1HG       GLU  24   6.411   9.284   9.284
  185   2HG   GLU  24          2HG       GLU  24   5.204   8.425   8.425
  186    H    LEU  25           H        LEU  25   6.571   4.749   4.749
  187    HA   LEU  25           HA       LEU  25   9.250   3.478   3.478
  188   1HB   LEU  25          1HB       LEU  25   7.644   2.004   2.004
  189   2HB   LEU  25          2HB       LEU  25   6.388   2.588   2.588
  190    HG   LEU  25           HG       LEU  25   8.590   0.898   0.898
  191   1HD1  LEU  25          2HD1      LEU  25   8.067  -0.296  -0.296
  192   2HD1  LEU  25          3HD1      LEU  25   6.330  -0.287  -0.287
  193   3HD1  LEU  25          1HD1      LEU  25   7.473  -1.211  -1.211
  194   1HD2  LEU  25          2HD2      LEU  25   5.522   1.049   1.049
  195   2HD2  LEU  25          3HD2      LEU  25   6.785   1.721   1.721
  196   3HD2  LEU  25          1HD2      LEU  25   6.631  -0.031  -0.031
  197    H    ILE  26           H        ILE  26   7.290   4.575   4.575
  198    HA   ILE  26           HA       ILE  26   8.703   3.166   3.166
  199    HB   ILE  26           HB       ILE  26   7.100   5.723   5.723
  200   1HG1  ILE  26          1HG1      ILE  26   6.906   3.678   3.678
  201   2HG1  ILE  26          2HG1      ILE  26   6.241   3.307   3.307
  202   1HG2  ILE  26          2HG2      ILE  26   9.049   6.591   6.591
  203   2HG2  ILE  26          3HG2      ILE  26   8.871   5.228   5.228
  204   3HG2  ILE  26          1HG2      ILE  26   7.615   6.476   6.476
  205   1HD1  ILE  26          2HD1      ILE  26   4.745   5.337   5.337
  206   2HD1  ILE  26          3HD1      ILE  26   5.312   5.692   5.692
  207   3HD1  ILE  26          1HD1      ILE  26   4.434   4.189   4.189
  208    H    SER  27           H        SER  27   9.643   5.845   5.845
  209    HA   SER  27           HA       SER  27  12.083   6.473   6.473
  210   1HB   SER  27          1HB       SER  27  11.929   8.122   8.122
  211   2HB   SER  27          2HB       SER  27  10.989   7.140   7.140
  212    HG   SER  27           HG       SER  27  13.821   6.956   6.956
  213    H    ARG  28           H        ARG  28  11.375   4.155   4.155
  214    HA   ARG  28           HA       ARG  28  14.047   2.940   2.940
  215   1HB   ARG  28          1HB       ARG  28  12.010   2.613   2.613
  216   2HB   ARG  28          2HB       ARG  28  11.373   1.464   1.464
  217   1HG   ARG  28          1HG       ARG  28  14.025   0.502   0.502
  218   2HG   ARG  28          2HG       ARG  28  13.679   1.187   1.187
  219   1HD   ARG  28          1HD       ARG  28  11.482  -0.186  -0.186
  220   2HD   ARG  28          2HD       ARG  28  12.022  -0.950  -0.950
  221    HE   ARG  28           HE       ARG  28  13.799  -2.068  -2.068
  222   1HH1  ARG  28          2HH2      ARG  28  12.139   0.069   0.069
  223   2HH1  ARG  28          1HH2      ARG  28  12.928  -0.696  -0.696
  224   1HH2  ARG  28          1HH1      ARG  28  14.610  -2.848  -2.848
  225   2HH2  ARG  28          2HH1      ARG  28  14.270  -2.284  -2.284
  226    H    ILE  29           H        ILE  29  11.402   2.773   2.773
  227    HA   ILE  29           HA       ILE  29  12.137   0.084   0.084
  228    HB   ILE  29           HB       ILE  29  10.135   2.240   2.240
  229   1HG1  ILE  29          1HG1      ILE  29   9.276  -0.612  -0.612
  230   2HG1  ILE  29          2HG1      ILE  29   9.909  -0.260  -0.260
  231   1HG2  ILE  29          2HG2      ILE  29  11.123   1.760   1.760
  232   2HG2  ILE  29          3HG2      ILE  29  10.866   0.015   0.015
  233   3HG2  ILE  29          1HG2      ILE  29   9.496   1.137   1.137
  234   1HD1  ILE  29          2HD1      ILE  29   8.301   1.658   1.658
  235   2HD1  ILE  29          3HD1      ILE  29   7.552   1.266   1.266
  236   3HD1  ILE  29          1HD1      ILE  29   7.496   0.091   0.091
  237    H    LYS  30           H        LYS  30  12.688   3.414   3.414
  238    HA   LYS  30           HA       LYS  30  14.231   2.974   2.974
  239   1HB   LYS  30          1HB       LYS  30  14.308   5.028   5.028
  240   2HB   LYS  30          2HB       LYS  30  15.700   4.998   4.998
  241   1HG   LYS  30          1HG       LYS  30  13.925   6.645   6.645
  242   2HG   LYS  30          2HG       LYS  30  14.267   5.425   5.425
  243   1HD   LYS  30          1HD       LYS  30  12.046   4.882   4.882
  244   2HD   LYS  30          2HD       LYS  30  12.081   4.466   4.466
  245   1HE   LYS  30          1HE       LYS  30  10.454   6.362   6.362
  246   2HE   LYS  30          2HE       LYS  30  11.749   6.870   6.870
  247   1HZ   LYS  30          1HZ       LYS  30  11.974   7.246   7.246
  248   2HZ   LYS  30          2HZ       LYS  30  11.237   8.379   8.379
  249   3HZ   LYS  30          3HZ       LYS  30  12.858   7.990   7.990
  250    H    GLN  31           H        GLN  31  15.248   2.736   2.736
  251    HA   GLN  31           HA       GLN  31  18.008   1.915   1.915
  252   1HB   GLN  31          1HB       GLN  31  17.053   3.515   3.515
  253   2HB   GLN  31          2HB       GLN  31  17.354   1.996   1.996
  254   1HG   GLN  31          1HG       GLN  31  19.794   2.122   2.122
  255   2HG   GLN  31          2HG       GLN  31  19.404   3.791   3.791
  256   1HE2  GLN  31          2HE2      GLN  31  19.419   4.004   4.004
  257   2HE2  GLN  31          1HE2      GLN  31  17.958   3.748   3.748
  258    H    SER  32           H        SER  32  15.772   0.171   0.171
  259    HA   SER  32           HA       SER  32  17.208  -2.278  -2.278
  260   1HB   SER  32          1HB       SER  32  15.875  -1.435  -1.435
  261   2HB   SER  32          2HB       SER  32  14.508  -2.229  -2.229
  262    HG   SER  32           HG       SER  32  15.876  -3.530  -3.530
  263    H    GLU  33           H        GLU  33  16.787  -1.750  -1.750
  264    HA   GLU  33           HA       GLU  33  14.121  -3.060  -3.060
  265   1HB   GLU  33          1HB       GLU  33  15.266  -0.397  -0.397
  266   2HB   GLU  33          2HB       GLU  33  15.051  -1.277  -1.277
  267   1HG   GLU  33          1HG       GLU  33  12.539  -1.701  -1.701
  268   2HG   GLU  33          2HG       GLU  33  12.944  -0.168  -0.168
  269    H    LEU  34           H        LEU  34  16.863  -4.159  -4.159
  270    HA   LEU  34           HA       LEU  34  16.943  -5.322  -5.322
  271   1HB   LEU  34          1HB       LEU  34  19.298  -6.079  -6.079
  272   2HB   LEU  34          2HB       LEU  34  19.114  -4.337  -4.337
  273    HG   LEU  34           HG       LEU  34  18.947  -5.746  -5.746
  274   1HD1  LEU  34          2HD1      LEU  34  20.992  -6.683  -6.683
  275   2HD1  LEU  34          3HD1      LEU  34  21.584  -5.038  -5.038
  276   3HD1  LEU  34          1HD1      LEU  34  21.439  -5.609  -5.609
  277   1HD2  LEU  34          2HD2      LEU  34  19.988  -2.957  -2.957
  278   2HD2  LEU  34          3HD2      LEU  34  18.477  -3.308  -3.308
  279   3HD2  LEU  34          1HD2      LEU  34  20.030  -3.589  -3.589
  280    H    SER  35           H        SER  35  16.914  -6.032  -6.032
  281    HA   SER  35           HA       SER  35  16.723  -8.135  -8.135
  282   1HB   SER  35          1HB       SER  35  14.831  -8.431  -8.431
  283   2HB   SER  35          2HB       SER  35  15.161  -9.873  -9.873
  284    HG   SER  35           HG       SER  35  13.438  -8.017  -8.017
  285    H    ALA  36           H        ALA  36  18.928  -7.592  -7.592
  286    HA   ALA  36           HA       ALA  36  19.450  -9.956  -9.956
  287   1HB   ALA  36          2HB       ALA  36  20.359  -7.659  -7.659
  288   2HB   ALA  36          3HB       ALA  36  21.305  -7.665  -7.665
  289   3HB   ALA  36          1HB       ALA  36  21.698  -8.806  -8.806
  290    H    LYS  37           H        LYS  37  21.139  -8.662  -8.662
  291    HA   LYS  37           HA       LYS  37  21.438 -11.349 -11.349
  292   1HB   LYS  37          1HB       LYS  37  23.070 -11.266 -11.266
  293   2HB   LYS  37          2HB       LYS  37  24.050 -10.188 -10.188
  294   1HG   LYS  37          1HG       LYS  37  25.012 -12.323 -12.323
  295   2HG   LYS  37          2HG       LYS  37  23.932 -12.093 -12.093
  296   1HD   LYS  37          1HD       LYS  37  23.122 -14.168 -14.168
  297   2HD   LYS  37          2HD       LYS  37  22.307 -13.416 -13.416
  298   1HE   LYS  37          1HE       LYS  37  25.186 -13.812 -13.812
  299   2HE   LYS  37          2HE       LYS  37  24.467 -15.350 -15.350
  300   1HZ   LYS  37          3HZ       LYS  37  22.934 -13.652 -13.652
  301   2HZ   LYS  37          1HZ       LYS  37  24.251 -14.513 -14.513
  302   3HZ   LYS  37          2HZ       LYS  37  22.977 -15.328 -15.328
  303    H    MET  38           H        MET  38  20.613  -8.685  -8.685
  304    HA   MET  38           HA       MET  38  22.729  -7.802  -7.802
  305   1HB   MET  38          1HB       MET  38  21.605  -5.879  -5.879
  306   2HB   MET  38          2HB       MET  38  20.102  -6.737  -6.737
  307   1HG   MET  38          1HG       MET  38  19.192  -6.049  -6.049
  308   2HG   MET  38          2HG       MET  38  20.601  -6.620  -6.620
  309   1HE   MET  38          3HE       MET  38  18.568  -3.942  -3.942
  310   2HE   MET  38          2HE       MET  38  19.525  -2.430  -2.430
  311   3HE   MET  38          1HE       MET  38  19.722  -3.620  -3.620

  Start of MODEL   17
    1   1H    THR   1          2H        THR   1 -17.831   0.744   0.744
    2   2H    THR   1          3H        THR   1 -17.873   1.219   1.219
    3   3H    THR   1          1H        THR   1 -16.504   1.521   1.521
    4    HA   THR   1           HA       THR   1 -15.939  -0.719  -0.719
    5    HB   THR   1           HB       THR   1 -15.922   0.725   0.725
    6    HG1  THR   1           HG1      THR   1 -14.432  -0.840  -0.840
    7   1HG2  THR   1          3HG2      THR   1 -17.024  -2.089  -2.089
    8   2HG2  THR   1          1HG2      THR   1 -16.322  -0.930  -0.930
    9   3HG2  THR   1          2HG2      THR   1 -17.843  -0.548  -0.548
   10    HA   PRO   2           HA       PRO   2 -18.815  -4.096  -4.096
   11   1HB   PRO   2          1HB       PRO   2 -17.001  -5.370  -5.370
   12   2HB   PRO   2          2HB       PRO   2 -17.636  -6.032  -6.032
   13   1HG   PRO   2          1HG       PRO   2 -15.032  -5.015  -5.015
   14   2HG   PRO   2          2HG       PRO   2 -16.134  -4.769  -4.769
   15   1HD   PRO   2          1HD       PRO   2 -15.501  -3.138  -3.138
   16   2HD   PRO   2          2HD       PRO   2 -15.377  -2.586  -2.586
   17    H    ASP   3           H        ASP   3 -19.300  -6.047  -6.047
   18    HA   ASP   3           HA       ASP   3 -21.154  -4.741  -4.741
   19   1HB   ASP   3          1HB       ASP   3 -20.852  -7.359  -7.359
   20   2HB   ASP   3          2HB       ASP   3 -19.955  -7.477  -7.477
   21    H    VAL   4           H        VAL   4 -17.785  -5.045  -5.045
   22    HA   VAL   4           HA       VAL   4 -17.777  -4.580  -4.580
   23    HB   VAL   4           HB       VAL   4 -15.365  -4.433  -4.433
   24   1HG1  VAL   4          1HG2      VAL   4 -15.495  -5.493  -5.493
   25   2HG1  VAL   4          2HG2      VAL   4 -14.042  -5.473  -5.473
   26   3HG1  VAL   4          3HG2      VAL   4 -14.767  -3.957  -3.957
   27   1HG2  VAL   4          2HG1      VAL   4 -16.539  -6.597  -6.597
   28   2HG2  VAL   4          3HG1      VAL   4 -14.968  -6.888  -6.888
   29   3HG2  VAL   4          1HG1      VAL   4 -16.461  -7.118  -7.118
   30    H    SER   5           H        SER   5 -19.168  -2.647  -2.647
   31    HA   SER   5           HA       SER   5 -17.290  -0.271  -0.271
   32   1HB   SER   5          1HB       SER   5 -19.916   0.763   0.763
   33   2HB   SER   5          2HB       SER   5 -18.785   0.546   0.546
   34    HG   SER   5           HG       SER   5 -20.719  -1.344  -1.344
   35    H    SER   6           H        SER   6 -19.946  -1.691  -1.691
   36    HA   SER   6           HA       SER   6 -19.253   0.289   0.289
   37   1HB   SER   6          1HB       SER   6 -21.927  -0.644  -0.644
   38   2HB   SER   6          2HB       SER   6 -21.834  -0.504  -0.504
   39    HG   SER   6           HG       SER   6 -21.231   1.670   1.670
   40    H    ALA   7           H        ALA   7 -17.888  -2.072  -2.072
   41    HA   ALA   7           HA       ALA   7 -18.738  -3.574  -3.574
   42   1HB   ALA   7          2HB       ALA   7 -18.489  -4.987  -4.987
   43   2HB   ALA   7          3HB       ALA   7 -16.818  -4.413  -4.413
   44   3HB   ALA   7          1HB       ALA   7 -17.241  -5.432  -5.432
   45    H    LEU   8           H        LEU   8 -16.324  -1.593  -1.593
   46    HA   LEU   8           HA       LEU   8 -14.313  -1.957  -1.957
   47   1HB   LEU   8          1HB       LEU   8 -13.762  -0.873  -0.873
   48   2HB   LEU   8          2HB       LEU   8 -14.895   0.425   0.425
   49    HG   LEU   8           HG       LEU   8 -12.330   0.850   0.850
   50   1HD1  LEU   8          2HD1      LEU   8 -14.128   2.489   2.489
   51   2HD1  LEU   8          3HD1      LEU   8 -14.300   1.724   1.724
   52   3HD1  LEU   8          1HD1      LEU   8 -12.786   2.548   2.548
   53   1HD2  LEU   8          2HD2      LEU   8 -12.903  -0.521  -0.521
   54   2HD2  LEU   8          3HD2      LEU   8 -11.730  -1.044  -1.044
   55   3HD2  LEU   8          1HD2      LEU   8 -11.463   0.469   0.469
   56    H    ASP   9           H        ASP   9 -17.204  -0.064  -0.064
   57    HA   ASP   9           HA       ASP   9 -16.821   1.678   1.678
   58   1HB   ASP   9          1HB       ASP   9 -18.830   1.747   1.747
   59   2HB   ASP   9          2HB       ASP   9 -19.461   0.303   0.303
   60    H    LYS  10           H        LYS  10 -17.642  -1.695  -1.695
   61    HA   LYS  10           HA       LYS  10 -18.370  -1.859  -1.859
   62   1HB   LYS  10          1HB       LYS  10 -17.331  -4.063  -4.063
   63   2HB   LYS  10          2HB       LYS  10 -18.051  -4.371  -4.371
   64   1HG   LYS  10          1HG       LYS  10 -19.512  -2.957  -2.957
   65   2HG   LYS  10          2HG       LYS  10 -19.660  -4.671  -4.671
   66   1HD   LYS  10          1HD       LYS  10 -20.406  -3.660  -3.660
   67   2HD   LYS  10          2HD       LYS  10 -20.729  -2.208  -2.208
   68   1HE   LYS  10          1HE       LYS  10 -22.752  -3.187  -3.187
   69   2HE   LYS  10          2HE       LYS  10 -21.823  -4.234  -4.234
   70   1HZ   LYS  10          3HZ       LYS  10 -22.075  -4.913  -4.913
   71   2HZ   LYS  10          1HZ       LYS  10 -23.282  -5.316  -5.316
   72   3HZ   LYS  10          2HZ       LYS  10 -21.725  -5.919  -5.919
   73    H    LEU  11           H        LEU  11 -15.406  -2.184  -2.184
   74    HA   LEU  11           HA       LEU  11 -13.936  -2.303  -2.303
   75   1HB   LEU  11          1HB       LEU  11 -13.122  -3.132  -3.132
   76   2HB   LEU  11          2HB       LEU  11 -11.888  -2.759  -2.759
   77    HG   LEU  11           HG       LEU  11 -12.141  -4.740  -4.740
   78   1HD1  LEU  11          2HD1      LEU  11 -14.438  -4.187  -4.187
   79   2HD1  LEU  11          3HD1      LEU  11 -15.167  -4.763  -4.763
   80   3HD1  LEU  11          1HD1      LEU  11 -14.322  -5.900  -5.900
   81   1HD2  LEU  11          2HD2      LEU  11 -13.529  -5.487  -5.487
   82   2HD2  LEU  11          3HD2      LEU  11 -11.782  -5.526  -5.526
   83   3HD2  LEU  11          1HD2      LEU  11 -12.857  -6.660  -6.660
   84    H    LYS  12           H        LYS  12 -15.247  -0.033  -0.033
   85    HA   LYS  12           HA       LYS  12 -13.608   1.894   1.894
   86   1HB   LYS  12          1HB       LYS  12 -16.019   2.087   2.087
   87   2HB   LYS  12          2HB       LYS  12 -15.158   2.630   2.630
   88   1HG   LYS  12          1HG       LYS  12 -15.809   4.138   4.138
   89   2HG   LYS  12          2HG       LYS  12 -15.239   4.747   4.747
   90   1HD   LYS  12          1HD       LYS  12 -13.501   5.442   5.442
   91   2HD   LYS  12          2HD       LYS  12 -12.855   3.848   3.848
   92   1HE   LYS  12          1HE       LYS  12 -14.256   2.928   2.928
   93   2HE   LYS  12          2HE       LYS  12 -14.339   4.618   4.618
   94   1HZ   LYS  12          3HZ       LYS  12 -11.808   4.597   4.597
   95   2HZ   LYS  12          1HZ       LYS  12 -11.954   2.926   2.926
   96   3HZ   LYS  12          2HZ       LYS  12 -12.397   3.900   3.900
   97    H    GLU  13           H        GLU  13 -13.792   2.196   2.196
   98    HA   GLU  13           HA       GLU  13 -11.325   3.321   3.321
   99   1HB   GLU  13          1HB       GLU  13 -13.249   2.187   2.187
  100   2HB   GLU  13          2HB       GLU  13 -12.182   0.805   0.805
  101   1HG   GLU  13          1HG       GLU  13 -10.359   2.248   2.248
  102   2HG   GLU  13          2HG       GLU  13 -11.411   3.639   3.639
  103    H    PHE  14           H        PHE  14 -11.507  -0.210  -0.210
  104    HA   PHE  14           HA       PHE  14  -8.834  -0.828  -0.828
  105   1HB   PHE  14          1HB       PHE  14 -10.042  -2.818  -2.818
  106   2HB   PHE  14          2HB       PHE  14 -11.163  -2.287  -2.287
  107    HD1  PHE  14           HD1      PHE  14 -10.157  -2.088  -2.088
  108    HD2  PHE  14           HD2      PHE  14  -8.516  -4.535  -4.535
  109    HE1  PHE  14           HE1      PHE  14  -9.197  -3.599  -3.599
  110    HE2  PHE  14           HE2      PHE  14  -7.556  -6.045  -6.045
  111    HZ   PHE  14           HZ       PHE  14  -7.913  -5.593  -5.593
  112    H    GLY  15           H        GLY  15 -10.176   0.409   0.409
  113   1HA   GLY  15          1HA       GLY  15  -7.742  -0.388  -0.388
  114   2HA   GLY  15          2HA       GLY  15  -9.057   0.672   0.672
  115    H    ASN  16           H        ASN  16  -9.194   2.619   2.619
  116    HA   ASN  16           HA       ASN  16  -7.157   4.502   4.502
  117   1HB   ASN  16          1HB       ASN  16  -9.404   4.547   4.547
  118   2HB   ASN  16          2HB       ASN  16  -8.349   4.167   4.167
  119   1HD2  ASN  16          1HD2      ASN  16  -8.678   7.820   7.820
  120   2HD2  ASN  16          2HD2      ASN  16  -9.771   6.356   6.356
  121    H    THR  17           H        THR  17  -7.104   1.976   1.976
  122    HA   THR  17           HA       THR  17  -4.824   3.061   3.061
  123    HB   THR  17           HB       THR  17  -5.346   0.040   0.040
  124    HG1  THR  17           HG1      THR  17  -6.954   0.307   0.307
  125   1HG2  THR  17          3HG2      THR  17  -4.643   1.737   1.737
  126   2HG2  THR  17          1HG2      THR  17  -4.925  -0.022  -0.022
  127   3HG2  THR  17          2HG2      THR  17  -3.522   0.644   0.644
  128    H    LEU  18           H        LEU  18  -4.975   0.712   0.712
  129    HA   LEU  18           HA       LEU  18  -2.031   0.262   0.262
  130   1HB   LEU  18          1HB       LEU  18  -2.379  -1.471  -1.471
  131   2HB   LEU  18          2HB       LEU  18  -4.023  -1.308  -1.308
  132    HG   LEU  18           HG       LEU  18  -3.631   0.441   0.441
  133   1HD1  LEU  18          3HD2      LEU  18  -1.858  -1.343  -1.343
  134   2HD1  LEU  18          1HD2      LEU  18  -3.133  -2.566  -2.566
  135   3HD1  LEU  18          2HD2      LEU  18  -3.188  -1.249  -1.249
  136   1HD2  LEU  18          2HD1      LEU  18  -5.837  -0.406  -0.406
  137   2HD2  LEU  18          3HD1      LEU  18  -5.658  -0.777  -0.777
  138   3HD2  LEU  18          1HD1      LEU  18  -5.410  -2.049  -2.049
  139    H    GLU  19           H        GLU  19  -4.098   2.428   2.428
  140    HA   GLU  19           HA       GLU  19  -1.873   3.219   3.219
  141   1HB   GLU  19          1HB       GLU  19  -4.430   3.230   3.230
  142   2HB   GLU  19          2HB       GLU  19  -4.583   4.597   4.597
  143   1HG   GLU  19          1HG       GLU  19  -4.557   5.335   5.335
  144   2HG   GLU  19          2HG       GLU  19  -3.214   6.043   6.043
  145    H    ASP  20           H        ASP  20  -2.111   3.672   3.672
  146    HA   ASP  20           HA       ASP  20  -0.760   6.389   6.389
  147   1HB   ASP  20          1HB       ASP  20  -2.873   6.102   6.102
  148   2HB   ASP  20          2HB       ASP  20  -1.783   5.221   5.221
  149    H    LYS  21           H        LYS  21  -0.591   3.279   3.279
  150    HA   LYS  21           HA       LYS  21   2.199   3.795   3.795
  151   1HB   LYS  21          1HB       LYS  21   0.958   0.994   0.994
  152   2HB   LYS  21          2HB       LYS  21   2.108   1.552   1.552
  153   1HG   LYS  21          1HG       LYS  21   0.426   2.398   2.398
  154   2HG   LYS  21          2HG       LYS  21  -0.495   3.072   3.072
  155   1HD   LYS  21          1HD       LYS  21  -1.496   1.125   1.125
  156   2HD   LYS  21          2HD       LYS  21  -1.716   1.044   1.044
  157   1HE   LYS  21          1HE       LYS  21  -0.841  -1.127  -1.127
  158   2HE   LYS  21          2HE       LYS  21   0.679  -0.262  -0.262
  159   1HZ   LYS  21          1HZ       LYS  21  -0.397  -0.321  -0.321
  160   2HZ   LYS  21          2HZ       LYS  21   0.342  -1.702  -1.702
  161   3HZ   LYS  21          3HZ       LYS  21   1.198  -0.257  -0.257
  162    H    ALA  22           H        ALA  22   0.691   2.468   2.468
  163    HA   ALA  22           HA       ALA  22   3.148   1.309   1.309
  164   1HB   ALA  22          2HB       ALA  22   0.823   0.823   0.823
  165   2HB   ALA  22          3HB       ALA  22   0.638   2.515   2.515
  166   3HB   ALA  22          1HB       ALA  22   1.836   1.461   1.461
  167    H    ARG  23           H        ARG  23   1.924   4.556   4.556
  168    HA   ARG  23           HA       ARG  23   3.567   5.596   5.596
  169   1HB   ARG  23          1HB       ARG  23   1.623   6.631   6.631
  170   2HB   ARG  23          2HB       ARG  23   2.980   7.735   7.735
  171   1HG   ARG  23          1HG       ARG  23   2.174   8.568   8.568
  172   2HG   ARG  23          2HG       ARG  23   2.169   6.959   6.959
  173   1HD   ARG  23          1HD       ARG  23  -0.117   6.744   6.744
  174   2HD   ARG  23          2HD       ARG  23  -0.062   7.318   7.318
  175    HE   ARG  23           HE       ARG  23   0.373   9.344   9.344
  176   1HH1  ARG  23          2HH2      ARG  23  -1.750   8.137   8.137
  177   2HH1  ARG  23          1HH2      ARG  23  -2.823   9.636   9.636
  178   1HH2  ARG  23          1HH1      ARG  23  -0.832  10.933  10.933
  179   2HH2  ARG  23          2HH1      ARG  23  -2.329  11.160  11.160
  180    H    GLU  24           H        GLU  24   3.937   5.575   5.575
  181    HA   GLU  24           HA       GLU  24   6.547   7.061   7.061
  182   1HB   GLU  24          1HB       GLU  24   5.412   5.569   5.569
  183   2HB   GLU  24          2HB       GLU  24   6.584   6.864   6.864
  184   1HG   GLU  24          1HG       GLU  24   4.925   8.570   8.570
  185   2HG   GLU  24          2HG       GLU  24   3.796   7.489   7.489
  186    H    LEU  25           H        LEU  25   5.409   3.791   3.791
  187    HA   LEU  25           HA       LEU  25   8.050   2.564   2.564
  188   1HB   LEU  25          1HB       LEU  25   6.008   1.270   1.270
  189   2HB   LEU  25          2HB       LEU  25   5.396   1.515   1.515
  190    HG   LEU  25           HG       LEU  25   7.902   0.127   0.127
  191   1HD1  LEU  25          2HD1      LEU  25   7.775  -0.453  -0.453
  192   2HD1  LEU  25          3HD1      LEU  25   6.150  -1.146  -1.146
  193   3HD1  LEU  25          1HD1      LEU  25   7.563  -1.897  -1.897
  194   1HD2  LEU  25          2HD2      LEU  25   4.982  -0.898  -0.898
  195   2HD2  LEU  25          3HD2      LEU  25   5.961  -0.205  -0.205
  196   3HD2  LEU  25          1HD2      LEU  25   6.415  -1.765  -1.765
  197    H    ILE  26           H        ILE  26   6.394   3.763   3.763
  198    HA   ILE  26           HA       ILE  26   8.158   2.431   2.431
  199    HB   ILE  26           HB       ILE  26   6.141   4.668   4.668
  200   1HG1  ILE  26          1HG1      ILE  26   6.562   2.692   2.692
  201   2HG1  ILE  26          2HG1      ILE  26   5.889   2.112   2.112
  202   1HG2  ILE  26          2HG2      ILE  26   8.044   5.890   5.890
  203   2HG2  ILE  26          3HG2      ILE  26   8.252   4.525   4.525
  204   3HG2  ILE  26          1HG2      ILE  26   6.780   5.519   5.519
  205   1HD1  ILE  26          2HD1      ILE  26   3.994   3.773   3.773
  206   2HD1  ILE  26          3HD1      ILE  26   4.580   4.321   4.321
  207   3HD1  ILE  26          1HD1      ILE  26   4.031   2.650   2.650
  208    H    SER  27           H        SER  27   8.390   5.398   5.398
  209    HA   SER  27           HA       SER  27  10.922   6.239   6.239
  210   1HB   SER  27          1HB       SER  27  10.239   8.033   8.033
  211   2HB   SER  27          2HB       SER  27   9.318   7.055   7.055
  212    HG   SER  27           HG       SER  27  12.175   7.204   7.204
  213    H    ARG  28           H        ARG  28  10.098   4.042   4.042
  214    HA   ARG  28           HA       ARG  28  12.912   3.410   3.410
  215   1HB   ARG  28          1HB       ARG  28  10.711   2.925   2.925
  216   2HB   ARG  28          2HB       ARG  28  10.443   1.562   1.562
  217   1HG   ARG  28          1HG       ARG  28  12.537   0.439   0.439
  218   2HG   ARG  28          2HG       ARG  28  13.041   1.894   1.894
  219   1HD   ARG  28          1HD       ARG  28  10.331   1.116   1.116
  220   2HD   ARG  28          2HD       ARG  28  11.430  -0.284  -0.284
  221    HE   ARG  28           HE       ARG  28  13.030   1.714   1.714
  222   1HH1  ARG  28          2HH2      ARG  28   9.759   0.835   0.835
  223   2HH1  ARG  28          1HH2      ARG  28   9.918   1.436   1.436
  224   1HH2  ARG  28          1HH1      ARG  28  13.126   2.343   2.343
  225   2HH2  ARG  28          2HH1      ARG  28  11.745   2.257   2.257
  226    H    ILE  29           H        ILE  29  10.822   2.516   2.516
  227    HA   ILE  29           HA       ILE  29  12.257  -0.089  -0.089
  228    HB   ILE  29           HB       ILE  29   9.870   1.320   1.320
  229   1HG1  ILE  29          1HG1      ILE  29   8.797  -0.252  -0.252
  230   2HG1  ILE  29          2HG1      ILE  29   9.257  -1.398  -1.398
  231   1HG2  ILE  29          2HG2      ILE  29  11.192   0.731   0.731
  232   2HG2  ILE  29          3HG2      ILE  29  11.344  -0.953  -0.953
  233   3HG2  ILE  29          1HG2      ILE  29   9.766  -0.268  -0.268
  234   1HD1  ILE  29          2HD1      ILE  29  11.329  -2.069  -2.069
  235   2HD1  ILE  29          3HD1      ILE  29  10.844  -0.998  -0.998
  236   3HD1  ILE  29          1HD1      ILE  29   9.823  -2.376  -2.376
  237    H    LYS  30           H        LYS  30  12.228   3.151   3.151
  238    HA   LYS  30           HA       LYS  30  13.974   2.778   2.778
  239   1HB   LYS  30          1HB       LYS  30  13.572   5.026   5.026
  240   2HB   LYS  30          2HB       LYS  30  14.958   5.149   5.149
  241   1HG   LYS  30          1HG       LYS  30  12.487   6.145   6.145
  242   2HG   LYS  30          2HG       LYS  30  13.639   5.599   5.599
  243   1HD   LYS  30          1HD       LYS  30  12.279   3.809   3.809
  244   2HD   LYS  30          2HD       LYS  30  11.836   3.445   3.445
  245   1HE   LYS  30          1HE       LYS  30   9.769   4.346   4.346
  246   2HE   LYS  30          2HE       LYS  30  10.535   5.848   5.848
  247   1HZ   LYS  30          3HZ       LYS  30  11.492   5.703   5.703
  248   2HZ   LYS  30          1HZ       LYS  30  10.023   4.917   4.917
  249   3HZ   LYS  30          2HZ       LYS  30  10.054   6.478   6.478
  250    H    GLN  31           H        GLN  31  14.686   2.806   2.806
  251    HA   GLN  31           HA       GLN  31  17.642   2.560   2.560
  252   1HB   GLN  31          1HB       GLN  31  16.154   3.806   3.806
  253   2HB   GLN  31          2HB       GLN  31  16.622   2.311   2.311
  254   1HG   GLN  31          1HG       GLN  31  19.122   2.993   2.993
  255   2HG   GLN  31          2HG       GLN  31  18.432   4.591   4.591
  256   1HE2  GLN  31          2HE2      GLN  31  20.090   4.000   4.000
  257   2HE2  GLN  31          1HE2      GLN  31  20.601   3.668   3.668
  258    H    SER  32           H        SER  32  16.222   0.471   0.471
  259    HA   SER  32           HA       SER  32  17.918  -1.650  -1.650
  260   1HB   SER  32          1HB       SER  32  16.036  -3.186  -3.186
  261   2HB   SER  32          2HB       SER  32  16.804  -2.001  -2.001
  262    HG   SER  32           HG       SER  32  14.534  -1.964  -1.964
  263    H    GLU  33           H        GLU  33  17.647  -0.950  -0.950
  264    HA   GLU  33           HA       GLU  33  15.469  -2.715  -2.715
  265   1HB   GLU  33          1HB       GLU  33  16.386   0.071   0.071
  266   2HB   GLU  33          2HB       GLU  33  16.544  -0.823  -0.823
  267   1HG   GLU  33          1HG       GLU  33  13.942  -1.549  -1.549
  268   2HG   GLU  33          2HG       GLU  33  14.002  -0.036  -0.036
  269    H    LEU  34           H        LEU  34  18.266  -3.409  -3.409
  270    HA   LEU  34           HA       LEU  34  18.892  -4.683  -4.683
  271   1HB   LEU  34          1HB       LEU  34  21.296  -4.916  -4.916
  272   2HB   LEU  34          2HB       LEU  34  20.791  -3.276  -3.276
  273    HG   LEU  34           HG       LEU  34  20.633  -4.340  -4.340
  274   1HD1  LEU  34          2HD1      LEU  34  22.953  -4.841  -4.841
  275   2HD1  LEU  34          3HD1      LEU  34  23.156  -3.149  -3.149
  276   3HD1  LEU  34          1HD1      LEU  34  22.976  -3.542  -3.542
  277   1HD2  LEU  34          2HD2      LEU  34  21.042  -1.495  -1.495
  278   2HD2  LEU  34          3HD2      LEU  34  19.580  -2.122  -2.122
  279   3HD2  LEU  34          1HD2      LEU  34  21.060  -1.900  -1.900
  280    H    SER  35           H        SER  35  18.637  -5.114  -5.114
  281    HA   SER  35           HA       SER  35  18.708  -7.105  -7.105
  282   1HB   SER  35          1HB       SER  35  17.890  -8.846  -8.846
  283   2HB   SER  35          2HB       SER  35  17.324  -8.915  -8.915
  284    HG   SER  35           HG       SER  35  16.204  -7.716  -7.716
  285    H    ALA  36           H        ALA  36  20.983  -6.186  -6.186
  286    HA   ALA  36           HA       ALA  36  22.301  -8.455  -8.455
  287   1HB   ALA  36          2HB       ALA  36  22.868  -6.038  -6.038
  288   2HB   ALA  36          3HB       ALA  36  23.473  -5.841  -5.841
  289   3HB   ALA  36          1HB       ALA  36  24.323  -6.910  -6.910
  290    H    LYS  37           H        LYS  37  23.087  -6.827  -6.827
  291    HA   LYS  37           HA       LYS  37  23.587  -9.503  -9.503
  292   1HB   LYS  37          1HB       LYS  37  25.763  -8.875  -8.875
  293   2HB   LYS  37          2HB       LYS  37  25.912  -7.483  -7.483
  294   1HG   LYS  37          1HG       LYS  37  26.833  -8.783  -8.783
  295   2HG   LYS  37          2HG       LYS  37  25.475  -9.905  -9.905
  296   1HD   LYS  37          1HD       LYS  37  26.603 -11.273 -11.273
  297   2HD   LYS  37          2HD       LYS  37  27.780  -9.994  -9.994
  298   1HE   LYS  37          1HE       LYS  37  27.529 -11.518 -11.518
  299   2HE   LYS  37          2HE       LYS  37  28.845 -11.697 -11.697
  300   1HZ   LYS  37          1HZ       LYS  37  29.154  -9.195  -9.195
  301   2HZ   LYS  37          2HZ       LYS  37  28.192  -9.328  -9.328
  302   3HZ   LYS  37          3HZ       LYS  37  29.636 -10.184 -10.184
  303    H    MET  38           H        MET  38  21.781  -7.343  -7.343
  304    HA   MET  38           HA       MET  38  22.830  -5.893  -5.893
  305   1HB   MET  38          1HB       MET  38  21.944  -4.272  -4.272
  306   2HB   MET  38          2HB       MET  38  20.721  -5.360  -5.360
  307   1HG   MET  38          1HG       MET  38  19.121  -4.452  -4.452
  308   2HG   MET  38          2HG       MET  38  20.070  -4.862  -4.862
  309   1HE   MET  38          3HE       MET  38  19.961  -3.437  -3.437
  310   2HE   MET  38          2HE       MET  38  21.570  -2.655  -2.655
  311   3HE   MET  38          1HE       MET  38  20.087  -1.651  -1.651

  Start of MODEL   18
    1   1H    THR   1          3H        THR   1 -19.675 -12.855 -12.855
    2   2H    THR   1          1H        THR   1 -18.946 -12.369 -12.369
    3   3H    THR   1          2H        THR   1 -18.011 -13.012 -13.012
    4    HA   THR   1           HA       THR   1 -18.179 -11.187 -11.187
    5    HB   THR   1           HB       THR   1 -18.316  -9.617  -9.617
    6    HG1  THR   1           HG1      THR   1 -16.389 -10.530 -10.530
    7   1HG2  THR   1          3HG2      THR   1 -16.013  -9.915  -9.915
    8   2HG2  THR   1          1HG2      THR   1 -16.023  -8.797  -8.797
    9   3HG2  THR   1          2HG2      THR   1 -17.164  -8.559  -8.559
   10    HA   PRO   2           HA       PRO   2 -21.976  -9.036  -9.036
   11   1HB   PRO   2          1HB       PRO   2 -20.188  -6.593  -6.593
   12   2HB   PRO   2          2HB       PRO   2 -21.455  -7.191  -7.191
   13   1HG   PRO   2          1HG       PRO   2 -18.689  -7.570  -7.570
   14   2HG   PRO   2          2HG       PRO   2 -20.036  -8.815  -8.815
   15   1HD   PRO   2          1HD       PRO   2 -18.167  -8.356  -8.356
   16   2HD   PRO   2          2HD       PRO   2 -18.410  -9.901  -9.901
   17    H    ASP   3           H        ASP   3 -22.604  -6.433  -6.433
   18    HA   ASP   3           HA       ASP   3 -23.621  -6.242  -6.242
   19   1HB   ASP   3          1HB       ASP   3 -23.837  -4.557  -4.557
   20   2HB   ASP   3          2HB       ASP   3 -22.447  -3.752  -3.752
   21    H    VAL   4           H        VAL   4 -20.358  -5.692  -5.692
   22    HA   VAL   4           HA       VAL   4 -18.437  -5.009  -5.009
   23    HB   VAL   4           HB       VAL   4 -19.281  -7.391  -7.391
   24   1HG1  VAL   4          1HG2      VAL   4 -19.643  -5.773  -5.773
   25   2HG1  VAL   4          2HG2      VAL   4 -19.567  -7.548  -7.548
   26   3HG1  VAL   4          3HG2      VAL   4 -20.910  -6.686  -6.686
   27   1HG2  VAL   4          2HG1      VAL   4 -16.862  -6.647  -6.647
   28   2HG2  VAL   4          3HG1      VAL   4 -17.344  -7.613  -7.613
   29   3HG2  VAL   4          1HG1      VAL   4 -17.196  -5.843  -5.843
   30    H    SER   5           H        SER   5 -20.646  -3.217  -3.217
   31    HA   SER   5           HA       SER   5 -19.593  -1.607  -1.607
   32   1HB   SER   5          1HB       SER   5 -21.599  -2.186  -2.186
   33   2HB   SER   5          2HB       SER   5 -22.525  -2.358  -2.358
   34    HG   SER   5           HG       SER   5 -22.887  -0.230  -0.230
   35    H    SER   6           H        SER   6 -21.599  -1.670  -1.670
   36    HA   SER   6           HA       SER   6 -20.267   0.993   0.993
   37   1HB   SER   6          1HB       SER   6 -22.911   0.753   0.753
   38   2HB   SER   6          2HB       SER   6 -22.773  -0.110  -0.110
   39    HG   SER   6           HG       SER   6 -22.954   2.412   2.412
   40    H    ALA   7           H        ALA   7 -18.993  -1.506  -1.506
   41    HA   ALA   7           HA       ALA   7 -18.997  -2.175  -2.175
   42   1HB   ALA   7          2HB       ALA   7 -18.908  -4.039  -4.039
   43   2HB   ALA   7          3HB       ALA   7 -17.408  -3.370  -3.370
   44   3HB   ALA   7          1HB       ALA   7 -17.419  -4.038  -4.038
   45    H    LEU   8           H        LEU   8 -17.199  -0.382  -0.382
   46    HA   LEU   8           HA       LEU   8 -14.854   0.050   0.050
   47   1HB   LEU   8          1HB       LEU   8 -15.221   0.576   0.576
   48   2HB   LEU   8          2HB       LEU   8 -15.856   2.107   2.107
   49    HG   LEU   8           HG       LEU   8 -13.263   1.715   1.715
   50   1HD1  LEU   8          2HD1      LEU   8 -14.372   3.917   3.917
   51   2HD1  LEU   8          3HD1      LEU   8 -14.203   3.643   3.643
   52   3HD1  LEU   8          1HD1      LEU   8 -12.758   3.846   3.846
   53   1HD2  LEU   8          2HD2      LEU   8 -13.247   1.270   1.270
   54   2HD2  LEU   8          3HD2      LEU   8 -12.660   0.141   0.141
   55   3HD2  LEU   8          1HD2      LEU   8 -11.811   1.668   1.668
   56    H    ASP   9           H        ASP   9 -17.991   1.516   1.516
   57    HA   ASP   9           HA       ASP   9 -17.569   3.729   3.729
   58   1HB   ASP   9          1HB       ASP   9 -19.749   3.260   3.260
   59   2HB   ASP   9          2HB       ASP   9 -20.088   1.936   1.936
   60    H    LYS  10           H        LYS  10 -17.970   0.337   0.337
   61    HA   LYS  10           HA       LYS  10 -18.129   0.698   0.698
   62   1HB   LYS  10          1HB       LYS  10 -17.613  -1.685  -1.685
   63   2HB   LYS  10          2HB       LYS  10 -17.340  -1.881  -1.881
   64   1HG   LYS  10          1HG       LYS  10 -19.721  -1.335  -1.335
   65   2HG   LYS  10          2HG       LYS  10 -20.013  -0.814  -0.814
   66   1HD   LYS  10          1HD       LYS  10 -20.017  -3.094  -3.094
   67   2HD   LYS  10          2HD       LYS  10 -19.118  -3.688  -3.688
   68   1HE   LYS  10          1HE       LYS  10 -21.028  -3.327  -3.327
   69   2HE   LYS  10          2HE       LYS  10 -21.924  -2.399  -2.399
   70   1HZ   LYS  10          1HZ       LYS  10 -21.624  -4.560  -4.560
   71   2HZ   LYS  10          2HZ       LYS  10 -21.415  -5.291  -5.291
   72   3HZ   LYS  10          3HZ       LYS  10 -22.835  -4.455  -4.455
   73    H    LEU  11           H        LEU  11 -15.580   0.227   0.227
   74    HA   LEU  11           HA       LEU  11 -13.571   0.206   0.206
   75   1HB   LEU  11          1HB       LEU  11 -13.538  -0.674  -0.674
   76   2HB   LEU  11          2HB       LEU  11 -12.020  -0.078  -0.078
   77    HG   LEU  11           HG       LEU  11 -11.550  -2.077  -2.077
   78   1HD1  LEU  11          2HD1      LEU  11 -12.764  -1.344  -1.344
   79   2HD1  LEU  11          3HD1      LEU  11 -14.287  -2.020  -2.020
   80   3HD1  LEU  11          1HD1      LEU  11 -12.921  -3.094  -3.094
   81   1HD2  LEU  11          2HD2      LEU  11 -14.315  -2.996  -2.996
   82   2HD2  LEU  11          3HD2      LEU  11 -12.754  -3.091  -3.091
   83   3HD2  LEU  11          1HD2      LEU  11 -13.027  -4.089  -4.089
   84    H    LYS  12           H        LYS  12 -15.078   2.517   2.517
   85    HA   LYS  12           HA       LYS  12 -12.895   4.397   4.397
   86   1HB   LYS  12          1HB       LYS  12 -15.361   4.840   4.840
   87   2HB   LYS  12          2HB       LYS  12 -15.687   4.975   4.975
   88   1HG   LYS  12          1HG       LYS  12 -15.356   7.254   7.254
   89   2HG   LYS  12          2HG       LYS  12 -13.657   6.842   6.842
   90   1HD   LYS  12          1HD       LYS  12 -14.588   6.439   6.439
   91   2HD   LYS  12          2HD       LYS  12 -14.905   8.087   8.087
   92   1HE   LYS  12          1HE       LYS  12 -12.418   8.028   8.028
   93   2HE   LYS  12          2HE       LYS  12 -12.173   6.632   6.632
   94   1HZ   LYS  12          3HZ       LYS  12 -13.256   8.164   8.164
   95   2HZ   LYS  12          1HZ       LYS  12 -12.806   9.410   9.410
   96   3HZ   LYS  12          2HZ       LYS  12 -11.640   8.370   8.370
   97    H    GLU  13           H        GLU  13 -11.639   3.184   3.184
   98    HA   GLU  13           HA       GLU  13 -11.139   4.816   4.816
   99   1HB   GLU  13          1HB       GLU  13 -13.664   3.864   3.864
  100   2HB   GLU  13          2HB       GLU  13 -12.836   2.434   2.434
  101   1HG   GLU  13          1HG       GLU  13 -13.592   4.128   4.128
  102   2HG   GLU  13          2HG       GLU  13 -11.950   3.552   3.552
  103    H    PHE  14           H        PHE  14 -11.734   1.401   1.401
  104    HA   PHE  14           HA       PHE  14  -9.159   0.503   0.503
  105   1HB   PHE  14          1HB       PHE  14 -10.722  -1.265  -1.265
  106   2HB   PHE  14          2HB       PHE  14 -11.517  -0.773  -0.773
  107    HD1  PHE  14           HD2      PHE  14  -8.108  -2.114  -2.114
  108    HD2  PHE  14           HD1      PHE  14 -11.320  -2.191  -2.191
  109    HE1  PHE  14           HE2      PHE  14  -6.979  -3.927  -3.927
  110    HE2  PHE  14           HE1      PHE  14 -10.182  -3.991  -3.991
  111    HZ   PHE  14           HZ       PHE  14  -8.001  -4.852  -4.852
  112    H    GLY  15           H        GLY  15 -10.104   1.737   1.737
  113   1HA   GLY  15          1HA       GLY  15  -7.651   0.481   0.481
  114   2HA   GLY  15          2HA       GLY  15  -8.860   1.497   1.497
  115    H    ASN  16           H        ASN  16  -8.983   3.631   3.631
  116    HA   ASN  16           HA       ASN  16  -6.732   5.294   5.294
  117   1HB   ASN  16          1HB       ASN  16  -8.848   6.226   6.226
  118   2HB   ASN  16          2HB       ASN  16  -8.659   5.371   5.371
  119   1HD2  ASN  16          1HD2      ASN  16  -7.562   8.620   8.620
  120   2HD2  ASN  16          2HD2      ASN  16  -8.974   7.430   7.430
  121    H    THR  17           H        THR  17  -7.025   2.894   2.894
  122    HA   THR  17           HA       THR  17  -4.893   3.937   3.937
  123    HB   THR  17           HB       THR  17  -5.952   1.057   1.057
  124    HG1  THR  17           HG1      THR  17  -7.054   1.554   1.554
  125   1HG2  THR  17          3HG2      THR  17  -4.276   2.131   2.131
  126   2HG2  THR  17          1HG2      THR  17  -5.077   0.543   0.543
  127   3HG2  THR  17          2HG2      THR  17  -3.736   0.892   0.892
  128    H    LEU  18           H        LEU  18  -4.916   1.842   1.842
  129    HA   LEU  18           HA       LEU  18  -2.110   1.006   1.006
  130   1HB   LEU  18          1HB       LEU  18  -3.438   1.399   1.399
  131   2HB   LEU  18          2HB       LEU  18  -2.321   0.146   0.146
  132    HG   LEU  18           HG       LEU  18  -5.326   0.317   0.317
  133   1HD1  LEU  18          3HD2      LEU  18  -4.206  -1.099  -1.099
  134   2HD1  LEU  18          1HD2      LEU  18  -3.510  -2.123  -2.123
  135   3HD1  LEU  18          2HD2      LEU  18  -5.283  -2.030  -2.030
  136   1HD2  LEU  18          2HD1      LEU  18  -4.389   0.068   0.068
  137   2HD2  LEU  18          3HD1      LEU  18  -5.305  -1.369  -1.369
  138   3HD2  LEU  18          1HD1      LEU  18  -3.525  -1.393  -1.393
  139    H    GLU  19           H        GLU  19  -3.596   3.906   3.906
  140    HA   GLU  19           HA       GLU  19  -0.863   4.818   4.818
  141   1HB   GLU  19          1HB       GLU  19  -3.293   5.005   5.005
  142   2HB   GLU  19          2HB       GLU  19  -3.475   6.421   6.421
  143   1HG   GLU  19          1HG       GLU  19  -0.872   6.594   6.594
  144   2HG   GLU  19          2HG       GLU  19  -2.095   6.187   6.187
  145    H    ASP  20           H        ASP  20  -1.551   4.519   4.519
  146    HA   ASP  20           HA       ASP  20  -0.530   7.313   7.313
  147   1HB   ASP  20          1HB       ASP  20  -3.039   6.124   6.124
  148   2HB   ASP  20          2HB       ASP  20  -1.927   6.296   6.296
  149    H    LYS  21           H        LYS  21  -1.031   4.115   4.115
  150    HA   LYS  21           HA       LYS  21   1.435   4.372   4.372
  151   1HB   LYS  21          1HB       LYS  21   0.979   2.016   2.016
  152   2HB   LYS  21          2HB       LYS  21  -0.518   2.938   2.938
  153   1HG   LYS  21          1HG       LYS  21  -1.029   0.793   0.793
  154   2HG   LYS  21          2HG       LYS  21  -1.091   2.016   2.016
  155   1HD   LYS  21          1HD       LYS  21   0.531   0.901   0.901
  156   2HD   LYS  21          2HD       LYS  21   1.630   0.878   0.878
  157   1HE   LYS  21          1HE       LYS  21  -0.658  -0.953  -0.953
  158   2HE   LYS  21          2HE       LYS  21   0.125  -1.377  -1.377
  159   1HZ   LYS  21          2HZ       LYS  21   2.184  -0.786  -0.786
  160   2HZ   LYS  21          3HZ       LYS  21   1.097  -1.726  -1.726
  161   3HZ   LYS  21          1HZ       LYS  21   1.726  -2.298  -2.298
  162    H    ALA  22           H        ALA  22   0.730   3.254   3.254
  163    HA   ALA  22           HA       ALA  22   3.308   1.795   1.795
  164   1HB   ALA  22          2HB       ALA  22   1.303   1.381   1.381
  165   2HB   ALA  22          3HB       ALA  22   1.377   3.053   3.053
  166   3HB   ALA  22          1HB       ALA  22   2.684   1.904   1.904
  167    H    ARG  23           H        ARG  23   2.310   5.109   5.109
  168    HA   ARG  23           HA       ARG  23   4.650   6.215   6.215
  169   1HB   ARG  23          1HB       ARG  23   2.533   7.149   7.149
  170   2HB   ARG  23          2HB       ARG  23   4.052   7.989   7.989
  171   1HG   ARG  23          1HG       ARG  23   2.596   9.250   9.250
  172   2HG   ARG  23          2HG       ARG  23   4.063   8.715   8.715
  173   1HD   ARG  23          1HD       ARG  23   1.792   6.735   6.735
  174   2HD   ARG  23          2HD       ARG  23   1.451   8.307   8.307
  175    HE   ARG  23           HE       ARG  23   4.119   7.030   7.030
  176   1HH1  ARG  23          2HH2      ARG  23   0.926   7.767   7.767
  177   2HH1  ARG  23          1HH2      ARG  23   1.391   7.427   7.427
  178   1HH2  ARG  23          1HH1      ARG  23   4.548   6.680   6.680
  179   2HH2  ARG  23          2HH1      ARG  23   3.358   6.835   6.835
  180    H    GLU  24           H        GLU  24   4.155   5.147   5.147
  181    HA   GLU  24           HA       GLU  24   6.819   6.216   6.216
  182   1HB   GLU  24          1HB       GLU  24   5.066   4.173   4.173
  183   2HB   GLU  24          2HB       GLU  24   6.264   5.239   5.239
  184   1HG   GLU  24          1HG       GLU  24   4.823   7.165   7.165
  185   2HG   GLU  24          2HG       GLU  24   3.856   6.535   6.535
  186    H    LEU  25           H        LEU  25   5.435   3.051   3.051
  187    HA   LEU  25           HA       LEU  25   7.939   1.560   1.560
  188   1HB   LEU  25          1HB       LEU  25   6.292  -0.034  -0.034
  189   2HB   LEU  25          2HB       LEU  25   5.247   1.036   1.036
  190    HG   LEU  25           HG       LEU  25   7.613  -0.322  -0.322
  191   1HD1  LEU  25          2HD1      LEU  25   6.374  -2.130  -2.130
  192   2HD1  LEU  25          3HD1      LEU  25   4.838  -1.606  -1.606
  193   3HD1  LEU  25          1HD1      LEU  25   6.136  -2.274  -2.274
  194   1HD2  LEU  25          2HD2      LEU  25   4.837   0.622   0.622
  195   2HD2  LEU  25          3HD2      LEU  25   6.412   1.379   1.379
  196   3HD2  LEU  25          1HD2      LEU  25   6.054  -0.224  -0.224
  197    H    ILE  26           H        ILE  26   6.843   3.577   3.577
  198    HA   ILE  26           HA       ILE  26   8.831   2.574   2.574
  199    HB   ILE  26           HB       ILE  26   7.090   5.076   5.076
  200   1HG1  ILE  26          1HG1      ILE  26   7.279   3.217   3.217
  201   2HG1  ILE  26          2HG1      ILE  26   6.326   2.762   2.762
  202   1HG2  ILE  26          2HG2      ILE  26   9.259   6.007   6.007
  203   2HG2  ILE  26          3HG2      ILE  26   9.266   4.749   4.749
  204   3HG2  ILE  26          1HG2      ILE  26   8.017   6.012   6.012
  205   1HD1  ILE  26          2HD1      ILE  26   4.912   4.843   4.843
  206   2HD1  ILE  26          3HD1      ILE  26   5.782   5.291   5.291
  207   3HD1  ILE  26          1HD1      ILE  26   4.826   3.800   3.800
  208    H    SER  27           H        SER  27   8.880   4.926   4.926
  209    HA   SER  27           HA       SER  27  11.589   5.934   5.934
  210   1HB   SER  27          1HB       SER  27  10.647   7.367   7.367
  211   2HB   SER  27          2HB       SER  27   9.727   6.112   6.112
  212    HG   SER  27           HG       SER  27  12.507   6.707   6.707
  213    H    ARG  28           H        ARG  28  10.312   3.220   3.220
  214    HA   ARG  28           HA       ARG  28  12.969   2.184   2.184
  215   1HB   ARG  28          1HB       ARG  28  11.123   1.269   1.269
  216   2HB   ARG  28          2HB       ARG  28  10.116   1.094   1.094
  217   1HG   ARG  28          1HG       ARG  28  11.989  -0.798  -0.798
  218   2HG   ARG  28          2HG       ARG  28  12.334  -0.759  -0.759
  219   1HD   ARG  28          1HD       ARG  28   9.432  -1.045  -1.045
  220   2HD   ARG  28          2HD       ARG  28  10.521  -2.456  -2.456
  221    HE   ARG  28           HE       ARG  28   9.573  -0.884  -0.884
  222   1HH1  ARG  28          2HH2      ARG  28  11.534  -3.500  -3.500
  223   2HH1  ARG  28          1HH2      ARG  28  11.694  -4.237  -4.237
  224   1HH2  ARG  28          1HH1      ARG  28   9.791  -1.737  -1.737
  225   2HH2  ARG  28          2HH1      ARG  28  10.746  -3.285  -3.285
  226    H    ILE  29           H        ILE  29  11.137   2.152   2.152
  227    HA   ILE  29           HA       ILE  29  12.442  -0.316  -0.316
  228    HB   ILE  29           HB       ILE  29  10.489   1.738   1.738
  229   1HG1  ILE  29          1HG1      ILE  29   9.939  -0.954  -0.954
  230   2HG1  ILE  29          2HG1      ILE  29  10.368  -1.091  -1.091
  231   1HG2  ILE  29          2HG2      ILE  29  12.151   1.694   1.694
  232   2HG2  ILE  29          3HG2      ILE  29  12.064  -0.083  -0.083
  233   3HG2  ILE  29          1HG2      ILE  29  10.661   0.921   0.921
  234   1HD1  ILE  29          2HD1      ILE  29   8.619   0.598   0.598
  235   2HD1  ILE  29          3HD1      ILE  29   8.075   0.688   0.688
  236   3HD1  ILE  29          1HD1      ILE  29   7.945  -0.838  -0.838
  237    H    LYS  30           H        LYS  30  12.946   3.121   3.121
  238    HA   LYS  30           HA       LYS  30  15.089   3.121   3.121
  239   1HB   LYS  30          1HB       LYS  30  14.362   4.865   4.865
  240   2HB   LYS  30          2HB       LYS  30  15.956   5.089   5.089
  241   1HG   LYS  30          1HG       LYS  30  14.006   6.600   6.600
  242   2HG   LYS  30          2HG       LYS  30  15.071   5.855   5.855
  243   1HD   LYS  30          1HD       LYS  30  12.975   3.960   3.960
  244   2HD   LYS  30          2HD       LYS  30  12.150   5.521   5.521
  245   1HE   LYS  30          1HE       LYS  30  13.098   6.363   6.363
  246   2HE   LYS  30          2HE       LYS  30  14.099   4.914   4.914
  247   1HZ   LYS  30          2HZ       LYS  30  11.202   4.563   4.563
  248   2HZ   LYS  30          3HZ       LYS  30  11.777   5.065   5.065
  249   3HZ   LYS  30          1HZ       LYS  30  12.301   3.608   3.608
  250    H    GLN  31           H        GLN  31  15.010   2.191   2.191
  251    HA   GLN  31           HA       GLN  31  18.021   1.868   1.868
  252   1HB   GLN  31          1HB       GLN  31  16.126   2.636   2.636
  253   2HB   GLN  31          2HB       GLN  31  16.381   0.947   0.947
  254   1HG   GLN  31          1HG       GLN  31  19.011   1.615   1.615
  255   2HG   GLN  31          2HG       GLN  31  18.428   3.259   3.259
  256   1HE2  GLN  31          2HE2      GLN  31  18.712   1.034   1.034
  257   2HE2  GLN  31          1HE2      GLN  31  19.094   0.346   0.346
  258    H    SER  32           H        SER  32  16.788   0.256   0.256
  259    HA   SER  32           HA       SER  32  18.067  -2.261  -2.261
  260   1HB   SER  32          1HB       SER  32  15.315  -2.985  -2.985
  261   2HB   SER  32          2HB       SER  32  16.277  -3.715  -3.715
  262    HG   SER  32           HG       SER  32  14.393  -2.636  -2.636
  263    H    GLU  33           H        GLU  33  18.674  -0.457  -0.457
  264    HA   GLU  33           HA       GLU  33  17.731  -1.744  -1.744
  265   1HB   GLU  33          1HB       GLU  33  18.154   1.057   1.057
  266   2HB   GLU  33          2HB       GLU  33  18.988   0.772   0.772
  267   1HG   GLU  33          1HG       GLU  33  16.170  -0.234  -0.234
  268   2HG   GLU  33          2HG       GLU  33  16.196   1.435   1.435
  269    H    LEU  34           H        LEU  34  19.789  -2.765  -2.765
  270    HA   LEU  34           HA       LEU  34  22.415  -1.812  -1.812
  271   1HB   LEU  34          1HB       LEU  34  23.333  -3.831  -3.831
  272   2HB   LEU  34          2HB       LEU  34  22.163  -3.012  -3.012
  273    HG   LEU  34           HG       LEU  34  21.354  -5.422  -5.422
  274   1HD1  LEU  34          2HD1      LEU  34  23.359  -6.090  -6.090
  275   2HD1  LEU  34          3HD1      LEU  34  22.566  -5.494  -5.494
  276   3HD1  LEU  34          1HD1      LEU  34  21.893  -6.888  -6.888
  277   1HD2  LEU  34          2HD2      LEU  34  20.205  -4.253  -4.253
  278   2HD2  LEU  34          3HD2      LEU  34  19.445  -4.219  -4.219
  279   3HD2  LEU  34          1HD2      LEU  34  19.644  -5.761  -5.761
  280    H    SER  35           H        SER  35  20.134  -3.615  -3.615
  281    HA   SER  35           HA       SER  35  20.266  -4.536  -4.536
  282   1HB   SER  35          1HB       SER  35  23.126  -3.719  -3.719
  283   2HB   SER  35          2HB       SER  35  22.964  -5.226  -5.226
  284    HG   SER  35           HG       SER  35  22.285  -2.665  -2.665
  285    H    ALA  36           H        ALA  36  20.351  -5.607  -5.607
  286    HA   ALA  36           HA       ALA  36  19.736  -7.810  -7.810
  287   1HB   ALA  36          2HB       ALA  36  18.568  -7.981  -7.981
  288   2HB   ALA  36          3HB       ALA  36  20.079  -8.514  -8.514
  289   3HB   ALA  36          1HB       ALA  36  19.278  -9.548  -9.548
  290    H    LYS  37           H        LYS  37  21.629  -7.603  -7.603
  291    HA   LYS  37           HA       LYS  37  23.747  -8.404  -8.404
  292   1HB   LYS  37          1HB       LYS  37  22.071 -10.616 -10.616
  293   2HB   LYS  37          2HB       LYS  37  23.593 -11.018 -11.018
  294   1HG   LYS  37          1HG       LYS  37  24.817 -10.781 -10.781
  295   2HG   LYS  37          2HG       LYS  37  23.340 -10.229 -10.229
  296   1HD   LYS  37          1HD       LYS  37  22.538 -12.697 -12.697
  297   2HD   LYS  37          2HD       LYS  37  24.269 -12.990 -12.990
  298   1HE   LYS  37          1HE       LYS  37  23.593 -13.449 -13.449
  299   2HE   LYS  37          2HE       LYS  37  23.733 -11.694 -11.694
  300   1HZ   LYS  37          2HZ       LYS  37  21.211 -12.604 -12.604
  301   2HZ   LYS  37          3HZ       LYS  37  21.498 -13.056 -13.056
  302   3HZ   LYS  37          1HZ       LYS  37  21.522 -11.430 -11.430
  303    H    MET  38           H        MET  38  23.661  -6.964  -6.964
  304    HA   MET  38           HA       MET  38  25.860  -8.105  -8.105
  305   1HB   MET  38          1HB       MET  38  24.862  -6.474  -6.474
  306   2HB   MET  38          2HB       MET  38  24.199  -5.634  -5.634
  307   1HG   MET  38          1HG       MET  38  25.917  -4.059  -4.059
  308   2HG   MET  38          2HG       MET  38  27.164  -5.241  -5.241
  309   1HE   MET  38          2HE       MET  38  28.374  -5.009  -5.009
  310   2HE   MET  38          1HE       MET  38  28.052  -4.402  -4.402
  311   3HE   MET  38          3HE       MET  38  28.228  -3.250  -3.250

  Start of MODEL   19
    1   1H    THR   1          3H        THR   1 -17.758 -10.643 -10.643
    2   2H    THR   1          1H        THR   1 -16.559  -9.473  -9.473
    3   3H    THR   1          2H        THR   1 -16.162 -11.103 -11.103
    4    HA   THR   1           HA       THR   1 -16.971 -11.362 -11.362
    5    HB   THR   1           HB       THR   1 -15.243  -9.202  -9.202
    6    HG1  THR   1           HG1      THR   1 -14.869  -9.376  -9.376
    7   1HG2  THR   1          3HG2      THR   1 -17.449  -8.138  -8.138
    8   2HG2  THR   1          1HG2      THR   1 -15.841  -7.409  -7.409
    9   3HG2  THR   1          2HG2      THR   1 -17.000  -7.404  -7.404
   10    HA   PRO   2           HA       PRO   2 -21.065 -10.216 -10.216
   11   1HB   PRO   2          1HB       PRO   2 -19.769  -9.231  -9.231
   12   2HB   PRO   2          2HB       PRO   2 -21.209 -10.428 -10.428
   13   1HG   PRO   2          1HG       PRO   2 -18.605 -11.303 -11.303
   14   2HG   PRO   2          2HG       PRO   2 -19.795 -12.130 -12.130
   15   1HD   PRO   2          1HD       PRO   2 -17.466 -10.091 -10.091
   16   2HD   PRO   2          2HD       PRO   2 -17.671 -11.690 -11.690
   17    H    ASP   3           H        ASP   3 -21.926  -8.429  -8.429
   18    HA   ASP   3           HA       ASP   3 -22.269  -5.991  -5.991
   19   1HB   ASP   3          1HB       ASP   3 -23.372  -6.597  -6.597
   20   2HB   ASP   3          2HB       ASP   3 -21.846  -6.344  -6.344
   21    H    VAL   4           H        VAL   4 -20.780  -5.170  -5.170
   22    HA   VAL   4           HA       VAL   4 -18.237  -4.199  -4.199
   23    HB   VAL   4           HB       VAL   4 -18.277  -5.225  -5.225
   24   1HG1  VAL   4          1HG2      VAL   4 -19.473  -2.508  -2.508
   25   2HG1  VAL   4          2HG2      VAL   4 -18.779  -3.745  -3.745
   26   3HG1  VAL   4          3HG2      VAL   4 -20.242  -4.103  -4.103
   27   1HG2  VAL   4          2HG1      VAL   4 -16.293  -3.845  -3.845
   28   2HG2  VAL   4          3HG1      VAL   4 -16.572  -3.701  -3.701
   29   3HG2  VAL   4          1HG1      VAL   4 -17.059  -2.377  -2.377
   30    H    SER   5           H        SER   5 -17.598  -2.133  -2.133
   31    HA   SER   5           HA       SER   5 -17.843   0.249   0.249
   32   1HB   SER   5          1HB       SER   5 -20.587  -0.481  -0.481
   33   2HB   SER   5          2HB       SER   5 -20.443   1.104   1.104
   34    HG   SER   5           HG       SER   5 -19.619   0.275   0.275
   35    H    SER   6           H        SER   6 -20.204  -1.766  -1.766
   36    HA   SER   6           HA       SER   6 -19.798   0.073   0.073
   37   1HB   SER   6          1HB       SER   6 -22.058  -1.892  -1.892
   38   2HB   SER   6          2HB       SER   6 -21.837  -1.342  -1.342
   39    HG   SER   6           HG       SER   6 -22.912   0.353   0.353
   40    H    ALA   7           H        ALA   7 -17.855  -1.725  -1.725
   41    HA   ALA   7           HA       ALA   7 -17.913  -3.866  -3.866
   42   1HB   ALA   7          2HB       ALA   7 -17.961  -4.786  -4.786
   43   2HB   ALA   7          3HB       ALA   7 -16.485  -3.878  -3.878
   44   3HB   ALA   7          1HB       ALA   7 -16.422  -5.205  -5.205
   45    H    LEU   8           H        LEU   8 -16.193  -1.247  -1.247
   46    HA   LEU   8           HA       LEU   8 -13.785  -1.654  -1.654
   47   1HB   LEU   8          1HB       LEU   8 -13.945  -0.325  -0.325
   48   2HB   LEU   8          2HB       LEU   8 -14.660   0.972   0.972
   49    HG   LEU   8           HG       LEU   8 -12.588   1.227   1.227
   50   1HD1  LEU   8          2HD1      LEU   8 -11.853  -1.175  -1.175
   51   2HD1  LEU   8          3HD1      LEU   8 -11.438  -1.078  -1.078
   52   3HD1  LEU   8          1HD1      LEU   8 -10.538  -0.112  -0.112
   53   1HD2  LEU   8          2HD2      LEU   8 -12.041   1.180   1.180
   54   2HD2  LEU   8          3HD2      LEU   8 -12.671   2.547   2.547
   55   3HD2  LEU   8          1HD2      LEU   8 -11.013   1.995   1.995
   56    H    ASP   9           H        ASP   9 -16.902  -0.220  -0.220
   57    HA   ASP   9           HA       ASP   9 -16.490   1.477   1.477
   58   1HB   ASP   9          1HB       ASP   9 -18.778   1.018   1.018
   59   2HB   ASP   9          2HB       ASP   9 -18.752  -0.607  -0.607
   60    H    LYS  10           H        LYS  10 -16.544  -2.030  -2.030
   61    HA   LYS  10           HA       LYS  10 -16.300  -2.271  -2.271
   62   1HB   LYS  10          1HB       LYS  10 -16.214  -4.086  -4.086
   63   2HB   LYS  10          2HB       LYS  10 -15.119  -4.612  -4.612
   64   1HG   LYS  10          1HG       LYS  10 -17.908  -3.820  -3.820
   65   2HG   LYS  10          2HG       LYS  10 -17.835  -5.237  -5.237
   66   1HD   LYS  10          1HD       LYS  10 -15.978  -6.080  -6.080
   67   2HD   LYS  10          2HD       LYS  10 -16.543  -4.763  -4.763
   68   1HE   LYS  10          1HE       LYS  10 -18.661  -6.589  -6.589
   69   2HE   LYS  10          2HE       LYS  10 -17.740  -7.223  -7.223
   70   1HZ   LYS  10          1HZ       LYS  10 -18.625  -4.505  -4.505
   71   2HZ   LYS  10          2HZ       LYS  10 -19.885  -5.600  -5.600
   72   3HZ   LYS  10          3HZ       LYS  10 -18.745  -5.842  -5.842
   73    H    LEU  11           H        LEU  11 -14.039  -1.963  -1.963
   74    HA   LEU  11           HA       LEU  11 -11.750  -2.180  -2.180
   75   1HB   LEU  11          1HB       LEU  11 -12.026  -2.238  -2.238
   76   2HB   LEU  11          2HB       LEU  11 -10.527  -1.580  -1.580
   77    HG   LEU  11           HG       LEU  11  -9.731  -3.629  -3.629
   78   1HD1  LEU  11          2HD1      LEU  11 -11.587  -4.047  -4.047
   79   2HD1  LEU  11          3HD1      LEU  11 -12.634  -4.654  -4.654
   80   3HD1  LEU  11          1HD1      LEU  11 -11.153  -5.536  -5.536
   81   1HD2  LEU  11          2HD2      LEU  11 -11.742  -4.490  -4.490
   82   2HD2  LEU  11          3HD2      LEU  11 -10.065  -3.940  -3.940
   83   3HD2  LEU  11          1HD2      LEU  11 -10.370  -5.477  -5.477
   84    H    LYS  12           H        LYS  12 -13.765   0.147   0.147
   85    HA   LYS  12           HA       LYS  12 -11.890   2.405   2.405
   86   1HB   LYS  12          1HB       LYS  12 -14.657   2.238   2.238
   87   2HB   LYS  12          2HB       LYS  12 -14.197   2.814   2.814
   88   1HG   LYS  12          1HG       LYS  12 -14.695   4.756   4.756
   89   2HG   LYS  12          2HG       LYS  12 -12.990   4.785   4.785
   90   1HD   LYS  12          1HD       LYS  12 -12.370   4.656   4.656
   91   2HD   LYS  12          2HD       LYS  12 -13.451   3.285   3.285
   92   1HE   LYS  12          1HE       LYS  12 -14.401   5.068   5.068
   93   2HE   LYS  12          2HE       LYS  12 -15.455   5.003   5.003
   94   1HZ   LYS  12          2HZ       LYS  12 -13.069   6.741   6.741
   95   2HZ   LYS  12          3HZ       LYS  12 -14.471   7.245   7.245
   96   3HZ   LYS  12          1HZ       LYS  12 -14.508   6.878   6.878
   97    H    GLU  13           H        GLU  13 -11.207   3.887   3.887
   98    HA   GLU  13           HA       GLU  13  -9.762   4.049   4.049
   99   1HB   GLU  13          1HB       GLU  13 -11.851   2.708   2.708
  100   2HB   GLU  13          2HB       GLU  13 -10.747   1.354   1.354
  101   1HG   GLU  13          1HG       GLU  13 -10.551   2.277   2.277
  102   2HG   GLU  13          2HG       GLU  13  -9.102   2.840   2.840
  103    H    PHE  14           H        PHE  14  -9.901   0.509   0.509
  104    HA   PHE  14           HA       PHE  14  -7.255  -0.193  -0.193
  105   1HB   PHE  14          1HB       PHE  14  -9.591  -1.358  -1.358
  106   2HB   PHE  14          2HB       PHE  14  -8.161  -1.467  -1.467
  107    HD1  PHE  14           HD1      PHE  14  -8.154  -1.667  -1.667
  108    HD2  PHE  14           HD2      PHE  14  -7.844  -3.834  -3.834
  109    HE1  PHE  14           HE1      PHE  14  -7.510  -3.689  -3.689
  110    HE2  PHE  14           HE2      PHE  14  -7.213  -5.861  -5.861
  111    HZ   PHE  14           HZ       PHE  14  -7.031  -5.791  -5.791
  112    H    GLY  15           H        GLY  15  -8.670   1.846   1.846
  113   1HA   GLY  15          1HA       GLY  15  -6.299   1.365   1.365
  114   2HA   GLY  15          2HA       GLY  15  -7.703   2.396   2.396
  115    H    ASN  16           H        ASN  16  -7.886   4.089   4.089
  116    HA   ASN  16           HA       ASN  16  -5.946   6.118   6.118
  117   1HB   ASN  16          1HB       ASN  16  -7.961   6.736   6.736
  118   2HB   ASN  16          2HB       ASN  16  -7.759   5.499   5.499
  119   1HD2  ASN  16          1HD2      ASN  16  -6.754   8.236   8.236
  120   2HD2  ASN  16          2HD2      ASN  16  -8.179   7.156   7.156
  121    H    THR  17           H        THR  17  -5.709   3.418   3.418
  122    HA   THR  17           HA       THR  17  -3.542   4.630   4.630
  123    HB   THR  17           HB       THR  17  -4.447   1.684   1.684
  124    HG1  THR  17           HG1      THR  17  -5.551   2.142   2.142
  125   1HG2  THR  17          3HG2      THR  17  -2.824   2.967   2.967
  126   2HG2  THR  17          1HG2      THR  17  -3.488   1.314   1.314
  127   3HG2  THR  17          2HG2      THR  17  -2.202   1.743   1.743
  128    H    LEU  18           H        LEU  18  -3.702   2.338   2.338
  129    HA   LEU  18           HA       LEU  18  -0.806   1.859   1.859
  130   1HB   LEU  18          1HB       LEU  18  -2.474   1.918   1.918
  131   2HB   LEU  18          2HB       LEU  18  -1.184   0.818   0.818
  132    HG   LEU  18           HG       LEU  18  -4.134   0.704   0.704
  133   1HD1  LEU  18          2HD1      LEU  18  -3.128  -0.687  -0.687
  134   2HD1  LEU  18          3HD1      LEU  18  -2.021  -1.459  -1.459
  135   3HD1  LEU  18          1HD1      LEU  18  -3.778  -1.716  -1.716
  136   1HD2  LEU  18          2HD2      LEU  18  -1.993  -0.554  -0.554
  137   2HD2  LEU  18          3HD2      LEU  18  -3.214   0.663   0.663
  138   3HD2  LEU  18          1HD2      LEU  18  -3.729  -0.970  -0.970
  139    H    GLU  19           H        GLU  19  -2.773   4.491   4.491
  140    HA   GLU  19           HA       GLU  19  -0.392   5.639   5.639
  141   1HB   GLU  19          1HB       GLU  19  -2.972   5.596   5.596
  142   2HB   GLU  19          2HB       GLU  19  -3.160   6.935   6.935
  143   1HG   GLU  19          1HG       GLU  19  -0.911   7.588   7.588
  144   2HG   GLU  19          2HG       GLU  19  -2.193   6.970   6.970
  145    H    ASP  20           H        ASP  20  -0.443   5.326   5.326
  146    HA   ASP  20           HA       ASP  20   0.490   8.189   8.189
  147   1HB   ASP  20          1HB       ASP  20  -1.839   7.447   7.447
  148   2HB   ASP  20          2HB       ASP  20  -0.740   6.692   6.692
  149    H    LYS  21           H        LYS  21   0.545   4.888   4.888
  150    HA   LYS  21           HA       LYS  21   3.200   5.392   5.392
  151   1HB   LYS  21          1HB       LYS  21   2.719   3.458   3.458
  152   2HB   LYS  21          2HB       LYS  21   1.098   3.634   3.634
  153   1HG   LYS  21          1HG       LYS  21   2.614   2.256   2.256
  154   2HG   LYS  21          2HG       LYS  21   3.132   1.539   1.539
  155   1HD   LYS  21          1HD       LYS  21   1.070   0.501   0.501
  156   2HD   LYS  21          2HD       LYS  21   0.152   1.898   1.898
  157   1HE   LYS  21          1HE       LYS  21  -0.163   0.600   0.600
  158   2HE   LYS  21          2HE       LYS  21   1.446   1.185   1.185
  159   1HZ   LYS  21          1HZ       LYS  21   0.942  -1.295  -1.295
  160   2HZ   LYS  21          2HZ       LYS  21   1.277  -1.231  -1.231
  161   3HZ   LYS  21          3HZ       LYS  21   2.437  -0.739  -0.739
  162    H    ALA  22           H        ALA  22   2.007   4.218   4.218
  163    HA   ALA  22           HA       ALA  22   4.596   3.039   3.039
  164   1HB   ALA  22          2HB       ALA  22   2.394   2.496   2.496
  165   2HB   ALA  22          3HB       ALA  22   2.223   4.183   4.183
  166   3HB   ALA  22          1HB       ALA  22   3.526   3.160   3.160
  167    H    ARG  23           H        ARG  23   3.362   6.260   6.260
  168    HA   ARG  23           HA       ARG  23   5.241   7.537   7.537
  169   1HB   ARG  23          1HB       ARG  23   3.437   8.340   8.340
  170   2HB   ARG  23          2HB       ARG  23   4.878   9.338   9.338
  171   1HG   ARG  23          1HG       ARG  23   3.040  10.390  10.390
  172   2HG   ARG  23          2HG       ARG  23   4.369   9.950   9.950
  173   1HD   ARG  23          1HD       ARG  23   2.372   7.736   7.736
  174   2HD   ARG  23          2HD       ARG  23   1.649   9.241   9.241
  175    HE   ARG  23           HE       ARG  23   4.257   8.366   8.366
  176   1HH1  ARG  23          2HH2      ARG  23   0.810   8.576   8.576
  177   2HH1  ARG  23          1HH2      ARG  23   0.898   8.288   8.288
  178   1HH2  ARG  23          1HH1      ARG  23   4.273   8.055   8.055
  179   2HH2  ARG  23          2HH1      ARG  23   2.778   8.003   8.003
  180    H    GLU  24           H        GLU  24   5.518   6.740   6.740
  181    HA   GLU  24           HA       GLU  24   8.256   7.968   7.968
  182   1HB   GLU  24          1HB       GLU  24   6.928   6.146   6.146
  183   2HB   GLU  24          2HB       GLU  24   8.212   7.298   7.298
  184   1HG   GLU  24          1HG       GLU  24   6.726   9.192   9.192
  185   2HG   GLU  24          2HG       GLU  24   5.522   8.388   8.388
  186    H    LEU  25           H        LEU  25   6.844   4.746   4.746
  187    HA   LEU  25           HA       LEU  25   9.397   3.289   3.289
  188   1HB   LEU  25          1HB       LEU  25   7.773   1.676   1.676
  189   2HB   LEU  25          2HB       LEU  25   6.550   2.690   2.690
  190    HG   LEU  25           HG       LEU  25   8.595   1.148   1.148
  191   1HD1  LEU  25          2HD1      LEU  25   7.406  -0.482  -0.482
  192   2HD1  LEU  25          3HD1      LEU  25   5.827   0.144   0.144
  193   3HD1  LEU  25          1HD1      LEU  25   6.901  -0.687  -0.687
  194   1HD2  LEU  25          2HD2      LEU  25   5.788   2.289   2.289
  195   2HD2  LEU  25          3HD2      LEU  25   7.353   2.881   2.881
  196   3HD2  LEU  25          1HD2      LEU  25   6.771   1.288   1.288
  197    H    ILE  26           H        ILE  26   7.867   5.100   5.100
  198    HA   ILE  26           HA       ILE  26   9.504   3.956   3.956
  199    HB   ILE  26           HB       ILE  26   7.731   6.381   6.381
  200   1HG1  ILE  26          1HG1      ILE  26   7.856   4.745   4.745
  201   2HG1  ILE  26          2HG1      ILE  26   7.169   4.007   4.007
  202   1HG2  ILE  26          2HG2      ILE  26   9.750   7.521   7.521
  203   2HG2  ILE  26          3HG2      ILE  26   9.768   6.319   6.319
  204   3HG2  ILE  26          1HG2      ILE  26   8.430   7.475   7.475
  205   1HD1  ILE  26          2HD1      ILE  26   5.471   5.856   5.856
  206   2HD1  ILE  26          3HD1      ILE  26   6.065   6.584   6.584
  207   3HD1  ILE  26          1HD1      ILE  26   5.338   4.969   4.969
  208    H    SER  27           H        SER  27   9.963   6.572   6.572
  209    HA   SER  27           HA       SER  27  12.584   7.368   7.368
  210   1HB   SER  27          1HB       SER  27  12.048   9.027   9.027
  211   2HB   SER  27          2HB       SER  27  11.000   7.999   7.999
  212    HG   SER  27           HG       SER  27  12.844   7.189   7.189
  213    H    ARG  28           H        ARG  28  11.492   4.903   4.903
  214    HA   ARG  28           HA       ARG  28  14.218   3.915   3.915
  215   1HB   ARG  28          1HB       ARG  28  12.327   3.313   3.313
  216   2HB   ARG  28          2HB       ARG  28  11.388   2.679   2.679
  217   1HG   ARG  28          1HG       ARG  28  13.387   0.865   0.865
  218   2HG   ARG  28          2HG       ARG  28  13.827   1.414   1.414
  219   1HD   ARG  28          1HD       ARG  28  11.512   0.856   0.856
  220   2HD   ARG  28          2HD       ARG  28  11.036   0.359   0.359
  221    HE   ARG  28           HE       ARG  28  13.144  -1.282  -1.282
  222   1HH1  ARG  28          2HH2      ARG  28  10.893  -0.498  -0.498
  223   2HH1  ARG  28          1HH2      ARG  28  11.180  -2.105  -2.105
  224   1HH2  ARG  28          1HH1      ARG  28  13.403  -2.993  -2.993
  225   2HH2  ARG  28          2HH1      ARG  28  12.540  -3.467  -3.467
  226    H    ILE  29           H        ILE  29  12.060   3.578   3.578
  227    HA   ILE  29           HA       ILE  29  13.224   0.959   0.959
  228    HB   ILE  29           HB       ILE  29  11.126   2.862   2.862
  229   1HG1  ILE  29          1HG1      ILE  29   9.783   1.244   1.244
  230   2HG1  ILE  29          2HG1      ILE  29  10.202   0.289   0.289
  231   1HG2  ILE  29          2HG2      ILE  29  12.509   2.499   2.499
  232   2HG2  ILE  29          3HG2      ILE  29  12.423   0.736   0.736
  233   3HG2  ILE  29          1HG2      ILE  29  10.971   1.689   1.689
  234   1HD1  ILE  29          2HD1      ILE  29  12.077  -0.858  -0.858
  235   2HD1  ILE  29          3HD1      ILE  29  11.617   0.010   0.010
  236   3HD1  ILE  29          1HD1      ILE  29  10.481  -1.124  -1.124
  237    H    LYS  30           H        LYS  30  13.636   4.330   4.330
  238    HA   LYS  30           HA       LYS  30  15.616   3.843   3.843
  239   1HB   LYS  30          1HB       LYS  30  14.919   6.223   6.223
  240   2HB   LYS  30          2HB       LYS  30  16.373   6.307   6.307
  241   1HG   LYS  30          1HG       LYS  30  15.095   6.929   6.929
  242   2HG   LYS  30          2HG       LYS  30  14.271   5.372   5.372
  243   1HD   LYS  30          1HD       LYS  30  12.394   6.297   6.297
  244   2HD   LYS  30          2HD       LYS  30  13.350   7.511   7.511
  245   1HE   LYS  30          1HE       LYS  30  13.602   7.904   7.904
  246   2HE   LYS  30          2HE       LYS  30  11.900   7.946   7.946
  247   1HZ   LYS  30          3HZ       LYS  30  13.769   9.370   9.370
  248   2HZ   LYS  30          1HZ       LYS  30  13.493  10.031  10.031
  249   3HZ   LYS  30          2HZ       LYS  30  12.205   9.770   9.770
  250    H    GLN  31           H        GLN  31  15.818   4.211   4.211
  251    HA   GLN  31           HA       GLN  31  18.841   4.115   4.115
  252   1HB   GLN  31          1HB       GLN  31  17.018   5.523   5.523
  253   2HB   GLN  31          2HB       GLN  31  17.473   4.206   4.206
  254   1HG   GLN  31          1HG       GLN  31  20.005   4.927   4.927
  255   2HG   GLN  31          2HG       GLN  31  19.303   6.397   6.397
  256   1HE2  GLN  31          2HE2      GLN  31  19.159   5.884   5.884
  257   2HE2  GLN  31          1HE2      GLN  31  18.897   4.425   4.425
  258    H    SER  32           H        SER  32  17.442   1.799   1.799
  259    HA   SER  32           HA       SER  32  18.959  -0.195  -0.195
  260   1HB   SER  32          1HB       SER  32  17.345  -0.183  -0.183
  261   2HB   SER  32          2HB       SER  32  16.021   0.259   0.259
  262    HG   SER  32           HG       SER  32  15.623  -1.817  -1.817
  263    H    GLU  33           H        GLU  33  15.951  -0.819  -0.819
  264    HA   GLU  33           HA       GLU  33  15.377  -1.798  -1.798
  265   1HB   GLU  33          1HB       GLU  33  17.135   0.314   0.314
  266   2HB   GLU  33          2HB       GLU  33  18.175  -0.976  -0.976
  267   1HG   GLU  33          1HG       GLU  33  15.378  -0.965  -0.965
  268   2HG   GLU  33          2HG       GLU  33  16.233   0.534   0.534
  269    H    LEU  34           H        LEU  34  17.101  -3.236  -3.236
  270    HA   LEU  34           HA       LEU  34  18.086  -5.439  -5.439
  271   1HB   LEU  34          1HB       LEU  34  18.844  -6.587  -6.587
  272   2HB   LEU  34          2HB       LEU  34  19.520  -4.977  -4.977
  273    HG   LEU  34           HG       LEU  34  16.999  -5.277  -5.277
  274   1HD1  LEU  34          2HD1      LEU  34  18.399  -7.249  -7.249
  275   2HD1  LEU  34          3HD1      LEU  34  19.797  -6.184  -6.184
  276   3HD1  LEU  34          1HD1      LEU  34  18.334  -6.039  -6.039
  277   1HD2  LEU  34          2HD2      LEU  34  19.578  -3.584  -3.584
  278   2HD2  LEU  34          3HD2      LEU  34  17.979  -3.005  -3.005
  279   3HD2  LEU  34          1HD2      LEU  34  18.196  -3.568  -3.568
  280    H    SER  35           H        SER  35  15.584  -4.777  -4.777
  281    HA   SER  35           HA       SER  35  13.381  -5.658  -5.658
  282   1HB   SER  35          1HB       SER  35  13.936  -5.675  -5.675
  283   2HB   SER  35          2HB       SER  35  13.801  -7.413  -7.413
  284    HG   SER  35           HG       SER  35  11.864  -5.591  -5.591
  285    H    ALA  36           H        ALA  36  15.975  -7.220  -7.220
  286    HA   ALA  36           HA       ALA  36  16.086  -8.900  -8.900
  287   1HB   ALA  36          2HB       ALA  36  13.688  -8.415  -8.415
  288   2HB   ALA  36          3HB       ALA  36  13.121  -9.471  -9.471
  289   3HB   ALA  36          1HB       ALA  36  13.981 -10.163 -10.163
  290    H    LYS  37           H        LYS  37  14.933  -9.573  -9.573
  291    HA   LYS  37           HA       LYS  37  16.109 -12.393 -12.393
  292   1HB   LYS  37          1HB       LYS  37  13.876 -12.801 -12.801
  293   2HB   LYS  37          2HB       LYS  37  13.710 -11.260 -11.260
  294   1HG   LYS  37          1HG       LYS  37  14.989 -12.101 -12.101
  295   2HG   LYS  37          2HG       LYS  37  15.481 -13.552 -13.552
  296   1HD   LYS  37          1HD       LYS  37  12.583 -12.806 -12.806
  297   2HD   LYS  37          2HD       LYS  37  13.639 -13.867 -13.867
  298   1HE   LYS  37          1HE       LYS  37  13.083 -15.666 -15.666
  299   2HE   LYS  37          2HE       LYS  37  13.780 -14.855 -14.855
  300   1HZ   LYS  37          2HZ       LYS  37  11.588 -13.530 -13.530
  301   2HZ   LYS  37          3HZ       LYS  37  10.993 -14.767 -14.767
  302   3HZ   LYS  37          1HZ       LYS  37  11.582 -15.114 -15.114
  303    H    MET  38           H        MET  38  16.046  -9.394  -9.394
  304    HA   MET  38           HA       MET  38  18.168 -10.363 -10.363
  305   1HB   MET  38          1HB       MET  38  16.391  -8.120  -8.120
  306   2HB   MET  38          2HB       MET  38  17.970  -7.404  -7.404
  307   1HG   MET  38          1HG       MET  38  17.992  -9.296  -9.296
  308   2HG   MET  38          2HG       MET  38  16.869  -7.933  -7.933
  309   1HE   MET  38          2HE       MET  38  18.262  -7.889  -7.889
  310   2HE   MET  38          1HE       MET  38  18.856  -6.201  -6.201
  311   3HE   MET  38          3HE       MET  38  20.019  -7.563  -7.563

  Start of MODEL   20
    1   1H    THR   1          3H        THR   1 -15.229 -12.424 -12.424
    2   2H    THR   1          1H        THR   1 -14.866 -11.330 -11.330
    3   3H    THR   1          2H        THR   1 -13.630 -11.996 -11.996
    4    HA   THR   1           HA       THR   1 -14.206 -10.844 -10.844
    5    HB   THR   1           HB       THR   1 -14.818  -8.655  -8.655
    6    HG1  THR   1           HG1      THR   1 -12.715  -8.776  -8.776
    7   1HG2  THR   1          3HG2      THR   1 -12.517  -8.913  -8.913
    8   2HG2  THR   1          1HG2      THR   1 -12.839  -7.487  -7.487
    9   3HG2  THR   1          2HG2      THR   1 -13.998  -7.952  -7.952
   10    HA   PRO   2           HA       PRO   2 -18.392 -10.076 -10.076
   11   1HB   PRO   2          1HB       PRO   2 -17.243  -7.432  -7.432
   12   2HB   PRO   2          2HB       PRO   2 -18.293  -8.704  -8.704
   13   1HG   PRO   2          1HG       PRO   2 -15.507  -8.514  -8.514
   14   2HG   PRO   2          2HG       PRO   2 -16.504 -10.116 -10.116
   15   1HD   PRO   2          1HD       PRO   2 -14.871  -8.432  -8.432
   16   2HD   PRO   2          2HD       PRO   2 -14.708 -10.229 -10.229
   17    H    ASP   3           H        ASP   3 -19.631  -7.718  -7.718
   18    HA   ASP   3           HA       ASP   3 -20.772  -6.909  -6.909
   19   1HB   ASP   3          1HB       ASP   3 -21.284  -6.106  -6.106
   20   2HB   ASP   3          2HB       ASP   3 -20.131  -4.830  -4.830
   21    H    VAL   4           H        VAL   4 -17.769  -5.778  -5.778
   22    HA   VAL   4           HA       VAL   4 -16.054  -4.431  -4.431
   23    HB   VAL   4           HB       VAL   4 -16.282  -6.699  -6.699
   24   1HG1  VAL   4          1HG2      VAL   4 -17.027  -4.718  -4.718
   25   2HG1  VAL   4          2HG2      VAL   4 -16.516  -6.410  -6.410
   26   3HG1  VAL   4          3HG2      VAL   4 -18.031  -6.064  -6.064
   27   1HG2  VAL   4          2HG1      VAL   4 -14.121  -5.380  -5.380
   28   2HG2  VAL   4          3HG1      VAL   4 -14.347  -6.128  -6.128
   29   3HG2  VAL   4          1HG1      VAL   4 -14.641  -4.382  -4.382
   30    H    SER   5           H        SER   5 -18.595  -3.217  -3.217
   31    HA   SER   5           HA       SER   5 -18.290  -1.142  -1.142
   32   1HB   SER   5          1HB       SER   5 -20.631  -3.005  -3.005
   33   2HB   SER   5          2HB       SER   5 -21.104  -1.317  -1.317
   34    HG   SER   5           HG       SER   5 -19.485  -1.354  -1.354
   35    H    SER   6           H        SER   6 -20.111  -2.128  -2.128
   36    HA   SER   6           HA       SER   6 -19.474   0.670   0.670
   37   1HB   SER   6          1HB       SER   6 -21.878  -0.767  -0.767
   38   2HB   SER   6          2HB       SER   6 -21.637   0.956   0.956
   39    HG   SER   6           HG       SER   6 -21.817   0.396   0.396
   40    H    ALA   7           H        ALA   7 -17.892  -1.666  -1.666
   41    HA   ALA   7           HA       ALA   7 -18.316  -2.633  -2.633
   42   1HB   ALA   7          2HB       ALA   7 -17.886  -4.346  -4.346
   43   2HB   ALA   7          3HB       ALA   7 -16.339  -3.562  -3.562
   44   3HB   ALA   7          1HB       ALA   7 -16.554  -4.368  -4.368
   45    H    LEU   8           H        LEU   8 -16.212  -0.708  -0.708
   46    HA   LEU   8           HA       LEU   8 -14.085  -0.205  -0.205
   47   1HB   LEU   8          1HB       LEU   8 -15.019   2.233   2.233
   48   2HB   LEU   8          2HB       LEU   8 -13.526   1.217   1.217
   49    HG   LEU   8           HG       LEU   8 -15.007  -0.180  -0.180
   50   1HD1  LEU   8          2HD1      LEU   8 -17.230   0.701   0.701
   51   2HD1  LEU   8          3HD1      LEU   8 -16.816   2.328   2.328
   52   3HD1  LEU   8          1HD1      LEU   8 -17.008   0.976   0.976
   53   1HD2  LEU   8          2HD2      LEU   8 -14.343   2.750   2.750
   54   2HD2  LEU   8          3HD2      LEU   8 -13.279   1.332   1.332
   55   3HD2  LEU   8          1HD2      LEU   8 -14.735   1.451   1.451
   56    H    ASP   9           H        ASP   9 -17.322   1.094   1.094
   57    HA   ASP   9           HA       ASP   9 -17.000   3.241   3.241
   58   1HB   ASP   9          1HB       ASP   9 -19.121   3.003   3.003
   59   2HB   ASP   9          2HB       ASP   9 -19.435   1.430   1.430
   60    H    LYS  10           H        LYS  10 -17.563  -0.146  -0.146
   61    HA   LYS  10           HA       LYS  10 -18.127   0.228   0.228
   62   1HB   LYS  10          1HB       LYS  10 -18.362  -1.907  -1.907
   63   2HB   LYS  10          2HB       LYS  10 -16.806  -2.340  -2.340
   64   1HG   LYS  10          1HG       LYS  10 -18.054  -1.916  -1.916
   65   2HG   LYS  10          2HG       LYS  10 -19.527  -2.064  -2.064
   66   1HD   LYS  10          1HD       LYS  10 -19.091  -4.377  -4.377
   67   2HD   LYS  10          2HD       LYS  10 -17.346  -4.211  -4.211
   68   1HE   LYS  10          1HE       LYS  10 -17.768  -3.715  -3.715
   69   2HE   LYS  10          2HE       LYS  10 -19.508  -3.933  -3.933
   70   1HZ   LYS  10          3HZ       LYS  10 -17.806  -6.082  -6.082
   71   2HZ   LYS  10          1HZ       LYS  10 -17.893  -5.910  -5.910
   72   3HZ   LYS  10          2HZ       LYS  10 -19.297  -6.149  -6.149
   73    H    LEU  11           H        LEU  11 -15.201  -0.219  -0.219
   74    HA   LEU  11           HA       LEU  11 -13.634  -0.130  -0.130
   75   1HB   LEU  11          1HB       LEU  11 -12.180  -0.531  -0.531
   76   2HB   LEU  11          2HB       LEU  11 -11.880  -1.270  -1.270
   77    HG   LEU  11           HG       LEU  11 -14.282  -2.081  -2.081
   78   1HD1  LEU  11          2HD1      LEU  11 -12.185  -2.356  -2.356
   79   2HD1  LEU  11          3HD1      LEU  11 -11.438  -3.308  -3.308
   80   3HD1  LEU  11          1HD1      LEU  11 -12.864  -3.933  -3.933
   81   1HD2  LEU  11          2HD2      LEU  11 -12.772  -3.550  -3.550
   82   2HD2  LEU  11          3HD2      LEU  11 -14.426  -2.894  -2.894
   83   3HD2  LEU  11          1HD2      LEU  11 -14.074  -4.265  -4.265
   84    H    LYS  12           H        LYS  12 -14.941   2.130   2.130
   85    HA   LYS  12           HA       LYS  12 -13.076   4.046   4.046
   86   1HB   LYS  12          1HB       LYS  12 -15.585   4.412   4.412
   87   2HB   LYS  12          2HB       LYS  12 -15.140   4.606   4.606
   88   1HG   LYS  12          1HG       LYS  12 -15.320   6.859   6.859
   89   2HG   LYS  12          2HG       LYS  12 -13.608   6.563   6.563
   90   1HD   LYS  12          1HD       LYS  12 -13.123   6.708   6.708
   91   2HD   LYS  12          2HD       LYS  12 -14.552   5.771   5.771
   92   1HE   LYS  12          1HE       LYS  12 -15.519   8.265   8.265
   93   2HE   LYS  12          2HE       LYS  12 -14.264   8.702   8.702
   94   1HZ   LYS  12          1HZ       LYS  12 -15.419   7.074   7.074
   95   2HZ   LYS  12          2HZ       LYS  12 -16.715   7.116   7.116
   96   3HZ   LYS  12          3HZ       LYS  12 -16.202   8.528   8.528
   97    H    GLU  13           H        GLU  13 -13.918   4.257   4.257
   98    HA   GLU  13           HA       GLU  13 -11.637   5.342   5.342
   99   1HB   GLU  13          1HB       GLU  13 -12.004   3.360   3.360
  100   2HB   GLU  13          2HB       GLU  13 -13.078   4.727   4.727
  101   1HG   GLU  13          1HG       GLU  13 -13.921   2.480   2.480
  102   2HG   GLU  13          2HG       GLU  13 -13.780   1.936   1.936
  103    H    PHE  14           H        PHE  14 -11.796   1.794   1.794
  104    HA   PHE  14           HA       PHE  14  -9.209   1.276   1.276
  105   1HB   PHE  14          1HB       PHE  14 -10.444  -0.703  -0.703
  106   2HB   PHE  14          2HB       PHE  14 -11.081  -0.216  -0.216
  107    HD1  PHE  14           HD2      PHE  14  -7.851  -1.372  -1.372
  108    HD2  PHE  14           HD1      PHE  14 -10.225  -1.150  -1.150
  109    HE1  PHE  14           HE2      PHE  14  -6.334  -2.962  -2.962
  110    HE2  PHE  14           HE1      PHE  14  -8.694  -2.718  -2.718
  111    HZ   PHE  14           HZ       PHE  14  -6.743  -3.628  -3.628
  112    H    GLY  15           H        GLY  15  -9.826   2.607   2.607
  113   1HA   GLY  15          1HA       GLY  15  -7.118   1.632   1.632
  114   2HA   GLY  15          2HA       GLY  15  -8.335   2.506   2.506
  115    H    ASN  16           H        ASN  16  -8.900   4.591   4.591
  116    HA   ASN  16           HA       ASN  16  -6.811   6.518   6.518
  117   1HB   ASN  16          1HB       ASN  16  -8.948   7.393   7.393
  118   2HB   ASN  16          2HB       ASN  16  -9.105   6.290   6.290
  119   1HD2  ASN  16          1HD2      ASN  16  -8.148   8.966   8.966
  120   2HD2  ASN  16          2HD2      ASN  16  -9.354   7.621   7.621
  121    H    THR  17           H        THR  17  -7.299   4.316   4.316
  122    HA   THR  17           HA       THR  17  -5.082   5.474   5.474
  123    HB   THR  17           HB       THR  17  -6.231   2.615   2.615
  124    HG1  THR  17           HG1      THR  17  -7.715   3.536   3.536
  125   1HG2  THR  17          3HG2      THR  17  -5.115   4.476   4.476
  126   2HG2  THR  17          1HG2      THR  17  -5.837   2.869   2.869
  127   3HG2  THR  17          2HG2      THR  17  -4.311   3.010   3.010
  128    H    LEU  18           H        LEU  18  -5.404   2.838   2.838
  129    HA   LEU  18           HA       LEU  18  -2.604   1.936   1.936
  130   1HB   LEU  18          1HB       LEU  18  -3.340   0.266   0.266
  131   2HB   LEU  18          2HB       LEU  18  -4.904   1.056   1.056
  132    HG   LEU  18           HG       LEU  18  -3.692   2.452   2.452
  133   1HD1  LEU  18          2HD1      LEU  18  -1.513   1.225   1.225
  134   2HD1  LEU  18          3HD1      LEU  18  -2.330  -0.330  -0.330
  135   3HD1  LEU  18          1HD1      LEU  18  -2.248   0.899   0.899
  136   1HD2  LEU  18          2HD2      LEU  18  -5.012  -0.342  -0.342
  137   2HD2  LEU  18          3HD2      LEU  18  -5.838   1.235   1.235
  138   3HD2  LEU  18          1HD2      LEU  18  -4.761   0.803   0.803
  139    H    GLU  19           H        GLU  19  -3.994   4.643   4.643
  140    HA   GLU  19           HA       GLU  19  -1.383   5.057   5.057
  141   1HB   GLU  19          1HB       GLU  19  -3.953   5.389   5.389
  142   2HB   GLU  19          2HB       GLU  19  -3.791   6.951   6.951
  143   1HG   GLU  19          1HG       GLU  19  -2.296   7.777   7.777
  144   2HG   GLU  19          2HG       GLU  19  -1.569   6.222   6.222
  145    H    ASP  20           H        ASP  20  -1.693   5.249   5.249
  146    HA   ASP  20           HA       ASP  20  -0.211   7.898   7.898
  147   1HB   ASP  20          1HB       ASP  20  -2.645   8.078   8.078
  148   2HB   ASP  20          2HB       ASP  20  -2.068   7.024   7.024
  149    H    LYS  21           H        LYS  21  -0.934   4.890   4.890
  150    HA   LYS  21           HA       LYS  21   1.705   4.893   4.893
  151   1HB   LYS  21          1HB       LYS  21   0.051   2.366   2.366
  152   2HB   LYS  21          2HB       LYS  21   1.084   2.686   2.686
  153   1HG   LYS  21          1HG       LYS  21  -0.642   3.709   3.709
  154   2HG   LYS  21          2HG       LYS  21  -1.114   4.702   4.702
  155   1HD   LYS  21          1HD       LYS  21  -2.599   2.654   2.654
  156   2HD   LYS  21          2HD       LYS  21  -2.863   3.279   3.279
  157   1HE   LYS  21          1HE       LYS  21  -1.235   1.570   1.570
  158   2HE   LYS  21          2HE       LYS  21  -0.949   0.921   0.921
  159   1HZ   LYS  21          1HZ       LYS  21  -3.719   1.052   1.052
  160   2HZ   LYS  21          2HZ       LYS  21  -3.074   0.355   0.355
  161   3HZ   LYS  21          3HZ       LYS  21  -2.743  -0.313  -0.313
  162    H    ALA  22           H        ALA  22   0.439   3.809   3.809
  163    HA   ALA  22           HA       ALA  22   3.127   2.595   2.595
  164   1HB   ALA  22          2HB       ALA  22   0.991   1.533   1.533
  165   2HB   ALA  22          3HB       ALA  22   0.551   3.031   3.031
  166   3HB   ALA  22          1HB       ALA  22   1.967   2.087   2.087
  167    H    ARG  23           H        ARG  23   2.648   5.533   5.533
  168    HA   ARG  23           HA       ARG  23   4.171   6.469   6.469
  169   1HB   ARG  23          1HB       ARG  23   2.052   7.694   7.694
  170   2HB   ARG  23          2HB       ARG  23   3.496   8.659   8.659
  171   1HG   ARG  23          1HG       ARG  23   2.581   9.727   9.727
  172   2HG   ARG  23          2HG       ARG  23   3.640   8.568   8.568
  173   1HD   ARG  23          1HD       ARG  23   1.480   6.957   6.957
  174   2HD   ARG  23          2HD       ARG  23   0.596   8.483   8.483
  175    HE   ARG  23           HE       ARG  23   2.606   8.381   8.381
  176   1HH1  ARG  23          2HH2      ARG  23  -0.742   8.432   8.432
  177   2HH1  ARG  23          1HH2      ARG  23  -1.286   8.868   8.868
  178   1HH2  ARG  23          1HH1      ARG  23   1.942   8.849   8.849
  179   2HH2  ARG  23          2HH1      ARG  23   0.168   9.091   9.091
  180    H    GLU  24           H        GLU  24   4.165   6.142   6.142
  181    HA   GLU  24           HA       GLU  24   6.965   7.294   7.294
  182   1HB   GLU  24          1HB       GLU  24   5.323   5.975   5.975
  183   2HB   GLU  24          2HB       GLU  24   6.676   7.063   7.063
  184   1HG   GLU  24          1HG       GLU  24   5.366   9.021   9.021
  185   2HG   GLU  24          2HG       GLU  24   4.178   8.146   8.146
  186    H    LEU  25           H        LEU  25   5.259   4.230   4.230
  187    HA   LEU  25           HA       LEU  25   7.641   2.665   2.665
  188   1HB   LEU  25          1HB       LEU  25   5.601   1.487   1.487
  189   2HB   LEU  25          2HB       LEU  25   4.907   2.037   2.037
  190    HG   LEU  25           HG       LEU  25   7.270   0.181   0.181
  191   1HD1  LEU  25          2HD1      LEU  25   6.091  -0.808  -0.808
  192   2HD1  LEU  25          3HD1      LEU  25   4.553  -0.831  -0.831
  193   3HD1  LEU  25          1HD1      LEU  25   5.914  -1.848  -1.848
  194   1HD2  LEU  25          2HD2      LEU  25   4.480   0.298   0.298
  195   2HD2  LEU  25          3HD2      LEU  25   6.023   0.863   0.863
  196   3HD2  LEU  25          1HD2      LEU  25   5.770  -0.865  -0.865
  197    H    ILE  26           H        ILE  26   6.471   3.927   3.927
  198    HA   ILE  26           HA       ILE  26   8.223   2.243   2.243
  199    HB   ILE  26           HB       ILE  26   6.462   4.629   4.629
  200   1HG1  ILE  26          1HG1      ILE  26   7.045   2.579   2.579
  201   2HG1  ILE  26          2HG1      ILE  26   6.159   2.067   2.067
  202   1HG2  ILE  26          2HG2      ILE  26   8.580   5.694   5.694
  203   2HG2  ILE  26          3HG2      ILE  26   8.840   4.290   4.290
  204   3HG2  ILE  26          1HG2      ILE  26   7.454   5.378   5.378
  205   1HD1  ILE  26          2HD1      ILE  26   4.392   3.832   3.832
  206   2HD1  ILE  26          3HD1      ILE  26   5.203   4.312   4.312
  207   3HD1  ILE  26          1HD1      ILE  26   4.533   2.681   2.681
  208    H    SER  27           H        SER  27   8.685   5.225   5.225
  209    HA   SER  27           HA       SER  27  11.376   5.732   5.732
  210   1HB   SER  27          1HB       SER  27  10.578   7.616   7.616
  211   2HB   SER  27          2HB       SER  27   9.831   6.696   6.696
  212    HG   SER  27           HG       SER  27  12.237   7.853   7.853
  213    H    ARG  28           H        ARG  28  10.126   3.746   3.746
  214    HA   ARG  28           HA       ARG  28  12.809   2.802   2.802
  215   1HB   ARG  28          1HB       ARG  28  11.004   2.520   2.520
  216   2HB   ARG  28          2HB       ARG  28   9.905   1.870   1.870
  217   1HG   ARG  28          1HG       ARG  28  11.890  -0.128  -0.128
  218   2HG   ARG  28          2HG       ARG  28  12.046   0.467   0.467
  219   1HD   ARG  28          1HD       ARG  28   9.917  -0.313  -0.313
  220   2HD   ARG  28          2HD       ARG  28   9.212  -0.034  -0.034
  221    HE   ARG  28           HE       ARG  28  11.035  -2.019  -2.019
  222   1HH1  ARG  28          2HH2      ARG  28   8.711  -1.844  -1.844
  223   2HH1  ARG  28          1HH2      ARG  28   8.552  -3.681  -3.681
  224   1HH2  ARG  28          1HH1      ARG  28  10.812  -3.995  -3.995
  225   2HH2  ARG  28          2HH1      ARG  28   9.687  -4.855  -4.855
  226    H    ILE  29           H        ILE  29  10.699   2.058   2.058
  227    HA   ILE  29           HA       ILE  29  11.777  -0.721  -0.721
  228    HB   ILE  29           HB       ILE  29   9.728   0.989   0.989
  229   1HG1  ILE  29          1HG1      ILE  29   8.342  -0.404  -0.404
  230   2HG1  ILE  29          2HG1      ILE  29   8.745  -1.622  -1.622
  231   1HG2  ILE  29          2HG2      ILE  29  11.106   0.201   0.201
  232   2HG2  ILE  29          3HG2      ILE  29  10.977  -1.483  -1.483
  233   3HG2  ILE  29          1HG2      ILE  29   9.549  -0.586  -0.586
  234   1HD1  ILE  29          2HD1      ILE  29  10.588  -2.549  -2.549
  235   2HD1  ILE  29          3HD1      ILE  29  10.141  -1.401  -1.401
  236   3HD1  ILE  29          1HD1      ILE  29   8.982  -2.633  -2.633
  237    H    LYS  30           H        LYS  30  12.360   2.440   2.440
  238    HA   LYS  30           HA       LYS  30  14.069   1.579   1.579
  239   1HB   LYS  30          1HB       LYS  30  13.560   4.137   4.137
  240   2HB   LYS  30          2HB       LYS  30  15.151   4.052   4.052
  241   1HG   LYS  30          1HG       LYS  30  13.292   5.127   5.127
  242   2HG   LYS  30          2HG       LYS  30  14.227   3.858   3.858
  243   1HD   LYS  30          1HD       LYS  30  12.267   2.255   2.255
  244   2HD   LYS  30          2HD       LYS  30  11.381   3.701   3.701
  245   1HE   LYS  30          1HE       LYS  30  11.550   4.735   4.735
  246   2HE   LYS  30          2HE       LYS  30  12.621   3.448   3.448
  247   1HZ   LYS  30          2HZ       LYS  30  10.610   1.969   1.969
  248   2HZ   LYS  30          3HZ       LYS  30   9.750   3.365   3.365
  249   3HZ   LYS  30          1HZ       LYS  30  10.669   2.604   2.604
  250    H    GLN  31           H        GLN  31  14.676   2.191   2.191
  251    HA   GLN  31           HA       GLN  31  17.614   1.590   1.590
  252   1HB   GLN  31          1HB       GLN  31  16.177   3.286   3.286
  253   2HB   GLN  31          2HB       GLN  31  16.492   1.920   1.920
  254   1HG   GLN  31          1HG       GLN  31  19.066   2.247   2.247
  255   2HG   GLN  31          2HG       GLN  31  18.514   3.848   3.848
  256   1HE2  GLN  31          2HE2      GLN  31  18.027   3.848   3.848
  257   2HE2  GLN  31          1HE2      GLN  31  16.773   3.295   3.295
  258    H    SER  32           H        SER  32  16.068  -0.511  -0.511
  259    HA   SER  32           HA       SER  32  17.546  -2.535  -2.535
  260   1HB   SER  32          1HB       SER  32  14.750  -1.956  -1.956
  261   2HB   SER  32          2HB       SER  32  15.046  -3.662  -3.662
  262    HG   SER  32           HG       SER  32  15.649  -2.423  -2.423
  263    H    GLU  33           H        GLU  33  17.722  -2.094  -2.094
  264    HA   GLU  33           HA       GLU  33  15.930  -4.189  -4.189
  265   1HB   GLU  33          1HB       GLU  33  16.347  -1.311  -1.311
  266   2HB   GLU  33          2HB       GLU  33  16.874  -2.236  -2.236
  267   1HG   GLU  33          1HG       GLU  33  14.232  -3.260  -3.260
  268   2HG   GLU  33          2HG       GLU  33  14.139  -1.518  -1.518
  269    H    LEU  34           H        LEU  34  18.541  -4.433  -4.433
  270    HA   LEU  34           HA       LEU  34  20.699  -4.244  -4.244
  271   1HB   LEU  34          1HB       LEU  34  21.844  -6.047  -6.047
  272   2HB   LEU  34          2HB       LEU  34  21.240  -4.692  -4.692
  273    HG   LEU  34           HG       LEU  34  19.525  -7.206  -7.206
  274   1HD1  LEU  34          2HD1      LEU  34  21.828  -8.014  -8.014
  275   2HD1  LEU  34          3HD1      LEU  34  21.902  -6.866  -6.866
  276   3HD1  LEU  34          1HD1      LEU  34  20.717  -8.195  -8.195
  277   1HD2  LEU  34          2HD2      LEU  34  19.890  -5.105  -5.105
  278   2HD2  LEU  34          3HD2      LEU  34  18.483  -5.282  -5.282
  279   3HD2  LEU  34          1HD2      LEU  34  18.840  -6.545  -6.545
  280    H    SER  35           H        SER  35  18.313  -6.755  -6.755
  281    HA   SER  35           HA       SER  35  18.072  -8.836  -8.836
  282   1HB   SER  35          1HB       SER  35  18.714  -6.862  -6.862
  283   2HB   SER  35          2HB       SER  35  18.515  -8.559  -8.559
  284    HG   SER  35           HG       SER  35  16.438  -8.333  -8.333
  285    H    ALA  36           H        ALA  36  20.538  -8.362  -8.362
  286    HA   ALA  36           HA       ALA  36  22.544  -9.634  -9.634
  287   1HB   ALA  36          2HB       ALA  36  20.991 -11.579 -11.579
  288   2HB   ALA  36          3HB       ALA  36  21.228 -11.387 -11.387
  289   3HB   ALA  36          1HB       ALA  36  22.584 -11.892 -11.892
  290    H    LYS  37           H        LYS  37  22.871  -7.402  -7.402
  291    HA   LYS  37           HA       LYS  37  24.399  -6.273  -6.273
  292   1HB   LYS  37          1HB       LYS  37  25.759  -8.440  -8.440
  293   2HB   LYS  37          2HB       LYS  37  26.044  -8.762  -8.762
  294   1HG   LYS  37          1HG       LYS  37  27.313  -6.744  -6.744
  295   2HG   LYS  37          2HG       LYS  37  26.503  -5.902  -5.902
  296   1HD   LYS  37          1HD       LYS  37  27.794  -7.804  -7.804
  297   2HD   LYS  37          2HD       LYS  37  28.826  -7.881  -7.881
  298   1HE   LYS  37          1HE       LYS  37  28.891  -5.226  -5.226
  299   2HE   LYS  37          2HE       LYS  37  28.261  -5.393  -5.393
  300   1HZ   LYS  37          3HZ       LYS  37  30.485  -7.152  -7.152
  301   2HZ   LYS  37          1HZ       LYS  37  30.841  -5.510  -5.510
  302   3HZ   LYS  37          2HZ       LYS  37  30.168  -6.284  -6.284
  303    H    MET  38           H        MET  38  22.098  -7.387  -7.387
  304    HA   MET  38           HA       MET  38  22.979  -8.442  -8.442
  305   1HB   MET  38          1HB       MET  38  20.938  -9.471  -9.471
  306   2HB   MET  38          2HB       MET  38  20.396  -8.136  -8.136
  307   1HG   MET  38          1HG       MET  38  19.133  -7.205  -7.205
  308   2HG   MET  38          2HG       MET  38  20.450  -7.354  -7.354
  309   1HE   MET  38          3HE       MET  38  17.993  -7.597  -7.597
  310   2HE   MET  38          2HE       MET  38  19.334  -8.354  -8.354
  311   3HE   MET  38          1HE       MET  38  17.769  -9.209  -9.209

  Start of MODEL   21
    1   1H    THR   1          1H        THR   1 -26.319  -7.095  -7.095
    2   2H    THR   1          2H        THR   1 -25.117  -8.180  -8.180
    3   3H    THR   1          3H        THR   1 -26.386  -8.693  -8.693
    4    HA   THR   1           HA       THR   1 -24.770  -8.478  -8.478
    5    HB   THR   1           HB       THR   1 -23.445  -7.091  -7.091
    6    HG1  THR   1           HG1      THR   1 -21.757  -7.019  -7.019
    7   1HG2  THR   1          3HG2      THR   1 -23.702  -5.080  -5.080
    8   2HG2  THR   1          1HG2      THR   1 -22.541  -4.957  -4.957
    9   3HG2  THR   1          2HG2      THR   1 -24.267  -4.791  -4.791
   10    HA   PRO   2           HA       PRO   2 -26.898  -6.035  -6.035
   11   1HB   PRO   2          1HB       PRO   2 -24.170  -4.968  -4.968
   12   2HB   PRO   2          2HB       PRO   2 -25.540  -5.716  -5.716
   13   1HG   PRO   2          1HG       PRO   2 -23.286  -7.189  -7.189
   14   2HG   PRO   2          2HG       PRO   2 -25.056  -7.841  -7.841
   15   1HD   PRO   2          1HD       PRO   2 -23.225  -6.676  -6.676
   16   2HD   PRO   2          2HD       PRO   2 -24.160  -8.267  -8.267
   17    H    ASP   3           H        ASP   3 -26.611  -3.834  -3.834
   18    HA   ASP   3           HA       ASP   3 -27.139  -1.744  -1.744
   19   1HB   ASP   3          1HB       ASP   3 -27.719  -1.881  -1.881
   20   2HB   ASP   3          2HB       ASP   3 -26.154  -1.128  -1.128
   21    H    VAL   4           H        VAL   4 -25.789  -1.316  -1.316
   22    HA   VAL   4           HA       VAL   4 -22.865  -0.929  -0.929
   23    HB   VAL   4           HB       VAL   4 -23.805  -0.500  -0.500
   24   1HG1  VAL   4          1HG2      VAL   4 -21.571  -2.368  -2.368
   25   2HG1  VAL   4          2HG2      VAL   4 -21.934  -2.058  -2.058
   26   3HG1  VAL   4          3HG2      VAL   4 -21.339  -0.752  -0.752
   27   1HG2  VAL   4          2HG1      VAL   4 -25.378  -2.373  -2.373
   28   2HG2  VAL   4          3HG1      VAL   4 -24.205  -2.891  -2.891
   29   3HG2  VAL   4          1HG1      VAL   4 -23.990  -3.374  -3.374
   30    H    SER   5           H        SER   5 -24.966   0.967   0.967
   31    HA   SER   5           HA       SER   5 -23.934   3.388   3.388
   32   1HB   SER   5          1HB       SER   5 -26.578   2.708   2.708
   33   2HB   SER   5          2HB       SER   5 -26.060   4.081   4.081
   34    HG   SER   5           HG       SER   5 -27.077   4.225   4.225
   35    H    SER   6           H        SER   6 -24.260   1.945   1.945
   36    HA   SER   6           HA       SER   6 -21.975   3.808   3.808
   37   1HB   SER   6          1HB       SER   6 -23.006   3.357   3.357
   38   2HB   SER   6          2HB       SER   6 -23.566   4.705   4.705
   39    HG   SER   6           HG       SER   6 -24.780   2.135   2.135
   40    H    ALA   7           H        ALA   7 -21.680   1.417   1.417
   41    HA   ALA   7           HA       ALA   7 -20.941  -0.548  -0.548
   42   1HB   ALA   7          2HB       ALA   7 -21.984  -1.389  -1.389
   43   2HB   ALA   7          3HB       ALA   7 -20.651  -0.688  -0.688
   44   3HB   ALA   7          1HB       ALA   7 -20.343  -2.042  -2.042
   45    H    LEU   8           H        LEU   8 -19.507   1.831   1.831
   46    HA   LEU   8           HA       LEU   8 -16.706   1.032   1.032
   47   1HB   LEU   8          1HB       LEU   8 -17.307   2.393   2.393
   48   2HB   LEU   8          2HB       LEU   8 -17.787   3.726   3.726
   49    HG   LEU   8           HG       LEU   8 -15.472   3.842   3.842
   50   1HD1  LEU   8          2HD1      LEU   8 -16.208   5.411   5.411
   51   2HD1  LEU   8          3HD1      LEU   8 -15.624   4.279   4.279
   52   3HD1  LEU   8          1HD1      LEU   8 -14.475   5.059   5.059
   53   1HD2  LEU   8          2HD2      LEU   8 -14.716   1.872   1.872
   54   2HD2  LEU   8          3HD2      LEU   8 -14.575   1.586   1.586
   55   3HD2  LEU   8          1HD2      LEU   8 -13.547   2.799   2.799
   56    H    ASP   9           H        ASP   9 -19.208   3.114   3.114
   57    HA   ASP   9           HA       ASP   9 -17.733   4.447   4.447
   58   1HB   ASP   9          1HB       ASP   9 -20.208   4.834   4.834
   59   2HB   ASP   9          2HB       ASP   9 -20.567   3.200   3.200
   60    H    LYS  10           H        LYS  10 -18.726   1.124   1.124
   61    HA   LYS  10           HA       LYS  10 -18.080   0.490   0.490
   62   1HB   LYS  10          1HB       LYS  10 -19.444  -0.868  -0.868
   63   2HB   LYS  10          2HB       LYS  10 -17.871  -1.555  -1.555
   64   1HG   LYS  10          1HG       LYS  10 -17.873  -1.932  -1.932
   65   2HG   LYS  10          2HG       LYS  10 -19.611  -1.936  -1.936
   66   1HD   LYS  10          1HD       LYS  10 -18.726  -3.684  -3.684
   67   2HD   LYS  10          2HD       LYS  10 -17.457  -3.913  -3.913
   68   1HE   LYS  10          1HE       LYS  10 -19.840  -3.834  -3.834
   69   2HE   LYS  10          2HE       LYS  10 -20.348  -4.735  -4.735
   70   1HZ   LYS  10          2HZ       LYS  10 -17.973  -5.849  -5.849
   71   2HZ   LYS  10          3HZ       LYS  10 -18.353  -5.438  -5.438
   72   3HZ   LYS  10          1HZ       LYS  10 -19.394  -6.416  -6.416
   73    H    LEU  11           H        LEU  11 -16.291   0.484   0.484
   74    HA   LEU  11           HA       LEU  11 -13.992  -0.953  -0.953
   75   1HB   LEU  11          1HB       LEU  11 -14.683   0.189   0.189
   76   2HB   LEU  11          2HB       LEU  11 -12.973   0.065   0.065
   77    HG   LEU  11           HG       LEU  11 -13.448  -1.961  -1.961
   78   1HD1  LEU  11          2HD1      LEU  11 -12.169  -2.368  -2.368
   79   2HD1  LEU  11          3HD1      LEU  11 -13.686  -2.679  -2.679
   80   3HD1  LEU  11          1HD1      LEU  11 -13.166  -3.771  -3.771
   81   1HD2  LEU  11          2HD2      LEU  11 -16.027  -2.271  -2.271
   82   2HD2  LEU  11          3HD2      LEU  11 -15.928  -1.881  -1.881
   83   3HD2  LEU  11          1HD2      LEU  11 -15.414  -3.473  -3.473
   84    H    LYS  12           H        LYS  12 -14.889   2.358   2.358
   85    HA   LYS  12           HA       LYS  12 -12.301   3.577   3.577
   86   1HB   LYS  12          1HB       LYS  12 -14.756   4.654   4.654
   87   2HB   LYS  12          2HB       LYS  12 -14.650   4.416   4.416
   88   1HG   LYS  12          1HG       LYS  12 -13.611   6.488   6.488
   89   2HG   LYS  12          2HG       LYS  12 -12.172   5.654   5.654
   90   1HD   LYS  12          1HD       LYS  12 -12.816   6.258   6.258
   91   2HD   LYS  12          2HD       LYS  12 -14.333   6.972   6.972
   92   1HE   LYS  12          1HE       LYS  12 -12.116   8.079   8.079
   93   2HE   LYS  12          2HE       LYS  12 -11.711   8.266   8.266
   94   1HZ   LYS  12          2HZ       LYS  12 -14.478   8.846   8.846
   95   2HZ   LYS  12          3HZ       LYS  12 -13.399   9.857   9.857
   96   3HZ   LYS  12          1HZ       LYS  12 -13.343   9.727   9.727
   97    H    GLU  13           H        GLU  13 -11.211   4.234   4.234
   98    HA   GLU  13           HA       GLU  13 -10.007   3.393   3.393
   99   1HB   GLU  13          1HB       GLU  13 -12.690   1.947   1.947
  100   2HB   GLU  13          2HB       GLU  13 -11.340   1.553   1.553
  101   1HG   GLU  13          1HG       GLU  13 -11.453   3.598   3.598
  102   2HG   GLU  13          2HG       GLU  13 -11.982   4.527   4.527
  103    H    PHE  14           H        PHE  14 -11.788   0.401   0.401
  104    HA   PHE  14           HA       PHE  14  -9.616  -1.363  -1.363
  105   1HB   PHE  14          1HB       PHE  14 -12.024  -2.067  -2.067
  106   2HB   PHE  14          2HB       PHE  14 -12.005  -1.482  -1.482
  107    HD1  PHE  14           HD2      PHE  14 -10.405  -4.055  -4.055
  108    HD2  PHE  14           HD1      PHE  14 -11.320  -2.897  -2.897
  109    HE1  PHE  14           HE2      PHE  14  -9.526  -6.206  -6.206
  110    HE2  PHE  14           HE1      PHE  14 -10.438  -5.045  -5.045
  111    HZ   PHE  14           HZ       PHE  14  -9.533  -6.703  -6.703
  112    H    GLY  15           H        GLY  15  -9.856   1.030   1.030
  113   1HA   GLY  15          1HA       GLY  15  -7.862  -0.544  -0.544
  114   2HA   GLY  15          2HA       GLY  15  -8.608   1.005   1.005
  115    H    ASN  16           H        ASN  16  -8.235   2.465   2.465
  116    HA   ASN  16           HA       ASN  16  -5.594   3.528   3.528
  117   1HB   ASN  16          1HB       ASN  16  -7.304   4.844   4.844
  118   2HB   ASN  16          2HB       ASN  16  -7.522   3.631   3.631
  119   1HD2  ASN  16          1HD2      ASN  16  -5.384   5.577   5.577
  120   2HD2  ASN  16          2HD2      ASN  16  -7.012   4.732   4.732
  121    H    THR  17           H        THR  17  -6.626   0.873   0.873
  122    HA   THR  17           HA       THR  17  -4.343   0.891   0.891
  123    HB   THR  17           HB       THR  17  -6.130  -1.446  -1.446
  124    HG1  THR  17           HG1      THR  17  -7.108  -1.083  -1.083
  125   1HG2  THR  17          3HG2      THR  17  -4.293  -1.406  -1.406
  126   2HG2  THR  17          1HG2      THR  17  -5.498  -2.662  -2.662
  127   3HG2  THR  17          2HG2      THR  17  -4.081  -2.470  -2.470
  128    H    LEU  18           H        LEU  18  -4.859  -0.665  -0.665
  129    HA   LEU  18           HA       LEU  18  -2.258  -2.061  -2.061
  130   1HB   LEU  18          1HB       LEU  18  -3.533  -1.095  -1.095
  131   2HB   LEU  18          2HB       LEU  18  -2.695  -2.601  -2.601
  132    HG   LEU  18           HG       LEU  18  -5.563  -1.868  -1.868
  133   1HD1  LEU  18          2HD1      LEU  18  -5.231  -2.509  -2.509
  134   2HD1  LEU  18          3HD1      LEU  18  -4.457  -4.036  -4.036
  135   3HD1  LEU  18          1HD1      LEU  18  -6.173  -3.741  -3.741
  136   1HD2  LEU  18          2HD2      LEU  18  -3.990  -4.447  -4.447
  137   2HD2  LEU  18          3HD2      LEU  18  -4.640  -3.247  -3.247
  138   3HD2  LEU  18          1HD2      LEU  18  -5.753  -4.238  -4.238
  139    H    GLU  19           H        GLU  19  -3.256   1.161   1.161
  140    HA   GLU  19           HA       GLU  19  -0.474   1.749   1.749
  141   1HB   GLU  19          1HB       GLU  19  -2.827   2.565   2.565
  142   2HB   GLU  19          2HB       GLU  19  -2.820   3.717   3.717
  143   1HG   GLU  19          1HG       GLU  19  -0.383   4.402   4.402
  144   2HG   GLU  19          2HG       GLU  19  -1.018   3.648   3.648
  145    H    ASP  20           H        ASP  20  -0.990   1.079   1.079
  146    HA   ASP  20           HA       ASP  20   0.498   3.526   3.526
  147   1HB   ASP  20          1HB       ASP  20  -2.033   3.412   3.412
  148   2HB   ASP  20          2HB       ASP  20  -1.573   1.998   1.998
  149    H    LYS  21           H        LYS  21  -0.274   0.122   0.122
  150    HA   LYS  21           HA       LYS  21   2.202  -0.261  -0.261
  151   1HB   LYS  21          1HB       LYS  21   0.908  -2.654  -2.654
  152   2HB   LYS  21          2HB       LYS  21   1.457  -2.476  -2.476
  153   1HG   LYS  21          1HG       LYS  21  -0.650  -1.802  -1.802
  154   2HG   LYS  21          2HG       LYS  21  -0.866  -0.675  -0.675
  155   1HD   LYS  21          1HD       LYS  21  -2.107  -3.228  -3.228
  156   2HD   LYS  21          2HD       LYS  21  -2.359  -2.143  -2.143
  157   1HE   LYS  21          1HE       LYS  21  -0.975  -3.375  -3.375
  158   2HE   LYS  21          2HE       LYS  21   0.239  -3.678  -3.678
  159   1HZ   LYS  21          3HZ       LYS  21  -1.724  -5.131  -5.131
  160   2HZ   LYS  21          1HZ       LYS  21  -2.169  -5.205  -5.205
  161   3HZ   LYS  21          2HZ       LYS  21  -0.645  -5.730  -5.730
  162    H    ALA  22           H        ALA  22   1.279  -0.475  -0.475
  163    HA   ALA  22           HA       ALA  22   3.987  -1.569  -1.569
  164   1HB   ALA  22          2HB       ALA  22   1.925  -2.113  -2.113
  165   2HB   ALA  22          3HB       ALA  22   1.681  -0.388  -0.388
  166   3HB   ALA  22          1HB       ALA  22   3.102  -1.247  -1.247
  167    H    ARG  23           H        ARG  23   2.348   1.499   1.499
  168    HA   ARG  23           HA       ARG  23   4.552   3.044   3.044
  169   1HB   ARG  23          1HB       ARG  23   2.567   4.303   4.303
  170   2HB   ARG  23          2HB       ARG  23   1.988   3.586   3.586
  171   1HG   ARG  23          1HG       ARG  23   4.282   5.692   5.692
  172   2HG   ARG  23          2HG       ARG  23   2.581   6.136   6.136
  173   1HD   ARG  23          1HD       ARG  23   2.835   4.192   4.192
  174   2HD   ARG  23          2HD       ARG  23   4.414   5.014   5.014
  175    HE   ARG  23           HE       ARG  23   2.099   6.876   6.876
  176   1HH1  ARG  23          2HH2      ARG  23   4.132   5.232   5.232
  177   2HH1  ARG  23          1HH2      ARG  23   3.735   6.437   6.437
  178   1HH2  ARG  23          1HH1      ARG  23   1.723   8.142   8.142
  179   2HH2  ARG  23          2HH1      ARG  23   2.426   8.021   8.021
  180    H    GLU  24           H        GLU  24   3.906   1.791   1.791
  181    HA   GLU  24           HA       GLU  24   6.111   3.445   3.445
  182   1HB   GLU  24          1HB       GLU  24   4.111   2.874   2.874
  183   2HB   GLU  24          2HB       GLU  24   4.349   1.164   1.164
  184   1HG   GLU  24          1HG       GLU  24   6.571   1.272   1.272
  185   2HG   GLU  24          2HG       GLU  24   6.475   2.999   2.999
  186    H    LEU  25           H        LEU  25   5.586   0.023   0.023
  187    HA   LEU  25           HA       LEU  25   8.339  -0.786  -0.786
  188   1HB   LEU  25          1HB       LEU  25   7.247  -2.758  -2.758
  189   2HB   LEU  25          2HB       LEU  25   5.950  -1.953  -1.953
  190    HG   LEU  25           HG       LEU  25   8.602  -2.616  -2.616
  191   1HD1  LEU  25          2HD1      LEU  25   7.715  -4.730  -4.730
  192   2HD1  LEU  25          3HD1      LEU  25   6.131  -4.466  -4.466
  193   3HD1  LEU  25          1HD1      LEU  25   7.573  -4.775  -4.775
  194   1HD2  LEU  25          2HD2      LEU  25   5.728  -2.166  -2.166
  195   2HD2  LEU  25          3HD2      LEU  25   7.128  -1.084  -1.084
  196   3HD2  LEU  25          1HD2      LEU  25   7.127  -2.667  -2.667
  197    H    ILE  26           H        ILE  26   6.993   0.962   0.962
  198    HA   ILE  26           HA       ILE  26   9.399   0.674   0.674
  199    HB   ILE  26           HB       ILE  26   6.940   2.409   2.409
  200   1HG1  ILE  26          1HG1      ILE  26   8.333   1.556   1.556
  201   2HG1  ILE  26          2HG1      ILE  26   7.598   0.317   0.317
  202   1HG2  ILE  26          2HG2      ILE  26   8.658   4.277   4.277
  203   2HG2  ILE  26          3HG2      ILE  26   9.457   3.477   3.477
  204   3HG2  ILE  26          1HG2      ILE  26   7.815   4.140   4.140
  205   1HD1  ILE  26          2HD1      ILE  26   5.353   1.463   1.463
  206   2HD1  ILE  26          3HD1      ILE  26   6.031   2.687   2.687
  207   3HD1  ILE  26          1HD1      ILE  26   5.965   0.989   0.989
  208    H    SER  27           H        SER  27   8.455   2.901   2.901
  209    HA   SER  27           HA       SER  27  10.935   4.461   4.461
  210   1HB   SER  27          1HB       SER  27   9.231   5.411   5.411
  211   2HB   SER  27          2HB       SER  27   8.870   3.910   3.910
  212    HG   SER  27           HG       SER  27  10.566   5.862   5.862
  213    H    ARG  28           H        ARG  28  10.129   1.351   1.351
  214    HA   ARG  28           HA       ARG  28  12.822   0.969   0.969
  215   1HB   ARG  28          1HB       ARG  28  11.075  -0.402  -0.402
  216   2HB   ARG  28          2HB       ARG  28  10.376  -0.768  -0.768
  217   1HG   ARG  28          1HG       ARG  28  13.120  -1.900  -1.900
  218   2HG   ARG  28          2HG       ARG  28  12.258  -2.351  -2.351
  219   1HD   ARG  28          1HD       ARG  28  10.277  -2.871  -2.871
  220   2HD   ARG  28          2HD       ARG  28  11.725  -3.121  -3.121
  221    HE   ARG  28           HE       ARG  28  12.332  -5.006  -5.006
  222   1HH1  ARG  28          2HH2      ARG  28   9.800  -3.298  -3.298
  223   2HH1  ARG  28          1HH2      ARG  28   9.564  -4.663  -4.663
  224   1HH2  ARG  28          1HH1      ARG  28  12.020  -6.441  -6.441
  225   2HH2  ARG  28          2HH1      ARG  28  10.768  -6.375  -6.375
  226    H    ILE  29           H        ILE  29  11.458   0.667   0.667
  227    HA   ILE  29           HA       ILE  29  13.427  -1.334  -1.334
  228    HB   ILE  29           HB       ILE  29  11.327   0.435   0.435
  229   1HG1  ILE  29          1HG1      ILE  29  11.628  -2.279  -2.279
  230   2HG1  ILE  29          2HG1      ILE  29  11.507  -2.360  -2.360
  231   1HG2  ILE  29          2HG2      ILE  29  13.284   0.888   0.888
  232   2HG2  ILE  29          3HG2      ILE  29  13.556  -0.862  -0.862
  233   3HG2  ILE  29          1HG2      ILE  29  12.083  -0.086  -0.086
  234   1HD1  ILE  29          2HD1      ILE  29   9.357  -1.044  -1.044
  235   2HD1  ILE  29          3HD1      ILE  29   9.380  -1.032  -1.032
  236   3HD1  ILE  29          1HD1      ILE  29   9.255  -2.569  -2.569
  237    H    LYS  30           H        LYS  30  13.189   2.148   2.148
  238    HA   LYS  30           HA       LYS  30  15.769   2.660   2.660
  239   1HB   LYS  30          1HB       LYS  30  13.985   4.193   4.193
  240   2HB   LYS  30          2HB       LYS  30  15.614   4.793   4.793
  241   1HG   LYS  30          1HG       LYS  30  14.433   5.989   5.989
  242   2HG   LYS  30          2HG       LYS  30  14.960   4.596   4.596
  243   1HD   LYS  30          1HD       LYS  30  12.679   3.564   3.564
  244   2HD   LYS  30          2HD       LYS  30  12.203   4.923   4.923
  245   1HE   LYS  30          1HE       LYS  30  11.371   5.460   5.460
  246   2HE   LYS  30          2HE       LYS  30  12.737   6.546   6.546
  247   1HZ   LYS  30          1HZ       LYS  30  14.123   4.653   4.653
  248   2HZ   LYS  30          2HZ       LYS  30  12.656   4.137   4.137
  249   3HZ   LYS  30          3HZ       LYS  30  13.231   5.678   5.678
  250    H    GLN  31           H        GLN  31  14.842   1.817   1.817
  251    HA   GLN  31           HA       GLN  31  17.732   1.805   1.805
  252   1HB   GLN  31          1HB       GLN  31  15.294   2.149   2.149
  253   2HB   GLN  31          2HB       GLN  31  15.588   0.443   0.443
  254   1HG   GLN  31          1HG       GLN  31  18.073   1.489   1.489
  255   2HG   GLN  31          2HG       GLN  31  17.082   2.897   2.897
  256   1HE2  GLN  31          2HE2      GLN  31  15.724   1.390   1.390
  257   2HE2  GLN  31          1HE2      GLN  31  15.508   2.717   2.717
  258    H    SER  32           H        SER  32  17.577   0.308   0.308
  259    HA   SER  32           HA       SER  32  18.673  -2.216  -2.216
  260   1HB   SER  32          1HB       SER  32  16.134  -2.631  -2.631
  261   2HB   SER  32          2HB       SER  32  15.988  -2.573  -2.573
  262    HG   SER  32           HG       SER  32  16.418  -4.677  -4.677
  263    H    GLU  33           H        GLU  33  19.674  -0.255  -0.255
  264    HA   GLU  33           HA       GLU  33  19.843  -1.685  -1.685
  265   1HB   GLU  33          1HB       GLU  33  18.809   1.020   1.020
  266   2HB   GLU  33          2HB       GLU  33  20.195   1.187   1.187
  267   1HG   GLU  33          1HG       GLU  33  18.487  -0.870  -0.870
  268   2HG   GLU  33          2HG       GLU  33  17.416   0.407   0.407
  269    H    LEU  34           H        LEU  34  21.527  -1.273  -1.273
  270    HA   LEU  34           HA       LEU  34  24.072  -0.277  -0.277
  271   1HB   LEU  34          1HB       LEU  34  24.810  -1.992  -1.992
  272   2HB   LEU  34          2HB       LEU  34  24.479  -0.279  -0.279
  273    HG   LEU  34           HG       LEU  34  23.393  -1.801  -1.801
  274   1HD1  LEU  34          2HD1      LEU  34  22.613   0.556   0.556
  275   2HD1  LEU  34          3HD1      LEU  34  21.502   0.019   0.019
  276   3HD1  LEU  34          1HD1      LEU  34  21.234  -0.482  -0.482
  277   1HD2  LEU  34          2HD2      LEU  34  21.514  -2.626  -2.626
  278   2HD2  LEU  34          3HD2      LEU  34  22.560  -3.678  -3.678
  279   3HD2  LEU  34          1HD2      LEU  34  21.170  -2.884  -2.884
  280    H    SER  35           H        SER  35  23.581  -3.459  -3.459
  281    HA   SER  35           HA       SER  35  24.308  -5.582  -5.582
  282   1HB   SER  35          1HB       SER  35  25.419  -4.544  -4.544
  283   2HB   SER  35          2HB       SER  35  24.783  -6.140  -6.140
  284    HG   SER  35           HG       SER  35  23.206  -5.152  -5.152
  285    H    ALA  36           H        ALA  36  25.609  -3.548  -3.548
  286    HA   ALA  36           HA       ALA  36  27.762  -2.957  -2.957
  287   1HB   ALA  36          2HB       ALA  36  27.525  -5.356  -5.356
  288   2HB   ALA  36          3HB       ALA  36  28.256  -5.945  -5.945
  289   3HB   ALA  36          1HB       ALA  36  29.226  -5.001  -5.001
  290    H    LYS  37           H        LYS  37  27.646  -1.693  -1.693
  291    HA   LYS  37           HA       LYS  37  29.051  -0.615  -0.615
  292   1HB   LYS  37          1HB       LYS  37  31.527  -2.200  -2.200
  293   2HB   LYS  37          2HB       LYS  37  31.302  -0.456  -0.456
  294   1HG   LYS  37          1HG       LYS  37  29.733  -1.276  -1.276
  295   2HG   LYS  37          2HG       LYS  37  31.133  -2.344  -2.344
  296   1HD   LYS  37          1HD       LYS  37  31.441  -0.281  -0.281
  297   2HD   LYS  37          2HD       LYS  37  32.639  -0.337  -0.337
  298   1HE   LYS  37          1HE       LYS  37  31.370   1.247   1.247
  299   2HE   LYS  37          2HE       LYS  37  29.934   1.136   1.136
  300   1HZ   LYS  37          3HZ       LYS  37  32.497   1.991   1.991
  301   2HZ   LYS  37          1HZ       LYS  37  31.561   3.083   3.083
  302   3HZ   LYS  37          2HZ       LYS  37  30.925   2.332   2.332
  303    H    MET  38           H        MET  38  27.699  -3.148  -3.148
  304    HA   MET  38           HA       MET  38  29.462  -4.213  -4.213
  305   1HB   MET  38          1HB       MET  38  28.109  -5.981  -5.981
  306   2HB   MET  38          2HB       MET  38  26.832  -4.920  -4.920
  307   1HG   MET  38          1HG       MET  38  25.579  -5.168  -5.168
  308   2HG   MET  38          2HG       MET  38  26.990  -4.936  -4.936
  309   1HE   MET  38          2HE       MET  38  25.980  -6.464  -6.464
  310   2HE   MET  38          1HE       MET  38  25.926  -8.251  -8.251
  311   3HE   MET  38          3HE       MET  38  24.655  -7.266  -7.266

  Start of MODEL   22
    1   1H    THR   1          1H        THR   1 -18.033 -10.357 -10.357
    2   2H    THR   1          2H        THR   1 -17.253  -8.900  -8.900
    3   3H    THR   1          3H        THR   1 -16.392 -10.195 -10.195
    4    HA   THR   1           HA       THR   1 -17.235 -10.000 -10.000
    5    HB   THR   1           HB       THR   1 -17.622  -7.066  -7.066
    6    HG1  THR   1           HG1      THR   1 -15.394  -6.866  -6.866
    7   1HG2  THR   1          3HG2      THR   1 -15.794  -8.394  -8.394
    8   2HG2  THR   1          1HG2      THR   1 -15.998  -6.641  -6.641
    9   3HG2  THR   1          2HG2      THR   1 -17.355  -7.607  -7.607
   10    HA   PRO   2           HA       PRO   2 -21.614  -9.829  -9.829
   11   1HB   PRO   2          1HB       PRO   2 -20.776  -8.191  -8.191
   12   2HB   PRO   2          2HB       PRO   2 -21.884  -9.719  -9.719
   13   1HG   PRO   2          1HG       PRO   2 -19.202  -9.847  -9.847
   14   2HG   PRO   2          2HG       PRO   2 -20.082 -11.113 -11.113
   15   1HD   PRO   2          1HD       PRO   2 -18.245  -8.663  -8.663
   16   2HD   PRO   2          2HD       PRO   2 -18.040 -10.390 -10.390
   17    H    ASP   3           H        ASP   3 -23.009  -8.032  -8.032
   18    HA   ASP   3           HA       ASP   3 -23.528  -5.885  -5.885
   19   1HB   ASP   3          1HB       ASP   3 -24.903  -6.728  -6.728
   20   2HB   ASP   3          2HB       ASP   3 -23.950  -5.537  -5.537
   21    H    VAL   4           H        VAL   4 -21.957  -4.807  -4.807
   22    HA   VAL   4           HA       VAL   4 -19.685  -3.915  -3.915
   23    HB   VAL   4           HB       VAL   4 -19.923  -4.614  -4.614
   24   1HG1  VAL   4          1HG2      VAL   4 -19.626  -1.530  -1.530
   25   2HG1  VAL   4          2HG2      VAL   4 -19.331  -2.656  -2.656
   26   3HG1  VAL   4          3HG2      VAL   4 -20.953  -2.484  -2.484
   27   1HG2  VAL   4          2HG1      VAL   4 -17.736  -4.553  -4.553
   28   2HG2  VAL   4          3HG1      VAL   4 -17.573  -3.891  -3.891
   29   3HG2  VAL   4          1HG1      VAL   4 -17.647  -2.791  -2.791
   30    H    SER   5           H        SER   5 -22.709  -2.675  -2.675
   31    HA   SER   5           HA       SER   5 -22.076   0.180   0.180
   32   1HB   SER   5          1HB       SER   5 -24.436  -1.438  -1.438
   33   2HB   SER   5          2HB       SER   5 -24.355   0.290   0.290
   34    HG   SER   5           HG       SER   5 -23.846  -0.009  -0.009
   35    H    SER   6           H        SER   6 -22.531  -2.117  -2.117
   36    HA   SER   6           HA       SER   6 -20.960  -0.176  -0.176
   37   1HB   SER   6          1HB       SER   6 -21.605  -2.287  -2.287
   38   2HB   SER   6          2HB       SER   6 -22.578  -0.834  -0.834
   39    HG   SER   6           HG       SER   6 -22.907  -3.194  -3.194
   40    H    ALA   7           H        ALA   7 -19.763  -1.420  -1.420
   41    HA   ALA   7           HA       ALA   7 -17.926  -3.471  -3.471
   42   1HB   ALA   7          2HB       ALA   7 -18.509  -3.573  -3.573
   43   2HB   ALA   7          3HB       ALA   7 -17.806  -1.958  -1.958
   44   3HB   ALA   7          1HB       ALA   7 -16.763  -3.328  -3.328
   45    H    LEU   8           H        LEU   8 -15.839  -3.230  -3.230
   46    HA   LEU   8           HA       LEU   8 -14.533  -2.079  -2.079
   47   1HB   LEU   8          1HB       LEU   8 -13.398  -2.070  -2.070
   48   2HB   LEU   8          2HB       LEU   8 -14.321  -0.715  -0.715
   49    HG   LEU   8           HG       LEU   8 -11.750  -0.421  -0.421
   50   1HD1  LEU   8          2HD1      LEU   8 -13.228   1.405   1.405
   51   2HD1  LEU   8          3HD1      LEU   8 -13.890   1.690   1.690
   52   3HD1  LEU   8          1HD1      LEU   8 -12.173   2.013   2.013
   53   1HD2  LEU   8          2HD2      LEU   8 -13.150   0.018   0.018
   54   2HD2  LEU   8          3HD2      LEU   8 -11.894  -1.187  -1.187
   55   3HD2  LEU   8          1HD2      LEU   8 -11.485   0.532   0.532
   56    H    ASP   9           H        ASP   9 -17.249  -1.254  -1.254
   57    HA   ASP   9           HA       ASP   9 -17.033   1.629   1.629
   58   1HB   ASP   9          1HB       ASP   9 -19.213   1.187   1.187
   59   2HB   ASP   9          2HB       ASP   9 -19.287  -0.423  -0.423
   60    H    LYS  10           H        LYS  10 -17.475  -1.547  -1.547
   61    HA   LYS  10           HA       LYS  10 -17.747  -0.877  -0.877
   62   1HB   LYS  10          1HB       LYS  10 -16.365  -3.014  -3.014
   63   2HB   LYS  10          2HB       LYS  10 -17.721  -3.226  -3.226
   64   1HG   LYS  10          1HG       LYS  10 -15.855  -2.744  -2.744
   65   2HG   LYS  10          2HG       LYS  10 -14.714  -3.158  -3.158
   66   1HD   LYS  10          1HD       LYS  10 -17.007  -5.088  -5.088
   67   2HD   LYS  10          2HD       LYS  10 -15.946  -4.914  -4.914
   68   1HE   LYS  10          1HE       LYS  10 -13.919  -5.446  -5.446
   69   2HE   LYS  10          2HE       LYS  10 -14.808  -5.373  -5.373
   70   1HZ   LYS  10          1HZ       LYS  10 -15.831  -7.203  -7.203
   71   2HZ   LYS  10          2HZ       LYS  10 -14.411  -7.628  -7.628
   72   3HZ   LYS  10          3HZ       LYS  10 -15.817  -7.353  -7.353
   73    H    LEU  11           H        LEU  11 -14.720  -1.013  -1.013
   74    HA   LEU  11           HA       LEU  11 -13.130  -0.065  -0.065
   75   1HB   LEU  11          1HB       LEU  11 -12.513  -0.183  -0.183
   76   2HB   LEU  11          2HB       LEU  11 -11.354   0.408   0.408
   77    HG   LEU  11           HG       LEU  11 -12.518  -2.442  -2.442
   78   1HD1  LEU  11          2HD1      LEU  11 -11.003  -1.941  -1.941
   79   2HD1  LEU  11          3HD1      LEU  11  -9.721  -1.401  -1.401
   80   3HD1  LEU  11          1HD1      LEU  11 -10.249  -3.101  -3.101
   81   1HD2  LEU  11          2HD2      LEU  11 -10.285  -1.256  -1.256
   82   2HD2  LEU  11          3HD2      LEU  11 -11.867  -1.877  -1.877
   83   3HD2  LEU  11          1HD2      LEU  11 -10.672  -2.994  -2.994
   84    H    LYS  12           H        LYS  12 -12.973   1.660   1.660
   85    HA   LYS  12           HA       LYS  12 -12.230   3.989   3.989
   86   1HB   LYS  12          1HB       LYS  12 -15.236   3.577   3.577
   87   2HB   LYS  12          2HB       LYS  12 -14.683   5.239   5.239
   88   1HG   LYS  12          1HG       LYS  12 -13.309   3.954   3.954
   89   2HG   LYS  12          2HG       LYS  12 -15.042   3.664   3.664
   90   1HD   LYS  12          1HD       LYS  12 -15.369   5.828   5.828
   91   2HD   LYS  12          2HD       LYS  12 -14.498   6.485   6.485
   92   1HE   LYS  12          1HE       LYS  12 -12.603   6.872   6.872
   93   2HE   LYS  12          2HE       LYS  12 -12.526   5.176   5.176
   94   1HZ   LYS  12          2HZ       LYS  12 -14.565   5.973   5.973
   95   2HZ   LYS  12          3HZ       LYS  12 -13.756   7.442   7.442
   96   3HZ   LYS  12          1HZ       LYS  12 -12.963   6.098   6.098
   97    H    GLU  13           H        GLU  13 -11.050   3.601   3.601
   98    HA   GLU  13           HA       GLU  13 -11.284   5.709   5.709
   99   1HB   GLU  13          1HB       GLU  13 -13.721   4.633   4.633
  100   2HB   GLU  13          2HB       GLU  13 -12.941   3.388   3.388
  101   1HG   GLU  13          1HG       GLU  13 -14.060   5.295   5.295
  102   2HG   GLU  13          2HG       GLU  13 -12.428   4.911   4.911
  103    H    PHE  14           H        PHE  14 -11.674   2.472   2.472
  104    HA   PHE  14           HA       PHE  14  -9.141   2.140   2.140
  105   1HB   PHE  14          1HB       PHE  14 -10.806   0.375   0.375
  106   2HB   PHE  14          2HB       PHE  14 -10.943   0.130   0.130
  107    HD1  PHE  14           HD1      PHE  14  -8.600  -0.342  -0.342
  108    HD2  PHE  14           HD2      PHE  14  -9.566  -1.539  -1.539
  109    HE1  PHE  14           HE1      PHE  14  -6.935  -2.146  -2.146
  110    HE2  PHE  14           HE2      PHE  14  -7.916  -3.364  -3.364
  111    HZ   PHE  14           HZ       PHE  14  -6.589  -3.664  -3.664
  112    H    GLY  15           H        GLY  15  -9.526   2.440   2.440
  113   1HA   GLY  15          1HA       GLY  15  -6.781   1.257   1.257
  114   2HA   GLY  15          2HA       GLY  15  -7.811   2.052   2.052
  115    H    ASN  16           H        ASN  16  -8.377   4.420   4.420
  116    HA   ASN  16           HA       ASN  16  -6.154   6.073   6.073
  117   1HB   ASN  16          1HB       ASN  16  -8.136   7.324   7.324
  118   2HB   ASN  16          2HB       ASN  16  -8.653   6.421   6.421
  119   1HD2  ASN  16          1HD2      ASN  16  -7.847   9.382   9.382
  120   2HD2  ASN  16          2HD2      ASN  16  -9.138   8.157   8.157
  121    H    THR  17           H        THR  17  -6.882   4.587   4.587
  122    HA   THR  17           HA       THR  17  -4.822   6.160   6.160
  123    HB   THR  17           HB       THR  17  -6.188   3.495   3.495
  124    HG1  THR  17           HG1      THR  17  -7.524   4.857   4.857
  125   1HG2  THR  17          3HG2      THR  17  -4.815   5.556   5.556
  126   2HG2  THR  17          1HG2      THR  17  -5.755   4.140   4.140
  127   3HG2  THR  17          2HG2      THR  17  -4.227   3.906   3.906
  128    H    LEU  18           H        LEU  18  -4.896   3.080   3.080
  129    HA   LEU  18           HA       LEU  18  -2.187   2.282   2.282
  130   1HB   LEU  18          1HB       LEU  18  -2.521   0.388   0.388
  131   2HB   LEU  18          2HB       LEU  18  -4.191   0.914   0.914
  132    HG   LEU  18           HG       LEU  18  -3.411   2.233   2.233
  133   1HD1  LEU  18          3HD2      LEU  18  -1.105   1.086   1.086
  134   2HD1  LEU  18          1HD2      LEU  18  -1.909  -0.472  -0.472
  135   3HD1  LEU  18          2HD2      LEU  18  -2.007   0.763   0.763
  136   1HD2  LEU  18          2HD1      LEU  18  -5.439   0.744   0.744
  137   2HD2  LEU  18          3HD1      LEU  18  -4.671   0.445   0.445
  138   3HD2  LEU  18          1HD1      LEU  18  -4.416  -0.686  -0.686
  139    H    GLU  19           H        GLU  19  -3.328   4.507   4.507
  140    HA   GLU  19           HA       GLU  19  -0.519   4.726   4.726
  141   1HB   GLU  19          1HB       GLU  19  -2.851   4.986   4.986
  142   2HB   GLU  19          2HB       GLU  19  -2.920   6.579   6.579
  143   1HG   GLU  19          1HG       GLU  19  -1.384   7.474   7.474
  144   2HG   GLU  19          2HG       GLU  19  -0.310   6.100   6.100
  145    H    ASP  20           H        ASP  20  -1.174   5.274   5.274
  146    HA   ASP  20           HA       ASP  20   0.322   7.925   7.925
  147   1HB   ASP  20          1HB       ASP  20  -2.146   8.041   8.041
  148   2HB   ASP  20          2HB       ASP  20  -1.550   7.082   7.082
  149    H    LYS  21           H        LYS  21  -0.288   4.925   4.925
  150    HA   LYS  21           HA       LYS  21   2.342   5.113   5.113
  151   1HB   LYS  21          1HB       LYS  21   0.575   2.607   2.607
  152   2HB   LYS  21          2HB       LYS  21   1.808   2.810   2.810
  153   1HG   LYS  21          1HG       LYS  21   0.211   3.669   3.669
  154   2HG   LYS  21          2HG       LYS  21  -0.010   5.042   5.042
  155   1HD   LYS  21          1HD       LYS  21  -1.975   3.276   3.276
  156   2HD   LYS  21          2HD       LYS  21  -2.035   4.204   4.204
  157   1HE   LYS  21          1HE       LYS  21  -1.608   2.343   2.343
  158   2HE   LYS  21          2HE       LYS  21  -0.378   1.693   1.693
  159   1HZ   LYS  21          1HZ       LYS  21  -3.250   1.655   1.655
  160   2HZ   LYS  21          2HZ       LYS  21  -2.545   0.433   0.433
  161   3HZ   LYS  21          3HZ       LYS  21  -1.990   0.745   0.745
  162    H    ALA  22           H        ALA  22   1.116   3.759   3.759
  163    HA   ALA  22           HA       ALA  22   3.503   2.188   2.188
  164   1HB   ALA  22          2HB       ALA  22   1.303   2.012   2.012
  165   2HB   ALA  22          3HB       ALA  22   1.492   3.668   3.668
  166   3HB   ALA  22          1HB       ALA  22   2.607   2.381   2.381
  167    H    ARG  23           H        ARG  23   2.900   5.591   5.591
  168    HA   ARG  23           HA       ARG  23   4.967   6.293   6.293
  169   1HB   ARG  23          1HB       ARG  23   3.172   7.685   7.685
  170   2HB   ARG  23          2HB       ARG  23   4.733   8.477   8.477
  171   1HG   ARG  23          1HG       ARG  23   3.261   9.561   9.561
  172   2HG   ARG  23          2HG       ARG  23   4.432   8.621   8.621
  173   1HD   ARG  23          1HD       ARG  23   2.587   6.693   6.693
  174   2HD   ARG  23          2HD       ARG  23   1.471   7.999   7.999
  175    HE   ARG  23           HE       ARG  23   2.488   9.243   9.243
  176   1HH1  ARG  23          2HH2      ARG  23   1.897   5.823   5.823
  177   2HH1  ARG  23          1HH2      ARG  23   1.679   5.704   5.704
  178   1HH2  ARG  23          1HH1      ARG  23   2.240   9.033   9.033
  179   2HH2  ARG  23          2HH1      ARG  23   1.861   7.444   7.444
  180    H    GLU  24           H        GLU  24   4.998   6.258   6.258
  181    HA   GLU  24           HA       GLU  24   7.880   7.018   7.018
  182   1HB   GLU  24          1HB       GLU  24   6.245   5.730   5.730
  183   2HB   GLU  24          2HB       GLU  24   7.670   6.725   6.725
  184   1HG   GLU  24          1HG       GLU  24   6.469   8.774   8.774
  185   2HG   GLU  24          2HG       GLU  24   5.194   8.005   8.005
  186    H    LEU  25           H        LEU  25   6.032   4.052   4.052
  187    HA   LEU  25           HA       LEU  25   8.337   2.289   2.289
  188   1HB   LEU  25          1HB       LEU  25   6.396   1.071   1.071
  189   2HB   LEU  25          2HB       LEU  25   5.458   2.001   2.001
  190    HG   LEU  25           HG       LEU  25   7.477  -0.004  -0.004
  191   1HD1  LEU  25          2HD1      LEU  25   6.289  -1.239  -1.239
  192   2HD1  LEU  25          3HD1      LEU  25   4.710  -0.787  -0.787
  193   3HD1  LEU  25          1HD1      LEU  25   5.809  -1.855  -1.855
  194   1HD2  LEU  25          2HD2      LEU  25   4.665   0.900   0.900
  195   2HD2  LEU  25          3HD2      LEU  25   6.230   1.352   1.352
  196   3HD2  LEU  25          1HD2      LEU  25   5.676  -0.323  -0.323
  197    H    ILE  26           H        ILE  26   7.175   3.919   3.919
  198    HA   ILE  26           HA       ILE  26   8.420   2.048   2.048
  199    HB   ILE  26           HB       ILE  26   7.064   4.733   4.733
  200   1HG1  ILE  26          1HG1      ILE  26   6.890   2.621   2.621
  201   2HG1  ILE  26          2HG1      ILE  26   6.122   2.310   2.310
  202   1HG2  ILE  26          2HG2      ILE  26   9.185   5.367   5.367
  203   2HG2  ILE  26          3HG2      ILE  26   8.997   3.953   3.953
  204   3HG2  ILE  26          1HG2      ILE  26   7.836   5.297   5.297
  205   1HD1  ILE  26          2HD1      ILE  26   4.736   4.410   4.410
  206   2HD1  ILE  26          3HD1      ILE  26   5.409   4.709   4.709
  207   3HD1  ILE  26          1HD1      ILE  26   4.440   3.257   3.257
  208    H    SER  27           H        SER  27   9.514   4.848   4.848
  209    HA   SER  27           HA       SER  27  12.108   5.009   5.009
  210   1HB   SER  27          1HB       SER  27  12.402   6.802   6.802
  211   2HB   SER  27          2HB       SER  27  10.833   6.480   6.480
  212    HG   SER  27           HG       SER  27  12.999   6.512   6.512
  213    H    ARG  28           H        ARG  28  10.864   3.066   3.066
  214    HA   ARG  28           HA       ARG  28  13.494   1.778   1.778
  215   1HB   ARG  28          1HB       ARG  28  11.893   1.636   1.636
  216   2HB   ARG  28          2HB       ARG  28  10.561   1.241   1.241
  217   1HG   ARG  28          1HG       ARG  28  11.997  -1.067  -1.067
  218   2HG   ARG  28          2HG       ARG  28  12.755  -0.596  -0.596
  219   1HD   ARG  28          1HD       ARG  28   9.717  -0.472  -0.472
  220   2HD   ARG  28          2HD       ARG  28  10.450  -2.094  -2.094
  221    HE   ARG  28           HE       ARG  28  11.353  -1.850  -1.850
  222   1HH1  ARG  28          2HH2      ARG  28   9.980   1.177   1.177
  223   2HH1  ARG  28          1HH2      ARG  28  10.073   1.874   1.874
  224   1HH2  ARG  28          1HH1      ARG  28  11.422  -1.030  -1.030
  225   2HH2  ARG  28          2HH1      ARG  28  10.856   0.679   0.679
  226    H    ILE  29           H        ILE  29  11.018   1.377   1.377
  227    HA   ILE  29           HA       ILE  29  11.698  -1.510  -1.510
  228    HB   ILE  29           HB       ILE  29   9.699   0.466   0.466
  229   1HG1  ILE  29          1HG1      ILE  29   8.337  -0.722  -0.722
  230   2HG1  ILE  29          2HG1      ILE  29   8.370  -1.971  -1.971
  231   1HG2  ILE  29          2HG2      ILE  29  10.669  -0.515  -0.515
  232   2HG2  ILE  29          3HG2      ILE  29  10.398  -2.161  -2.161
  233   3HG2  ILE  29          1HG2      ILE  29   9.037  -1.084  -1.084
  234   1HD1  ILE  29          2HD1      ILE  29  10.266  -3.168  -3.168
  235   2HD1  ILE  29          3HD1      ILE  29  10.196  -1.981  -1.981
  236   3HD1  ILE  29          1HD1      ILE  29   8.805  -3.030  -3.030
  237    H    LYS  30           H        LYS  30  12.435   1.598   1.598
  238    HA   LYS  30           HA       LYS  30  13.468   0.648   0.648
  239   1HB   LYS  30          1HB       LYS  30  13.884   3.143   3.143
  240   2HB   LYS  30          2HB       LYS  30  15.009   2.881   2.881
  241   1HG   LYS  30          1HG       LYS  30  12.836   4.319   4.319
  242   2HG   LYS  30          2HG       LYS  30  13.314   3.127   3.127
  243   1HD   LYS  30          1HD       LYS  30  11.594   1.619   1.619
  244   2HD   LYS  30          2HD       LYS  30  10.929   3.242   3.242
  245   1HE   LYS  30          1HE       LYS  30  11.127   3.546   3.546
  246   2HE   LYS  30          2HE       LYS  30  11.274   1.782   1.782
  247   1HZ   LYS  30          3HZ       LYS  30   9.216   1.854   1.854
  248   2HZ   LYS  30          1HZ       LYS  30   9.004   3.403   3.403
  249   3HZ   LYS  30          2HZ       LYS  30   9.025   2.078   2.078
  250    H    GLN  31           H        GLN  31  14.863   0.897   0.897
  251    HA   GLN  31           HA       GLN  31  17.596   0.221   0.221
  252   1HB   GLN  31          1HB       GLN  31  16.679   1.896   1.896
  253   2HB   GLN  31          2HB       GLN  31  17.115   0.469   0.469
  254   1HG   GLN  31          1HG       GLN  31  19.480   0.655   0.655
  255   2HG   GLN  31          2HG       GLN  31  18.964   2.280   2.280
  256   1HE2  GLN  31          2HE2      GLN  31  19.356   3.084   3.084
  257   2HE2  GLN  31          1HE2      GLN  31  17.941   3.116   3.116
  258    H    SER  32           H        SER  32  15.722  -1.798  -1.798
  259    HA   SER  32           HA       SER  32  17.281  -4.026  -4.026
  260   1HB   SER  32          1HB       SER  32  15.582  -4.963  -4.963
  261   2HB   SER  32          2HB       SER  32  16.802  -3.811  -3.811
  262    HG   SER  32           HG       SER  32  14.273  -3.595  -3.595
  263    H    GLU  33           H        GLU  33  16.068  -3.339  -3.339
  264    HA   GLU  33           HA       GLU  33  14.111  -5.690  -5.690
  265   1HB   GLU  33          1HB       GLU  33  13.756  -2.810  -2.810
  266   2HB   GLU  33          2HB       GLU  33  13.576  -3.729  -3.729
  267   1HG   GLU  33          1HG       GLU  33  11.940  -5.187  -5.187
  268   2HG   GLU  33          2HG       GLU  33  11.734  -3.547  -3.547
  269    H    LEU  34           H        LEU  34  17.063  -5.307  -5.307
  270    HA   LEU  34           HA       LEU  34  16.828  -6.702  -6.702
  271   1HB   LEU  34          1HB       LEU  34  19.268  -5.906  -5.906
  272   2HB   LEU  34          2HB       LEU  34  17.999  -4.711  -4.711
  273    HG   LEU  34           HG       LEU  34  19.859  -4.983  -4.983
  274   1HD1  LEU  34          2HD1      LEU  34  21.013  -4.156  -4.156
  275   2HD1  LEU  34          3HD1      LEU  34  19.796  -2.869  -2.869
  276   3HD1  LEU  34          1HD1      LEU  34  20.889  -2.871  -2.871
  277   1HD2  LEU  34          2HD2      LEU  34  17.692  -2.846  -2.846
  278   2HD2  LEU  34          3HD2      LEU  34  17.694  -4.019  -4.019
  279   3HD2  LEU  34          1HD2      LEU  34  18.909  -2.737  -2.737
  280    H    SER  35           H        SER  35  18.496  -6.496  -6.496
  281    HA   SER  35           HA       SER  35  19.992  -8.053  -8.053
  282   1HB   SER  35          1HB       SER  35  18.828 -10.357 -10.357
  283   2HB   SER  35          2HB       SER  35  19.373 -10.376 -10.376
  284    HG   SER  35           HG       SER  35  17.441  -9.792  -9.792
  285    H    ALA  36           H        ALA  36  20.644  -6.641  -6.641
  286    HA   ALA  36           HA       ALA  36  22.161  -8.617  -8.617
  287   1HB   ALA  36          2HB       ALA  36  20.697  -6.882  -6.882
  288   2HB   ALA  36          3HB       ALA  36  21.613  -5.572  -5.572
  289   3HB   ALA  36          1HB       ALA  36  22.391  -6.601  -6.601
  290    H    LYS  37           H        LYS  37  22.967  -7.875  -7.875
  291    HA   LYS  37           HA       LYS  37  24.807  -6.891  -6.891
  292   1HB   LYS  37          1HB       LYS  37  26.771  -7.580  -7.580
  293   2HB   LYS  37          2HB       LYS  37  26.759  -8.073  -8.073
  294   1HG   LYS  37          1HG       LYS  37  24.515  -9.474  -9.474
  295   2HG   LYS  37          2HG       LYS  37  25.635  -9.469  -9.469
  296   1HD   LYS  37          1HD       LYS  37  26.761 -10.226 -10.226
  297   2HD   LYS  37          2HD       LYS  37  25.566 -11.340 -11.340
  298   1HE   LYS  37          1HE       LYS  37  26.938 -11.962 -11.962
  299   2HE   LYS  37          2HE       LYS  37  27.652 -10.351 -10.351
  300   1HZ   LYS  37          2HZ       LYS  37  28.244 -11.933 -11.933
  301   2HZ   LYS  37          3HZ       LYS  37  29.050 -12.261 -12.261
  302   3HZ   LYS  37          1HZ       LYS  37  29.158 -10.734 -10.734
  303    H    MET  38           H        MET  38  23.393  -5.141  -5.141
  304    HA   MET  38           HA       MET  38  25.579  -3.549  -3.549
  305   1HB   MET  38          1HB       MET  38  22.745  -3.992  -3.992
  306   2HB   MET  38          2HB       MET  38  22.894  -2.297  -2.297
  307   1HG   MET  38          1HG       MET  38  24.944  -3.086  -3.086
  308   2HG   MET  38          2HG       MET  38  23.275  -3.383  -3.383
  309   1HE   MET  38          2HE       MET  38  22.643  -2.180  -2.180
  310   2HE   MET  38          1HE       MET  38  21.605  -0.860  -0.860
  311   3HE   MET  38          3HE       MET  38  23.034  -0.477  -0.477

  Start of MODEL   23
    1   1H    THR   1          2H        THR   1 -23.857 -10.824 -10.824
    2   2H    THR   1          3H        THR   1 -22.560 -10.003 -10.003
    3   3H    THR   1          1H        THR   1 -22.354 -11.571 -11.571
    4    HA   THR   1           HA       THR   1 -22.299 -11.000 -11.000
    5    HB   THR   1           HB       THR   1 -20.674  -9.516  -9.516
    6    HG1  THR   1           HG1      THR   1 -19.461  -9.149  -9.149
    7   1HG2  THR   1          3HG2      THR   1 -21.803  -7.488  -7.488
    8   2HG2  THR   1          1HG2      THR   1 -20.358  -7.240  -7.240
    9   3HG2  THR   1          2HG2      THR   1 -21.946  -7.339  -7.339
   10    HA   PRO   2           HA       PRO   2 -25.432  -8.701  -8.701
   11   1HB   PRO   2          1HB       PRO   2 -23.166  -7.186  -7.186
   12   2HB   PRO   2          2HB       PRO   2 -24.661  -8.059  -8.059
   13   1HG   PRO   2          1HG       PRO   2 -22.104  -9.223  -9.223
   14   2HG   PRO   2          2HG       PRO   2 -23.733 -10.130 -10.130
   15   1HD   PRO   2          1HD       PRO   2 -21.551  -8.855  -8.855
   16   2HD   PRO   2          2HD       PRO   2 -22.233 -10.568 -10.568
   17    H    ASP   3           H        ASP   3 -25.654  -6.360  -6.360
   18    HA   ASP   3           HA       ASP   3 -26.184  -4.544  -4.544
   19   1HB   ASP   3          1HB       ASP   3 -26.817  -4.440  -4.440
   20   2HB   ASP   3          2HB       ASP   3 -25.357  -3.484  -3.484
   21    H    VAL   4           H        VAL   4 -24.818  -4.201  -4.201
   22    HA   VAL   4           HA       VAL   4 -21.941  -3.651  -3.651
   23    HB   VAL   4           HB       VAL   4 -23.231  -2.726  -2.726
   24   1HG1  VAL   4          1HG2      VAL   4 -20.766  -4.558  -4.558
   25   2HG1  VAL   4          2HG2      VAL   4 -21.367  -3.977  -3.977
   26   3HG1  VAL   4          3HG2      VAL   4 -20.730  -2.827  -2.827
   27   1HG2  VAL   4          2HG1      VAL   4 -24.585  -4.818  -4.818
   28   2HG2  VAL   4          3HG1      VAL   4 -23.550  -5.004  -5.004
   29   3HG2  VAL   4          1HG1      VAL   4 -23.084  -5.766  -5.766
   30    H    SER   5           H        SER   5 -24.788  -1.726  -1.726
   31    HA   SER   5           HA       SER   5 -23.591   0.803   0.803
   32   1HB   SER   5          1HB       SER   5 -26.011   0.086   0.086
   33   2HB   SER   5          2HB       SER   5 -25.520   1.768   1.768
   34    HG   SER   5           HG       SER   5 -25.867   0.188   0.188
   35    H    SER   6           H        SER   6 -23.977  -0.650  -0.650
   36    HA   SER   6           HA       SER   6 -21.886   1.371   1.371
   37   1HB   SER   6          1HB       SER   6 -24.021  -0.141  -0.141
   38   2HB   SER   6          2HB       SER   6 -22.814   0.917   0.917
   39    HG   SER   6           HG       SER   6 -25.150   1.603   1.603
   40    H    ALA   7           H        ALA   7 -21.346  -1.039  -1.039
   41    HA   ALA   7           HA       ALA   7 -19.876  -2.602  -2.602
   42   1HB   ALA   7          2HB       ALA   7 -21.028  -3.852  -3.852
   43   2HB   ALA   7          3HB       ALA   7 -20.050  -2.985  -2.985
   44   3HB   ALA   7          1HB       ALA   7 -19.277  -4.126  -4.126
   45    H    LEU   8           H        LEU   8 -19.340  -0.126  -0.126
   46    HA   LEU   8           HA       LEU   8 -16.346  -0.324  -0.324
   47   1HB   LEU   8          1HB       LEU   8 -18.024   0.848   0.848
   48   2HB   LEU   8          2HB       LEU   8 -17.678   2.255   2.255
   49    HG   LEU   8           HG       LEU   8 -16.053   0.986   0.986
   50   1HD1  LEU   8          2HD1      LEU   8 -16.622   3.428   3.428
   51   2HD1  LEU   8          3HD1      LEU   8 -15.655   3.586   3.586
   52   3HD1  LEU   8          1HD1      LEU   8 -14.866   3.189   3.189
   53   1HD2  LEU   8          2HD2      LEU   8 -14.602   1.358   1.358
   54   2HD2  LEU   8          3HD2      LEU   8 -14.772  -0.157  -0.157
   55   3HD2  LEU   8          1HD2      LEU   8 -13.787   1.156   1.156
   56    H    ASP   9           H        ASP   9 -18.959   1.216   1.216
   57    HA   ASP   9           HA       ASP   9 -17.523   3.153   3.153
   58   1HB   ASP   9          1HB       ASP   9 -20.010   2.706   2.706
   59   2HB   ASP   9          2HB       ASP   9 -19.659   1.149   1.149
   60    H    LYS  10           H        LYS  10 -17.380  -0.311  -0.311
   61    HA   LYS  10           HA       LYS  10 -15.994  -0.316  -0.316
   62   1HB   LYS  10          1HB       LYS  10 -16.102  -2.437  -2.437
   63   2HB   LYS  10          2HB       LYS  10 -15.395  -2.742  -2.742
   64   1HG   LYS  10          1HG       LYS  10 -17.518  -2.737  -2.737
   65   2HG   LYS  10          2HG       LYS  10 -18.252  -1.644  -1.644
   66   1HD   LYS  10          1HD       LYS  10 -19.280  -3.807  -3.807
   67   2HD   LYS  10          2HD       LYS  10 -18.185  -3.634  -3.634
   68   1HE   LYS  10          1HE       LYS  10 -17.314  -5.689  -5.689
   69   2HE   LYS  10          2HE       LYS  10 -16.416  -4.749  -4.749
   70   1HZ   LYS  10          3HZ       LYS  10 -19.185  -5.549  -5.549
   71   2HZ   LYS  10          1HZ       LYS  10 -17.946  -6.680  -6.680
   72   3HZ   LYS  10          2HZ       LYS  10 -17.893  -5.266  -5.266
   73    H    LEU  11           H        LEU  11 -14.969  -0.183  -0.183
   74    HA   LEU  11           HA       LEU  11 -12.080  -0.475  -0.475
   75   1HB   LEU  11          1HB       LEU  11 -13.371   0.267   0.267
   76   2HB   LEU  11          2HB       LEU  11 -11.666  -0.065  -0.065
   77    HG   LEU  11           HG       LEU  11 -13.044  -1.943  -1.943
   78   1HD1  LEU  11          2HD1      LEU  11 -10.777  -2.335  -2.335
   79   2HD1  LEU  11          3HD1      LEU  11 -11.513  -2.632  -2.632
   80   3HD1  LEU  11          1HD1      LEU  11 -11.830  -3.741  -3.741
   81   1HD2  LEU  11          2HD2      LEU  11 -14.168  -2.251  -2.251
   82   2HD2  LEU  11          3HD2      LEU  11 -15.095  -1.886  -1.886
   83   3HD2  LEU  11          1HD2      LEU  11 -14.327  -3.467  -3.467
   84    H    LYS  12           H        LYS  12 -14.134   2.009   2.009
   85    HA   LYS  12           HA       LYS  12 -12.051   4.102   4.102
   86   1HB   LYS  12          1HB       LYS  12 -14.904   4.079   4.079
   87   2HB   LYS  12          2HB       LYS  12 -14.285   4.961   4.961
   88   1HG   LYS  12          1HG       LYS  12 -14.341   6.790   6.790
   89   2HG   LYS  12          2HG       LYS  12 -12.787   6.175   6.175
   90   1HD   LYS  12          1HD       LYS  12 -14.218   6.700   6.700
   91   2HD   LYS  12          2HD       LYS  12 -14.037   4.936   4.936
   92   1HE   LYS  12          1HE       LYS  12 -16.338   4.751   4.751
   93   2HE   LYS  12          2HE       LYS  12 -16.290   5.435   5.435
   94   1HZ   LYS  12          3HZ       LYS  12 -16.080   7.675   7.675
   95   2HZ   LYS  12          1HZ       LYS  12 -16.815   6.791   6.791
   96   3HZ   LYS  12          2HZ       LYS  12 -17.577   6.955   6.955
   97    H    GLU  13           H        GLU  13 -10.603   2.646   2.646
   98    HA   GLU  13           HA       GLU  13  -9.891   3.826   3.826
   99   1HB   GLU  13          1HB       GLU  13 -12.167   3.279   3.279
  100   2HB   GLU  13          2HB       GLU  13 -12.012   1.610   1.610
  101   1HG   GLU  13          1HG       GLU  13 -11.579   1.314   1.314
  102   2HG   GLU  13          2HG       GLU  13  -9.931   1.609   1.609
  103    H    PHE  14           H        PHE  14 -10.570   0.377   0.377
  104    HA   PHE  14           HA       PHE  14  -7.967  -0.623  -0.623
  105   1HB   PHE  14          1HB       PHE  14  -9.792  -2.202  -2.202
  106   2HB   PHE  14          2HB       PHE  14 -10.478  -1.627  -1.627
  107    HD1  PHE  14           HD1      PHE  14  -7.114  -3.062  -3.062
  108    HD2  PHE  14           HD2      PHE  14 -10.390  -3.182  -3.182
  109    HE1  PHE  14           HE1      PHE  14  -6.118  -5.030  -5.030
  110    HE2  PHE  14           HE2      PHE  14  -9.383  -5.152  -5.152
  111    HZ   PHE  14           HZ       PHE  14  -7.265  -6.102  -6.102
  112    H    GLY  15           H        GLY  15  -9.133   1.142   1.142
  113   1HA   GLY  15          1HA       GLY  15  -6.833   0.108   0.108
  114   2HA   GLY  15          2HA       GLY  15  -7.993   1.370   1.370
  115    H    ASN  16           H        ASN  16  -7.850   3.126   3.126
  116    HA   ASN  16           HA       ASN  16  -5.544   4.730   4.730
  117   1HB   ASN  16          1HB       ASN  16  -7.367   5.765   5.765
  118   2HB   ASN  16          2HB       ASN  16  -7.441   4.506   4.506
  119   1HD2  ASN  16          1HD2      ASN  16  -5.823   6.879   6.879
  120   2HD2  ASN  16          2HD2      ASN  16  -7.326   5.853   5.853
  121    H    THR  17           H        THR  17  -5.844   2.047   2.047
  122    HA   THR  17           HA       THR  17  -3.596   2.692   2.692
  123    HB   THR  17           HB       THR  17  -4.512  -0.143  -0.143
  124    HG1  THR  17           HG1      THR  17  -5.889   0.040   0.040
  125   1HG2  THR  17          3HG2      THR  17  -3.265   0.796   0.796
  126   2HG2  THR  17          1HG2      THR  17  -3.889  -0.838  -0.838
  127   3HG2  THR  17          2HG2      THR  17  -2.463  -0.254  -0.254
  128    H    LEU  18           H        LEU  18  -3.721   1.040   1.040
  129    HA   LEU  18           HA       LEU  18  -0.884   0.275   0.275
  130   1HB   LEU  18          1HB       LEU  18  -2.351   1.042   1.042
  131   2HB   LEU  18          2HB       LEU  18  -1.166  -0.226  -0.226
  132    HG   LEU  18           HG       LEU  18  -4.136  -0.249  -0.249
  133   1HD1  LEU  18          3HD2      LEU  18  -3.397  -0.941  -0.941
  134   2HD1  LEU  18          1HD2      LEU  18  -2.490  -2.280  -2.280
  135   3HD1  LEU  18          2HD2      LEU  18  -4.266  -2.219  -2.219
  136   1HD2  LEU  18          2HD1      LEU  18  -2.778  -1.190  -1.190
  137   2HD2  LEU  18          3HD1      LEU  18  -3.791  -2.431  -2.431
  138   3HD2  LEU  18          1HD1      LEU  18  -2.043  -2.366  -2.366
  139    H    GLU  19           H        GLU  19  -2.568   3.181   3.181
  140    HA   GLU  19           HA       GLU  19   0.078   4.291   4.291
  141   1HB   GLU  19          1HB       GLU  19  -2.347   4.336   4.336
  142   2HB   GLU  19          2HB       GLU  19  -2.665   5.684   5.684
  143   1HG   GLU  19          1HG       GLU  19  -0.401   6.722   6.722
  144   2HG   GLU  19          2HG       GLU  19  -0.645   5.539   5.539
  145    H    ASP  20           H        ASP  20  -0.533   3.938   3.938
  146    HA   ASP  20           HA       ASP  20   0.564   6.681   6.681
  147   1HB   ASP  20          1HB       ASP  20  -2.158   5.951   5.951
  148   2HB   ASP  20          2HB       ASP  20  -1.220   5.858   5.858
  149    H    LYS  21           H        LYS  21  -0.392   3.615   3.615
  150    HA   LYS  21           HA       LYS  21   1.797   3.470   3.470
  151   1HB   LYS  21          1HB       LYS  21   0.523   1.595   1.595
  152   2HB   LYS  21          2HB       LYS  21  -0.190   1.626   1.626
  153   1HG   LYS  21          1HG       LYS  21   2.659   0.506   0.506
  154   2HG   LYS  21          2HG       LYS  21   1.221  -0.491  -0.491
  155   1HD   LYS  21          1HD       LYS  21   1.070   0.830   0.830
  156   2HD   LYS  21          2HD       LYS  21   2.719   0.203   0.203
  157   1HE   LYS  21          1HE       LYS  21   0.259  -1.542  -1.542
  158   2HE   LYS  21          2HE       LYS  21   0.903  -1.489  -1.489
  159   1HZ   LYS  21          1HZ       LYS  21   2.846  -1.879  -1.879
  160   2HZ   LYS  21          2HZ       LYS  21   1.814  -3.159  -3.159
  161   3HZ   LYS  21          3HZ       LYS  21   2.806  -2.524  -2.524
  162    H    ALA  22           H        ALA  22   1.733   2.968   2.968
  163    HA   ALA  22           HA       ALA  22   4.297   1.423   1.423
  164   1HB   ALA  22          2HB       ALA  22   2.504   1.087   1.087
  165   2HB   ALA  22          3HB       ALA  22   2.689   2.771   2.771
  166   3HB   ALA  22          1HB       ALA  22   4.015   1.605   1.605
  167    H    ARG  23           H        ARG  23   3.303   4.741   4.741
  168    HA   ARG  23           HA       ARG  23   5.842   5.763   5.763
  169   1HB   ARG  23          1HB       ARG  23   3.390   6.878   6.878
  170   2HB   ARG  23          2HB       ARG  23   4.837   7.841   7.841
  171   1HG   ARG  23          1HG       ARG  23   3.861   8.800   8.800
  172   2HG   ARG  23          2HG       ARG  23   5.089   7.733   7.733
  173   1HD   ARG  23          1HD       ARG  23   3.212   5.914   5.914
  174   2HD   ARG  23          2HD       ARG  23   2.057   7.193   7.193
  175    HE   ARG  23           HE       ARG  23   2.666   8.422   8.422
  176   1HH1  ARG  23          2HH2      ARG  23   4.271   5.342   5.342
  177   2HH1  ARG  23          1HH2      ARG  23   4.657   5.337   5.337
  178   1HH2  ARG  23          1HH1      ARG  23   3.119   8.336   8.336
  179   2HH2  ARG  23          2HH1      ARG  23   4.038   6.961   6.961
  180    H    GLU  24           H        GLU  24   4.734   4.974   4.974
  181    HA   GLU  24           HA       GLU  24   7.036   6.378   6.378
  182   1HB   GLU  24          1HB       GLU  24   5.189   4.255   4.255
  183   2HB   GLU  24          2HB       GLU  24   6.098   5.486   5.486
  184   1HG   GLU  24          1HG       GLU  24   4.543   7.234   7.234
  185   2HG   GLU  24          2HG       GLU  24   3.956   6.423   6.423
  186    H    LEU  25           H        LEU  25   6.140   3.047   3.047
  187    HA   LEU  25           HA       LEU  25   8.628   1.898   1.898
  188   1HB   LEU  25          1HB       LEU  25   7.018   0.210   0.210
  189   2HB   LEU  25          2HB       LEU  25   6.341   0.946   0.946
  190    HG   LEU  25           HG       LEU  25   9.071  -0.460  -0.460
  191   1HD1  LEU  25          2HD1      LEU  25   7.351  -2.073  -2.073
  192   2HD1  LEU  25          3HD1      LEU  25   6.294  -1.743  -1.743
  193   3HD1  LEU  25          1HD1      LEU  25   7.872  -2.534  -2.534
  194   1HD2  LEU  25          2HD2      LEU  25   7.029   0.182   0.182
  195   2HD2  LEU  25          3HD2      LEU  25   8.634   0.920   0.920
  196   3HD2  LEU  25          1HD2      LEU  25   8.515  -0.785  -0.785
  197    H    ILE  26           H        ILE  26   7.882   3.547   3.547
  198    HA   ILE  26           HA       ILE  26  10.085   2.366   2.366
  199    HB   ILE  26           HB       ILE  26   8.254   4.766   4.766
  200   1HG1  ILE  26          1HG1      ILE  26   9.047   2.969   2.969
  201   2HG1  ILE  26          2HG1      ILE  26   8.047   2.286   2.286
  202   1HG2  ILE  26          2HG2      ILE  26  10.472   5.869   5.869
  203   2HG2  ILE  26          3HG2      ILE  26  10.836   4.573   4.573
  204   3HG2  ILE  26          1HG2      ILE  26   9.497   5.708   5.708
  205   1HD1  ILE  26          2HD1      ILE  26   6.297   4.077   4.077
  206   2HD1  ILE  26          3HD1      ILE  26   7.228   4.742   4.742
  207   3HD1  ILE  26          1HD1      ILE  26   6.569   3.100   3.100
  208    H    SER  27           H        SER  27   9.893   4.957   4.957
  209    HA   SER  27           HA       SER  27  12.684   5.838   5.838
  210   1HB   SER  27          1HB       SER  27  12.000   7.435   7.435
  211   2HB   SER  27          2HB       SER  27  10.525   6.555   6.555
  212    HG   SER  27           HG       SER  27  13.080   6.264   6.264
  213    H    ARG  28           H        ARG  28  11.162   3.543   3.543
  214    HA   ARG  28           HA       ARG  28  13.555   2.433   2.433
  215   1HB   ARG  28          1HB       ARG  28  11.679   1.414   1.414
  216   2HB   ARG  28          2HB       ARG  28  10.734   1.558   1.558
  217   1HG   ARG  28          1HG       ARG  28  11.539  -0.575  -0.575
  218   2HG   ARG  28          2HG       ARG  28  12.978  -0.556  -0.556
  219   1HD   ARG  28          1HD       ARG  28  11.868  -1.825  -1.825
  220   2HD   ARG  28          2HD       ARG  28  10.707  -0.498  -0.498
  221    HE   ARG  28           HE       ARG  28   9.128  -1.742  -1.742
  222   1HH1  ARG  28          2HH2      ARG  28  12.254  -2.679  -2.679
  223   2HH1  ARG  28          1HH2      ARG  28  11.531  -3.921  -3.921
  224   1HH2  ARG  28          1HH1      ARG  28   8.420  -3.110  -3.110
  225   2HH2  ARG  28          2HH1      ARG  28   9.448  -4.158  -4.158
  226    H    ILE  29           H        ILE  29  12.353   2.177   2.177
  227    HA   ILE  29           HA       ILE  29  13.960  -0.322  -0.322
  228    HB   ILE  29           HB       ILE  29  11.920   1.301   1.301
  229   1HG1  ILE  29          1HG1      ILE  29  10.631  -0.466  -0.466
  230   2HG1  ILE  29          2HG1      ILE  29  11.439  -1.362  -1.362
  231   1HG2  ILE  29          2HG2      ILE  29  13.772   1.093   1.093
  232   2HG2  ILE  29          3HG2      ILE  29  13.845  -0.665  -0.665
  233   3HG2  ILE  29          1HG2      ILE  29  12.411   0.098   0.098
  234   1HD1  ILE  29          2HD1      ILE  29  13.144  -2.275  -2.275
  235   2HD1  ILE  29          3HD1      ILE  29  12.290  -1.470  -1.470
  236   3HD1  ILE  29          1HD1      ILE  29  11.474  -2.732  -2.732
  237    H    LYS  30           H        LYS  30  14.090   3.095   3.095
  238    HA   LYS  30           HA       LYS  30  16.234   3.089   3.089
  239   1HB   LYS  30          1HB       LYS  30  15.997   5.368   5.368
  240   2HB   LYS  30          2HB       LYS  30  14.752   5.047   5.047
  241   1HG   LYS  30          1HG       LYS  30  17.098   4.811   4.811
  242   2HG   LYS  30          2HG       LYS  30  17.591   6.016   6.016
  243   1HD   LYS  30          1HD       LYS  30  15.064   6.955   6.955
  244   2HD   LYS  30          2HD       LYS  30  15.631   6.154   6.154
  245   1HE   LYS  30          1HE       LYS  30  17.982   7.427   7.427
  246   2HE   LYS  30          2HE       LYS  30  16.872   8.550   8.550
  247   1HZ   LYS  30          2HZ       LYS  30  15.637   8.086   8.086
  248   2HZ   LYS  30          3HZ       LYS  30  17.261   8.080   8.080
  249   3HZ   LYS  30          1HZ       LYS  30  16.609   9.411   9.411
  250    H    GLN  31           H        GLN  31  16.255   2.880   2.880
  251    HA   GLN  31           HA       GLN  31  19.278   3.013   3.013
  252   1HB   GLN  31          1HB       GLN  31  17.283   3.974   3.974
  253   2HB   GLN  31          2HB       GLN  31  17.749   2.498   2.498
  254   1HG   GLN  31          1HG       GLN  31  20.278   3.516   3.516
  255   2HG   GLN  31          2HG       GLN  31  19.421   5.027   5.027
  256   1HE2  GLN  31          2HE2      GLN  31  20.390   3.887   3.887
  257   2HE2  GLN  31          1HE2      GLN  31  21.186   3.374   3.374
  258    H    SER  32           H        SER  32  18.207   0.779   0.779
  259    HA   SER  32           HA       SER  32  19.497  -1.398  -1.398
  260   1HB   SER  32          1HB       SER  32  17.155  -0.962  -0.962
  261   2HB   SER  32          2HB       SER  32  16.441  -1.758  -1.758
  262    HG   SER  32           HG       SER  32  17.856  -2.798  -2.798
  263    H    GLU  33           H        GLU  33  19.414  -0.177  -0.177
  264    HA   GLU  33           HA       GLU  33  18.935  -2.800  -2.800
  265   1HB   GLU  33          1HB       GLU  33  17.555  -0.171  -0.171
  266   2HB   GLU  33          2HB       GLU  33  18.361  -0.543  -0.543
  267   1HG   GLU  33          1HG       GLU  33  17.064  -2.978  -2.978
  268   2HG   GLU  33          2HG       GLU  33  15.986  -1.952  -1.952
  269    H    LEU  34           H        LEU  34  21.310  -1.148  -1.148
  270    HA   LEU  34           HA       LEU  34  22.657  -0.459  -0.459
  271   1HB   LEU  34          1HB       LEU  34  24.705  -0.151  -0.151
  272   2HB   LEU  34          2HB       LEU  34  23.312   0.583   0.583
  273    HG   LEU  34           HG       LEU  34  24.232  -2.244  -2.244
  274   1HD1  LEU  34          2HD1      LEU  34  26.185  -0.685  -0.685
  275   2HD1  LEU  34          3HD1      LEU  34  25.187   0.402   0.402
  276   3HD1  LEU  34          1HD1      LEU  34  25.568  -1.241  -1.241
  277   1HD2  LEU  34          2HD2      LEU  34  22.576  -0.158  -0.158
  278   2HD2  LEU  34          3HD2      LEU  34  21.990  -1.688  -1.688
  279   3HD2  LEU  34          1HD2      LEU  34  23.128  -1.725  -1.725
  280    H    SER  35           H        SER  35  22.835  -3.219  -3.219
  281    HA   SER  35           HA       SER  35  23.450  -4.898  -4.898
  282   1HB   SER  35          1HB       SER  35  25.536  -5.393  -5.393
  283   2HB   SER  35          2HB       SER  35  25.644  -5.685  -5.685
  284    HG   SER  35           HG       SER  35  26.947  -3.965  -3.965
  285    H    ALA  36           H        ALA  36  21.415  -4.454  -4.454
  286    HA   ALA  36           HA       ALA  36  21.637  -6.000  -6.000
  287   1HB   ALA  36          2HB       ALA  36  19.946  -4.169  -4.169
  288   2HB   ALA  36          3HB       ALA  36  19.120  -5.145  -5.145
  289   3HB   ALA  36          1HB       ALA  36  19.108  -5.662  -5.662
  290    H    LYS  37           H        LYS  37  19.450  -6.735  -6.735
  291    HA   LYS  37           HA       LYS  37  20.577  -9.555  -9.555
  292   1HB   LYS  37          1HB       LYS  37  18.361  -9.220  -9.220
  293   2HB   LYS  37          2HB       LYS  37  17.529  -9.262  -9.262
  294   1HG   LYS  37          1HG       LYS  37  17.601 -11.567 -11.567
  295   2HG   LYS  37          2HG       LYS  37  19.344 -11.480 -11.480
  296   1HD   LYS  37          1HD       LYS  37  17.802 -11.534 -11.534
  297   2HD   LYS  37          2HD       LYS  37  18.740 -12.865 -12.865
  298   1HE   LYS  37          1HE       LYS  37  20.618 -10.732 -10.732
  299   2HE   LYS  37          2HE       LYS  37  19.748 -10.439 -10.439
  300   1HZ   LYS  37          3HZ       LYS  37  20.659 -13.166 -13.166
  301   2HZ   LYS  37          1HZ       LYS  37  21.684 -12.061 -12.061
  302   3HZ   LYS  37          2HZ       LYS  37  20.266 -12.542 -12.542
  303    H    MET  38           H        MET  38  20.761  -7.217  -7.217
  304    HA   MET  38           HA       MET  38  18.761  -7.621  -7.621
  305   1HB   MET  38          1HB       MET  38  19.152  -5.318  -5.318
  306   2HB   MET  38          2HB       MET  38  20.765  -5.532  -5.532
  307   1HG   MET  38          1HG       MET  38  21.793  -5.243  -5.243
  308   2HG   MET  38          2HG       MET  38  20.642  -6.311  -6.311
  309   1HE   MET  38          1HE       MET  38  17.869  -5.201  -5.201
  310   2HE   MET  38          3HE       MET  38  17.497  -3.998  -3.998
  311   3HE   MET  38          2HE       MET  38  18.244  -5.564  -5.564

  Start of MODEL   24
    1   1H    THR   1          3H        THR   1 -21.317  -9.660  -9.660
    2   2H    THR   1          1H        THR   1 -20.011  -8.625  -8.625
    3   3H    THR   1          2H        THR   1 -19.775 -10.290 -10.290
    4    HA   THR   1           HA       THR   1 -20.112 -10.532 -10.532
    5    HB   THR   1           HB       THR   1 -18.099  -8.824  -8.824
    6    HG1  THR   1           HG1      THR   1 -17.111  -9.296  -9.296
    7   1HG2  THR   1          3HG2      THR   1 -19.253  -7.460  -7.460
    8   2HG2  THR   1          1HG2      THR   1 -17.667  -7.113  -7.113
    9   3HG2  THR   1          2HG2      THR   1 -19.140  -6.705  -6.705
   10    HA   PRO   2           HA       PRO   2 -23.201  -8.540  -8.540
   11   1HB   PRO   2          1HB       PRO   2 -20.958  -7.805  -7.805
   12   2HB   PRO   2          2HB       PRO   2 -22.624  -8.633  -8.633
   13   1HG   PRO   2          1HG       PRO   2 -20.233 -10.094 -10.094
   14   2HG   PRO   2          2HG       PRO   2 -21.906 -10.627 -10.627
   15   1HD   PRO   2          1HD       PRO   2 -19.382  -9.224  -9.224
   16   2HD   PRO   2          2HD       PRO   2 -20.250 -10.714 -10.714
   17    H    ASP   3           H        ASP   3 -23.377  -6.633  -6.633
   18    HA   ASP   3           HA       ASP   3 -23.276  -4.194  -4.194
   19   1HB   ASP   3          1HB       ASP   3 -24.863  -4.394  -4.394
   20   2HB   ASP   3          2HB       ASP   3 -23.534  -4.628  -4.628
   21    H    VAL   4           H        VAL   4 -21.492  -3.671  -3.671
   22    HA   VAL   4           HA       VAL   4 -18.976  -3.686  -3.686
   23    HB   VAL   4           HB       VAL   4 -19.208  -4.823  -4.823
   24   1HG1  VAL   4          1HG2      VAL   4 -18.762  -1.944  -1.944
   25   2HG1  VAL   4          2HG2      VAL   4 -18.605  -3.442  -3.442
   26   3HG1  VAL   4          3HG2      VAL   4 -20.175  -2.976  -2.976
   27   1HG2  VAL   4          2HG1      VAL   4 -16.949  -4.521  -4.521
   28   2HG2  VAL   4          3HG1      VAL   4 -16.848  -4.395  -4.395
   29   3HG2  VAL   4          1HG1      VAL   4 -16.786  -2.920  -2.920
   30    H    SER   5           H        SER   5 -21.116  -1.552  -1.552
   31    HA   SER   5           HA       SER   5 -19.428   0.815   0.815
   32   1HB   SER   5          1HB       SER   5 -21.331   2.047   2.047
   33   2HB   SER   5          2HB       SER   5 -21.862   0.449   0.449
   34    HG   SER   5           HG       SER   5 -23.133   1.999   1.999
   35    H    SER   6           H        SER   6 -21.628  -0.527  -0.527
   36    HA   SER   6           HA       SER   6 -20.267   1.340   1.340
   37   1HB   SER   6          1HB       SER   6 -23.133   0.325   0.325
   38   2HB   SER   6          2HB       SER   6 -22.501   0.583   0.583
   39    HG   SER   6           HG       SER   6 -23.194   2.395   2.395
   40    H    ALA   7           H        ALA   7 -19.214  -1.107  -1.107
   41    HA   ALA   7           HA       ALA   7 -19.308  -2.770  -2.770
   42   1HB   ALA   7          2HB       ALA   7 -19.350  -3.946  -3.946
   43   2HB   ALA   7          3HB       ALA   7 -17.801  -3.193  -3.193
   44   3HB   ALA   7          1HB       ALA   7 -17.869  -4.378  -4.378
   45    H    LEU   8           H        LEU   8 -17.365  -0.445  -0.445
   46    HA   LEU   8           HA       LEU   8 -14.927  -0.809  -0.809
   47   1HB   LEU   8          1HB       LEU   8 -15.572   0.827   0.827
   48   2HB   LEU   8          2HB       LEU   8 -15.854   1.977   1.977
   49    HG   LEU   8           HG       LEU   8 -13.526   1.898   1.898
   50   1HD1  LEU   8          2HD1      LEU   8 -13.125  -0.563  -0.563
   51   2HD1  LEU   8          3HD1      LEU   8 -13.095  -0.362  -0.362
   52   3HD1  LEU   8          1HD1      LEU   8 -11.835   0.388   0.388
   53   1HD2  LEU   8          2HD2      LEU   8 -13.681   2.058   2.058
   54   2HD2  LEU   8          3HD2      LEU   8 -13.901   3.399   3.399
   55   3HD2  LEU   8          1HD2      LEU   8 -12.313   2.643   2.643
   56    H    ASP   9           H        ASP   9 -17.987   0.740   0.740
   57    HA   ASP   9           HA       ASP   9 -17.228   2.374   2.374
   58   1HB   ASP   9          1HB       ASP   9 -19.530   2.490   2.490
   59   2HB   ASP   9          2HB       ASP   9 -19.877   0.856   0.856
   60    H    LYS  10           H        LYS  10 -17.869  -1.042  -1.042
   61    HA   LYS  10           HA       LYS  10 -18.304  -1.517  -1.517
   62   1HB   LYS  10          1HB       LYS  10 -17.586  -3.124  -3.124
   63   2HB   LYS  10          2HB       LYS  10 -16.743  -3.748  -3.748
   64   1HG   LYS  10          1HG       LYS  10 -19.802  -3.411  -3.411
   65   2HG   LYS  10          2HG       LYS  10 -18.903  -4.918  -4.918
   66   1HD   LYS  10          1HD       LYS  10 -18.332  -4.184  -4.184
   67   2HD   LYS  10          2HD       LYS  10 -19.358  -2.757  -2.757
   68   1HE   LYS  10          1HE       LYS  10 -21.382  -4.044  -4.044
   69   2HE   LYS  10          2HE       LYS  10 -20.529  -5.529  -5.529
   70   1HZ   LYS  10          3HZ       LYS  10 -19.464  -5.099  -5.099
   71   2HZ   LYS  10          1HZ       LYS  10 -20.970  -4.390  -4.390
   72   3HZ   LYS  10          2HZ       LYS  10 -20.865  -5.996  -5.996
   73    H    LEU  11           H        LEU  11 -15.287  -1.260  -1.260
   74    HA   LEU  11           HA       LEU  11 -13.744  -1.364  -1.364
   75   1HB   LEU  11          1HB       LEU  11 -12.906  -0.841  -0.841
   76   2HB   LEU  11          2HB       LEU  11 -11.778  -0.681  -0.681
   77    HG   LEU  11           HG       LEU  11 -11.753  -3.029  -3.029
   78   1HD1  LEU  11          2HD1      LEU  11 -14.234  -3.423  -3.423
   79   2HD1  LEU  11          3HD1      LEU  11 -14.234  -3.351  -3.351
   80   3HD1  LEU  11          1HD1      LEU  11 -13.377  -4.663  -4.663
   81   1HD2  LEU  11          2HD2      LEU  11 -11.944  -2.697  -2.697
   82   2HD2  LEU  11          3HD2      LEU  11 -10.481  -2.537  -2.537
   83   3HD2  LEU  11          1HD2      LEU  11 -11.254  -4.116  -4.116
   84    H    LYS  12           H        LYS  12 -13.236   1.000   1.000
   85    HA   LYS  12           HA       LYS  12 -12.737   3.315   3.315
   86   1HB   LYS  12          1HB       LYS  12 -15.269   3.275   3.275
   87   2HB   LYS  12          2HB       LYS  12 -14.945   3.167   3.167
   88   1HG   LYS  12          1HG       LYS  12 -15.414   5.533   5.533
   89   2HG   LYS  12          2HG       LYS  12 -13.722   5.404   5.404
   90   1HD   LYS  12          1HD       LYS  12 -13.831   5.025   5.025
   91   2HD   LYS  12          2HD       LYS  12 -14.956   6.346   6.346
   92   1HE   LYS  12          1HE       LYS  12 -12.410   6.531   6.531
   93   2HE   LYS  12          2HE       LYS  12 -12.120   6.618   6.618
   94   1HZ   LYS  12          2HZ       LYS  12 -13.859   8.324   8.324
   95   2HZ   LYS  12          3HZ       LYS  12 -14.065   8.281   8.281
   96   3HZ   LYS  12          1HZ       LYS  12 -12.600   8.786   8.786
   97    H    GLU  13           H        GLU  13 -13.679   3.196   3.196
   98    HA   GLU  13           HA       GLU  13 -11.383   4.226   4.226
   99   1HB   GLU  13          1HB       GLU  13 -13.653   3.008   3.008
  100   2HB   GLU  13          2HB       GLU  13 -12.565   1.676   1.676
  101   1HG   GLU  13          1HG       GLU  13 -12.454   2.724   2.724
  102   2HG   GLU  13          2HG       GLU  13 -11.101   3.529   3.529
  103    H    PHE  14           H        PHE  14 -11.720   0.702   0.702
  104    HA   PHE  14           HA       PHE  14  -9.136   0.046   0.046
  105   1HB   PHE  14          1HB       PHE  14 -10.517  -1.851  -1.851
  106   2HB   PHE  14          2HB       PHE  14 -11.168  -1.357  -1.357
  107    HD1  PHE  14           HD1      PHE  14  -9.746  -1.656  -1.656
  108    HD2  PHE  14           HD2      PHE  14  -8.670  -3.420  -3.420
  109    HE1  PHE  14           HE1      PHE  14  -8.300  -3.268  -3.268
  110    HE2  PHE  14           HE2      PHE  14  -7.223  -5.033  -5.033
  111    HZ   PHE  14           HZ       PHE  14  -7.024  -4.951  -4.951
  112    H    GLY  15           H        GLY  15  -9.801   1.370   1.370
  113   1HA   GLY  15          1HA       GLY  15  -7.188   0.302   0.302
  114   2HA   GLY  15          2HA       GLY  15  -8.345   1.348   1.348
  115    H    ASN  16           H        ASN  16  -8.691   3.386   3.386
  116    HA   ASN  16           HA       ASN  16  -6.465   5.138   5.138
  117   1HB   ASN  16          1HB       ASN  16  -8.506   6.160   6.160
  118   2HB   ASN  16          2HB       ASN  16  -8.739   5.019   5.019
  119   1HD2  ASN  16          1HD2      ASN  16  -7.620   7.617   7.617
  120   2HD2  ASN  16          2HD2      ASN  16  -8.914   6.364   6.364
  121    H    THR  17           H        THR  17  -6.984   2.763   2.763
  122    HA   THR  17           HA       THR  17  -4.809   3.673   3.673
  123    HB   THR  17           HB       THR  17  -6.067   0.877   0.877
  124    HG1  THR  17           HG1      THR  17  -7.050   1.421   1.421
  125   1HG2  THR  17          3HG2      THR  17  -4.216   1.749   1.749
  126   2HG2  THR  17          1HG2      THR  17  -5.153   0.236   0.236
  127   3HG2  THR  17          2HG2      THR  17  -3.829   0.497   0.497
  128    H    LEU  18           H        LEU  18  -4.908   1.350   1.350
  129    HA   LEU  18           HA       LEU  18  -2.077   0.662   0.662
  130   1HB   LEU  18          1HB       LEU  18  -3.487   1.040   1.040
  131   2HB   LEU  18          2HB       LEU  18  -2.341  -0.198  -0.198
  132    HG   LEU  18           HG       LEU  18  -5.298  -0.040  -0.040
  133   1HD1  LEU  18          3HD2      LEU  18  -4.776  -0.849  -0.849
  134   2HD1  LEU  18          1HD2      LEU  18  -3.865  -2.196  -2.196
  135   3HD1  LEU  18          2HD2      LEU  18  -5.618  -2.057  -2.057
  136   1HD2  LEU  18          2HD1      LEU  18  -3.827  -0.963  -0.963
  137   2HD2  LEU  18          3HD1      LEU  18  -4.944  -2.190  -2.190
  138   3HD2  LEU  18          1HD1      LEU  18  -3.226  -2.208  -2.208
  139    H    GLU  19           H        GLU  19  -3.725   3.482   3.482
  140    HA   GLU  19           HA       GLU  19  -1.151   4.389   4.389
  141   1HB   GLU  19          1HB       GLU  19  -3.659   4.468   4.468
  142   2HB   GLU  19          2HB       GLU  19  -3.841   5.886   5.886
  143   1HG   GLU  19          1HG       GLU  19  -1.553   6.642   6.642
  144   2HG   GLU  19          2HG       GLU  19  -2.222   5.547   5.547
  145    H    ASP  20           H        ASP  20  -1.500   4.265   4.265
  146    HA   ASP  20           HA       ASP  20  -0.318   7.040   7.040
  147   1HB   ASP  20          1HB       ASP  20  -2.867   6.608   6.608
  148   2HB   ASP  20          2HB       ASP  20  -1.944   5.970   5.970
  149    H    LYS  21           H        LYS  21  -0.840   3.896   3.896
  150    HA   LYS  21           HA       LYS  21   1.640   4.043   4.043
  151   1HB   LYS  21          1HB       LYS  21   0.531   2.241   2.241
  152   2HB   LYS  21          2HB       LYS  21  -0.565   2.154   2.154
  153   1HG   LYS  21          1HG       LYS  21   2.292   0.957   0.957
  154   2HG   LYS  21          2HG       LYS  21   0.942   0.052   0.052
  155   1HD   LYS  21          1HD       LYS  21   0.303   1.199   1.199
  156   2HD   LYS  21          2HD       LYS  21   1.790   0.231   0.231
  157   1HE   LYS  21          1HE       LYS  21   0.072  -1.330  -1.330
  158   2HE   LYS  21          2HE       LYS  21  -1.038  -0.705  -0.705
  159   1HZ   LYS  21          2HZ       LYS  21   0.986  -1.349  -1.349
  160   2HZ   LYS  21          3HZ       LYS  21   1.276  -2.453  -2.453
  161   3HZ   LYS  21          1HZ       LYS  21  -0.206  -2.452  -2.452
  162    H    ALA  22           H        ALA  22   0.872   3.122   3.122
  163    HA   ALA  22           HA       ALA  22   3.404   1.611   1.611
  164   1HB   ALA  22          2HB       ALA  22   1.307   1.177   1.177
  165   2HB   ALA  22          3HB       ALA  22   1.377   2.818   2.818
  166   3HB   ALA  22          1HB       ALA  22   2.638   1.626   1.626
  167    H    ARG  23           H        ARG  23   2.418   4.930   4.930
  168    HA   ARG  23           HA       ARG  23   4.635   5.855   5.855
  169   1HB   ARG  23          1HB       ARG  23   2.710   7.087   7.087
  170   2HB   ARG  23          2HB       ARG  23   4.170   8.011   8.011
  171   1HG   ARG  23          1HG       ARG  23   2.277   8.740   8.740
  172   2HG   ARG  23          2HG       ARG  23   3.635   8.135   8.135
  173   1HD   ARG  23          1HD       ARG  23   1.622   6.017   6.017
  174   2HD   ARG  23          2HD       ARG  23   0.968   7.314   7.314
  175    HE   ARG  23           HE       ARG  23   3.313   5.518   5.518
  176   1HH1  ARG  23          2HH2      ARG  23   1.072   7.982   7.982
  177   2HH1  ARG  23          1HH2      ARG  23   1.506   7.751   7.751
  178   1HH2  ARG  23          1HH1      ARG  23   3.720   5.332   5.332
  179   2HH2  ARG  23          2HH1      ARG  23   2.946   6.317   6.317
  180    H    GLU  24           H        GLU  24   4.354   5.414   5.414
  181    HA   GLU  24           HA       GLU  24   7.016   6.642   6.642
  182   1HB   GLU  24          1HB       GLU  24   5.468   4.721   4.721
  183   2HB   GLU  24          2HB       GLU  24   6.646   5.918   5.918
  184   1HG   GLU  24          1HG       GLU  24   5.102   7.749   7.749
  185   2HG   GLU  24          2HG       GLU  24   4.094   6.923   6.923
  186    H    LEU  25           H        LEU  25   5.759   3.360   3.360
  187    HA   LEU  25           HA       LEU  25   8.352   2.030   2.030
  188   1HB   LEU  25          1HB       LEU  25   6.648   0.442   0.442
  189   2HB   LEU  25          2HB       LEU  25   5.639   1.291   1.291
  190    HG   LEU  25           HG       LEU  25   8.102  -0.117  -0.117
  191   1HD1  LEU  25          2HD1      LEU  25   7.157  -1.769  -1.769
  192   2HD1  LEU  25          3HD1      LEU  25   5.547  -1.625  -1.625
  193   3HD1  LEU  25          1HD1      LEU  25   6.906  -2.317  -2.317
  194   1HD2  LEU  25          2HD2      LEU  25   5.201   0.206   0.206
  195   2HD2  LEU  25          3HD2      LEU  25   6.647   1.074   1.074
  196   3HD2  LEU  25          1HD2      LEU  25   6.506  -0.664  -0.664
  197    H    ILE  26           H        ILE  26   7.022   3.751   3.751
  198    HA   ILE  26           HA       ILE  26   8.675   2.359   2.359
  199    HB   ILE  26           HB       ILE  26   6.832   4.755   4.755
  200   1HG1  ILE  26          1HG1      ILE  26   7.034   2.784   2.784
  201   2HG1  ILE  26          2HG1      ILE  26   6.328   2.250   2.250
  202   1HG2  ILE  26          2HG2      ILE  26   8.818   5.819   5.819
  203   2HG2  ILE  26          3HG2      ILE  26   8.881   4.461   4.461
  204   3HG2  ILE  26          1HG2      ILE  26   7.505   5.585   5.585
  205   1HD1  ILE  26          2HD1      ILE  26   4.598   4.084   4.084
  206   2HD1  ILE  26          3HD1      ILE  26   5.213   4.595   4.595
  207   3HD1  ILE  26          1HD1      ILE  26   4.511   2.981   2.981
  208    H    SER  27           H        SER  27   9.142   5.106   5.106
  209    HA   SER  27           HA       SER  27  11.702   5.883   5.883
  210   1HB   SER  27          1HB       SER  27  10.950   7.629   7.629
  211   2HB   SER  27          2HB       SER  27  10.268   6.579   6.579
  212    HG   SER  27           HG       SER  27  12.958   7.384   7.384
  213    H    ARG  28           H        ARG  28  10.758   3.619   3.619
  214    HA   ARG  28           HA       ARG  28  13.547   2.789   2.789
  215   1HB   ARG  28          1HB       ARG  28  11.652   2.290   2.290
  216   2HB   ARG  28          2HB       ARG  28  10.808   1.375   1.375
  217   1HG   ARG  28          1HG       ARG  28  13.576   0.290   0.290
  218   2HG   ARG  28          2HG       ARG  28  12.586   0.349   0.349
  219   1HD   ARG  28          1HD       ARG  28  10.991  -1.199  -1.199
  220   2HD   ARG  28          2HD       ARG  28  11.346  -0.789  -0.789
  221    HE   ARG  28           HE       ARG  28  13.195  -2.278  -2.278
  222   1HH1  ARG  28          2HH2      ARG  28  12.154  -1.814  -1.814
  223   2HH1  ARG  28          1HH2      ARG  28  13.254  -3.159  -3.159
  224   1HH2  ARG  28          1HH1      ARG  28  14.360  -3.716  -3.716
  225   2HH2  ARG  28          2HH1      ARG  28  14.456  -4.197  -4.197
  226    H    ILE  29           H        ILE  29  11.368   2.214   2.214
  227    HA   ILE  29           HA       ILE  29  12.716  -0.385  -0.385
  228    HB   ILE  29           HB       ILE  29  10.297   1.161   1.161
  229   1HG1  ILE  29          1HG1      ILE  29   9.259  -0.452  -0.452
  230   2HG1  ILE  29          2HG1      ILE  29   9.597  -1.526  -1.526
  231   1HG2  ILE  29          2HG2      ILE  29  11.499   0.661   0.661
  232   2HG2  ILE  29          3HG2      ILE  29  11.630  -1.056  -1.056
  233   3HG2  ILE  29          1HG2      ILE  29  10.052  -0.306  -0.306
  234   1HD1  ILE  29          2HD1      ILE  29  11.722  -2.343  -2.343
  235   2HD1  ILE  29          3HD1      ILE  29  11.363  -1.349  -1.349
  236   3HD1  ILE  29          1HD1      ILE  29  10.267  -2.662  -2.662
  237    H    LYS  30           H        LYS  30  12.768   2.966   2.966
  238    HA   LYS  30           HA       LYS  30  14.067   2.629   2.629
  239   1HB   LYS  30          1HB       LYS  30  14.661   5.048   5.048
  240   2HB   LYS  30          2HB       LYS  30  12.988   4.779   4.779
  241   1HG   LYS  30          1HG       LYS  30  13.848   6.245   6.245
  242   2HG   LYS  30          2HG       LYS  30  13.839   4.660   4.660
  243   1HD   LYS  30          1HD       LYS  30  15.963   5.393   5.393
  244   2HD   LYS  30          2HD       LYS  30  16.403   4.638   4.638
  245   1HE   LYS  30          1HE       LYS  30  15.975   6.903   6.903
  246   2HE   LYS  30          2HE       LYS  30  15.737   7.648   7.648
  247   1HZ   LYS  30          2HZ       LYS  30  18.158   6.031   6.031
  248   2HZ   LYS  30          3HZ       LYS  30  18.078   7.596   7.596
  249   3HZ   LYS  30          1HZ       LYS  30  17.913   7.329   7.329
  250    H    GLN  31           H        GLN  31  15.216   2.731   2.731
  251    HA   GLN  31           HA       GLN  31  18.073   2.935   2.935
  252   1HB   GLN  31          1HB       GLN  31  16.665   3.996   3.996
  253   2HB   GLN  31          2HB       GLN  31  17.454   2.615   2.615
  254   1HG   GLN  31          1HG       GLN  31  19.671   3.707   3.707
  255   2HG   GLN  31          2HG       GLN  31  18.709   5.161   5.161
  256   1HE2  GLN  31          2HE2      GLN  31  19.321   5.351   5.351
  257   2HE2  GLN  31          1HE2      GLN  31  18.070   5.760   5.760
  258    H    SER  32           H        SER  32  16.656   0.552   0.552
  259    HA   SER  32           HA       SER  32  18.615  -1.382  -1.382
  260   1HB   SER  32          1HB       SER  32  15.711  -2.099  -2.099
  261   2HB   SER  32          2HB       SER  32  17.171  -2.734  -2.734
  262    HG   SER  32           HG       SER  32  15.959  -0.180  -0.180
  263    H    GLU  33           H        GLU  33  17.663  -0.395  -0.395
  264    HA   GLU  33           HA       GLU  33  16.807  -3.109  -3.109
  265   1HB   GLU  33          1HB       GLU  33  15.424  -0.484  -0.484
  266   2HB   GLU  33          2HB       GLU  33  15.751  -0.958  -0.958
  267   1HG   GLU  33          1HG       GLU  33  14.634  -3.340  -3.340
  268   2HG   GLU  33          2HG       GLU  33  13.865  -2.239  -2.239
  269    H    LEU  34           H        LEU  34  19.413  -1.774  -1.774
  270    HA   LEU  34           HA       LEU  34  20.210  -0.919  -0.919
  271   1HB   LEU  34          1HB       LEU  34  22.560  -1.550  -1.550
  272   2HB   LEU  34          2HB       LEU  34  21.741  -0.478  -0.478
  273    HG   LEU  34           HG       LEU  34  21.701  -3.478  -3.478
  274   1HD1  LEU  34          2HD1      LEU  34  24.089  -2.950  -2.950
  275   2HD1  LEU  34          3HD1      LEU  34  24.104  -1.612  -1.612
  276   3HD1  LEU  34          1HD1      LEU  34  23.921  -3.293  -3.293
  277   1HD2  LEU  34          2HD2      LEU  34  21.806  -0.976  -0.976
  278   2HD2  LEU  34          3HD2      LEU  34  20.404  -2.039  -2.039
  279   3HD2  LEU  34          1HD2      LEU  34  21.818  -2.666  -2.666
  280    H    SER  35           H        SER  35  19.664  -4.045  -4.045
  281    HA   SER  35           HA       SER  35  19.989  -6.216  -6.216
  282   1HB   SER  35          1HB       SER  35  19.052  -4.543  -4.543
  283   2HB   SER  35          2HB       SER  35  19.783  -6.074  -6.074
  284    HG   SER  35           HG       SER  35  17.344  -5.628  -5.628
  285    H    ALA  36           H        ALA  36  22.253  -4.446  -4.446
  286    HA   ALA  36           HA       ALA  36  24.276  -4.896  -4.896
  287   1HB   ALA  36          2HB       ALA  36  24.567  -3.398  -3.398
  288   2HB   ALA  36          3HB       ALA  36  24.576  -4.812  -4.812
  289   3HB   ALA  36          1HB       ALA  36  25.901  -4.565  -4.565
  290    H    LYS  37           H        LYS  37  23.816  -6.784  -6.784
  291    HA   LYS  37           HA       LYS  37  25.026  -9.152  -9.152
  292   1HB   LYS  37          1HB       LYS  37  25.877  -9.984  -9.984
  293   2HB   LYS  37          2HB       LYS  37  26.425  -8.330  -8.330
  294   1HG   LYS  37          1HG       LYS  37  24.863  -7.449  -7.449
  295   2HG   LYS  37          2HG       LYS  37  23.826  -8.871  -8.871
  296   1HD   LYS  37          1HD       LYS  37  25.265 -10.111 -10.111
  297   2HD   LYS  37          2HD       LYS  37  26.707  -9.185  -9.185
  298   1HE   LYS  37          1HE       LYS  37  26.207  -7.362  -7.362
  299   2HE   LYS  37          2HE       LYS  37  24.455  -7.581  -7.581
  300   1HZ   LYS  37          1HZ       LYS  37  25.845  -9.823  -9.823
  301   2HZ   LYS  37          2HZ       LYS  37  25.934  -8.391  -8.391
  302   3HZ   LYS  37          3HZ       LYS  37  24.435  -9.039  -9.039
  303    H    MET  38           H        MET  38  22.539  -8.068  -8.068
  304    HA   MET  38           HA       MET  38  21.455 -10.804 -10.804
  305   1HB   MET  38          1HB       MET  38  20.695  -9.562  -9.562
  306   2HB   MET  38          2HB       MET  38  20.916  -8.041  -8.041
  307   1HG   MET  38          1HG       MET  38  18.597  -7.987  -7.987
  308   2HG   MET  38          2HG       MET  38  18.643  -8.654  -8.654
  309   1HE   MET  38          2HE       MET  38  16.376  -9.416  -9.416
  310   2HE   MET  38          1HE       MET  38  15.743 -10.756 -10.756
  311   3HE   MET  38          3HE       MET  38  16.020  -9.141  -9.141

  Start of MODEL   25
    1   1H    THR   1          3H        THR   1 -24.854  -8.315  -8.315
    2   2H    THR   1          1H        THR   1 -23.444  -7.422  -7.422
    3   3H    THR   1          2H        THR   1 -23.371  -9.100  -9.100
    4    HA   THR   1           HA       THR   1 -23.839  -9.183  -9.183
    5    HB   THR   1           HB       THR   1 -21.631  -7.702  -7.702
    6    HG1  THR   1           HG1      THR   1 -20.767  -8.210  -8.210
    7   1HG2  THR   1          3HG2      THR   1 -22.753  -6.175  -6.175
    8   2HG2  THR   1          1HG2      THR   1 -21.115  -5.991  -5.991
    9   3HG2  THR   1          2HG2      THR   1 -22.511  -5.475  -5.475
   10    HA   PRO   2           HA       PRO   2 -26.787  -6.732  -6.732
   11   1HB   PRO   2          1HB       PRO   2 -24.522  -6.059  -6.059
   12   2HB   PRO   2          2HB       PRO   2 -26.269  -6.688  -6.688
   13   1HG   PRO   2          1HG       PRO   2 -24.035  -8.388  -8.388
   14   2HG   PRO   2          2HG       PRO   2 -25.737  -8.809  -8.809
   15   1HD   PRO   2          1HD       PRO   2 -23.060  -7.763  -7.763
   16   2HD   PRO   2          2HD       PRO   2 -24.064  -9.204  -9.204
   17    H    ASP   3           H        ASP   3 -26.854  -4.683  -4.683
   18    HA   ASP   3           HA       ASP   3 -26.641  -2.390  -2.390
   19   1HB   ASP   3          1HB       ASP   3 -27.919  -2.054  -2.054
   20   2HB   ASP   3          2HB       ASP   3 -26.682  -2.773  -2.773
   21    H    VAL   4           H        VAL   4 -24.992  -2.056  -2.056
   22    HA   VAL   4           HA       VAL   4 -22.290  -1.747  -1.747
   23    HB   VAL   4           HB       VAL   4 -22.772  -3.189  -3.189
   24   1HG1  VAL   4          1HG2      VAL   4 -22.336  -0.437  -0.437
   25   2HG1  VAL   4          2HG2      VAL   4 -22.271  -2.021  -2.021
   26   3HG1  VAL   4          3HG2      VAL   4 -23.788  -1.457  -1.457
   27   1HG2  VAL   4          2HG1      VAL   4 -20.441  -2.844  -2.844
   28   2HG2  VAL   4          3HG1      VAL   4 -20.450  -2.888  -2.888
   29   3HG2  VAL   4          1HG1      VAL   4 -20.293  -1.327  -1.327
   30    H    SER   5           H        SER   5 -24.390   0.121   0.121
   31    HA   SER   5           HA       SER   5 -23.020   2.532   2.532
   32   1HB   SER   5          1HB       SER   5 -25.873   1.991   1.991
   33   2HB   SER   5          2HB       SER   5 -25.309   3.591   3.591
   34    HG   SER   5           HG       SER   5 -25.951   3.898   3.898
   35    H    SER   6           H        SER   6 -23.978   1.005   1.005
   36    HA   SER   6           HA       SER   6 -21.835   2.749   2.749
   37   1HB   SER   6          1HB       SER   6 -24.664   2.198   2.198
   38   2HB   SER   6          2HB       SER   6 -23.367   2.526   2.526
   39    HG   SER   6           HG       SER   6 -22.992   4.474   4.474
   40    H    ALA   7           H        ALA   7 -21.491   0.309   0.309
   41    HA   ALA   7           HA       ALA   7 -21.104  -1.486  -1.486
   42   1HB   ALA   7          2HB       ALA   7 -22.168  -2.525  -2.525
   43   2HB   ALA   7          3HB       ALA   7 -20.766  -2.061  -2.061
   44   3HB   ALA   7          1HB       ALA   7 -20.587  -3.273  -3.273
   45    H    LEU   8           H        LEU   8 -19.439   0.581   0.581
   46    HA   LEU   8           HA       LEU   8 -16.728  -0.373  -0.373
   47   1HB   LEU   8          1HB       LEU   8 -17.335   1.179   1.179
   48   2HB   LEU   8          2HB       LEU   8 -17.605   2.472   2.472
   49    HG   LEU   8           HG       LEU   8 -14.886   1.070   1.070
   50   1HD1  LEU   8          2HD1      LEU   8 -15.473   1.772   1.772
   51   2HD1  LEU   8          3HD1      LEU   8 -15.811   3.429   3.429
   52   3HD1  LEU   8          1HD1      LEU   8 -14.160   2.771   2.771
   53   1HD2  LEU   8          2HD2      LEU   8 -15.733   3.926   3.926
   54   2HD2  LEU   8          3HD2      LEU   8 -15.171   2.612   2.612
   55   3HD2  LEU   8          1HD2      LEU   8 -14.048   3.342   3.342
   56    H    ASP   9           H        ASP   9 -19.011   1.857   1.857
   57    HA   ASP   9           HA       ASP   9 -17.334   2.998   2.998
   58   1HB   ASP   9          1HB       ASP   9 -19.753   3.667   3.667
   59   2HB   ASP   9          2HB       ASP   9 -20.280   2.061   2.061
   60    H    LYS  10           H        LYS  10 -18.691  -0.192  -0.192
   61    HA   LYS  10           HA       LYS  10 -18.397  -0.984  -0.984
   62   1HB   LYS  10          1HB       LYS  10 -18.121  -2.673  -2.673
   63   2HB   LYS  10          2HB       LYS  10 -18.206  -3.385  -3.385
   64   1HG   LYS  10          1HG       LYS  10 -20.420  -1.433  -1.433
   65   2HG   LYS  10          2HG       LYS  10 -20.423  -3.083  -3.083
   66   1HD   LYS  10          1HD       LYS  10 -20.521  -3.920  -3.920
   67   2HD   LYS  10          2HD       LYS  10 -20.459  -2.245  -2.245
   68   1HE   LYS  10          1HE       LYS  10 -22.591  -1.663  -1.663
   69   2HE   LYS  10          2HE       LYS  10 -22.637  -3.207  -3.207
   70   1HZ   LYS  10          1HZ       LYS  10 -22.421  -4.094  -4.094
   71   2HZ   LYS  10          2HZ       LYS  10 -23.228  -2.649  -2.649
   72   3HZ   LYS  10          3HZ       LYS  10 -23.895  -3.784  -3.784
   73    H    LEU  11           H        LEU  11 -16.074  -1.017  -1.017
   74    HA   LEU  11           HA       LEU  11 -13.907  -1.989  -1.989
   75   1HB   LEU  11          1HB       LEU  11 -13.534  -0.650  -0.650
   76   2HB   LEU  11          2HB       LEU  11 -12.369  -1.634  -1.634
   77    HG   LEU  11           HG       LEU  11 -15.011  -2.646  -2.646
   78   1HD1  LEU  11          2HD1      LEU  11 -13.311  -1.968  -1.968
   79   2HD1  LEU  11          3HD1      LEU  11 -12.089  -3.015  -3.015
   80   3HD1  LEU  11          1HD1      LEU  11 -13.536  -3.726  -3.726
   81   1HD2  LEU  11          2HD2      LEU  11 -12.721  -4.242  -4.242
   82   2HD2  LEU  11          3HD2      LEU  11 -14.401  -4.091  -4.091
   83   3HD2  LEU  11          1HD2      LEU  11 -14.066  -4.967  -4.967
   84    H    LYS  12           H        LYS  12 -14.038   0.983   0.983
   85    HA   LYS  12           HA       LYS  12 -12.749   2.950   2.950
   86   1HB   LYS  12          1HB       LYS  12 -14.933   3.398   3.398
   87   2HB   LYS  12          2HB       LYS  12 -14.363   2.645   2.645
   88   1HG   LYS  12          1HG       LYS  12 -13.999   4.934   4.934
   89   2HG   LYS  12          2HG       LYS  12 -12.409   4.498   4.498
   90   1HD   LYS  12          1HD       LYS  12 -13.820   5.324   5.324
   91   2HD   LYS  12          2HD       LYS  12 -14.504   6.363   6.363
   92   1HE   LYS  12          1HE       LYS  12 -12.534   7.562   7.562
   93   2HE   LYS  12          2HE       LYS  12 -11.535   6.101   6.101
   94   1HZ   LYS  12          1HZ       LYS  12 -12.179   6.044   6.044
   95   2HZ   LYS  12          2HZ       LYS  12 -12.360   7.699   7.699
   96   3HZ   LYS  12          3HZ       LYS  12 -10.888   6.959   6.959
   97    H    GLU  13           H        GLU  13 -12.676   2.396   2.396
   98    HA   GLU  13           HA       GLU  13  -9.968   2.736   2.736
   99   1HB   GLU  13          1HB       GLU  13 -12.099   1.799   1.799
  100   2HB   GLU  13          2HB       GLU  13 -11.306   0.259   0.259
  101   1HG   GLU  13          1HG       GLU  13 -10.824   1.634   1.634
  102   2HG   GLU  13          2HG       GLU  13  -9.486   0.813   0.813
  103    H    PHE  14           H        PHE  14 -11.075  -0.626  -0.626
  104    HA   PHE  14           HA       PHE  14  -8.588  -1.850  -1.850
  105   1HB   PHE  14          1HB       PHE  14 -10.368  -3.400  -3.400
  106   2HB   PHE  14          2HB       PHE  14 -11.258  -2.545  -2.545
  107    HD1  PHE  14           HD2      PHE  14  -8.003  -4.480  -4.480
  108    HD2  PHE  14           HD1      PHE  14 -11.417  -3.508  -3.508
  109    HE1  PHE  14           HE2      PHE  14  -7.289  -6.131  -6.131
  110    HE2  PHE  14           HE1      PHE  14 -10.704  -5.163  -5.163
  111    HZ   PHE  14           HZ       PHE  14  -8.642  -6.484  -6.484
  112    H    GLY  15           H        GLY  15  -9.723   0.091   0.091
  113   1HA   GLY  15          1HA       GLY  15  -7.729  -1.213  -1.213
  114   2HA   GLY  15          2HA       GLY  15  -8.853   0.101   0.101
  115    H    ASN  16           H        ASN  16  -8.383   1.869   1.869
  116    HA   ASN  16           HA       ASN  16  -5.957   3.261   3.261
  117   1HB   ASN  16          1HB       ASN  16  -7.755   4.352   4.352
  118   2HB   ASN  16          2HB       ASN  16  -7.609   3.207   3.207
  119   1HD2  ASN  16          1HD2      ASN  16  -5.861   5.984   5.984
  120   2HD2  ASN  16          2HD2      ASN  16  -7.470   5.081   5.081
  121    H    THR  17           H        THR  17  -6.414   0.547   0.547
  122    HA   THR  17           HA       THR  17  -4.084   0.867   0.867
  123    HB   THR  17           HB       THR  17  -5.396  -1.719  -1.719
  124    HG1  THR  17           HG1      THR  17  -6.339  -1.701  -1.701
  125   1HG2  THR  17          3HG2      THR  17  -3.497  -1.476  -1.476
  126   2HG2  THR  17          1HG2      THR  17  -4.439  -2.922  -2.922
  127   3HG2  THR  17          2HG2      THR  17  -3.137  -2.375  -2.375
  128    H    LEU  18           H        LEU  18  -4.343  -0.218  -0.218
  129    HA   LEU  18           HA       LEU  18  -1.487  -1.082  -1.082
  130   1HB   LEU  18          1HB       LEU  18  -2.935  -0.167  -0.167
  131   2HB   LEU  18          2HB       LEU  18  -1.857  -1.531  -1.531
  132    HG   LEU  18           HG       LEU  18  -4.845  -1.341  -1.341
  133   1HD1  LEU  18          2HD1      LEU  18  -4.090  -2.058  -2.058
  134   2HD1  LEU  18          3HD1      LEU  18  -3.133  -3.383  -3.383
  135   3HD1  LEU  18          1HD1      LEU  18  -4.908  -3.387  -3.387
  136   1HD2  LEU  18          2HD2      LEU  18  -2.953  -3.539  -3.539
  137   2HD2  LEU  18          3HD2      LEU  18  -3.948  -2.410  -2.410
  138   3HD2  LEU  18          1HD2      LEU  18  -4.735  -3.647  -3.647
  139    H    GLU  19           H        GLU  19  -3.267   1.829   1.829
  140    HA   GLU  19           HA       GLU  19  -0.626   3.138   3.138
  141   1HB   GLU  19          1HB       GLU  19  -2.982   3.290   3.290
  142   2HB   GLU  19          2HB       GLU  19  -3.420   4.434   4.434
  143   1HG   GLU  19          1HG       GLU  19  -2.704   5.798   5.798
  144   2HG   GLU  19          2HG       GLU  19  -1.368   5.889   5.889
  145    H    ASP  20           H        ASP  20  -1.316   2.378   2.378
  146    HA   ASP  20           HA       ASP  20  -0.425   5.084   5.084
  147   1HB   ASP  20          1HB       ASP  20  -2.991   4.414   4.414
  148   2HB   ASP  20          2HB       ASP  20  -2.265   3.313   3.313
  149    H    LYS  21           H        LYS  21  -0.774   1.636   1.636
  150    HA   LYS  21           HA       LYS  21   1.478   1.577   1.577
  151   1HB   LYS  21          1HB       LYS  21   0.362  -0.409  -0.409
  152   2HB   LYS  21          2HB       LYS  21  -0.479  -0.308  -0.308
  153   1HG   LYS  21          1HG       LYS  21   2.459  -1.287  -1.287
  154   2HG   LYS  21          2HG       LYS  21   1.088  -2.377  -2.377
  155   1HD   LYS  21          1HD       LYS  21   1.007  -0.680  -0.680
  156   2HD   LYS  21          2HD       LYS  21   2.443  -1.717  -1.717
  157   1HE   LYS  21          1HE       LYS  21  -0.009  -3.189  -3.189
  158   2HE   LYS  21          2HE       LYS  21  -0.192  -2.579  -2.579
  159   1HZ   LYS  21          2HZ       LYS  21   2.321  -3.469  -3.469
  160   2HZ   LYS  21          3HZ       LYS  21   1.682  -4.540  -4.540
  161   3HZ   LYS  21          1HZ       LYS  21   0.981  -4.404  -4.404
  162    H    ALA  22           H        ALA  22   1.152   1.218   1.218
  163    HA   ALA  22           HA       ALA  22   3.960   0.284   0.284
  164   1HB   ALA  22          2HB       ALA  22   2.128  -0.139  -0.139
  165   2HB   ALA  22          3HB       ALA  22   1.941   1.610   1.610
  166   3HB   ALA  22          1HB       ALA  22   3.444   0.786   0.786
  167    H    ARG  23           H        ARG  23   2.310   3.339   3.339
  168    HA   ARG  23           HA       ARG  23   4.365   5.161   5.161
  169   1HB   ARG  23          1HB       ARG  23   2.436   5.237   5.237
  170   2HB   ARG  23          2HB       ARG  23   3.441   6.606   6.606
  171   1HG   ARG  23          1HG       ARG  23   1.904   5.527   5.527
  172   2HG   ARG  23          2HG       ARG  23   0.845   5.981   5.981
  173   1HD   ARG  23          1HD       ARG  23   1.222   7.888   7.888
  174   2HD   ARG  23          2HD       ARG  23   1.831   8.281   8.281
  175    HE   ARG  23           HE       ARG  23   4.152   7.861   7.861
  176   1HH1  ARG  23          2HH2      ARG  23   1.820   7.735   7.735
  177   2HH1  ARG  23          1HH2      ARG  23   3.120   7.983   7.983
  178   1HH2  ARG  23          1HH1      ARG  23   5.489   8.124   8.124
  179   2HH2  ARG  23          2HH1      ARG  23   5.115   8.191   8.191
  180    H    GLU  24           H        GLU  24   3.963   3.782   3.782
  181    HA   GLU  24           HA       GLU  24   6.444   5.125   5.125
  182   1HB   GLU  24          1HB       GLU  24   5.009   2.743   2.743
  183   2HB   GLU  24          2HB       GLU  24   6.011   3.940   3.940
  184   1HG   GLU  24          1HG       GLU  24   4.284   5.616   5.616
  185   2HG   GLU  24          2HG       GLU  24   3.453   4.927   4.927
  186    H    LEU  25           H        LEU  25   5.581   1.828   1.828
  187    HA   LEU  25           HA       LEU  25   8.221   0.671   0.671
  188   1HB   LEU  25          1HB       LEU  25   6.638  -1.010  -1.010
  189   2HB   LEU  25          2HB       LEU  25   5.788  -0.078  -0.078
  190    HG   LEU  25           HG       LEU  25   8.539  -1.182  -1.182
  191   1HD1  LEU  25          2HD1      LEU  25   7.362  -3.097  -3.097
  192   2HD1  LEU  25          3HD1      LEU  25   5.953  -2.888  -2.888
  193   3HD1  LEU  25          1HD1      LEU  25   7.525  -3.387  -3.387
  194   1HD2  LEU  25          2HD2      LEU  25   5.929  -0.790  -0.790
  195   2HD2  LEU  25          3HD2      LEU  25   7.406   0.200   0.200
  196   3HD2  LEU  25          1HD2      LEU  25   7.444  -1.478  -1.478
  197    H    ILE  26           H        ILE  26   7.097   2.737   2.737
  198    HA   ILE  26           HA       ILE  26   9.258   1.983   1.983
  199    HB   ILE  26           HB       ILE  26   7.048   4.025   4.025
  200   1HG1  ILE  26          1HG1      ILE  26   8.025   2.831   2.831
  201   2HG1  ILE  26          2HG1      ILE  26   7.310   1.740   1.740
  202   1HG2  ILE  26          2HG2      ILE  26   8.969   5.630   5.630
  203   2HG2  ILE  26          3HG2      ILE  26   9.514   4.624   4.624
  204   3HG2  ILE  26          1HG2      ILE  26   7.964   5.490   5.490
  205   1HD1  ILE  26          2HD1      ILE  26   5.188   3.098   3.098
  206   2HD1  ILE  26          3HD1      ILE  26   5.830   4.173   4.173
  207   3HD1  ILE  26          1HD1      ILE  26   5.546   2.460   2.460
  208    H    SER  27           H        SER  27   8.884   4.365   4.365
  209    HA   SER  27           HA       SER  27  11.457   5.696   5.696
  210   1HB   SER  27          1HB       SER  27  10.957   7.041   7.041
  211   2HB   SER  27          2HB       SER  27   9.368   6.298   6.298
  212    HG   SER  27           HG       SER  27  10.771   6.325   6.325
  213    H    ARG  28           H        ARG  28  10.495   2.994   2.994
  214    HA   ARG  28           HA       ARG  28  13.208   2.416   2.416
  215   1HB   ARG  28          1HB       ARG  28  11.445   1.294   1.294
  216   2HB   ARG  28          2HB       ARG  28  10.575   0.885   0.885
  217   1HG   ARG  28          1HG       ARG  28  12.755  -0.728  -0.728
  218   2HG   ARG  28          2HG       ARG  28  12.973  -0.539  -0.539
  219   1HD   ARG  28          1HD       ARG  28  10.349  -1.501  -1.501
  220   2HD   ARG  28          2HD       ARG  28  11.604  -2.581  -2.581
  221    HE   ARG  28           HE       ARG  28  10.845  -0.535  -0.535
  222   1HH1  ARG  28          2HH2      ARG  28   9.727  -3.535  -3.535
  223   2HH1  ARG  28          1HH2      ARG  28   8.753  -3.941  -3.941
  224   1HH2  ARG  28          1HH1      ARG  28   9.769  -1.040  -1.040
  225   2HH2  ARG  28          2HH1      ARG  28   8.772  -2.589  -2.589
  226    H    ILE  29           H        ILE  29  11.615   1.877   1.877
  227    HA   ILE  29           HA       ILE  29  13.433  -0.391  -0.391
  228    HB   ILE  29           HB       ILE  29  11.122   1.063   1.063
  229   1HG1  ILE  29          1HG1      ILE  29  10.061  -0.831  -0.831
  230   2HG1  ILE  29          2HG1      ILE  29  10.842  -1.625  -1.625
  231   1HG2  ILE  29          2HG2      ILE  29  12.816   1.070   1.070
  232   2HG2  ILE  29          3HG2      ILE  29  13.078  -0.678  -0.678
  233   3HG2  ILE  29          1HG2      ILE  29  11.519  -0.041  -0.041
  234   1HD1  ILE  29          2HD1      ILE  29  12.754  -2.395  -2.395
  235   2HD1  ILE  29          3HD1      ILE  29  11.943  -1.698  -1.698
  236   3HD1  ILE  29          1HD1      ILE  29  11.174  -3.017  -3.017
  237    H    LYS  30           H        LYS  30  13.224   3.034   3.034
  238    HA   LYS  30           HA       LYS  30  15.259   3.220   3.220
  239   1HB   LYS  30          1HB       LYS  30  14.905   5.483   5.483
  240   2HB   LYS  30          2HB       LYS  30  13.678   5.040   5.040
  241   1HG   LYS  30          1HG       LYS  30  16.202   4.966   4.966
  242   2HG   LYS  30          2HG       LYS  30  16.285   6.395   6.395
  243   1HD   LYS  30          1HD       LYS  30  14.170   7.247   7.247
  244   2HD   LYS  30          2HD       LYS  30  13.963   5.728   5.728
  245   1HE   LYS  30          1HE       LYS  30  15.036   7.224   7.224
  246   2HE   LYS  30          2HE       LYS  30  16.328   6.137   6.137
  247   1HZ   LYS  30          3HZ       LYS  30  16.576   7.982   7.982
  248   2HZ   LYS  30          1HZ       LYS  30  15.904   8.952   8.952
  249   3HZ   LYS  30          2HZ       LYS  30  17.329   8.110   8.110
  250    H    GLN  31           H        GLN  31  15.464   2.782   2.782
  251    HA   GLN  31           HA       GLN  31  18.449   3.285   3.285
  252   1HB   GLN  31          1HB       GLN  31  16.424   3.836   3.836
  253   2HB   GLN  31          2HB       GLN  31  17.120   2.370   2.370
  254   1HG   GLN  31          1HG       GLN  31  19.477   3.710   3.710
  255   2HG   GLN  31          2HG       GLN  31  18.452   5.122   5.122
  256   1HE2  GLN  31          2HE2      GLN  31  19.297   3.448   3.448
  257   2HE2  GLN  31          1HE2      GLN  31  19.885   2.717   2.717
  258    H    SER  32           H        SER  32  17.660   1.098   1.098
  259    HA   SER  32           HA       SER  32  19.575  -0.835  -0.835
  260   1HB   SER  32          1HB       SER  32  17.182  -1.078  -1.078
  261   2HB   SER  32          2HB       SER  32  16.889  -2.236  -2.236
  262    HG   SER  32           HG       SER  32  19.209  -2.936  -2.936
  263    H    GLU  33           H        GLU  33  19.478   0.331   0.331
  264    HA   GLU  33           HA       GLU  33  18.445  -1.874  -1.874
  265   1HB   GLU  33          1HB       GLU  33  17.767   1.003   1.003
  266   2HB   GLU  33          2HB       GLU  33  18.492   0.687   0.687
  267   1HG   GLU  33          1HG       GLU  33  16.547  -1.421  -1.421
  268   2HG   GLU  33          2HG       GLU  33  15.761  -0.035  -0.035
  269    H    LEU  34           H        LEU  34  21.087  -1.362  -1.362
  270    HA   LEU  34           HA       LEU  34  22.725  -0.738  -0.738
  271   1HB   LEU  34          1HB       LEU  34  24.695  -1.416  -1.416
  272   2HB   LEU  34          2HB       LEU  34  23.726  -0.160  -0.160
  273    HG   LEU  34           HG       LEU  34  23.063  -2.987  -2.987
  274   1HD1  LEU  34          2HD1      LEU  34  25.574  -3.065  -3.065
  275   2HD1  LEU  34          3HD1      LEU  34  25.696  -1.610  -1.610
  276   3HD1  LEU  34          1HD1      LEU  34  25.030  -3.121  -3.121
  277   1HD2  LEU  34          2HD2      LEU  34  23.436  -0.334  -0.334
  278   2HD2  LEU  34          3HD2      LEU  34  21.893  -1.106  -1.106
  279   3HD2  LEU  34          1HD2      LEU  34  22.955  -1.891  -1.891
  280    H    SER  35           H        SER  35  21.523  -3.536  -3.536
  281    HA   SER  35           HA       SER  35  21.827  -5.850  -5.850
  282   1HB   SER  35          1HB       SER  35  21.281  -6.539  -6.539
  283   2HB   SER  35          2HB       SER  35  20.816  -4.855  -4.855
  284    HG   SER  35           HG       SER  35  22.620  -6.216  -6.216
  285    H    ALA  36           H        ALA  36  24.070  -4.175  -4.175
  286    HA   ALA  36           HA       ALA  36  26.330  -5.316  -5.316
  287   1HB   ALA  36          2HB       ALA  36  26.324  -2.853  -2.853
  288   2HB   ALA  36          3HB       ALA  36  26.322  -3.201  -3.201
  289   3HB   ALA  36          1HB       ALA  36  27.735  -3.624  -3.624
  290    H    LYS  37           H        LYS  37  25.907  -4.771  -4.771
  291    HA   LYS  37           HA       LYS  37  26.270  -7.593  -7.593
  292   1HB   LYS  37          1HB       LYS  37  28.639  -6.838  -6.838
  293   2HB   LYS  37          2HB       LYS  37  28.823  -5.955  -5.955
  294   1HG   LYS  37          1HG       LYS  37  29.730  -7.946  -7.946
  295   2HG   LYS  37          2HG       LYS  37  28.051  -8.441  -8.441
  296   1HD   LYS  37          1HD       LYS  37  28.521 -10.197 -10.197
  297   2HD   LYS  37          2HD       LYS  37  28.712  -9.057  -9.057
  298   1HE   LYS  37          1HE       LYS  37  31.014  -9.285  -9.285
  299   2HE   LYS  37          2HE       LYS  37  31.125  -8.934  -8.934
  300   1HZ   LYS  37          3HZ       LYS  37  29.972 -11.520 -11.520
  301   2HZ   LYS  37          1HZ       LYS  37  31.548 -11.350 -11.350
  302   3HZ   LYS  37          2HZ       LYS  37  31.202 -11.086 -11.086
  303    H    MET  38           H        MET  38  24.662  -5.401  -5.401
  304    HA   MET  38           HA       MET  38  25.601  -4.582  -4.582
  305   1HB   MET  38          1HB       MET  38  24.752  -2.659  -2.659
  306   2HB   MET  38          2HB       MET  38  23.583  -3.569  -3.569
  307   1HG   MET  38          1HG       MET  38  21.893  -3.035  -3.035
  308   2HG   MET  38          2HG       MET  38  22.784  -3.739  -3.739
  309   1HE   MET  38          3HE       MET  38  20.846  -1.731  -1.731
  310   2HE   MET  38          2HE       MET  38  21.659  -1.200  -1.200
  311   3HE   MET  38          1HE       MET  38  21.294  -0.010  -0.010

  Start of MODEL   26
    1   1H    THR   1          3H        THR   1 -13.273  -6.202  -6.202
    2   2H    THR   1          1H        THR   1 -12.695  -4.927  -4.927
    3   3H    THR   1          2H        THR   1 -11.673  -6.196  -6.196
    4    HA   THR   1           HA       THR   1 -12.687  -7.701  -7.701
    5    HB   THR   1           HB       THR   1 -11.580  -5.290  -5.290
    6    HG1  THR   1           HG1      THR   1 -11.279  -6.528  -6.528
    7   1HG2  THR   1          3HG2      THR   1 -14.090  -5.928  -5.928
    8   2HG2  THR   1          1HG2      THR   1 -12.754  -4.853  -4.853
    9   3HG2  THR   1          2HG2      THR   1 -13.800  -4.399  -4.399
   10    HA   PRO   2           HA       PRO   2 -17.027  -8.062  -8.062
   11   1HB   PRO   2          1HB       PRO   2 -16.296  -7.935  -7.935
   12   2HB   PRO   2          2HB       PRO   2 -17.367  -9.176  -9.176
   13   1HG   PRO   2          1HG       PRO   2 -14.702  -9.720  -9.720
   14   2HG   PRO   2          2HG       PRO   2 -15.526 -10.186 -10.186
   15   1HD   PRO   2          1HD       PRO   2 -13.738  -7.853  -7.853
   16   2HD   PRO   2          2HD       PRO   2 -13.483  -8.939  -8.939
   17    H    ASP   3           H        ASP   3 -18.636  -7.437  -7.437
   18    HA   ASP   3           HA       ASP   3 -19.192  -4.623  -4.623
   19   1HB   ASP   3          1HB       ASP   3 -20.890  -6.403  -6.403
   20   2HB   ASP   3          2HB       ASP   3 -20.109  -6.320  -6.320
   21    H    VAL   4           H        VAL   4 -17.596  -3.317  -3.317
   22    HA   VAL   4           HA       VAL   4 -16.417  -3.140  -3.140
   23    HB   VAL   4           HB       VAL   4 -14.988  -3.614  -3.614
   24   1HG1  VAL   4          1HG2      VAL   4 -15.032  -0.515  -0.515
   25   2HG1  VAL   4          2HG2      VAL   4 -13.904  -1.574  -1.574
   26   3HG1  VAL   4          3HG2      VAL   4 -15.615  -1.622  -1.622
   27   1HG2  VAL   4          2HG1      VAL   4 -13.924  -3.289  -3.289
   28   2HG2  VAL   4          3HG1      VAL   4 -12.949  -2.589  -2.589
   29   3HG2  VAL   4          1HG1      VAL   4 -13.923  -1.527  -1.527
   30    H    SER   5           H        SER   5 -18.930  -2.046  -2.046
   31    HA   SER   5           HA       SER   5 -18.229   0.930   0.930
   32   1HB   SER   5          1HB       SER   5 -20.970  -0.263  -0.263
   33   2HB   SER   5          2HB       SER   5 -20.498   1.423   1.423
   34    HG   SER   5           HG       SER   5 -19.789  -0.801  -0.801
   35    H    SER   6           H        SER   6 -20.551  -1.460  -1.460
   36    HA   SER   6           HA       SER   6 -20.559   0.159   0.159
   37   1HB   SER   6          1HB       SER   6 -22.656  -1.197  -1.197
   38   2HB   SER   6          2HB       SER   6 -22.869  -0.078  -0.078
   39    HG   SER   6           HG       SER   6 -22.685  -2.894  -2.894
   40    H    ALA   7           H        ALA   7 -18.469  -1.604  -1.604
   41    HA   ALA   7           HA       ALA   7 -18.559  -3.434  -3.434
   42   1HB   ALA   7          2HB       ALA   7 -18.355  -4.679  -4.679
   43   2HB   ALA   7          3HB       ALA   7 -16.918  -3.723  -3.723
   44   3HB   ALA   7          1HB       ALA   7 -16.858  -4.860  -4.860
   45    H    LEU   8           H        LEU   8 -16.902  -0.919  -0.919
   46    HA   LEU   8           HA       LEU   8 -14.561  -0.890  -0.890
   47   1HB   LEU   8          1HB       LEU   8 -15.018   0.334   0.334
   48   2HB   LEU   8          2HB       LEU   8 -15.625   1.626   1.626
   49    HG   LEU   8           HG       LEU   8 -12.888   0.990   0.990
   50   1HD1  LEU   8          2HD1      LEU   8 -13.964   3.260   3.260
   51   2HD1  LEU   8          3HD1      LEU   8 -14.073   3.281   3.281
   52   3HD1  LEU   8          1HD1      LEU   8 -12.483   3.287   3.287
   53   1HD2  LEU   8          2HD2      LEU   8 -13.355   1.067   1.067
   54   2HD2  LEU   8          3HD2      LEU   8 -12.633  -0.264  -0.264
   55   3HD2  LEU   8          1HD2      LEU   8 -11.771   1.271   1.271
   56    H    ASP   9           H        ASP   9 -17.777   0.425   0.425
   57    HA   ASP   9           HA       ASP   9 -17.560   2.270   2.270
   58   1HB   ASP   9          1HB       ASP   9 -19.721   1.727   1.727
   59   2HB   ASP   9          2HB       ASP   9 -19.846   0.221   0.221
   60    H    LYS  10           H        LYS  10 -17.885  -1.232  -1.232
   61    HA   LYS  10           HA       LYS  10 -18.323  -1.370  -1.370
   62   1HB   LYS  10          1HB       LYS  10 -17.271  -3.258  -3.258
   63   2HB   LYS  10          2HB       LYS  10 -16.838  -3.694  -3.694
   64   1HG   LYS  10          1HG       LYS  10 -19.551  -3.164  -3.164
   65   2HG   LYS  10          2HG       LYS  10 -19.577  -3.621  -3.621
   66   1HD   LYS  10          1HD       LYS  10 -18.830  -5.858  -5.858
   67   2HD   LYS  10          2HD       LYS  10 -18.168  -5.377  -5.377
   68   1HE   LYS  10          1HE       LYS  10 -20.316  -5.205  -5.205
   69   2HE   LYS  10          2HE       LYS  10 -21.169  -4.912  -4.912
   70   1HZ   LYS  10          3HZ       LYS  10 -19.760  -7.465  -7.465
   71   2HZ   LYS  10          1HZ       LYS  10 -21.145  -7.262  -7.262
   72   3HZ   LYS  10          2HZ       LYS  10 -21.225  -7.099  -7.099
   73    H    LEU  11           H        LEU  11 -15.372  -0.961  -0.961
   74    HA   LEU  11           HA       LEU  11 -13.808  -0.858  -0.858
   75   1HB   LEU  11          1HB       LEU  11 -13.021  -0.483  -0.483
   76   2HB   LEU  11          2HB       LEU  11 -11.903  -0.116  -0.116
   77    HG   LEU  11           HG       LEU  11 -11.437  -2.329  -2.329
   78   1HD1  LEU  11          2HD1      LEU  11 -13.766  -2.909  -2.909
   79   2HD1  LEU  11          3HD1      LEU  11 -14.271  -3.146  -3.146
   80   3HD1  LEU  11          1HD1      LEU  11 -13.060  -4.225  -4.225
   81   1HD2  LEU  11          2HD2      LEU  11 -12.518  -2.550  -2.550
   82   2HD2  LEU  11          3HD2      LEU  11 -10.864  -2.110  -2.110
   83   3HD2  LEU  11          1HD2      LEU  11 -11.456  -3.748  -3.748
   84    H    LYS  12           H        LYS  12 -13.542   1.355   1.355
   85    HA   LYS  12           HA       LYS  12 -13.220   3.715   3.715
   86   1HB   LYS  12          1HB       LYS  12 -15.696   3.576   3.576
   87   2HB   LYS  12          2HB       LYS  12 -15.285   3.519   3.519
   88   1HG   LYS  12          1HG       LYS  12 -15.690   5.833   5.833
   89   2HG   LYS  12          2HG       LYS  12 -13.963   5.831   5.831
   90   1HD   LYS  12          1HD       LYS  12 -15.505   5.379   5.379
   91   2HD   LYS  12          2HD       LYS  12 -16.180   6.769   6.769
   92   1HE   LYS  12          1HE       LYS  12 -14.407   8.067   8.067
   93   2HE   LYS  12          2HE       LYS  12 -13.307   7.061   7.061
   94   1HZ   LYS  12          1HZ       LYS  12 -14.200   5.912   5.912
   95   2HZ   LYS  12          2HZ       LYS  12 -13.173   7.240   7.240
   96   3HZ   LYS  12          3HZ       LYS  12 -12.691   5.867   5.867
   97    H    GLU  13           H        GLU  13 -13.919   3.766   3.766
   98    HA   GLU  13           HA       GLU  13 -11.560   4.992   4.992
   99   1HB   GLU  13          1HB       GLU  13 -12.175   2.706   2.706
  100   2HB   GLU  13          2HB       GLU  13 -12.300   4.420   4.420
  101   1HG   GLU  13          1HG       GLU  13 -14.633   4.480   4.480
  102   2HG   GLU  13          2HG       GLU  13 -14.516   2.817   2.817
  103    H    PHE  14           H        PHE  14 -11.784   1.501   1.501
  104    HA   PHE  14           HA       PHE  14  -9.111   0.999   0.999
  105   1HB   PHE  14          1HB       PHE  14 -10.504  -0.914  -0.914
  106   2HB   PHE  14          2HB       PHE  14 -11.273  -0.661  -0.661
  107    HD1  PHE  14           HD2      PHE  14  -9.734  -1.101  -1.101
  108    HD2  PHE  14           HD1      PHE  14  -8.832  -2.558  -2.558
  109    HE1  PHE  14           HE2      PHE  14  -8.354  -2.898  -2.898
  110    HE2  PHE  14           HE1      PHE  14  -7.478  -4.365  -4.365
  111    HZ   PHE  14           HZ       PHE  14  -7.237  -4.543  -4.543
  112    H    GLY  15           H        GLY  15 -10.140   1.904   1.904
  113   1HA   GLY  15          1HA       GLY  15  -7.630   0.789   0.789
  114   2HA   GLY  15          2HA       GLY  15  -8.857   1.794   1.794
  115    H    ASN  16           H        ASN  16  -9.051   3.964   3.964
  116    HA   ASN  16           HA       ASN  16  -6.833   5.645   5.645
  117   1HB   ASN  16          1HB       ASN  16  -8.833   6.739   6.739
  118   2HB   ASN  16          2HB       ASN  16  -8.986   5.715   5.715
  119   1HD2  ASN  16          1HD2      ASN  16  -7.633   8.353   8.353
  120   2HD2  ASN  16          2HD2      ASN  16  -8.944   7.071   7.071
  121    H    THR  17           H        THR  17  -7.286   3.593   3.593
  122    HA   THR  17           HA       THR  17  -5.191   4.796   4.796
  123    HB   THR  17           HB       THR  17  -6.283   1.906   1.906
  124    HG1  THR  17           HG1      THR  17  -7.360   2.619   2.619
  125   1HG2  THR  17          3HG2      THR  17  -4.562   3.151   3.151
  126   2HG2  THR  17          1HG2      THR  17  -5.414   1.590   1.590
  127   3HG2  THR  17          2HG2      THR  17  -4.068   1.789   1.789
  128    H    LEU  18           H        LEU  18  -5.074   2.325   2.325
  129    HA   LEU  18           HA       LEU  18  -2.226   1.680   1.680
  130   1HB   LEU  18          1HB       LEU  18  -2.383  -0.087  -0.087
  131   2HB   LEU  18          2HB       LEU  18  -4.024   0.041   0.041
  132    HG   LEU  18           HG       LEU  18  -4.297   1.634   1.634
  133   1HD1  LEU  18          2HD1      LEU  18  -1.888   1.387   1.387
  134   2HD1  LEU  18          3HD1      LEU  18  -2.074  -0.382  -0.382
  135   3HD1  LEU  18          1HD1      LEU  18  -2.964   0.677   0.677
  136   1HD2  LEU  18          2HD2      LEU  18  -4.407  -1.465  -1.465
  137   2HD2  LEU  18          3HD2      LEU  18  -5.728  -0.345  -0.345
  138   3HD2  LEU  18          1HD2      LEU  18  -5.145  -0.422  -0.422
  139    H    GLU  19           H        GLU  19  -3.847   3.854   3.854
  140    HA   GLU  19           HA       GLU  19  -1.218   4.471   4.471
  141   1HB   GLU  19          1HB       GLU  19  -3.599   4.536   4.536
  142   2HB   GLU  19          2HB       GLU  19  -3.920   5.970   5.970
  143   1HG   GLU  19          1HG       GLU  19  -1.587   6.803   6.803
  144   2HG   GLU  19          2HG       GLU  19  -2.137   5.646   5.646
  145    H    ASP  20           H        ASP  20  -1.908   4.892   4.892
  146    HA   ASP  20           HA       ASP  20  -0.518   7.605   7.605
  147   1HB   ASP  20          1HB       ASP  20  -2.998   7.293   7.293
  148   2HB   ASP  20          2HB       ASP  20  -2.047   6.686   6.686
  149    H    LYS  21           H        LYS  21  -0.805   4.481   4.481
  150    HA   LYS  21           HA       LYS  21   1.669   5.041   5.041
  151   1HB   LYS  21          1HB       LYS  21   0.450   3.638   3.638
  152   2HB   LYS  21          2HB       LYS  21  -0.612   3.147   3.147
  153   1HG   LYS  21          1HG       LYS  21   2.207   1.955   1.955
  154   2HG   LYS  21          2HG       LYS  21   1.129   1.430   1.430
  155   1HD   LYS  21          1HD       LYS  21   0.141   1.393   1.393
  156   2HD   LYS  21          2HD       LYS  21   1.326   0.175   0.175
  157   1HE   LYS  21          1HE       LYS  21  -0.746   0.450   0.450
  158   2HE   LYS  21          2HE       LYS  21  -1.534   0.143   0.143
  159   1HZ   LYS  21          2HZ       LYS  21   0.854  -1.437  -1.437
  160   2HZ   LYS  21          3HZ       LYS  21  -0.602  -1.807  -1.807
  161   3HZ   LYS  21          1HZ       LYS  21  -0.490  -1.852  -1.852
  162    H    ALA  22           H        ALA  22   0.685   3.241   3.241
  163    HA   ALA  22           HA       ALA  22   3.259   1.837   1.837
  164   1HB   ALA  22          2HB       ALA  22   1.122   1.163   1.163
  165   2HB   ALA  22          3HB       ALA  22   1.099   2.696   2.696
  166   3HB   ALA  22          1HB       ALA  22   2.382   1.500   1.500
  167    H    ARG  23           H        ARG  23   2.525   5.117   5.117
  168    HA   ARG  23           HA       ARG  23   4.410   5.775   5.775
  169   1HB   ARG  23          1HB       ARG  23   2.503   7.169   7.169
  170   2HB   ARG  23          2HB       ARG  23   4.033   8.019   8.019
  171   1HG   ARG  23          1HG       ARG  23   3.417   9.105   9.105
  172   2HG   ARG  23          2HG       ARG  23   3.725   7.593   7.593
  173   1HD   ARG  23          1HD       ARG  23   1.387   6.958   6.958
  174   2HD   ARG  23          2HD       ARG  23   1.013   8.079   8.079
  175    HE   ARG  23           HE       ARG  23   1.229   9.985   9.985
  176   1HH1  ARG  23          2HH2      ARG  23   1.577   6.914   6.914
  177   2HH1  ARG  23          1HH2      ARG  23   1.255   7.659   7.659
  178   1HH2  ARG  23          1HH1      ARG  23   0.890  10.706  10.706
  179   2HH2  ARG  23          2HH1      ARG  23   0.889   9.719   9.719
  180    H    GLU  24           H        GLU  24   4.612   5.492   5.492
  181    HA   GLU  24           HA       GLU  24   7.461   6.527   6.527
  182   1HB   GLU  24          1HB       GLU  24   5.947   5.200   5.200
  183   2HB   GLU  24          2HB       GLU  24   7.363   6.218   6.218
  184   1HG   GLU  24          1HG       GLU  24   6.112   8.249   8.249
  185   2HG   GLU  24          2HG       GLU  24   4.812   7.464   7.464
  186    H    LEU  25           H        LEU  25   5.680   3.529   3.529
  187    HA   LEU  25           HA       LEU  25   8.071   1.828   1.828
  188   1HB   LEU  25          1HB       LEU  25   6.322   0.435   0.435
  189   2HB   LEU  25          2HB       LEU  25   5.161   1.476   1.476
  190    HG   LEU  25           HG       LEU  25   6.883  -0.427  -0.427
  191   1HD1  LEU  25          2HD1      LEU  25   5.915  -1.805  -1.805
  192   2HD1  LEU  25          3HD1      LEU  25   4.281  -1.204  -1.204
  193   3HD1  LEU  25          1HD1      LEU  25   5.157  -2.214  -2.214
  194   1HD2  LEU  25          2HD2      LEU  25   4.022   0.709   0.709
  195   2HD2  LEU  25          3HD2      LEU  25   5.483   1.165   1.165
  196   3HD2  LEU  25          1HD2      LEU  25   4.814  -0.460  -0.460
  197    H    ILE  26           H        ILE  26   6.602   3.359   3.359
  198    HA   ILE  26           HA       ILE  26   7.738   1.606   1.606
  199    HB   ILE  26           HB       ILE  26   6.497   4.333   4.333
  200   1HG1  ILE  26          1HG1      ILE  26   6.253   2.420   2.420
  201   2HG1  ILE  26          2HG1      ILE  26   5.486   2.003   2.003
  202   1HG2  ILE  26          2HG2      ILE  26   8.624   5.020   5.020
  203   2HG2  ILE  26          3HG2      ILE  26   8.392   3.707   3.707
  204   3HG2  ILE  26          1HG2      ILE  26   7.264   5.077   5.077
  205   1HD1  ILE  26          2HD1      ILE  26   4.156   4.146   4.146
  206   2HD1  ILE  26          3HD1      ILE  26   4.827   4.560   4.560
  207   3HD1  ILE  26          1HD1      ILE  26   3.821   3.114   3.114
  208    H    SER  27           H        SER  27   9.049   4.346   4.346
  209    HA   SER  27           HA       SER  27  11.579   4.397   4.397
  210   1HB   SER  27          1HB       SER  27  11.467   6.307   6.307
  211   2HB   SER  27          2HB       SER  27  10.593   5.533   5.533
  212    HG   SER  27           HG       SER  27  13.367   5.122   5.122
  213    H    ARG  28           H        ARG  28  10.401   2.492   2.492
  214    HA   ARG  28           HA       ARG  28  12.988   1.069   1.069
  215   1HB   ARG  28          1HB       ARG  28  11.233   1.246   1.246
  216   2HB   ARG  28          2HB       ARG  28  10.081   0.367   0.367
  217   1HG   ARG  28          1HG       ARG  28  12.039  -1.576  -1.576
  218   2HG   ARG  28          2HG       ARG  28  12.534  -0.679  -0.679
  219   1HD   ARG  28          1HD       ARG  28   9.818  -0.859  -0.859
  220   2HD   ARG  28          2HD       ARG  28  10.031  -2.316  -2.316
  221    HE   ARG  28           HE       ARG  28  11.349  -3.304  -3.304
  222   1HH1  ARG  28          2HH2      ARG  28  11.063   0.083   0.083
  223   2HH1  ARG  28          1HH2      ARG  28  11.841  -0.117  -0.117
  224   1HH2  ARG  28          1HH1      ARG  28  12.176  -3.443  -3.443
  225   2HH2  ARG  28          2HH1      ARG  28  12.445  -2.032  -2.032
  226    H    ILE  29           H        ILE  29  10.440   0.847   0.847
  227    HA   ILE  29           HA       ILE  29  10.861  -2.107  -2.107
  228    HB   ILE  29           HB       ILE  29   8.913  -0.022  -0.022
  229   1HG1  ILE  29          1HG1      ILE  29   7.568  -1.117  -1.117
  230   2HG1  ILE  29          2HG1      ILE  29   7.460  -2.386  -2.386
  231   1HG2  ILE  29          2HG2      ILE  29   9.672  -1.069  -1.069
  232   2HG2  ILE  29          3HG2      ILE  29   9.346  -2.694  -2.694
  233   3HG2  ILE  29          1HG2      ILE  29   8.030  -1.537  -1.537
  234   1HD1  ILE  29          2HD1      ILE  29   9.357  -3.664  -3.664
  235   2HD1  ILE  29          3HD1      ILE  29   9.429  -2.455  -2.455
  236   3HD1  ILE  29          1HD1      ILE  29   7.968  -3.433  -3.433
  237    H    LYS  30           H        LYS  30  11.743   0.923   0.923
  238    HA   LYS  30           HA       LYS  30  12.699  -0.199  -0.199
  239   1HB   LYS  30          1HB       LYS  30  12.844   2.072   2.072
  240   2HB   LYS  30          2HB       LYS  30  12.712   2.393   2.393
  241   1HG   LYS  30          1HG       LYS  30  15.440   1.372   1.372
  242   2HG   LYS  30          2HG       LYS  30  15.000   2.827   2.827
  243   1HD   LYS  30          1HD       LYS  30  14.442   2.918   2.918
  244   2HD   LYS  30          2HD       LYS  30  16.152   2.686   2.686
  245   1HE   LYS  30          1HE       LYS  30  14.337   4.935   4.935
  246   2HE   LYS  30          2HE       LYS  30  15.575   5.166   5.166
  247   1HZ   LYS  30          3HZ       LYS  30  16.277   3.918   3.918
  248   2HZ   LYS  30          1HZ       LYS  30  16.208   5.589   5.589
  249   3HZ   LYS  30          2HZ       LYS  30  17.277   4.688   4.688
  250    H    GLN  31           H        GLN  31  14.082   0.032   0.032
  251    HA   GLN  31           HA       GLN  31  16.801  -0.717  -0.717
  252   1HB   GLN  31          1HB       GLN  31  15.916   0.949   0.949
  253   2HB   GLN  31          2HB       GLN  31  16.334  -0.505  -0.505
  254   1HG   GLN  31          1HG       GLN  31  18.690  -0.331  -0.331
  255   2HG   GLN  31          2HG       GLN  31  18.203   1.315   1.315
  256   1HE2  GLN  31          2HE2      GLN  31  20.363   1.065   1.065
  257   2HE2  GLN  31          1HE2      GLN  31  20.507   0.439   0.439
  258    H    SER  32           H        SER  32  14.569  -2.605  -2.605
  259    HA   SER  32           HA       SER  32  16.330  -4.883  -4.883
  260   1HB   SER  32          1HB       SER  32  14.946  -6.014  -6.014
  261   2HB   SER  32          2HB       SER  32  15.550  -4.483  -4.483
  262    HG   SER  32           HG       SER  32  13.400  -4.608  -4.608
  263    H    GLU  33           H        GLU  33  14.813  -3.727  -3.727
  264    HA   GLU  33           HA       GLU  33  13.518  -6.399  -6.399
  265   1HB   GLU  33          1HB       GLU  33  12.333  -3.684  -3.684
  266   2HB   GLU  33          2HB       GLU  33  12.287  -4.238  -4.238
  267   1HG   GLU  33          1HG       GLU  33  11.319  -6.426  -6.426
  268   2HG   GLU  33          2HG       GLU  33  10.508  -4.956  -4.956
  269    H    LEU  34           H        LEU  34  16.195  -5.174  -5.174
  270    HA   LEU  34           HA       LEU  34  16.116  -5.351  -5.351
  271   1HB   LEU  34          1HB       LEU  34  18.312  -3.978  -3.978
  272   2HB   LEU  34          2HB       LEU  34  16.820  -3.115  -3.115
  273    HG   LEU  34           HG       LEU  34  18.830  -4.035  -4.035
  274   1HD1  LEU  34          2HD1      LEU  34  19.722  -2.223  -2.223
  275   2HD1  LEU  34          3HD1      LEU  34  18.287  -1.219  -1.219
  276   3HD1  LEU  34          1HD1      LEU  34  19.425  -1.609  -1.609
  277   1HD2  LEU  34          2HD2      LEU  34  16.290  -2.277  -2.277
  278   2HD2  LEU  34          3HD2      LEU  34  16.563  -3.880  -3.880
  279   3HD2  LEU  34          1HD2      LEU  34  17.524  -2.501  -2.501
  280    H    SER  35           H        SER  35  17.496  -6.548  -6.548
  281    HA   SER  35           HA       SER  35  19.340  -8.024  -8.024
  282   1HB   SER  35          1HB       SER  35  17.666  -9.191  -9.191
  283   2HB   SER  35          2HB       SER  35  19.336  -9.671  -9.671
  284    HG   SER  35           HG       SER  35  17.631 -10.689 -10.689
  285    H    ALA  36           H        ALA  36  19.779  -5.538  -5.538
  286    HA   ALA  36           HA       ALA  36  21.760  -6.091  -6.091
  287   1HB   ALA  36          2HB       ALA  36  20.036  -4.269  -4.269
  288   2HB   ALA  36          3HB       ALA  36  20.634  -3.437  -3.437
  289   3HB   ALA  36          1HB       ALA  36  21.664  -3.563  -3.563
  290    H    LYS  37           H        LYS  37  21.739  -3.902  -3.902
  291    HA   LYS  37           HA       LYS  37  24.664  -4.723  -4.723
  292   1HB   LYS  37          1HB       LYS  37  23.833  -2.197  -2.197
  293   2HB   LYS  37          2HB       LYS  37  23.805  -1.938  -1.938
  294   1HG   LYS  37          1HG       LYS  37  26.213  -2.549  -2.549
  295   2HG   LYS  37          2HG       LYS  37  26.260  -3.144  -3.144
  296   1HD   LYS  37          1HD       LYS  37  25.452  -0.472  -0.472
  297   2HD   LYS  37          2HD       LYS  37  26.454  -0.360  -0.360
  298   1HE   LYS  37          1HE       LYS  37  27.520  -2.051  -2.051
  299   2HE   LYS  37          2HE       LYS  37  27.606  -0.290  -0.290
  300   1HZ   LYS  37          1HZ       LYS  37  28.515  -0.471  -0.471
  301   2HZ   LYS  37          2HZ       LYS  37  28.928  -2.027  -2.027
  302   3HZ   LYS  37          3HZ       LYS  37  29.520  -0.696  -0.696
  303    H    MET  38           H        MET  38  22.365  -5.878  -5.878
  304    HA   MET  38           HA       MET  38  21.702  -4.796  -4.796
  305   1HB   MET  38          1HB       MET  38  20.899  -7.027  -7.027
  306   2HB   MET  38          2HB       MET  38  21.833  -7.806  -7.806
  307   1HG   MET  38          1HG       MET  38  19.862  -5.792  -5.792
  308   2HG   MET  38          2HG       MET  38  19.143  -7.160  -7.160
  309   1HE   MET  38          1HE       MET  38  17.955  -7.989  -7.989
  310   2HE   MET  38          3HE       MET  38  18.505  -9.158  -9.158
  311   3HE   MET  38          2HE       MET  38  18.367  -7.421  -7.421

  Start of MODEL   27
    1   1H    THR   1          2H        THR   1 -23.556  -5.740  -5.740
    2   2H    THR   1          3H        THR   1 -23.106  -5.226  -5.226
    3   3H    THR   1          1H        THR   1 -23.474  -6.844  -6.844
    4    HA   THR   1           HA       THR   1 -21.212  -6.865  -6.865
    5    HB   THR   1           HB       THR   1 -21.471  -4.104  -4.104
    6    HG1  THR   1           HG1      THR   1 -19.233  -4.126  -4.126
    7   1HG2  THR   1          3HG2      THR   1 -19.778  -5.289  -5.289
    8   2HG2  THR   1          1HG2      THR   1 -19.831  -3.572  -3.572
    9   3HG2  THR   1          2HG2      THR   1 -21.270  -4.339  -4.339
   10    HA   PRO   2           HA       PRO   2 -20.480  -9.231  -9.231
   11   1HB   PRO   2          1HB       PRO   2 -17.825  -7.795  -7.795
   12   2HB   PRO   2          2HB       PRO   2 -18.221  -9.644  -9.644
   13   1HG   PRO   2          1HG       PRO   2 -17.276  -8.290  -8.290
   14   2HG   PRO   2          2HG       PRO   2 -18.579  -9.656  -9.656
   15   1HD   PRO   2          1HD       PRO   2 -18.632  -6.552  -6.552
   16   2HD   PRO   2          2HD       PRO   2 -19.481  -7.711  -7.711
   17    H    ASP   3           H        ASP   3 -18.554  -8.548  -8.548
   18    HA   ASP   3           HA       ASP   3 -20.205  -6.503  -6.503
   19   1HB   ASP   3          1HB       ASP   3 -18.877  -8.775  -8.775
   20   2HB   ASP   3          2HB       ASP   3 -17.616  -7.595  -7.595
   21    H    VAL   4           H        VAL   4 -19.387  -5.266  -5.266
   22    HA   VAL   4           HA       VAL   4 -16.818  -3.798  -3.798
   23    HB   VAL   4           HB       VAL   4 -17.342  -5.237  -5.237
   24   1HG1  VAL   4          1HG2      VAL   4 -17.638  -2.255  -2.255
   25   2HG1  VAL   4          2HG2      VAL   4 -17.354  -3.610  -3.610
   26   3HG1  VAL   4          3HG2      VAL   4 -18.861  -3.529  -3.529
   27   1HG2  VAL   4          2HG1      VAL   4 -15.033  -4.561  -4.561
   28   2HG2  VAL   4          3HG1      VAL   4 -15.247  -4.281  -4.281
   29   3HG2  VAL   4          1HG1      VAL   4 -15.307  -2.908  -2.908
   30    H    SER   5           H        SER   5 -20.163  -3.534  -3.534
   31    HA   SER   5           HA       SER   5 -20.229  -0.635  -0.635
   32   1HB   SER   5          1HB       SER   5 -22.505  -0.886  -0.886
   33   2HB   SER   5          2HB       SER   5 -22.196  -2.614  -2.614
   34    HG   SER   5           HG       SER   5 -23.277  -2.532  -2.532
   35    H    SER   6           H        SER   6 -20.517  -2.617  -2.617
   36    HA   SER   6           HA       SER   6 -19.649  -0.162  -0.162
   37   1HB   SER   6          1HB       SER   6 -20.432  -2.909  -2.909
   38   2HB   SER   6          2HB       SER   6 -20.336  -1.392  -1.392
   39    HG   SER   6           HG       SER   6 -22.485  -2.091  -2.091
   40    H    ALA   7           H        ALA   7 -17.903  -1.201  -1.201
   41    HA   ALA   7           HA       ALA   7 -15.818  -2.696  -2.696
   42   1HB   ALA   7          2HB       ALA   7 -15.939  -2.765  -2.765
   43   2HB   ALA   7          3HB       ALA   7 -15.637  -1.013  -1.013
   44   3HB   ALA   7          1HB       ALA   7 -14.370  -2.112  -2.112
   45    H    LEU   8           H        LEU   8 -14.009  -1.990  -1.990
   46    HA   LEU   8           HA       LEU   8 -13.271  -0.662  -0.662
   47   1HB   LEU   8          1HB       LEU   8 -11.899   0.078   0.078
   48   2HB   LEU   8          2HB       LEU   8 -13.181   0.914   0.914
   49    HG   LEU   8           HG       LEU   8 -12.275   2.080   2.080
   50   1HD1  LEU   8          2HD1      LEU   8 -10.125   1.554   1.554
   51   2HD1  LEU   8          3HD1      LEU   8 -10.683   2.433   2.433
   52   3HD1  LEU   8          1HD1      LEU   8 -10.393   3.305   3.305
   53   1HD2  LEU   8          2HD2      LEU   8 -13.202   3.372   3.372
   54   2HD2  LEU   8          3HD2      LEU   8 -14.147   3.227   3.227
   55   3HD2  LEU   8          1HD2      LEU   8 -12.727   4.277   4.277
   56    H    ASP   9           H        ASP   9 -16.152  -0.639  -0.639
   57    HA   ASP   9           HA       ASP   9 -16.805   2.012   2.012
   58   1HB   ASP   9          1HB       ASP   9 -18.567   1.391   1.391
   59   2HB   ASP   9          2HB       ASP   9 -18.472  -0.304  -0.304
   60    H    LYS  10           H        LYS  10 -17.075  -1.445  -1.445
   61    HA   LYS  10           HA       LYS  10 -17.587  -1.055  -1.055
   62   1HB   LYS  10          1HB       LYS  10 -16.039  -3.481  -3.481
   63   2HB   LYS  10          2HB       LYS  10 -17.251  -3.429  -3.429
   64   1HG   LYS  10          1HG       LYS  10 -18.528  -2.531  -2.531
   65   2HG   LYS  10          2HG       LYS  10 -17.609  -3.992  -3.992
   66   1HD   LYS  10          1HD       LYS  10 -19.647  -4.923  -4.923
   67   2HD   LYS  10          2HD       LYS  10 -18.890  -4.863  -4.863
   68   1HE   LYS  10          1HE       LYS  10 -20.865  -3.690  -3.690
   69   2HE   LYS  10          2HE       LYS  10 -19.887  -2.309  -2.309
   70   1HZ   LYS  10          2HZ       LYS  10 -20.816  -3.139  -3.139
   71   2HZ   LYS  10          3HZ       LYS  10 -22.091  -3.618  -3.618
   72   3HZ   LYS  10          1HZ       LYS  10 -21.602  -2.010  -2.010
   73    H    LEU  11           H        LEU  11 -14.692  -1.264  -1.264
   74    HA   LEU  11           HA       LEU  11 -13.045  -0.965  -0.965
   75   1HB   LEU  11          1HB       LEU  11 -12.501  -2.025  -2.025
   76   2HB   LEU  11          2HB       LEU  11 -11.160  -1.212  -1.212
   77    HG   LEU  11           HG       LEU  11 -10.593  -3.205  -3.205
   78   1HD1  LEU  11          2HD1      LEU  11 -11.610  -2.221  -2.221
   79   2HD1  LEU  11          3HD1      LEU  11 -13.177  -2.976  -2.976
   80   3HD1  LEU  11          1HD1      LEU  11 -11.763  -3.987  -3.987
   81   1HD2  LEU  11          2HD2      LEU  11 -13.434  -4.261  -4.261
   82   2HD2  LEU  11          3HD2      LEU  11 -11.961  -4.460  -4.460
   83   3HD2  LEU  11          1HD2      LEU  11 -12.080  -5.268  -5.268
   84    H    LYS  12           H        LYS  12 -14.637   1.117   1.117
   85    HA   LYS  12           HA       LYS  12 -12.607   3.174   3.174
   86   1HB   LYS  12          1HB       LYS  12 -15.267   3.106   3.106
   87   2HB   LYS  12          2HB       LYS  12 -15.390   3.820   3.820
   88   1HG   LYS  12          1HG       LYS  12 -15.209   5.826   5.826
   89   2HG   LYS  12          2HG       LYS  12 -13.480   5.516   5.516
   90   1HD   LYS  12          1HD       LYS  12 -13.376   4.754   4.754
   91   2HD   LYS  12          2HD       LYS  12 -15.124   4.459   4.459
   92   1HE   LYS  12          1HE       LYS  12 -14.276   7.305   7.305
   93   2HE   LYS  12          2HE       LYS  12 -13.985   6.799   6.799
   94   1HZ   LYS  12          1HZ       LYS  12 -16.592   6.186   6.186
   95   2HZ   LYS  12          2HZ       LYS  12 -16.277   7.746   7.746
   96   3HZ   LYS  12          3HZ       LYS  12 -16.202   6.450   6.450
   97    H    GLU  13           H        GLU  13 -11.364   2.195   2.195
   98    HA   GLU  13           HA       GLU  13 -11.219   4.047   4.047
   99   1HB   GLU  13          1HB       GLU  13 -12.221   2.172   2.172
  100   2HB   GLU  13          2HB       GLU  13 -13.158   3.515   3.515
  101   1HG   GLU  13          1HG       GLU  13 -14.475   2.137   2.137
  102   2HG   GLU  13          2HG       GLU  13 -13.242   0.913   0.913
  103    H    PHE  14           H        PHE  14 -11.343   0.642   0.642
  104    HA   PHE  14           HA       PHE  14  -8.708   0.133   0.133
  105   1HB   PHE  14          1HB       PHE  14  -9.916  -1.874  -1.874
  106   2HB   PHE  14          2HB       PHE  14 -10.807  -1.535  -1.535
  107    HD1  PHE  14           HD2      PHE  14  -9.393  -1.717  -1.717
  108    HD2  PHE  14           HD1      PHE  14  -8.204  -3.490  -3.490
  109    HE1  PHE  14           HE2      PHE  14  -7.968  -3.324  -3.324
  110    HE2  PHE  14           HE1      PHE  14  -6.802  -5.104  -5.104
  111    HZ   PHE  14           HZ       PHE  14  -6.675  -5.025  -5.025
  112    H    GLY  15           H        GLY  15  -9.651   0.998   0.998
  113   1HA   GLY  15          1HA       GLY  15  -6.985   0.128   0.128
  114   2HA   GLY  15          2HA       GLY  15  -8.243   1.033   1.033
  115    H    ASN  16           H        ASN  16  -8.673   3.169   3.169
  116    HA   ASN  16           HA       ASN  16  -6.608   5.034   5.034
  117   1HB   ASN  16          1HB       ASN  16  -8.655   5.997   5.997
  118   2HB   ASN  16          2HB       ASN  16  -8.791   4.919   4.919
  119   1HD2  ASN  16          1HD2      ASN  16  -7.476   7.411   7.411
  120   2HD2  ASN  16          2HD2      ASN  16  -8.375   5.807   5.807
  121    H    THR  17           H        THR  17  -6.825   2.866   2.866
  122    HA   THR  17           HA       THR  17  -4.680   4.249   4.249
  123    HB   THR  17           HB       THR  17  -5.895   1.419   1.419
  124    HG1  THR  17           HG1      THR  17  -6.960   2.386   2.386
  125   1HG2  THR  17          3HG2      THR  17  -4.155   2.922   2.922
  126   2HG2  THR  17          1HG2      THR  17  -5.033   1.400   1.400
  127   3HG2  THR  17          2HG2      THR  17  -3.683   1.428   1.428
  128    H    LEU  18           H        LEU  18  -4.873   1.338   1.338
  129    HA   LEU  18           HA       LEU  18  -2.108   0.497   0.497
  130   1HB   LEU  18          1HB       LEU  18  -3.814  -1.025  -1.025
  131   2HB   LEU  18          2HB       LEU  18  -3.842  -0.017  -0.017
  132    HG   LEU  18           HG       LEU  18  -1.302  -0.583  -0.583
  133   1HD1  LEU  18          3HD2      LEU  18  -1.053  -1.607  -1.607
  134   2HD1  LEU  18          1HD2      LEU  18  -2.056  -2.964  -2.964
  135   3HD1  LEU  18          2HD2      LEU  18  -0.481  -2.671  -2.671
  136   1HD2  LEU  18          2HD1      LEU  18  -3.201  -1.481  -1.481
  137   2HD2  LEU  18          3HD1      LEU  18  -1.882  -2.664  -2.664
  138   3HD2  LEU  18          1HD1      LEU  18  -3.385  -2.845  -2.845
  139    H    GLU  19           H        GLU  19  -3.489   2.768   2.768
  140    HA   GLU  19           HA       GLU  19  -1.042   2.885   2.885
  141   1HB   GLU  19          1HB       GLU  19  -3.450   3.431   3.431
  142   2HB   GLU  19          2HB       GLU  19  -3.401   4.869   4.869
  143   1HG   GLU  19          1HG       GLU  19  -1.742   5.954   5.954
  144   2HG   GLU  19          2HG       GLU  19  -1.363   4.464   4.464
  145    H    ASP  20           H        ASP  20  -2.343   4.759   4.759
  146    HA   ASP  20           HA       ASP  20  -0.464   6.990   6.990
  147   1HB   ASP  20          1HB       ASP  20  -2.758   7.067   7.067
  148   2HB   ASP  20          2HB       ASP  20  -1.912   6.312   6.312
  149    H    LYS  21           H        LYS  21  -0.535   4.266   4.266
  150    HA   LYS  21           HA       LYS  21   2.089   5.162   5.162
  151   1HB   LYS  21          1HB       LYS  21   1.552   3.747   3.747
  152   2HB   LYS  21          2HB       LYS  21  -0.063   3.795   3.795
  153   1HG   LYS  21          1HG       LYS  21   1.217   1.679   1.679
  154   2HG   LYS  21          2HG       LYS  21   1.884   1.520   1.520
  155   1HD   LYS  21          1HD       LYS  21  -0.600   1.558   1.558
  156   2HD   LYS  21          2HD       LYS  21  -1.072   1.465   1.465
  157   1HE   LYS  21          1HE       LYS  21  -0.976  -0.859  -0.859
  158   2HE   LYS  21          2HE       LYS  21   0.470  -0.630  -0.630
  159   1HZ   LYS  21          3HZ       LYS  21   0.785   0.067   0.067
  160   2HZ   LYS  21          1HZ       LYS  21   0.533  -1.564  -1.564
  161   3HZ   LYS  21          2HZ       LYS  21   1.822  -0.754  -0.754
  162    H    ALA  22           H        ALA  22   0.996   3.091   3.091
  163    HA   ALA  22           HA       ALA  22   3.699   1.778   1.778
  164   1HB   ALA  22          2HB       ALA  22   1.593   0.560   0.560
  165   2HB   ALA  22          3HB       ALA  22   1.241   1.802   1.802
  166   3HB   ALA  22          1HB       ALA  22   2.662   0.745   0.745
  167    H    ARG  23           H        ARG  23   2.317   4.740   4.740
  168    HA   ARG  23           HA       ARG  23   3.936   5.151   5.151
  169   1HB   ARG  23          1HB       ARG  23   1.965   6.608   6.608
  170   2HB   ARG  23          2HB       ARG  23   3.373   7.651   7.651
  171   1HG   ARG  23          1HG       ARG  23   2.883   8.257   8.257
  172   2HG   ARG  23          2HG       ARG  23   2.911   6.575   6.575
  173   1HD   ARG  23          1HD       ARG  23   0.594   6.400   6.400
  174   2HD   ARG  23          2HD       ARG  23   0.439   7.324   7.324
  175    HE   ARG  23           HE       ARG  23   1.190   9.367   9.367
  176   1HH1  ARG  23          2HH2      ARG  23  -0.986   6.809   6.809
  177   2HH1  ARG  23          1HH2      ARG  23  -1.875   7.876   7.876
  178   1HH2  ARG  23          1HH1      ARG  23   0.180  10.460  10.460
  179   2HH2  ARG  23          2HH1      ARG  23  -1.246   9.862   9.862
  180    H    GLU  24           H        GLU  24   4.386   6.148   6.148
  181    HA   GLU  24           HA       GLU  24   7.006   7.401   7.401
  182   1HB   GLU  24          1HB       GLU  24   6.036   6.317   6.317
  183   2HB   GLU  24          2HB       GLU  24   7.204   7.588   7.588
  184   1HG   GLU  24          1HG       GLU  24   5.520   9.229   9.229
  185   2HG   GLU  24          2HG       GLU  24   4.344   8.043   8.043
  186    H    LEU  25           H        LEU  25   5.981   4.280   4.280
  187    HA   LEU  25           HA       LEU  25   8.708   3.184   3.184
  188   1HB   LEU  25          1HB       LEU  25   7.318   1.659   1.659
  189   2HB   LEU  25          2HB       LEU  25   5.916   2.184   2.184
  190    HG   LEU  25           HG       LEU  25   7.986   0.356   0.356
  191   1HD1  LEU  25          2HD1      LEU  25   7.410  -0.696  -0.696
  192   2HD1  LEU  25          3HD1      LEU  25   5.672  -0.575  -0.575
  193   3HD1  LEU  25          1HD1      LEU  25   6.726  -1.628  -1.628
  194   1HD2  LEU  25          2HD2      LEU  25   4.931   0.714   0.714
  195   2HD2  LEU  25          3HD2      LEU  25   6.224   1.238   1.238
  196   3HD2  LEU  25          1HD2      LEU  25   5.942  -0.487  -0.487
  197    H    ILE  26           H        ILE  26   6.654   3.780   3.780
  198    HA   ILE  26           HA       ILE  26   8.199   2.007   2.007
  199    HB   ILE  26           HB       ILE  26   6.005   4.062   4.062
  200   1HG1  ILE  26          1HG1      ILE  26   6.231   1.533   1.533
  201   2HG1  ILE  26          2HG1      ILE  26   5.827   1.384   1.384
  202   1HG2  ILE  26          2HG2      ILE  26   7.608   4.976   4.976
  203   2HG2  ILE  26          3HG2      ILE  26   7.750   3.360   3.360
  204   3HG2  ILE  26          1HG2      ILE  26   6.218   4.260   4.260
  205   1HD1  ILE  26          2HD1      ILE  26   3.819   2.889   2.889
  206   2HD1  ILE  26          3HD1      ILE  26   4.128   2.981   2.981
  207   3HD1  ILE  26          1HD1      ILE  26   3.739   1.423   1.423
  208    H    SER  27           H        SER  27   8.388   5.365   5.365
  209    HA   SER  27           HA       SER  27  10.635   5.969   5.969
  210   1HB   SER  27          1HB       SER  27   9.418   7.851   7.851
  211   2HB   SER  27          2HB       SER  27   9.711   7.312   7.312
  212    HG   SER  27           HG       SER  27  11.343   8.690   8.690
  213    H    ARG  28           H        ARG  28  10.325   4.434   4.434
  214    HA   ARG  28           HA       ARG  28  13.273   4.182   4.182
  215   1HB   ARG  28          1HB       ARG  28  11.840   4.019   4.019
  216   2HB   ARG  28          2HB       ARG  28  10.797   2.821   2.821
  217   1HG   ARG  28          1HG       ARG  28  13.104   1.323   1.323
  218   2HG   ARG  28          2HG       ARG  28  13.592   2.466   2.466
  219   1HD   ARG  28          1HD       ARG  28  10.972   1.766   1.766
  220   2HD   ARG  28          2HD       ARG  28  11.581   0.250   0.250
  221    HE   ARG  28           HE       ARG  28  12.555   1.577   1.577
  222   1HH1  ARG  28          2HH2      ARG  28  13.556  -0.545  -0.545
  223   2HH1  ARG  28          1HH2      ARG  28  14.889  -1.293  -1.293
  224   1HH2  ARG  28          2HH1      ARG  28  15.144  -0.609  -0.609
  225   2HH2  ARG  28          1HH1      ARG  28  14.015   0.721   0.721
  226    H    ILE  29           H        ILE  29  10.832   2.521   2.521
  227    HA   ILE  29           HA       ILE  29  12.290  -0.072  -0.072
  228    HB   ILE  29           HB       ILE  29   9.828   1.072   1.072
  229   1HG1  ILE  29          1HG1      ILE  29   9.638  -1.748  -1.748
  230   2HG1  ILE  29          2HG1      ILE  29  10.196  -0.693  -0.693
  231   1HG2  ILE  29          2HG2      ILE  29  10.993  -0.068  -0.068
  232   2HG2  ILE  29          3HG2      ILE  29  11.156  -1.562  -1.562
  233   3HG2  ILE  29          1HG2      ILE  29   9.562  -0.958  -0.958
  234   1HD1  ILE  29          2HD1      ILE  29   8.214   0.840   0.840
  235   2HD1  ILE  29          3HD1      ILE  29   7.552  -0.265  -0.265
  236   3HD1  ILE  29          1HD1      ILE  29   7.765  -0.825  -0.825
  237    H    LYS  30           H        LYS  30  12.082   2.776   2.776
  238    HA   LYS  30           HA       LYS  30  13.457   1.664   1.664
  239   1HB   LYS  30          1HB       LYS  30  13.118   3.789   3.789
  240   2HB   LYS  30          2HB       LYS  30  12.307   4.147   4.147
  241   1HG   LYS  30          1HG       LYS  30  15.242   4.418   4.418
  242   2HG   LYS  30          2HG       LYS  30  14.739   5.329   5.329
  243   1HD   LYS  30          1HD       LYS  30  12.829   6.198   6.198
  244   2HD   LYS  30          2HD       LYS  30  14.046   5.685   5.685
  245   1HE   LYS  30          1HE       LYS  30  14.761   7.925   7.925
  246   2HE   LYS  30          2HE       LYS  30  15.798   7.019   7.019
  247   1HZ   LYS  30          2HZ       LYS  30  13.136   7.896   7.896
  248   2HZ   LYS  30          3HZ       LYS  30  14.409   8.994   8.994
  249   3HZ   LYS  30          1HZ       LYS  30  14.534   7.605   7.605
  250    H    GLN  31           H        GLN  31  14.632   3.213   3.213
  251    HA   GLN  31           HA       GLN  31  17.480   2.774   2.774
  252   1HB   GLN  31          1HB       GLN  31  16.189   4.710   4.710
  253   2HB   GLN  31          2HB       GLN  31  16.898   3.686   3.686
  254   1HG   GLN  31          1HG       GLN  31  19.194   4.002   4.002
  255   2HG   GLN  31          2HG       GLN  31  18.374   5.305   5.305
  256   1HE2  GLN  31          2HE2      GLN  31  20.261   6.131   6.131
  257   2HE2  GLN  31          1HE2      GLN  31  20.489   4.604   4.604
  258    H    SER  32           H        SER  32  16.175   0.438   0.438
  259    HA   SER  32           HA       SER  32  17.941  -1.067  -1.067
  260   1HB   SER  32          1HB       SER  32  16.255  -0.050  -0.050
  261   2HB   SER  32          2HB       SER  32  15.037  -1.124  -1.124
  262    HG   SER  32           HG       SER  32  17.298  -1.685  -1.685
  263    H    GLU  33           H        GLU  33  17.714  -1.356  -1.356
  264    HA   GLU  33           HA       GLU  33  15.680  -3.613  -3.613
  265   1HB   GLU  33          1HB       GLU  33  16.380  -1.146  -1.146
  266   2HB   GLU  33          2HB       GLU  33  16.651  -2.530  -2.530
  267   1HG   GLU  33          1HG       GLU  33  14.118  -3.207  -3.207
  268   2HG   GLU  33          2HG       GLU  33  13.997  -1.504  -1.504
  269    H    LEU  34           H        LEU  34  18.389  -3.794  -3.794
  270    HA   LEU  34           HA       LEU  34  19.468  -5.705  -5.705
  271   1HB   LEU  34          1HB       LEU  34  21.856  -4.919  -4.919
  272   2HB   LEU  34          2HB       LEU  34  20.925  -3.879  -3.879
  273    HG   LEU  34           HG       LEU  34  20.429  -2.920  -2.920
  274   1HD1  LEU  34          2HD1      LEU  34  22.460  -4.222  -4.222
  275   2HD1  LEU  34          3HD1      LEU  34  23.441  -3.415  -3.415
  276   3HD1  LEU  34          1HD1      LEU  34  22.754  -2.476  -2.476
  277   1HD2  LEU  34          2HD2      LEU  34  22.209  -1.782  -1.782
  278   2HD2  LEU  34          3HD2      LEU  34  20.485  -1.436  -1.436
  279   3HD2  LEU  34          1HD2      LEU  34  21.688  -0.875  -0.875
  280    H    SER  35           H        SER  35  19.962  -4.445  -4.445
  281    HA   SER  35           HA       SER  35  21.259  -5.482  -5.482
  282   1HB   SER  35          1HB       SER  35  18.806  -7.320  -7.320
  283   2HB   SER  35          2HB       SER  35  19.834  -7.471  -7.471
  284    HG   SER  35           HG       SER  35  17.812  -5.867  -5.867
  285    H    ALA  36           H        ALA  36  22.318  -6.144  -6.144
  286    HA   ALA  36           HA       ALA  36  24.423  -7.279  -7.279
  287   1HB   ALA  36          2HB       ALA  36  24.486  -7.940  -7.940
  288   2HB   ALA  36          3HB       ALA  36  23.359  -9.283  -9.283
  289   3HB   ALA  36          1HB       ALA  36  24.996  -9.310  -9.310
  290    H    LYS  37           H        LYS  37  21.370  -9.005  -9.005
  291    HA   LYS  37           HA       LYS  37  21.988 -10.934 -10.934
  292   1HB   LYS  37          1HB       LYS  37  19.927 -11.440 -11.440
  293   2HB   LYS  37          2HB       LYS  37  19.508  -9.755  -9.755
  294   1HG   LYS  37          1HG       LYS  37  19.043  -9.553  -9.553
  295   2HG   LYS  37          2HG       LYS  37  19.302 -11.292 -11.292
  296   1HD   LYS  37          1HD       LYS  37  17.386 -11.033 -11.033
  297   2HD   LYS  37          2HD       LYS  37  16.968  -9.703  -9.703
  298   1HE   LYS  37          1HE       LYS  37  15.849 -11.971 -11.971
  299   2HE   LYS  37          2HE       LYS  37  16.718 -11.202 -11.202
  300   1HZ   LYS  37          3HZ       LYS  37  18.152 -13.073 -13.073
  301   2HZ   LYS  37          1HZ       LYS  37  17.177 -13.654 -13.654
  302   3HZ   LYS  37          2HZ       LYS  37  18.481 -12.653 -12.653
  303    H    MET  38           H        MET  38  21.654  -7.525  -7.525
  304    HA   MET  38           HA       MET  38  20.949  -6.926  -6.926
  305   1HB   MET  38          1HB       MET  38  21.690  -4.914  -4.914
  306   2HB   MET  38          2HB       MET  38  22.595  -5.715  -5.715
  307   1HG   MET  38          1HG       MET  38  24.653  -5.487  -5.487
  308   2HG   MET  38          2HG       MET  38  23.956  -5.717  -5.717
  309   1HE   MET  38          3HE       MET  38  22.581  -4.139  -4.139
  310   2HE   MET  38          2HE       MET  38  23.030  -2.408  -2.408
  311   3HE   MET  38          1HE       MET  38  24.270  -3.666  -3.666

  Start of MODEL   28
    1   1H    THR   1          2H        THR   1 -16.303  -9.137  -9.137
    2   2H    THR   1          3H        THR   1 -15.961  -7.548  -7.548
    3   3H    THR   1          1H        THR   1 -14.833  -8.761  -8.761
    4    HA   THR   1           HA       THR   1 -14.107  -8.876  -8.876
    5    HB   THR   1           HB       THR   1 -15.308  -6.097  -6.097
    6    HG1  THR   1           HG1      THR   1 -13.832  -5.284  -5.284
    7   1HG2  THR   1          3HG2      THR   1 -12.367  -7.080  -7.080
    8   2HG2  THR   1          1HG2      THR   1 -12.935  -5.431  -5.431
    9   3HG2  THR   1          2HG2      THR   1 -13.446  -6.774  -6.774
   10    HA   PRO   2           HA       PRO   2 -16.895  -9.925  -9.925
   11   1HB   PRO   2          1HB       PRO   2 -14.912  -8.390  -8.390
   12   2HB   PRO   2          2HB       PRO   2 -15.598 -10.140 -10.140
   13   1HG   PRO   2          1HG       PRO   2 -13.036  -9.621  -9.621
   14   2HG   PRO   2          2HG       PRO   2 -14.225 -10.963 -10.963
   15   1HD   PRO   2          1HD       PRO   2 -13.543  -8.066  -8.066
   16   2HD   PRO   2          2HD       PRO   2 -13.541  -9.601  -9.601
   17    H    ASP   3           H        ASP   3 -17.030  -8.593  -8.593
   18    HA   ASP   3           HA       ASP   3 -19.004  -6.602  -6.602
   19   1HB   ASP   3          1HB       ASP   3 -18.258  -7.658  -7.658
   20   2HB   ASP   3          2HB       ASP   3 -16.920  -6.531  -6.531
   21    H    VAL   4           H        VAL   4 -15.659  -6.283  -6.283
   22    HA   VAL   4           HA       VAL   4 -14.957  -3.653  -3.653
   23    HB   VAL   4           HB       VAL   4 -14.879  -5.816  -5.816
   24   1HG1  VAL   4          1HG2      VAL   4 -14.347  -2.947  -2.947
   25   2HG1  VAL   4          2HG2      VAL   4 -13.918  -4.458  -4.458
   26   3HG1  VAL   4          3HG2      VAL   4 -15.607  -4.060  -4.060
   27   1HG2  VAL   4          2HG1      VAL   4 -12.930  -5.362  -5.362
   28   2HG2  VAL   4          3HG1      VAL   4 -12.456  -5.274  -5.274
   29   3HG2  VAL   4          1HG1      VAL   4 -12.684  -3.774  -3.774
   30    H    SER   5           H        SER   5 -15.978  -1.930  -1.930
   31    HA   SER   5           HA       SER   5 -17.402  -0.488  -0.488
   32   1HB   SER   5          1HB       SER   5 -18.922  -2.904  -2.904
   33   2HB   SER   5          2HB       SER   5 -19.872  -1.746  -1.746
   34    HG   SER   5           HG       SER   5 -19.055  -0.475  -0.475
   35    H    SER   6           H        SER   6 -18.231  -2.007  -2.007
   36    HA   SER   6           HA       SER   6 -17.616   0.653   0.653
   37   1HB   SER   6          1HB       SER   6 -20.154   0.588   0.588
   38   2HB   SER   6          2HB       SER   6 -20.286  -0.794  -0.794
   39    HG   SER   6           HG       SER   6 -19.044   1.635   1.635
   40    H    ALA   7           H        ALA   7 -16.026  -1.438  -1.438
   41    HA   ALA   7           HA       ALA   7 -16.598  -3.184  -3.184
   42   1HB   ALA   7          2HB       ALA   7 -15.940  -4.296  -4.296
   43   2HB   ALA   7          3HB       ALA   7 -14.419  -3.372  -3.372
   44   3HB   ALA   7          1HB       ALA   7 -14.694  -4.593  -4.593
   45    H    LEU   8           H        LEU   8 -14.534  -0.664  -0.664
   46    HA   LEU   8           HA       LEU   8 -12.676  -0.769  -0.769
   47   1HB   LEU   8          1HB       LEU   8 -12.559   0.587   0.587
   48   2HB   LEU   8          2HB       LEU   8 -13.420   1.825   1.825
   49    HG   LEU   8           HG       LEU   8 -10.748   0.675   0.675
   50   1HD1  LEU   8          2HD1      LEU   8 -10.439   1.581   1.581
   51   2HD1  LEU   8          3HD1      LEU   8 -11.176   3.129   3.129
   52   3HD1  LEU   8          1HD1      LEU   8  -9.630   2.611   2.611
   53   1HD2  LEU   8          2HD2      LEU   8 -12.219   3.332   3.332
   54   2HD2  LEU   8          3HD2      LEU   8 -11.966   1.961   1.961
   55   3HD2  LEU   8          1HD2      LEU   8 -10.579   2.911   2.911
   56    H    ASP   9           H        ASP   9 -15.858   0.472   0.472
   57    HA   ASP   9           HA       ASP   9 -15.969   2.371   2.371
   58   1HB   ASP   9          1HB       ASP   9 -17.874   2.122   2.122
   59   2HB   ASP   9          2HB       ASP   9 -18.153   0.474   0.474
   60    H    LYS  10           H        LYS  10 -16.394  -1.112  -1.112
   61    HA   LYS  10           HA       LYS  10 -17.103  -1.238  -1.238
   62   1HB   LYS  10          1HB       LYS  10 -16.574  -3.104  -3.104
   63   2HB   LYS  10          2HB       LYS  10 -15.413  -3.520  -3.520
   64   1HG   LYS  10          1HG       LYS  10 -17.076  -4.604  -4.604
   65   2HG   LYS  10          2HG       LYS  10 -17.948  -3.084  -3.084
   66   1HD   LYS  10          1HD       LYS  10 -19.342  -4.892  -4.892
   67   2HD   LYS  10          2HD       LYS  10 -19.166  -3.539  -3.539
   68   1HE   LYS  10          1HE       LYS  10 -17.882  -4.767  -4.767
   69   2HE   LYS  10          2HE       LYS  10 -16.943  -5.569  -5.569
   70   1HZ   LYS  10          2HZ       LYS  10 -19.322  -6.660  -6.660
   71   2HZ   LYS  10          3HZ       LYS  10 -19.464  -6.376  -6.376
   72   3HZ   LYS  10          1HZ       LYS  10 -18.193  -7.308  -7.308
   73    H    LEU  11           H        LEU  11 -14.021  -1.185  -1.185
   74    HA   LEU  11           HA       LEU  11 -12.660  -1.269  -1.269
   75   1HB   LEU  11          1HB       LEU  11 -11.051  -1.600  -1.600
   76   2HB   LEU  11          2HB       LEU  11 -10.820  -2.361  -2.361
   77    HG   LEU  11           HG       LEU  11 -12.918  -3.142  -3.142
   78   1HD1  LEU  11          2HD1      LEU  11 -10.559  -3.786  -3.786
   79   2HD1  LEU  11          3HD1      LEU  11 -10.383  -4.617  -4.617
   80   3HD1  LEU  11          1HD1      LEU  11 -11.539  -5.221  -5.221
   81   1HD2  LEU  11          2HD2      LEU  11 -12.390  -4.422  -4.422
   82   2HD2  LEU  11          3HD2      LEU  11 -13.884  -3.615  -3.615
   83   3HD2  LEU  11          1HD2      LEU  11 -13.402  -5.142  -5.142
   84    H    LYS  12           H        LYS  12 -13.816   1.102   1.102
   85    HA   LYS  12           HA       LYS  12 -11.467   2.841   2.841
   86   1HB   LYS  12          1HB       LYS  12 -14.413   3.220   3.220
   87   2HB   LYS  12          2HB       LYS  12 -13.520   4.518   4.518
   88   1HG   LYS  12          1HG       LYS  12 -12.145   4.286   4.286
   89   2HG   LYS  12          2HG       LYS  12 -13.787   3.853   3.853
   90   1HD   LYS  12          1HD       LYS  12 -12.935   6.424   6.424
   91   2HD   LYS  12          2HD       LYS  12 -13.204   6.306   6.306
   92   1HE   LYS  12          1HE       LYS  12 -15.505   5.143   5.143
   93   2HE   LYS  12          2HE       LYS  12 -15.231   6.827   6.827
   94   1HZ   LYS  12          3HZ       LYS  12 -15.063   7.316   7.316
   95   2HZ   LYS  12          1HZ       LYS  12 -15.678   5.775   5.775
   96   3HZ   LYS  12          2HZ       LYS  12 -16.586   6.904   6.904
   97    H    GLU  13           H        GLU  13 -10.816   4.605   4.605
   98    HA   GLU  13           HA       GLU  13  -9.699   4.979   4.979
   99   1HB   GLU  13          1HB       GLU  13 -11.722   2.943   2.943
  100   2HB   GLU  13          2HB       GLU  13 -10.630   3.902   3.902
  101   1HG   GLU  13          1HG       GLU  13 -11.994   5.907   5.907
  102   2HG   GLU  13          2HG       GLU  13 -13.242   4.700   4.700
  103    H    PHE  14           H        PHE  14 -10.574   1.576   1.576
  104    HA   PHE  14           HA       PHE  14  -8.053   0.558   0.558
  105   1HB   PHE  14          1HB       PHE  14 -10.102  -0.849  -0.849
  106   2HB   PHE  14          2HB       PHE  14 -10.231  -0.746  -0.746
  107    HD1  PHE  14           HD2      PHE  14  -8.453  -1.939  -1.939
  108    HD2  PHE  14           HD1      PHE  14  -8.712  -2.525  -2.525
  109    HE1  PHE  14           HE2      PHE  14  -7.209  -4.056  -4.056
  110    HE2  PHE  14           HE1      PHE  14  -7.468  -4.634  -4.634
  111    HZ   PHE  14           HZ       PHE  14  -6.706  -5.404  -5.404
  112    H    GLY  15           H        GLY  15  -8.674   1.874   1.874
  113   1HA   GLY  15          1HA       GLY  15  -6.279   0.344   0.344
  114   2HA   GLY  15          2HA       GLY  15  -7.358   1.412   1.412
  115    H    ASN  16           H        ASN  16  -7.443   3.574   3.574
  116    HA   ASN  16           HA       ASN  16  -5.088   5.115   5.115
  117   1HB   ASN  16          1HB       ASN  16  -6.773   6.490   6.490
  118   2HB   ASN  16          2HB       ASN  16  -7.390   5.270   5.270
  119   1HD2  ASN  16          1HD2      ASN  16  -5.666   8.260   8.260
  120   2HD2  ASN  16          2HD2      ASN  16  -6.527   8.254   8.254
  121    H    THR  17           H        THR  17  -5.688   2.896   2.896
  122    HA   THR  17           HA       THR  17  -3.338   3.629   3.629
  123    HB   THR  17           HB       THR  17  -4.705   0.863   0.863
  124    HG1  THR  17           HG1      THR  17  -5.880   1.597   1.597
  125   1HG2  THR  17          3HG2      THR  17  -3.102   2.035   2.035
  126   2HG2  THR  17          1HG2      THR  17  -4.007   0.502   0.502
  127   3HG2  THR  17          2HG2      THR  17  -2.582   0.665   0.665
  128    H    LEU  18           H        LEU  18  -3.795   1.394   1.394
  129    HA   LEU  18           HA       LEU  18  -0.909   0.567   0.567
  130   1HB   LEU  18          1HB       LEU  18  -2.632   0.121   0.121
  131   2HB   LEU  18          2HB       LEU  18  -1.420  -0.931  -0.931
  132    HG   LEU  18           HG       LEU  18  -4.148  -0.444  -0.444
  133   1HD1  LEU  18          2HD1      LEU  18  -4.495  -1.354  -1.354
  134   2HD1  LEU  18          3HD1      LEU  18  -3.377  -2.699  -2.699
  135   3HD1  LEU  18          1HD1      LEU  18  -4.913  -2.566  -2.566
  136   1HD2  LEU  18          2HD2      LEU  18  -2.051  -2.701  -2.701
  137   2HD2  LEU  18          3HD2      LEU  18  -2.486  -1.447  -1.447
  138   3HD2  LEU  18          1HD2      LEU  18  -3.672  -2.682  -2.682
  139    H    GLU  19           H        GLU  19  -2.613   3.200   3.200
  140    HA   GLU  19           HA       GLU  19  -0.020   3.885   3.885
  141   1HB   GLU  19          1HB       GLU  19  -2.700   3.818   3.818
  142   2HB   GLU  19          2HB       GLU  19  -2.495   5.511   5.511
  143   1HG   GLU  19          1HG       GLU  19  -0.453   4.052   4.052
  144   2HG   GLU  19          2HG       GLU  19  -1.965   4.615   4.615
  145    H    ASP  20           H        ASP  20  -0.761   4.238   4.238
  146    HA   ASP  20           HA       ASP  20   0.439   7.014   7.014
  147   1HB   ASP  20          1HB       ASP  20  -2.277   6.740   6.740
  148   2HB   ASP  20          2HB       ASP  20  -1.478   6.623   6.623
  149    H    LYS  21           H        LYS  21  -0.501   4.331   4.331
  150    HA   LYS  21           HA       LYS  21   1.958   4.706   4.706
  151   1HB   LYS  21          1HB       LYS  21   0.944   3.169   3.169
  152   2HB   LYS  21          2HB       LYS  21  -0.427   3.187   3.187
  153   1HG   LYS  21          1HG       LYS  21   1.417   1.390   1.390
  154   2HG   LYS  21          2HG       LYS  21   1.641   1.064   1.064
  155   1HD   LYS  21          1HD       LYS  21  -0.879   0.666   0.666
  156   2HD   LYS  21          2HD       LYS  21  -1.022   0.993   0.993
  157   1HE   LYS  21          1HE       LYS  21   1.115  -0.867  -0.867
  158   2HE   LYS  21          2HE       LYS  21   0.085  -1.466  -1.466
  159   1HZ   LYS  21          3HZ       LYS  21  -1.193  -0.660  -0.660
  160   2HZ   LYS  21          1HZ       LYS  21  -0.388  -2.134  -2.134
  161   3HZ   LYS  21          2HZ       LYS  21  -1.668  -1.816  -1.816
  162    H    ALA  22           H        ALA  22   1.057   3.034   3.034
  163    HA   ALA  22           HA       ALA  22   3.857   1.893   1.893
  164   1HB   ALA  22          2HB       ALA  22   1.888   0.545   0.545
  165   2HB   ALA  22          3HB       ALA  22   1.451   1.832   1.832
  166   3HB   ALA  22          1HB       ALA  22   2.966   0.922   0.922
  167    H    ARG  23           H        ARG  23   3.283   4.801   4.801
  168    HA   ARG  23           HA       ARG  23   4.801   5.523   5.523
  169   1HB   ARG  23          1HB       ARG  23   2.408   6.611   6.611
  170   2HB   ARG  23          2HB       ARG  23   3.472   7.630   7.630
  171   1HG   ARG  23          1HG       ARG  23   3.615   8.982   8.982
  172   2HG   ARG  23          2HG       ARG  23   4.661   7.746   7.746
  173   1HD   ARG  23          1HD       ARG  23   2.560   6.565   6.565
  174   2HD   ARG  23          2HD       ARG  23   1.587   7.919   7.919
  175    HE   ARG  23           HE       ARG  23   3.659   8.122   8.122
  176   1HH1  ARG  23          2HH2      ARG  23   1.252   9.740   9.740
  177   2HH1  ARG  23          1HH2      ARG  23   1.190  11.176  11.176
  178   1HH2  ARG  23          1HH1      ARG  23   3.527   9.702   9.702
  179   2HH2  ARG  23          2HH1      ARG  23   2.427  11.166  11.166
  180    H    GLU  24           H        GLU  24   4.894   5.360   5.360
  181    HA   GLU  24           HA       GLU  24   7.551   6.850   6.850
  182   1HB   GLU  24          1HB       GLU  24   6.299   5.412   5.412
  183   2HB   GLU  24          2HB       GLU  24   7.515   6.669   6.669
  184   1HG   GLU  24          1HG       GLU  24   5.925   8.426   8.426
  185   2HG   GLU  24          2HG       GLU  24   4.774   7.392   7.392
  186    H    LEU  25           H        LEU  25   6.151   3.667   3.667
  187    HA   LEU  25           HA       LEU  25   8.774   2.275   2.275
  188   1HB   LEU  25          1HB       LEU  25   7.284   0.574   0.574
  189   2HB   LEU  25          2HB       LEU  25   5.964   1.438   1.438
  190    HG   LEU  25           HG       LEU  25   8.062   0.041   0.041
  191   1HD1  LEU  25          2HD1      LEU  25   7.345  -1.646  -1.646
  192   2HD1  LEU  25          3HD1      LEU  25   5.633  -1.349  -1.349
  193   3HD1  LEU  25          1HD1      LEU  25   6.716  -2.069  -2.069
  194   1HD2  LEU  25          2HD2      LEU  25   5.040   0.622   0.622
  195   2HD2  LEU  25          3HD2      LEU  25   6.401   1.425   1.425
  196   3HD2  LEU  25          1HD2      LEU  25   6.070  -0.279  -0.279
  197    H    ILE  26           H        ILE  26   6.768   3.567   3.567
  198    HA   ILE  26           HA       ILE  26   8.911   3.021   3.021
  199    HB   ILE  26           HB       ILE  26   6.116   4.153   4.153
  200   1HG1  ILE  26          1HG1      ILE  26   7.369   2.755   2.755
  201   2HG1  ILE  26          2HG1      ILE  26   7.082   1.807   1.807
  202   1HG2  ILE  26          2HG2      ILE  26   7.330   6.151   6.151
  203   2HG2  ILE  26          3HG2      ILE  26   8.135   5.096   5.096
  204   3HG2  ILE  26          1HG2      ILE  26   6.379   5.361   5.361
  205   1HD1  ILE  26          2HD1      ILE  26   4.629   2.399   2.399
  206   2HD1  ILE  26          3HD1      ILE  26   4.857   3.284   3.284
  207   3HD1  ILE  26          1HD1      ILE  26   5.150   1.538   1.538
  208    H    SER  27           H        SER  27   9.545   5.128   5.128
  209    HA   SER  27           HA       SER  27  11.122   6.919   6.919
  210   1HB   SER  27          1HB       SER  27  10.012   8.561   8.561
  211   2HB   SER  27          2HB       SER  27   9.287   7.456   7.456
  212    HG   SER  27           HG       SER  27  10.916   9.048   9.048
  213    H    ARG  28           H        ARG  28  10.836   4.994   4.994
  214    HA   ARG  28           HA       ARG  28  13.818   4.856   4.856
  215   1HB   ARG  28          1HB       ARG  28  12.763   4.646   4.646
  216   2HB   ARG  28          2HB       ARG  28  11.427   3.698   3.698
  217   1HG   ARG  28          1HG       ARG  28  13.874   2.089   2.089
  218   2HG   ARG  28          2HG       ARG  28  13.916   2.781   2.781
  219   1HD   ARG  28          1HD       ARG  28  11.604   1.853   1.853
  220   2HD   ARG  28          2HD       ARG  28  11.540   1.198   1.198
  221    HE   ARG  28           HE       ARG  28  12.856  -0.601  -0.601
  222   1HH1  ARG  28          2HH2      ARG  28  13.611   2.092   2.092
  223   2HH1  ARG  28          1HH2      ARG  28  14.768   1.085   1.085
  224   1HH2  ARG  28          1HH1      ARG  28  14.120  -1.626  -1.626
  225   2HH2  ARG  28          2HH1      ARG  28  15.049  -0.936  -0.936
  226    H    ILE  29           H        ILE  29  11.206   2.979   2.979
  227    HA   ILE  29           HA       ILE  29  12.694   0.537   0.537
  228    HB   ILE  29           HB       ILE  29  10.220   1.835   1.835
  229   1HG1  ILE  29          1HG1      ILE  29   9.239   0.311   0.311
  230   2HG1  ILE  29          2HG1      ILE  29   9.672  -0.903  -0.903
  231   1HG2  ILE  29          2HG2      ILE  29  11.376   1.147   1.147
  232   2HG2  ILE  29          3HG2      ILE  29  11.601  -0.502  -0.502
  233   3HG2  ILE  29          1HG2      ILE  29   9.980   0.139   0.139
  234   1HD1  ILE  29          2HD1      ILE  29  11.822  -1.433  -1.433
  235   2HD1  ILE  29          3HD1      ILE  29  11.370  -0.287  -0.287
  236   3HD1  ILE  29          1HD1      ILE  29  10.370  -1.717  -1.717
  237    H    LYS  30           H        LYS  30  12.394   3.567   3.567
  238    HA   LYS  30           HA       LYS  30  13.571   2.831   2.831
  239   1HB   LYS  30          1HB       LYS  30  13.414   5.382   5.382
  240   2HB   LYS  30          2HB       LYS  30  14.666   5.381   5.381
  241   1HG   LYS  30          1HG       LYS  30  12.313   6.290   6.290
  242   2HG   LYS  30          2HG       LYS  30  13.074   5.140   5.140
  243   1HD   LYS  30          1HD       LYS  30  11.581   3.410   3.410
  244   2HD   LYS  30          2HD       LYS  30  10.622   4.888   4.888
  245   1HE   LYS  30          1HE       LYS  30  11.552   3.982   3.982
  246   2HE   LYS  30          2HE       LYS  30  10.039   3.385   3.385
  247   1HZ   LYS  30          2HZ       LYS  30  10.483   6.269   6.269
  248   2HZ   LYS  30          3HZ       LYS  30  10.182   5.629   5.629
  249   3HZ   LYS  30          1HZ       LYS  30   9.070   5.403   5.403
  250    H    GLN  31           H        GLN  31  15.126   3.470   3.470
  251    HA   GLN  31           HA       GLN  31  17.849   3.112   3.112
  252   1HB   GLN  31          1HB       GLN  31  16.867   4.660   4.660
  253   2HB   GLN  31          2HB       GLN  31  17.510   3.287   3.287
  254   1HG   GLN  31          1HG       GLN  31  19.748   3.772   3.772
  255   2HG   GLN  31          2HG       GLN  31  19.029   5.351   5.351
  256   1HE2  GLN  31          2HE2      GLN  31  20.006   6.295   6.295
  257   2HE2  GLN  31          1HE2      GLN  31  18.861   6.671   6.671
  258    H    SER  32           H        SER  32  16.325   0.900   0.900
  259    HA   SER  32           HA       SER  32  18.184  -1.104  -1.104
  260   1HB   SER  32          1HB       SER  32  16.434  -2.319  -2.319
  261   2HB   SER  32          2HB       SER  32  17.659  -1.214  -1.214
  262    HG   SER  32           HG       SER  32  15.731  -0.573  -0.573
  263    H    GLU  33           H        GLU  33  17.144  -0.653  -0.653
  264    HA   GLU  33           HA       GLU  33  15.322  -3.096  -3.096
  265   1HB   GLU  33          1HB       GLU  33  14.888  -0.247  -0.247
  266   2HB   GLU  33          2HB       GLU  33  14.881  -1.187  -1.187
  267   1HG   GLU  33          1HG       GLU  33  13.178  -2.589  -2.589
  268   2HG   GLU  33          2HG       GLU  33  12.748  -0.898  -0.898
  269    H    LEU  34           H        LEU  34  18.247  -2.705  -2.705
  270    HA   LEU  34           HA       LEU  34  18.949  -2.467  -2.467
  271   1HB   LEU  34          1HB       LEU  34  21.184  -3.461  -3.461
  272   2HB   LEU  34          2HB       LEU  34  20.658  -2.236  -2.236
  273    HG   LEU  34           HG       LEU  34  20.105  -5.200  -5.200
  274   1HD1  LEU  34          2HD1      LEU  34  22.585  -4.927  -4.927
  275   2HD1  LEU  34          3HD1      LEU  34  22.634  -3.632  -3.632
  276   3HD1  LEU  34          1HD1      LEU  34  22.224  -5.299  -5.299
  277   1HD2  LEU  34          2HD2      LEU  34  20.316  -2.807  -2.807
  278   2HD2  LEU  34          3HD2      LEU  34  18.844  -3.708  -3.708
  279   3HD2  LEU  34          1HD2      LEU  34  20.109  -4.509  -4.509
  280    H    SER  35           H        SER  35  18.245  -5.232  -5.232
  281    HA   SER  35           HA       SER  35  17.239  -6.626  -6.626
  282   1HB   SER  35          1HB       SER  35  18.623  -8.797  -8.797
  283   2HB   SER  35          2HB       SER  35  19.405  -7.545  -7.545
  284    HG   SER  35           HG       SER  35  20.015  -8.526  -8.526
  285    H    ALA  36           H        ALA  36  16.333  -5.463  -5.463
  286    HA   ALA  36           HA       ALA  36  16.326  -7.183  -7.183
  287   1HB   ALA  36          2HB       ALA  36  15.655  -4.751  -4.751
  288   2HB   ALA  36          3HB       ALA  36  14.190  -5.119  -5.119
  289   3HB   ALA  36          1HB       ALA  36  14.358  -5.723  -5.723
  290    H    LYS  37           H        LYS  37  13.569  -6.662  -6.662
  291    HA   LYS  37           HA       LYS  37  12.711  -9.540  -9.540
  292   1HB   LYS  37          1HB       LYS  37  11.130  -7.346  -7.346
  293   2HB   LYS  37          2HB       LYS  37  11.064  -7.529  -7.529
  294   1HG   LYS  37          1HG       LYS  37   9.132  -8.686  -8.686
  295   2HG   LYS  37          2HG       LYS  37  10.063  -9.784  -9.784
  296   1HD   LYS  37          1HD       LYS  37  10.536 -11.104 -11.104
  297   2HD   LYS  37          2HD       LYS  37  11.128  -9.726  -9.726
  298   1HE   LYS  37          1HE       LYS  37   8.644  -9.010  -9.010
  299   2HE   LYS  37          2HE       LYS  37   8.154 -10.553 -10.553
  300   1HZ   LYS  37          2HZ       LYS  37   9.747 -11.594 -11.594
  301   2HZ   LYS  37          3HZ       LYS  37   9.707 -10.111 -10.111
  302   3HZ   LYS  37          1HZ       LYS  37   8.287 -10.984 -10.984
  303    H    MET  38           H        MET  38  13.885  -7.381  -7.381
  304    HA   MET  38           HA       MET  38  13.082  -9.298  -9.298
  305   1HB   MET  38          1HB       MET  38  12.827  -7.118  -7.118
  306   2HB   MET  38          2HB       MET  38  14.062  -6.450  -6.450
  307   1HG   MET  38          1HG       MET  38  15.694  -6.554  -6.554
  308   2HG   MET  38          2HG       MET  38  15.266  -8.218  -8.218
  309   1HE   MET  38          1HE       MET  38  16.072  -7.525  -7.525
  310   2HE   MET  38          3HE       MET  38  14.647  -8.272  -8.272
  311   3HE   MET  38          2HE       MET  38  15.176  -6.633  -6.633