*HEADER    ANTIBACTERIAL PEPTIDE                   20-MAY-97   3LEU      
*TITLE     HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN                 
*TITLE    2 DODECYLPHOSPHOCHOLINE MICELLES, 19 STRUCTURES                
*TITLE    3 (1:40 RATIO OF LEUCOCIN A:DPC) (0.1% TFA)                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: LEUCOCIN A;                                        
*COMPND   3 CHAIN: NULL                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: LEUCONOSTOC GELIDUM;                    
*SOURCE   3 STRAIN: UAL 187;                                             
*SOURCE   4 GENE: LCAA                                                   
*KEYWDS    ANTIBACTERIAL PEPTIDE, BACTERIOCIN                            
*EXPDTA    NMR, 19 STRUCTURES                                            
*AUTHOR    N.L.F.GALLAGHER,M.SAILER,W.P.NIEMCZURA,T.T.NAKASHIMA,         
*AUTHOR   2 M.E.STILES,J.C.VEDERAS                                       
*REVDAT   1   12-OCT-04 3LEU    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_16:HG1*   1:VAL_16:HG2*   1:VAL_16:CG1    1:VAL_16:CG2    1:VAL_16:CB    
1:VAL_26:HG2*   1:VAL_26:HG1*   1:VAL_26:CG2    1:VAL_26:CG1    1:VAL_26:CB    
!
#chiral
1:LY+N_1:CA        S
1:TYR_2:CA         S
1:TYR_3:CA         S
1:ASN_5:CA         S
1:VAL_7:CA         S
1:HIS+_8:CA        S
1:CYS_9:CA         R
1:THR_10:CA        S
1:THR_10:CB        R
1:LYS+_11:CA       S
1:SER_12:CA        S
1:CYS_14:CA        R
1:SER_15:CA        S
1:VAL_16:CA        S
1:ASN_17:CA        S
1:TRP_18:CA        S
1:GLU_20:CA        S
1:ALA_21:CA        S
1:PHE_22:CA        S
1:SER_23:CA        S
1:ALA_24:CA        S
1:VAL_26:CA        S
1:HIS+_27:CA       S
1:ARG+_28:CA       S
1:LEU_29:CA        S
1:ALA_30:CA        S
1:ASN_31:CA        S
1:ASN_34:CA        S
1:PHE_36:CA        S
1:TRP_37:CA        S
!
#distance
1:GLY_19:O         1:SER_23:HN         1.800  2.200 10.00 10.00 1000.000
1:GLU_20:O         1:ALA_24:HN         1.800  2.200 10.00 10.00 1000.000
1:ALA_21:O         1:GLY_25:HN         1.800  2.200 10.00 10.00 1000.000
1:PHE_22:O         1:VAL_26:HN         1.800  2.200 10.00 10.00 1000.000
1:SER_23:O         1:HIS+_27:HN        1.800  2.200 10.00 10.00 1000.000
1:ALA_24:O         1:ARG+_28:HN        1.800  2.200 10.00 10.00 1000.000
1:GLY_25:O         1:LEU_29:HN         1.800  2.200 10.00 10.00 1000.000
1:VAL_26:O         1:ALA_30:HN         1.800  2.200 10.00 10.00 1000.000
!
#NOE_distance
1:LY+N_1:HA        1:TYR_2:HN         -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:LY+N_1:HB*       1:TYR_2:HN         -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HN         1:TYR_3:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:TYR_3:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HB*        1:TYR_3:HN         -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_2:HD*        1:VAL_7:HG*        -1.000  8.400  4.000 10.00 10.00 1000.000  0.00
1:TYR_2:HE*        1:LY+N_1:HA        -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:GLY_4:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_2:HN         -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HD*        1:TYR_3:HN         -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HA         1:GLY_4:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HB1        1:GLY_4:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HB2        1:GLY_4:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:LY+N_1:HB*       -1.000  7.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:LY+N_1:HD*       -1.000  7.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_4:HN         1:ASN_5:HN         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:GLY_4:HA1        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:GLY_4:HA2        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:VAL_7:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HB*        1:GLY_6:HN         -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:VAL_7:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_6:HA1        1:VAL_7:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_6:HA2        1:VAL_7:HN         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:HIS+_8:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:HIS+_8:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_16:HG1*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_16:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HB         1:HIS+_8:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:HIS+_8:HN        -1.000  5.600  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:CYS_14:HB1       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:CYS_14:HB2       -1.000  6.400  4.000 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:VAL_16:HG1*      -1.000  5.900  2.500 10.00 10.00 1000.000  0.00
1:VAL_7:HG*        1:VAL_16:HG2*      -1.000  7.400  4.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:CYS_9:HN         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_9:HN         1:THR_10:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HA        1:CYS_9:HN         -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:HIS+_8:HB1       1:CYS_9:HN         -1.000  4.964  4.964 10.00 10.00 1000.000  0.00
1:HIS+_8:HD2       1:THR_10:HG*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:THR_10:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HB1       -1.000  4.969  4.969 10.00 10.00 1000.000  0.00
1:THR_10:HA        1:LYS+_11:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:SER_12:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:THR_10:HG*       1:LYS+_11:HN       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
!1:LYS+_11:HN       1:VAL_16:HG1*      -1.000  7.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HA       1:SER_12:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LYS+_11:HA       1:GLY_13:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HB*      1:SER_12:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:GLY_13:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_13:HN        1:CYS_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_13:HA1       1:CYS_14:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_13:HA2       1:CYS_14:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:SER_15:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_14:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_14:HA        1:SER_15:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_14:HB2       1:SER_15:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:VAL_16:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_15:HB*       1:VAL_16:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:ASN_17:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:ASN_17:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:ASN_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:ASN_17:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:ALA_21:HB*       -1.000  8.000  6.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:ALA_21:HB*       -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:TRP_18:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_17:HA        1:TRP_18:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_17:HB1       1:GLU_20:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_17:HB2       1:GLU_20:HB*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:GLU_20:HG*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:GLU_20:HB*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:GLU_20:HG*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:GLU_20:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:GLY_19:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HD1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:GLY_19:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:ALA_21:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HA        1:ALA_21:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HA        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HB1       1:GLY_19:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HB2       1:GLY_19:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HB1       1:ALA_21:HB*       -1.000  5.949  4.949 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HD1       -1.000  7.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:ALA_21:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HE3       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HZ3       1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:TRP_18:HZ3       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HZ3       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:TRP_18:HH2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HH2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG1*      1:TRP_18:HZ2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_16:HG2*      1:TRP_18:HZ2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:GLU_20:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:ALA_21:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_19:HA1       1:GLU_20:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_19:HA2       1:GLU_20:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_19:HA1       1:PHE_22:HB*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_19:HA2       1:PHE_22:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ALA_21:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:ALA_21:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:SER_23:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LEU_29:HA        1:ALA_30:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLU_20:HB*       1:ALA_21:HN        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:PHE_22:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ALA_24:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:PHE_22:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ALA_24:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ALA_24:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:GLY_25:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB*       1:PHE_22:HN        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HB*       1:ALA_24:HB*       -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:SER_23:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:ALA_24:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:PHE_22:HD*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:GLY_25:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:VAL_26:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HA        1:VAL_26:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_22:HB*       1:SER_23:HN        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:SER_23:HN        -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:ALA_24:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HB*       1:ALA_24:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:GLY_25:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:HIS+_27:HN       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:ARG+_28:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:HIS+_27:HB*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:GLY_25:HN        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:HIS+_27:HB*      -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:HIS+_27:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:ARG+_28:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:VAL_26:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:VAL_26:HB        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:VAL_26:HG2*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA1       1:VAL_26:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:VAL_26:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_25:HA1       1:ARG+_28:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:ARG+_28:HB*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:GLY_25:HA1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_24:HB*       1:GLY_25:HA2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_25:HA2       1:VAL_26:HG2*      -1.000  6.000  6.000 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:HIS+_27:HN       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:ARG+_28:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:HIS+_27:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:ALA_30:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HB*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HG        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:LEU_29:HD*       -1.000  5.600  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:ALA_30:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HB        1:HIS+_27:HN       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HG1*      1:HIS+_27:HN       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HG2*      1:HIS+_27:HN       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HG1*      1:LEU_29:HB*       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_26:HG1*      1:ALA_30:HB*       -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_27:HN       1:ARG+_28:HN       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_27:HA       1:ARG+_28:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HA       1:ALA_30:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:HIS+_27:HB*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_27:HB*      1:ALA_30:HB*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HD2      1:VAL_26:HG1*      -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:LEU_29:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:ASN_31:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HA       1:LEU_29:HD*       -1.000  7.400  5.000 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:ARG+_28:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ARG+_28:HB*      1:LEU_29:HD*       -1.000  5.900  2.500 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:ALA_30:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:ALA_30:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:LEU_29:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:LEU_29:HG        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_29:HD*       1:ALA_30:HN        -1.000  5.600  3.200 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:ASN_31:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:ALA_30:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:HIS+_27:HA       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ALA_30:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ALA_30:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:GLY_32:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:ASN_31:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_33:HN        1:GLY_32:HA*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:GLY_33:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_34:HN        1:GLY_35:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:ASN_34:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:PHE_36:HN        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:GLY_35:HA*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HA        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:PHE_36:HD*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:GLY_35:HA*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_36:HE*       1:VAL_26:HG2*      -1.000  7.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HE3       1:PHE_36:HB*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:LY+N_1:HA        1:LY+N_1:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HN         1:TYR_2:HB*        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HA         1:TYR_2:HB*        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HD*        1:TYR_2:HA         -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_2:HD*        1:TYR_2:HB*        -1.000  5.500  2.500 10.00 10.00 1000.000  0.00
1:TYR_2:HE*        1:TYR_2:HB*        -1.000  7.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HA         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HB1        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_3:HN         1:TYR_3:HB2        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HB1        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HA         1:TYR_3:HB2        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HA         -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HB1        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:TYR_3:HD*        1:TYR_3:HB2        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:TYR_3:HB1        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:TYR_3:HE*        1:TYR_3:HB2        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_4:HN         1:GLY_4:HA1        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_4:HN         1:GLY_4:HA2        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ASN_5:HB*        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_5:HD21       1:ASN_5:HB*        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_5:HD22       1:ASN_5:HB*        -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:GLY_6:HA1        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_6:HN         1:GLY_6:HA2        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:VAL_7:HA         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:VAL_7:HB         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HN         1:VAL_7:HG*        -1.000  5.600  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_7:HB         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_7:HA         1:VAL_7:HG*        -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HN        1:HIS+_8:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HA        1:HIS+_8:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_8:HA        1:HIS+_8:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_8:HD2       1:HIS+_8:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_8:HD2       1:HIS+_8:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_8:HD2       1:HIS+_8:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_9:HN         1:CYS_9:HA         -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_9:HA         1:CYS_9:HB*        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:THR_10:HN        1:CYS_9:HB*        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:THR_10:HN        1:THR_10:HG*       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HA       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:LYS+_11:HN       1:LYS+_11:HG*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:LYS+_11:HA       1:LYS+_11:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:LYS+_11:HA       1:LYS+_11:HG*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:SER_12:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:SER_12:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:SER_12:HA        1:SER_12:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:CYS_14:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:CYS_14:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:CYS_14:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_14:HA        1:CYS_14:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:CYS_14:HA        1:CYS_14:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:CYS_14:HB1       -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:SER_15:HN        1:SER_15:HB*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HB        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HG1*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HN        1:VAL_16:HG2*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HB        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HG1*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HA        1:VAL_16:HG2*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_16:HB        1:VAL_16:HG1*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_16:HB        1:VAL_16:HG2*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_17:HN        1:ASN_17:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:ASN_17:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD21      1:ASN_17:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:ASN_17:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_17:HD22      1:ASN_17:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HN        1:TRP_18:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HA        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_18:HZ3       1:TRP_18:HA        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_18:HD1       1:TRP_18:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:TRP_18:HE3       1:TRP_18:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_18:HZ3       1:TRP_18:HB1       -1.000  5.749  5.749 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:GLY_19:HA1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_19:HN        1:GLY_19:HA2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:GLU_20:HG*       -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:GLU_20:HN        1:ALA_21:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_20:HB*       1:ALA_21:HB*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ALA_21:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ALA_21:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:PHE_22:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_22:HN        1:PHE_22:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:PHE_22:HA        -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:ALA_24:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ALA_24:HN        1:ALA_24:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:GLY_25:HA1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:GLY_25:HN        1:GLY_25:HA2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HB        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HG1*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_26:HN        1:VAL_26:HG2*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HB        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HG1*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:VAL_26:HA        1:VAL_26:HG2*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:HIS+_27:HN       1:HIS+_27:HA       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:HIS+_27:HN       1:HIS+_27:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:HIS+_27:HD2      1:HIS+_27:HB*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ARG+_28:HA       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ARG+_28:HB*      -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:ARG+_28:HG*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HG        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:LEU_29:HN        1:LEU_29:HD*       -1.000  5.600  3.200 10.00 10.00 1000.000  0.00
1:LEU_29:HA        1:LEU_29:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:LEU_29:HA        1:LEU_29:HD*       -1.000  4.900  2.500 10.00 10.00 1000.000  0.00
1:ALA_24:HA        1:ALA_24:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ALA_21:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_30:HN        1:ALA_30:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ALA_30:HA        1:ALA_30:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ASN_31:HB1       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_31:HN        1:ASN_31:HB2       -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:ASN_31:HD21      1:ASN_31:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD21      1:ASN_31:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_31:HD22      1:ASN_31:HB2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_32:HN        1:GLY_32:HA*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_34:HN        1:ASN_34:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_34:HD21      1:ASN_34:HB*       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_34:HD22      1:ASN_34:HB*       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_35:HN        1:GLY_35:HA*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:PHE_36:HA        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HN        -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_36:HN        1:PHE_36:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_36:HA        1:PHE_36:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HA        -1.000  5.200  3.200 10.00 10.00 1000.000  0.00
1:PHE_36:HD*       1:PHE_36:HB*       -1.000  5.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_37:HD1       1:TRP_37:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HE3       1:TRP_37:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:TRP_37:HB1       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:TRP_37:HN        1:TRP_37:HB2       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_23:HN        1:ALA_24:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_27:HN       1:ALA_30:HB*       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:SER_12:HN        1:LYS+_11:HG*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ARG+_28:HN       1:LEU_29:HG        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_29:HB*       1:ALA_30:HB*       -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:GLU_20:HA        1:SER_23:HB*       -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_22:HD*       1:SER_23:HA        -1.000  6.000  4.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:HIS+_27:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HB        -1.000  3.200  3.200 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HG1*      -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:SER_23:HA        1:VAL_26:HG2*      -1.000  4.200  3.200 10.00 10.00 1000.000  0.00
#NOE_distance_overlapped
1:CYS_9:HB*	1:CYS_9:HN      1.800  5.000  10.00  10.00  1000.00
+ 1:HIS+_8:HB2	1:CYS_9:HN
1:SER_15:HN	1:GLY_13:HN	1.800  6.000  10.00  10.00  1000.00
+ 1:THR_10:HN	1:GLY_13:HN	
1:GLY_13:HA1	1:GLY_13:HN	1.800  4.000  10.00  10.00  1000.00
+ 1:SER_12:HA	1:GLY_13:HN
1:GLY_13:HA2	1:GLY_13:HN     1.800  4.000  10.00  10.00  1000.00
+ 1:SER_12:HB*	1:GLY_13:HN
1:SER_23:HN	1:PHE_22:HA	1.800  3.500  10.00  10.00  1000.00
+ 1:TRP_18:HN	1:TRP_18:HA
1:SER_23:HA	1:ALA_24:HN	1.800  4.000  10.00  10.00  1000.00
+ 1:SER_23:HB1	1:ALA_24:HN
+ 1:SER_23:HB2	1:ALA_24:HN
1:ALA_30:HN	1:LEU_29:HA	1.800  3.500  10.00  10.00  1000.00
+ 1:ALA_30:HN	1:ALA_30:HA
1:GLY_33:HN	1:GLY_33:HA1	1.800  3.500  10.00  10.00  1000.00
+ 1:GLY_33:HN	1:GLY_33:HA2
+ 1:ASN_34:HN	1:GLY_33:HA1
+ 1:ASN_34:HN	1:GLY_33:HA2
1:PHE_22:HD*	1:VAL_26:HG2*	1.800  5.000  10.00  10.00  1000.00
+ 1:TRP_37:HD1	1:VAL_26:HG2*
1:TRP_18:HA	1:TRP_18:HB1	1.800  3.500  10.00  10.00  1000.00
+ 1:TRP_18:HA	1:TRP_18:HB2
+ 1:PHE_22:HA	1:PHE_22:HB*
1:PHE_22:HD*	1:PHE_22:HB*	1.800  3.500  10.00  10.00  1000.00
+ 1:TRP_37:HD1	1:TRP_37:HB1
+ 1:TRP_37:HD1	1:TRP_37:HB2
1:SER_23:HN	1:SER_23:HA	1.800  3.500  10.00  10.00  1000.00
+ 1:SER_23:HN	1:SER_23:HB1
+ 1:SER_23:HN	1:SER_23:HB2
1:TRP_37:HE3	1:TRP_37:HB1	1.800  4.000  10.00  10.00  1000.00
+ 1:TRP_37:HE3	1:TRP_37:HB2
1:SER_23:HN	1:ALA_21:HB*	1.800  6.000  10.00  10.00  1000.00
+ 1:GLY_32:HN	1:ALA_30:HB*
!
#mixing_times
-9.990000E+02 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  14.656  -8.889  -8.889
    2   2H    LYS   1          2H        LYS   1  14.258 -10.518 -10.518
    3   3H    LYS   1          3H        LYS   1  14.122  -9.729  -9.729
    4    HA   LYS   1           HA       LYS   1  11.967  -9.972  -9.972
    5   1HB   LYS   1          1HB       LYS   1  13.345  -9.066  -9.066
    6   2HB   LYS   1          2HB       LYS   1  11.654  -8.639  -8.639
    7   1HG   LYS   1          1HG       LYS   1  11.441 -10.736 -10.736
    8   2HG   LYS   1          2HG       LYS   1  11.330 -11.246 -11.246
    9   1HD   LYS   1          1HD       LYS   1  14.142 -11.175 -11.175
   10   2HD   LYS   1          2HD       LYS   1  13.102 -12.165 -12.165
   11   1HE   LYS   1          1HE       LYS   1  12.658 -12.538 -12.538
   12   2HE   LYS   1          2HE       LYS   1  14.215 -13.126 -13.126
   13   1HZ   LYS   1          3HZ       LYS   1  11.860 -13.767 -13.767
   14   2HZ   LYS   1          1HZ       LYS   1  12.024 -14.561 -14.561
   15   3HZ   LYS   1          2HZ       LYS   1  13.239 -14.677 -14.677
   16    H    TYR   2           H        TYR   2  10.349  -8.368  -8.368
   17    HA   TYR   2           HA       TYR   2  11.426  -5.588  -5.588
   18   1HB   TYR   2          1HB       TYR   2   8.878  -6.577  -6.577
   19   2HB   TYR   2          2HB       TYR   2  10.016  -5.387  -5.387
   20    HD1  TYR   2           HD1      TYR   2  12.091  -6.028  -6.028
   21    HD2  TYR   2           HD2      TYR   2   9.272  -8.995  -8.995
   22    HE1  TYR   2           HE1      TYR   2  13.085  -7.675  -7.675
   23    HE2  TYR   2           HE2      TYR   2  10.267 -10.623 -10.623
   24    HH   TYR   2           HH       TYR   2  12.562 -10.925 -10.925
   25    H    TYR   3           H        TYR   3  10.463  -6.651  -6.651
   26    HA   TYR   3           HA       TYR   3   7.834  -5.124  -5.124
   27   1HB   TYR   3          2HB       TYR   3   9.395  -6.607  -6.607
   28   2HB   TYR   3          1HB       TYR   3   7.748  -6.053  -6.053
   29    HD1  TYR   3           HD1      TYR   3   7.198  -7.227  -7.227
   30    HD2  TYR   3           HD2      TYR   3   8.775  -8.836  -8.836
   31    HE1  TYR   3           HE1      TYR   3   6.453  -9.487  -9.487
   32    HE2  TYR   3           HE2      TYR   3   8.023 -11.078 -11.078
   33    HH   TYR   3           HH       TYR   3   7.213 -11.905 -11.905
   34    H    GLY   4           H        GLY   4  10.300  -3.782  -3.782
   35   1HA   GLY   4          1HA       GLY   4  10.615  -1.429  -1.429
   36   2HA   GLY   4          2HA       GLY   4  10.792  -2.289  -2.289
   37    H    ASN   5           H        ASN   5  12.501  -0.575  -0.575
   38    HA   ASN   5           HA       ASN   5  14.787  -0.506  -0.506
   39   1HB   ASN   5          1HB       ASN   5  14.783  -1.944  -1.944
   40   2HB   ASN   5          2HB       ASN   5  15.530  -3.125  -3.125
   41   1HD2  ASN   5          1HD2      ASN   5  17.820  -0.286  -0.286
   42   2HD2  ASN   5          2HD2      ASN   5  16.228  -0.893  -0.893
   43    H    GLY   6           H        GLY   6  15.838  -0.992  -0.992
   44   1HA   GLY   6          2HA       GLY   6  16.347  -2.337  -2.337
   45   2HA   GLY   6          1HA       GLY   6  15.438  -3.700  -3.700
   46    H    VAL   7           H        VAL   7  13.449  -1.174  -1.174
   47    HA   VAL   7           HA       VAL   7  11.375  -2.144  -2.144
   48    HB   VAL   7           HB       VAL   7  11.951   0.285   0.285
   49   1HG1  VAL   7          2HG2      VAL   7  11.912   1.489   1.489
   50   2HG1  VAL   7          3HG2      VAL   7  10.223   1.000   1.000
   51   3HG1  VAL   7          1HG2      VAL   7  10.702   2.072   2.072
   52   1HG2  VAL   7          3HG1      VAL   7   9.934  -1.348  -1.348
   53   2HG2  VAL   7          1HG1      VAL   7   9.590   0.390   0.390
   54   3HG2  VAL   7          2HG1      VAL   7   9.107  -0.497  -0.497
   55    H    HIS   8           H        HIS   8  14.006  -0.100  -0.100
   56    HA   HIS   8           HA       HIS   8  14.400   0.846   0.846
   57   1HB   HIS   8          2HB       HIS   8  14.106  -1.799  -1.799
   58   2HB   HIS   8          1HB       HIS   8  12.485  -1.424  -1.424
   59    HD1  HIS   8           HD1      HIS   8  16.234  -0.805  -0.805
   60    HD2  HIS   8           HD2      HIS   8  12.152  -0.359  -0.359
   61    HE1  HIS   8           HE1      HIS   8  16.209  -0.247  -0.247
   62    HE2  HIS   8           HE2      HIS   8  13.772   0.066   0.066
   63    H    CYS   9           H        CYS   9  13.243   2.610   2.610
   64    HA   CYS   9           HA       CYS   9  10.474   3.153   3.153
   65   1HB   CYS   9          1HB       CYS   9  12.747   4.630   4.630
   66   2HB   CYS   9          2HB       CYS   9  12.268   5.485   5.485
   67    H    THR  10           H        THR  10   9.315   3.059   3.059
   68    HA   THR  10           HA       THR  10  10.731   3.150   3.150
   69    HB   THR  10           HB       THR  10   8.656   2.011   2.011
   70    HG1  THR  10           HG1      THR  10   7.163   1.251   1.251
   71   1HG2  THR  10          3HG2      THR  10   9.766   0.495   0.495
   72   2HG2  THR  10          1HG2      THR  10   8.826  -0.234  -0.234
   73   3HG2  THR  10          2HG2      THR  10  10.437   0.403   0.403
   74    H    LYS  11           H        LYS  11  10.329   5.503   5.503
   75    HA   LYS  11           HA       LYS  11   9.455   7.682   7.682
   76   1HB   LYS  11          1HB       LYS  11  10.115   6.403   6.403
   77   2HB   LYS  11          2HB       LYS  11   8.631   7.302   7.302
   78   1HG   LYS  11          1HG       LYS  11   9.665   9.419   9.419
   79   2HG   LYS  11          2HG       LYS  11  10.867   8.734   8.734
   80   1HD   LYS  11          1HD       LYS  11  10.806   8.376   8.376
   81   2HD   LYS  11          2HD       LYS  11  11.751   9.614   9.614
   82   1HE   LYS  11          1HE       LYS  11  12.759   7.604   7.604
   83   2HE   LYS  11          2HE       LYS  11  12.117   6.544   6.544
   84   1HZ   LYS  11          3HZ       LYS  11  13.278   8.067   8.067
   85   2HZ   LYS  11          1HZ       LYS  11  14.086   8.736   8.736
   86   3HZ   LYS  11          2HZ       LYS  11  14.265   7.102   7.102
   87    H    SER  12           H        SER  12   7.699   6.029   6.029
   88    HA   SER  12           HA       SER  12   5.169   7.299   7.299
   89   1HB   SER  12          1HB       SER  12   3.791   5.717   5.717
   90   2HB   SER  12          2HB       SER  12   5.072   6.379   6.379
   91    HG   SER  12           HG       SER  12   4.522   3.849   3.849
   92    H    GLY  13           H        GLY  13   6.713   6.437   6.437
   93   1HA   GLY  13          1HA       GLY  13   5.508   5.619   5.619
   94   2HA   GLY  13          2HA       GLY  13   4.937   4.222   4.222
   95    H    CYS  14           H        CYS  14   6.921   5.037   5.037
   96    HA   CYS  14           HA       CYS  14   9.277   3.367   3.367
   97   1HB   CYS  14          1HB       CYS  14   8.802   5.480   5.480
   98   2HB   CYS  14          2HB       CYS  14   9.628   4.097   4.097
   99    H    SER  15           H        SER  15   7.825   3.461   3.461
  100    HA   SER  15           HA       SER  15   8.571   0.962   0.962
  101   1HB   SER  15          1HB       SER  15   6.636   2.875   2.875
  102   2HB   SER  15          2HB       SER  15   5.673   1.412   1.412
  103    HG   SER  15           HG       SER  15   7.118   2.078   2.078
  104    H    VAL  16           H        VAL  16   5.747   1.451   1.451
  105    HA   VAL  16           HA       VAL  16   4.498  -0.162  -0.162
  106    HB   VAL  16           HB       VAL  16   6.551  -0.047  -0.047
  107   1HG1  VAL  16          1HG1      VAL  16   7.817  -2.328  -2.328
  108   2HG1  VAL  16          2HG1      VAL  16   8.486  -1.650  -1.650
  109   3HG1  VAL  16          3HG1      VAL  16   8.393  -0.645  -0.645
  110   1HG2  VAL  16          2HG2      VAL  16   4.900  -1.828  -1.828
  111   2HG2  VAL  16          3HG2      VAL  16   6.561  -2.229  -2.229
  112   3HG2  VAL  16          1HG2      VAL  16   5.799  -3.045  -3.045
  113    H    ASN  17           H        ASN  17   3.589  -0.764  -0.764
  114    HA   ASN  17           HA       ASN  17   4.241  -3.623  -3.623
  115   1HB   ASN  17          1HB       ASN  17   2.829  -1.464  -1.464
  116   2HB   ASN  17          2HB       ASN  17   1.561  -2.604  -2.604
  117   1HD2  ASN  17          1HD2      ASN  17   2.356  -4.368  -4.368
  118   2HD2  ASN  17          2HD2      ASN  17   1.073  -3.672  -3.672
  119    H    TRP  18           H        TRP  18   3.147  -5.426  -5.426
  120    HA   TRP  18           HA       TRP  18   1.851  -5.172  -5.172
  121   1HB   TRP  18          2HB       TRP  18   2.378  -7.664  -7.664
  122   2HB   TRP  18          1HB       TRP  18   1.838  -7.749  -7.749
  123    HD1  TRP  18           HD1      TRP  18   4.838  -8.447  -8.447
  124    HE1  TRP  18           HE1      TRP  18   7.106  -7.958  -7.958
  125    HE3  TRP  18           HE3      TRP  18   2.830  -5.330  -5.330
  126    HZ2  TRP  18           HZ2      TRP  18   7.732  -6.328  -6.328
  127    HZ3  TRP  18           HZ3      TRP  18   4.343  -4.156  -4.156
  128    HH2  TRP  18           HH2      TRP  18   6.764  -4.625  -4.625
  129    H    GLY  19           H        GLY  19   0.895  -6.025  -6.025
  130   1HA   GLY  19          2HA       GLY  19  -1.936  -6.649  -6.649
  131   2HA   GLY  19          1HA       GLY  19  -1.355  -6.378  -6.378
  132    H    GLU  20           H        GLU  20  -0.117  -3.912  -3.912
  133    HA   GLU  20           HA       GLU  20  -2.495  -2.101  -2.101
  134   1HB   GLU  20          1HB       GLU  20   0.425  -1.993  -1.993
  135   2HB   GLU  20          2HB       GLU  20  -0.107  -0.529  -0.529
  136   1HG   GLU  20          1HG       GLU  20  -1.717  -1.561  -1.561
  137   2HG   GLU  20          2HG       GLU  20  -0.175  -0.802  -0.802
  138    HE1  GLU  20           HE2      GLU  20  -2.991   1.573   1.573
  139    H    ALA  21           H        ALA  21  -0.442  -3.344  -3.344
  140    HA   ALA  21           HA       ALA  21  -0.981  -0.993  -0.993
  141   1HB   ALA  21          2HB       ALA  21   1.173  -2.311  -2.311
  142   2HB   ALA  21          3HB       ALA  21   0.262  -3.800  -3.800
  143   3HB   ALA  21          1HB       ALA  21   0.251  -2.454  -2.454
  144    H    PHE  22           H        PHE  22  -2.398  -4.054  -4.054
  145    HA   PHE  22           HA       PHE  22  -4.391  -3.865  -3.865
  146   1HB   PHE  22          1HB       PHE  22  -3.771  -6.101  -6.101
  147   2HB   PHE  22          2HB       PHE  22  -4.329  -5.541  -5.541
  148    HD1  PHE  22           HD2      PHE  22  -6.900  -4.958  -4.958
  149    HD2  PHE  22           HD1      PHE  22  -5.273  -7.158  -7.158
  150    HE1  PHE  22           HE2      PHE  22  -9.127  -5.899  -5.899
  151    HE2  PHE  22           HE1      PHE  22  -7.494  -8.112  -8.112
  152    HZ   PHE  22           HZ       PHE  22  -9.430  -7.473  -7.473
  153    H    SER  23           H        SER  23  -4.073  -2.912  -2.912
  154    HA   SER  23           HA       SER  23  -6.834  -1.751  -1.751
  155   1HB   SER  23          1HB       SER  23  -4.621  -0.833  -0.833
  156   2HB   SER  23          2HB       SER  23  -6.337  -0.999  -0.999
  157    HG   SER  23           HG       SER  23  -6.057  -3.065  -3.065
  158    H    ALA  24           H        ALA  24  -3.610  -0.751  -0.751
  159    HA   ALA  24           HA       ALA  24  -4.556   2.072   2.072
  160   1HB   ALA  24          2HB       ALA  24  -2.188   1.583   1.583
  161   2HB   ALA  24          3HB       ALA  24  -1.911   0.602   0.602
  162   3HB   ALA  24          1HB       ALA  24  -2.175   2.357   2.357
  163    H    GLY  25           H        GLY  25  -4.262  -0.945  -0.945
  164   1HA   GLY  25          1HA       GLY  25  -4.741   0.305   0.305
  165   2HA   GLY  25          2HA       GLY  25  -4.893  -1.417  -1.417
  166    H    VAL  26           H        VAL  26  -6.506  -1.404  -1.404
  167    HA   VAL  26           HA       VAL  26  -9.200  -1.164  -1.164
  168    HB   VAL  26           HB       VAL  26  -7.822  -1.225  -1.225
  169   1HG1  VAL  26          1HG1      VAL  26 -10.692  -0.051  -0.051
  170   2HG1  VAL  26          2HG1      VAL  26  -9.800  -0.660  -0.660
  171   3HG1  VAL  26          3HG1      VAL  26  -9.216   0.762   0.762
  172   1HG2  VAL  26          2HG2      VAL  26  -8.926  -3.282  -3.282
  173   2HG2  VAL  26          3HG2      VAL  26  -9.547  -2.911  -2.911
  174   3HG2  VAL  26          1HG2      VAL  26 -10.521  -2.512  -2.512
  175    H    HIS  27           H        HIS  27  -7.528   1.190   1.190
  176    HA   HIS  27           HA       HIS  27  -9.732   3.160   3.160
  177   1HB   HIS  27          1HB       HIS  27  -8.485   3.871   3.871
  178   2HB   HIS  27          2HB       HIS  27  -7.187   2.757   2.757
  179    HD1  HIS  27           HD1      HIS  27  -8.183   6.510   6.510
  180    HD2  HIS  27           HD2      HIS  27  -5.152   3.610   3.610
  181    HE1  HIS  27           HE1      HIS  27  -6.106   7.718   7.718
  182    HE2  HIS  27           HE2      HIS  27  -4.170   6.062   6.062
  183    H    ARG  28           H        ARG  28  -6.755   2.504   2.504
  184    HA   ARG  28           HA       ARG  28  -6.557   4.970   4.970
  185   1HB   ARG  28          1HB       ARG  28  -5.716   2.097   2.097
  186   2HB   ARG  28          2HB       ARG  28  -5.952   2.917   2.917
  187   1HG   ARG  28          1HG       ARG  28  -4.261   4.339   4.339
  188   2HG   ARG  28          2HG       ARG  28  -3.565   2.944   2.944
  189   1HD   ARG  28          1HD       ARG  28  -4.559   4.368   4.368
  190   2HD   ARG  28          2HD       ARG  28  -4.196   5.699   5.699
  191    HE   ARG  28           HE       ARG  28  -1.909   5.301   5.301
  192   1HH1  ARG  28          2HH1      ARG  28  -3.559   2.318   2.318
  193   2HH1  ARG  28          1HH1      ARG  28  -1.997   1.472   1.472
  194   1HH2  ARG  28          1HH2      ARG  28  -0.261   4.320   4.320
  195   2HH2  ARG  28          2HH2      ARG  28  -0.201   2.555   2.555
  196    H    LEU  29           H        LEU  29  -8.518   2.094   2.094
  197    HA   LEU  29           HA       LEU  29  -9.916   3.310   3.310
  198   1HB   LEU  29          1HB       LEU  29 -11.180   1.180   1.180
  199   2HB   LEU  29          2HB       LEU  29 -11.394   1.404   1.404
  200    HG   LEU  29           HG       LEU  29  -9.271  -0.102  -0.102
  201   1HD1  LEU  29          3HD2      LEU  29 -11.130  -1.185  -1.185
  202   2HD1  LEU  29          1HD2      LEU  29 -10.368  -0.511  -0.511
  203   3HD1  LEU  29          2HD2      LEU  29  -9.485  -1.701  -1.701
  204   1HD2  LEU  29          2HD1      LEU  29  -7.932   1.758   1.758
  205   2HD2  LEU  29          3HD1      LEU  29  -7.539   0.154   0.154
  206   3HD2  LEU  29          1HD1      LEU  29  -8.584   1.274   1.274
  207    H    ALA  30           H        ALA  30 -10.420   3.252   3.252
  208    HA   ALA  30           HA       ALA  30 -13.095   4.644   4.644
  209   1HB   ALA  30          2HB       ALA  30 -12.904   2.722   2.722
  210   2HB   ALA  30          3HB       ALA  30 -11.644   3.586   3.586
  211   3HB   ALA  30          1HB       ALA  30 -13.310   4.213   4.213
  212    H    ASN  31           H        ASN  31 -10.371   5.868   5.868
  213    HA   ASN  31           HA       ASN  31 -10.599   8.194   8.194
  214   1HB   ASN  31          1HB       ASN  31  -8.374   7.060   7.060
  215   2HB   ASN  31          2HB       ASN  31  -8.715   8.067   8.067
  216   1HD2  ASN  31          1HD2      ASN  31  -6.456  10.161  10.161
  217   2HD2  ASN  31          2HD2      ASN  31  -6.467   8.741   8.741
  218    H    GLY  32           H        GLY  32 -12.671   7.459   7.459
  219   1HA   GLY  32          1HA       GLY  32 -12.707  10.235  10.235
  220   2HA   GLY  32          2HA       GLY  32 -13.614   8.824   8.824
  221    H    GLY  33           H        GLY  33 -14.926   7.799   7.799
  222   1HA   GLY  33          1HA       GLY  33 -16.134   8.865   8.865
  223   2HA   GLY  33          2HA       GLY  33 -16.670  10.118  10.118
  224    H    ASN  34           H        ASN  34 -17.407   8.997   8.997
  225    HA   ASN  34           HA       ASN  34 -19.257   6.681   6.681
  226   1HB   ASN  34          1HB       ASN  34 -20.135   9.346   9.346
  227   2HB   ASN  34          2HB       ASN  34 -21.174   7.946   7.946
  228   1HD2  ASN  34          1HD2      ASN  34 -21.041  10.493  10.493
  229   2HD2  ASN  34          2HD2      ASN  34 -20.308  10.843  10.843
  230    H    GLY  35           H        GLY  35 -16.818   6.915   6.915
  231   1HA   GLY  35          1HA       GLY  35 -18.018   5.978   5.978
  232   2HA   GLY  35          2HA       GLY  35 -16.426   6.756   6.756
  233    H    PHE  36           H        PHE  36 -18.082   4.251   4.251
  234    HA   PHE  36           HA       PHE  36 -15.753   2.375   2.375
  235   1HB   PHE  36          1HB       PHE  36 -15.851   3.213   3.213
  236   2HB   PHE  36          2HB       PHE  36 -17.366   2.370   2.370
  237    HD1  PHE  36           HD1      PHE  36 -13.712   1.880   1.880
  238    HD2  PHE  36           HD2      PHE  36 -17.438  -0.063  -0.063
  239    HE1  PHE  36           HE1      PHE  36 -12.493  -0.142  -0.142
  240    HE2  PHE  36           HE2      PHE  36 -16.208  -2.082  -2.082
  241    HZ   PHE  36           HZ       PHE  36 -13.734  -2.128  -2.128
  242    H    TRP  37           H        TRP  37 -19.109   2.578   2.578
  243    HA   TRP  37           HA       TRP  37 -19.726  -0.234  -0.234
  244   1HB   TRP  37          1HB       TRP  37 -21.911   1.909   1.909
  245   2HB   TRP  37          2HB       TRP  37 -21.973   0.332   0.332
  246    HD1  TRP  37           HD1      TRP  37 -22.274   3.699   3.699
  247    HE1  TRP  37           HE1      TRP  37 -21.427   4.232   4.232
  248    HE3  TRP  37           HE3      TRP  37 -19.458  -0.509  -0.509
  249    HZ2  TRP  37           HZ2      TRP  37 -19.774   2.809   2.809
  250    HZ3  TRP  37           HZ3      TRP  37 -18.260  -0.886  -0.886
  251    HH2  TRP  37           HH2      TRP  37 -18.362   0.778   0.778
  252    HXT  TRP  37           HXT      TRP  37 -20.551   1.813   1.813

  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  15.974  -0.221  -0.221
    2   2H    LYS   1          2H        LYS   1  15.872  -1.177  -1.177
    3   3H    LYS   1          3H        LYS   1  16.738   0.265   0.265
    4    HA   LYS   1           HA       LYS   1  18.383  -1.284  -1.284
    5   1HB   LYS   1          1HB       LYS   1  16.447  -2.699  -2.699
    6   2HB   LYS   1          2HB       LYS   1  18.143  -3.154  -3.154
    7   1HG   LYS   1          1HG       LYS   1  17.762  -3.500  -3.500
    8   2HG   LYS   1          2HG       LYS   1  16.041  -3.307  -3.307
    9   1HD   LYS   1          1HD       LYS   1  17.167  -5.707  -5.707
   10   2HD   LYS   1          2HD       LYS   1  15.919  -5.410  -5.410
   11   1HE   LYS   1          1HE       LYS   1  17.521  -5.173  -5.173
   12   2HE   LYS   1          2HE       LYS   1  18.873  -4.846  -4.846
   13   1HZ   LYS   1          1HZ       LYS   1  17.443  -7.421  -7.421
   14   2HZ   LYS   1          2HZ       LYS   1  18.599  -7.185  -7.185
   15   3HZ   LYS   1          3HZ       LYS   1  19.027  -7.042  -7.042
   16    H    TYR   2           H        TYR   2  19.559   0.342   0.342
   17    HA   TYR   2           HA       TYR   2  19.632   1.107   1.107
   18   1HB   TYR   2          1HB       TYR   2  21.739   2.238   2.238
   19   2HB   TYR   2          2HB       TYR   2  20.737   3.070   3.070
   20    HD1  TYR   2           HD2      TYR   2  18.291   3.614   3.614
   21    HD2  TYR   2           HD1      TYR   2  21.188   2.380   2.380
   22    HE1  TYR   2           HE2      TYR   2  16.890   4.553   4.553
   23    HE2  TYR   2           HE1      TYR   2  19.772   3.331   3.331
   24    HH   TYR   2           HH       TYR   2  17.306   3.834   3.834
   25    H    TYR   3           H        TYR   3  20.233  -1.527  -1.527
   26    HA   TYR   3           HA       TYR   3  23.257  -1.725  -1.725
   27   1HB   TYR   3          1HB       TYR   3  20.771  -3.491  -3.491
   28   2HB   TYR   3          2HB       TYR   3  22.107  -4.293  -4.293
   29    HD1  TYR   3           HD1      TYR   3  21.408  -2.115  -2.115
   30    HD2  TYR   3           HD2      TYR   3  23.628  -5.462  -5.462
   31    HE1  TYR   3           HE1      TYR   3  22.174  -2.663  -2.663
   32    HE2  TYR   3           HE2      TYR   3  24.384  -5.996  -5.996
   33    HH   TYR   3           HH       TYR   3  22.992  -4.486  -4.486
   34    H    GLY   4           H        GLY   4  21.730  -0.577  -0.577
   35   1HA   GLY   4          1HA       GLY   4  23.212  -1.434  -1.434
   36   2HA   GLY   4          2HA       GLY   4  22.038  -2.761  -2.761
   37    H    ASN   5           H        ASN   5  20.066  -2.543  -2.543
   38    HA   ASN   5           HA       ASN   5  18.731   0.098   0.098
   39   1HB   ASN   5          1HB       ASN   5  20.562  -0.318  -0.318
   40   2HB   ASN   5          2HB       ASN   5  19.183  -1.121  -1.121
   41   1HD2  ASN   5          1HD2      ASN   5  17.829   1.973   1.973
   42   2HD2  ASN   5          2HD2      ASN   5  17.971   0.152   0.152
   43    H    GLY   6           H        GLY   6  18.293  -2.450  -2.450
   44   1HA   GLY   6          2HA       GLY   6  16.409  -4.017  -4.017
   45   2HA   GLY   6          1HA       GLY   6  16.530  -4.097  -4.097
   46    H    VAL   7           H        VAL   7  16.064  -1.093  -1.093
   47    HA   VAL   7           HA       VAL   7  13.279  -1.274  -1.274
   48    HB   VAL   7           HB       VAL   7  14.735   1.265   1.265
   49   1HG1  VAL   7          1HG1      VAL   7  12.423   1.115   1.115
   50   2HG1  VAL   7          2HG1      VAL   7  13.336   2.582   2.582
   51   3HG1  VAL   7          3HG1      VAL   7  12.326   1.803   1.803
   52   1HG2  VAL   7          2HG2      VAL   7  16.120   0.153   0.153
   53   2HG2  VAL   7          3HG2      VAL   7  15.491   1.722   1.722
   54   3HG2  VAL   7          1HG2      VAL   7  14.732   0.223   0.223
   55    H    HIS   8           H        HIS   8  14.727  -0.157  -0.157
   56    HA   HIS   8           HA       HIS   8  13.731   0.025   0.025
   57   1HB   HIS   8          1HB       HIS   8  13.082  -2.497  -2.497
   58   2HB   HIS   8          2HB       HIS   8  11.464  -1.827  -1.827
   59    HD1  HIS   8           HD1      HIS   8   9.946  -2.365  -2.365
   60    HD2  HIS   8           HD2      HIS   8  14.138  -1.717  -1.717
   61    HE1  HIS   8           HE1      HIS   8  10.402  -2.658  -2.658
   62    HE2  HIS   8           HE2      HIS   8  12.931  -2.288  -2.288
   63    H    CYS   9           H        CYS   9  13.350   2.149   2.149
   64    HA   CYS   9           HA       CYS   9  10.342   2.741   2.741
   65   1HB   CYS   9          1HB       CYS   9  11.920   3.533   3.533
   66   2HB   CYS   9          2HB       CYS   9  12.624   4.677   4.677
   67    H    THR  10           H        THR  10   9.922   2.567   2.567
   68    HA   THR  10           HA       THR  10  11.001   4.875   4.875
   69    HB   THR  10           HB       THR  10  11.732   3.478   3.478
   70    HG1  THR  10           HG1      THR  10  11.587   1.233   1.233
   71   1HG2  THR  10          3HG2      THR  10  12.862   2.107   2.107
   72   2HG2  THR  10          1HG2      THR  10  13.560   1.992   1.992
   73   3HG2  THR  10          2HG2      THR  10  13.562   3.540   3.540
   74    H    LYS  11           H        LYS  11   8.521   4.567   4.567
   75    HA   LYS  11           HA       LYS  11   6.973   4.701   4.701
   76   1HB   LYS  11          1HB       LYS  11   5.238   3.216   3.216
   77   2HB   LYS  11          2HB       LYS  11   6.673   2.395   2.395
   78   1HG   LYS  11          1HG       LYS  11   5.888   2.501   2.501
   79   2HG   LYS  11          2HG       LYS  11   5.758   4.256   4.256
   80   1HD   LYS  11          1HD       LYS  11   3.494   3.396   3.396
   81   2HD   LYS  11          2HD       LYS  11   3.686   2.095   2.095
   82   1HE   LYS  11          1HE       LYS  11   4.022   4.949   4.949
   83   2HE   LYS  11          2HE       LYS  11   2.374   4.453   4.453
   84   1HZ   LYS  11          1HZ       LYS  11   2.928   2.343   2.343
   85   2HZ   LYS  11          2HZ       LYS  11   4.201   3.233   3.233
   86   3HZ   LYS  11          3HZ       LYS  11   2.618   3.765   3.765
   87    H    SER  12           H        SER  12   8.135   6.623   6.623
   88    HA   SER  12           HA       SER  12   7.436   8.798   8.798
   89   1HB   SER  12          1HB       SER  12   5.442   9.307   9.307
   90   2HB   SER  12          2HB       SER  12   4.734   7.723   7.723
   91    HG   SER  12           HG       SER  12   3.629   8.704   8.704
   92    H    GLY  13           H        GLY  13   5.867   6.012   6.012
   93   1HA   GLY  13          1HA       GLY  13   7.086   7.070   7.070
   94   2HA   GLY  13          2HA       GLY  13   5.410   6.475   6.475
   95    H    CYS  14           H        CYS  14   7.307   5.390   5.390
   96    HA   CYS  14           HA       CYS  14   8.525   3.013   3.013
   97   1HB   CYS  14          1HB       CYS  14   8.616   3.586   3.586
   98   2HB   CYS  14          2HB       CYS  14   9.796   2.696   2.696
   99    H    SER  15           H        SER  15   8.011   1.704   1.704
  100    HA   SER  15           HA       SER  15   5.271   0.867   0.867
  101   1HB   SER  15          1HB       SER  15   5.854   0.190   0.190
  102   2HB   SER  15          2HB       SER  15   6.879  -1.077  -1.077
  103    HG   SER  15           HG       SER  15   4.063  -0.742  -0.742
  104    H    VAL  16           H        VAL  16   8.615  -0.087  -0.087
  105    HA   VAL  16           HA       VAL  16   8.234  -2.477  -2.477
  106    HB   VAL  16           HB       VAL  16  10.549  -0.423  -0.423
  107   1HG1  VAL  16          2HG2      VAL  16  10.581  -3.233  -3.233
  108   2HG1  VAL  16          3HG2      VAL  16  12.035  -2.299  -2.299
  109   3HG1  VAL  16          1HG2      VAL  16  10.854  -1.677  -1.677
  110   1HG2  VAL  16          1HG1      VAL  16  10.362  -1.605  -1.605
  111   2HG2  VAL  16          2HG1      VAL  16  11.841  -2.112  -2.112
  112   3HG2  VAL  16          3HG1      VAL  16  10.455  -3.186  -3.186
  113    H    ASN  17           H        ASN  17   6.762  -2.378  -2.378
  114    HA   ASN  17           HA       ASN  17   6.912  -0.309  -0.309
  115   1HB   ASN  17          2HB       ASN  17   4.917  -2.083  -2.083
  116   2HB   ASN  17          1HB       ASN  17   5.548  -2.987  -2.987
  117   1HD2  ASN  17          1HD2      ASN  17   2.802  -0.789  -0.789
  118   2HD2  ASN  17          2HD2      ASN  17   2.949  -2.098  -2.098
  119    H    TRP  18           H        TRP  18   7.548  -0.498  -0.498
  120    HA   TRP  18           HA       TRP  18   9.893  -2.440  -2.440
  121   1HB   TRP  18          2HB       TRP  18   9.175   0.093   0.093
  122   2HB   TRP  18          1HB       TRP  18  10.648  -0.830  -0.830
  123    HD1  TRP  18           HD1      TRP  18   9.687   2.307   2.307
  124    HE1  TRP  18           HE1      TRP  18  11.035   3.111   3.111
  125    HE3  TRP  18           HE3      TRP  18  11.738  -2.221  -2.221
  126    HZ2  TRP  18           HZ2      TRP  18  12.691   1.740   1.740
  127    HZ3  TRP  18           HZ3      TRP  18  13.392  -2.371  -2.371
  128    HH2  TRP  18           HH2      TRP  18  13.846  -0.426  -0.426
  129    H    GLY  19           H        GLY  19   6.885  -1.516  -1.516
  130   1HA   GLY  19          2HA       GLY  19   7.286  -3.399  -3.399
  131   2HA   GLY  19          1HA       GLY  19   5.761  -2.611  -2.611
  132    H    GLU  20           H        GLU  20   5.505  -3.342  -3.342
  133    HA   GLU  20           HA       GLU  20   4.575  -6.150  -6.150
  134   1HB   GLU  20          1HB       GLU  20   4.820  -4.017  -4.017
  135   2HB   GLU  20          2HB       GLU  20   4.568  -5.666  -5.666
  136   1HG   GLU  20          1HG       GLU  20   2.627  -4.642  -4.642
  137   2HG   GLU  20          2HG       GLU  20   2.514  -3.865  -3.865
  138    HE2  GLU  20           HE2      GLU  20   0.338  -6.221  -6.221
  139    H    ALA  21           H        ALA  21   7.577  -4.648  -4.648
  140    HA   ALA  21           HA       ALA  21   8.577  -7.117  -7.117
  141   1HB   ALA  21          2HB       ALA  21   9.454  -4.808  -4.808
  142   2HB   ALA  21          3HB       ALA  21  10.057  -4.614  -4.614
  143   3HB   ALA  21          1HB       ALA  21  10.780  -5.832  -5.832
  144    H    PHE  22           H        PHE  22   8.412  -5.946  -5.946
  145    HA   PHE  22           HA       PHE  22  10.274  -8.098  -8.098
  146   1HB   PHE  22          1HB       PHE  22   9.028  -5.753  -5.753
  147   2HB   PHE  22          2HB       PHE  22   8.220  -7.066  -7.066
  148    HD1  PHE  22           HD2      PHE  22  11.550  -5.454  -5.454
  149    HD2  PHE  22           HD1      PHE  22   9.335  -8.411  -8.411
  150    HE1  PHE  22           HE2      PHE  22  13.367  -5.595  -5.595
  151    HE2  PHE  22           HE1      PHE  22  11.157  -8.554  -8.554
  152    HZ   PHE  22           HZ       PHE  22  13.175  -7.144  -7.144
  153    H    SER  23           H        SER  23   6.844  -7.622  -7.622
  154    HA   SER  23           HA       SER  23   6.196 -10.365 -10.365
  155   1HB   SER  23          1HB       SER  23   4.285  -9.021  -9.021
  156   2HB   SER  23          2HB       SER  23   4.637  -8.104  -8.104
  157    HG   SER  23           HG       SER  23   4.060 -10.027 -10.027
  158    H    ALA  24           H        ALA  24   7.157  -8.887  -8.887
  159    HA   ALA  24           HA       ALA  24   6.741 -11.486 -11.486
  160   1HB   ALA  24          2HB       ALA  24   6.429  -9.253  -9.253
  161   2HB   ALA  24          3HB       ALA  24   8.120  -8.815  -8.815
  162   3HB   ALA  24          1HB       ALA  24   7.748 -10.151 -10.151
  163    H    GLY  25           H        GLY  25   9.210  -9.930  -9.930
  164   1HA   GLY  25          1HA       GLY  25  11.392 -11.751 -11.751
  165   2HA   GLY  25          2HA       GLY  25  11.533 -10.634 -10.634
  166    H    VAL  26           H        VAL  26   9.491 -11.227 -11.227
  167    HA   VAL  26           HA       VAL  26  10.151 -13.691 -13.691
  168    HB   VAL  26           HB       VAL  26   7.630 -11.948 -11.948
  169   1HG1  VAL  26          1HG1      VAL  26   7.707 -14.508 -14.508
  170   2HG1  VAL  26          2HG1      VAL  26   6.493 -13.209 -13.209
  171   3HG1  VAL  26          3HG1      VAL  26   6.584 -14.185 -14.185
  172   1HG2  VAL  26          2HG2      VAL  26   9.551 -11.166 -11.166
  173   2HG2  VAL  26          3HG2      VAL  26   8.081 -11.462 -11.462
  174   3HG2  VAL  26          1HG2      VAL  26   9.413 -12.646 -12.646
  175    H    HIS  27           H        HIS  27   7.809 -13.026 -13.026
  176    HA   HIS  27           HA       HIS  27   6.806 -15.771 -15.771
  177   1HB   HIS  27          1HB       HIS  27   6.151 -13.319 -13.319
  178   2HB   HIS  27          2HB       HIS  27   7.259 -13.861 -13.861
  179    HD1  HIS  27           HD1      HIS  27   6.199 -15.462 -15.462
  180    HD2  HIS  27           HD2      HIS  27   4.096 -15.045 -15.045
  181    HE1  HIS  27           HE1      HIS  27   3.970 -16.615 -16.615
  182    HE2  HIS  27           HE2      HIS  27   2.580 -16.438 -16.438
  183    H    ARG  28           H        ARG  28   9.541 -14.094 -14.094
  184    HA   ARG  28           HA       ARG  28  10.394 -16.218 -16.218
  185   1HB   ARG  28          1HB       ARG  28  11.427 -13.707 -13.707
  186   2HB   ARG  28          2HB       ARG  28  12.666 -14.880 -14.880
  187   1HG   ARG  28          1HG       ARG  28  13.107 -15.396 -15.396
  188   2HG   ARG  28          2HG       ARG  28  11.503 -14.886 -14.886
  189   1HD   ARG  28          1HD       ARG  28  12.076 -12.536 -12.536
  190   2HD   ARG  28          2HD       ARG  28  13.486 -12.853 -12.853
  191    HE   ARG  28           HE       ARG  28  13.555 -14.200 -14.200
  192   1HH1  ARG  28          2HH1      ARG  28  14.556 -11.413 -11.413
  193   2HH1  ARG  28          1HH1      ARG  28  15.907 -11.023 -11.023
  194   1HH2  ARG  28          1HH2      ARG  28  15.035 -13.716 -13.716
  195   2HH2  ARG  28          2HH2      ARG  28  16.172 -12.271 -12.271
  196    H    LEU  29           H        LEU  29  11.316 -15.587 -15.587
  197    HA   LEU  29           HA       LEU  29  12.753 -18.155 -18.155
  198   1HB   LEU  29          1HB       LEU  29  11.510 -17.359 -17.359
  199   2HB   LEU  29          2HB       LEU  29  13.207 -17.377 -17.377
  200    HG   LEU  29           HG       LEU  29  11.289 -15.032 -15.032
  201   1HD1  LEU  29          3HD2      LEU  29  11.808 -15.440 -15.440
  202   2HD1  LEU  29          1HD2      LEU  29  13.521 -15.184 -15.184
  203   3HD1  LEU  29          2HD2      LEU  29  12.355 -13.855 -13.855
  204   1HD2  LEU  29          2HD1      LEU  29  13.246 -15.224 -15.224
  205   2HD2  LEU  29          3HD1      LEU  29  13.341 -13.757 -13.757
  206   3HD2  LEU  29          1HD1      LEU  29  14.368 -15.164 -15.164
  207    H    ALA  30           H        ALA  30   9.423 -17.201 -17.201
  208    HA   ALA  30           HA       ALA  30   8.376 -19.399 -19.399
  209   1HB   ALA  30          2HB       ALA  30   7.035 -17.398 -17.398
  210   2HB   ALA  30          3HB       ALA  30   7.108 -17.966 -17.966
  211   3HB   ALA  30          1HB       ALA  30   6.204 -18.895 -18.895
  212    H    ASN  31           H        ASN  31   9.509 -19.344 -19.344
  213    HA   ASN  31           HA       ASN  31   8.230 -21.825 -21.825
  214   1HB   ASN  31          2HB       ASN  31   9.809 -19.962 -19.962
  215   2HB   ASN  31          1HB       ASN  31  11.067 -21.125 -21.125
  216   1HD2  ASN  31          1HD2      ASN  31  10.132 -23.208 -23.208
  217   2HD2  ASN  31          2HD2      ASN  31  11.328 -22.849 -22.849
  218    H    GLY  32           H        GLY  32  11.531 -21.302 -21.302
  219   1HA   GLY  32          1HA       GLY  32  12.309 -24.087 -24.087
  220   2HA   GLY  32          2HA       GLY  32  12.927 -22.816 -22.816
  221    H    GLY  33           H        GLY  33  11.175 -22.043 -22.043
  222   1HA   GLY  33          1HA       GLY  33   9.117 -23.219 -23.219
  223   2HA   GLY  33          2HA       GLY  33  10.201 -24.620 -24.620
  224    H    ASN  34           H        ASN  34   9.590 -21.315 -21.315
  225    HA   ASN  34           HA       ASN  34  11.982 -21.313 -21.313
  226   1HB   ASN  34          1HB       ASN  34  11.245 -19.255 -19.255
  227   2HB   ASN  34          2HB       ASN  34   9.781 -19.158 -19.158
  228   1HD2  ASN  34          1HD2      ASN  34  11.707 -17.888 -17.888
  229   2HD2  ASN  34          2HD2      ASN  34  10.263 -18.973 -18.973
  230    H    GLY  35           H        GLY  35   8.531 -20.545 -20.545
  231   1HA   GLY  35          1HA       GLY  35   7.192 -21.697 -21.697
  232   2HA   GLY  35          2HA       GLY  35   8.682 -21.909 -21.909
  233    H    PHE  36           H        PHE  36   6.317 -19.634 -19.634
  234    HA   PHE  36           HA       PHE  36   7.044 -17.791 -17.791
  235   1HB   PHE  36          1HB       PHE  36   8.010 -16.666 -16.666
  236   2HB   PHE  36          2HB       PHE  36   6.651 -17.068 -17.068
  237    HD1  PHE  36           HD2      PHE  36   4.337 -15.899 -15.899
  238    HD2  PHE  36           HD1      PHE  36   8.091 -14.580 -14.580
  239    HE1  PHE  36           HE2      PHE  36   3.400 -13.647 -13.647
  240    HE2  PHE  36           HE1      PHE  36   7.151 -12.335 -12.335
  241    HZ   PHE  36           HZ       PHE  36   4.806 -11.858 -11.858
  242    H    TRP  37           H        TRP  37   4.730 -18.571 -18.571
  243    HA   TRP  37           HA       TRP  37   2.448 -17.386 -17.386
  244   1HB   TRP  37          1HB       TRP  37   1.127 -18.941 -18.941
  245   2HB   TRP  37          2HB       TRP  37   1.834 -17.414 -17.414
  246    HD1  TRP  37           HD1      TRP  37   2.157 -21.198 -21.198
  247    HE1  TRP  37           HE1      TRP  37   3.804 -21.739 -21.739
  248    HE3  TRP  37           HE3      TRP  37   3.985 -16.473 -16.473
  249    HZ2  TRP  37           HZ2      TRP  37   5.640 -20.144 -20.144
  250    HZ3  TRP  37           HZ3      TRP  37   5.736 -16.038 -16.038
  251    HH2  TRP  37           HH2      TRP  37   6.625 -17.866 -17.866
  252    HXT  TRP  37           HXT      TRP  37   1.775 -21.168 -21.168

  Start of MODEL    3
    1   1H    LYS   1          3H        LYS   1  20.016   5.082   5.082
    2   2H    LYS   1          1H        LYS   1  18.475   5.460   5.460
    3   3H    LYS   1          2H        LYS   1  19.818   6.237   6.237
    4    HA   LYS   1           HA       LYS   1  20.547   4.420   4.420
    5   1HB   LYS   1          1HB       LYS   1  17.603   5.061   5.061
    6   2HB   LYS   1          2HB       LYS   1  17.969   3.470   3.470
    7   1HG   LYS   1          1HG       LYS   1  18.190   4.823   4.823
    8   2HG   LYS   1          2HG       LYS   1  19.867   4.741   4.741
    9   1HD   LYS   1          1HD       LYS   1  18.640   7.022   7.022
   10   2HD   LYS   1          2HD       LYS   1  18.080   7.041   7.041
   11   1HE   LYS   1          1HE       LYS   1  21.043   6.425   6.425
   12   2HE   LYS   1          2HE       LYS   1  20.527   8.102   8.102
   13   1HZ   LYS   1          2HZ       LYS   1  19.569   6.696   6.696
   14   2HZ   LYS   1          3HZ       LYS   1  21.165   7.226   7.226
   15   3HZ   LYS   1          1HZ       LYS   1  19.907   8.327   8.327
   16    H    TYR   2           H        TYR   2  21.238   2.501   2.501
   17    HA   TYR   2           HA       TYR   2  19.559   0.406   0.406
   18   1HB   TYR   2          1HB       TYR   2  22.356  -0.130  -0.130
   19   2HB   TYR   2          2HB       TYR   2  21.027   0.091   0.091
   20    HD1  TYR   2           HD1      TYR   2  20.290   2.754   2.754
   21    HD2  TYR   2           HD2      TYR   2  24.187   1.301   1.301
   22    HE1  TYR   2           HE1      TYR   2  21.320   4.815   4.815
   23    HE2  TYR   2           HE2      TYR   2  25.199   3.355   3.355
   24    HH   TYR   2           HH       TYR   2  23.589   5.470   5.470
   25    H    TYR   3           H        TYR   3  19.904   0.862   0.862
   26    HA   TYR   3           HA       TYR   3  21.878  -1.293  -1.293
   27   1HB   TYR   3          2HB       TYR   3  19.951   0.316   0.316
   28   2HB   TYR   3          1HB       TYR   3  21.328  -0.615  -0.615
   29    HD1  TYR   3           HD2      TYR   3  21.862   1.452   1.452
   30    HD2  TYR   3           HD1      TYR   3  21.966   1.471   1.471
   31    HE1  TYR   3           HE2      TYR   3  23.129   3.557   3.557
   32    HE2  TYR   3           HE1      TYR   3  23.247   3.583   3.583
   33    HH   TYR   3           HH       TYR   3  24.666   4.801   4.801
   34    H    GLY   4           H        GLY   4  19.939  -2.238  -2.238
   35   1HA   GLY   4          2HA       GLY   4  18.760  -4.472  -4.472
   36   2HA   GLY   4          1HA       GLY   4  17.615  -3.210  -3.210
   37    H    ASN   5           H        ASN   5  17.749  -5.586  -5.586
   38    HA   ASN   5           HA       ASN   5  17.297  -4.498  -4.498
   39   1HB   ASN   5          1HB       ASN   5  15.812  -7.009  -7.009
   40   2HB   ASN   5          2HB       ASN   5  16.631  -6.739  -6.739
   41   1HD2  ASN   5          1HD2      ASN   5  19.829  -7.482  -7.482
   42   2HD2  ASN   5          2HD2      ASN   5  19.212  -6.021  -6.021
   43    H    GLY   6           H        GLY   6  15.248  -4.886  -4.886
   44   1HA   GLY   6          2HA       GLY   6  12.665  -4.676  -4.676
   45   2HA   GLY   6          1HA       GLY   6  12.926  -4.313  -4.313
   46    H    VAL   7           H        VAL   7  15.083  -2.310  -2.310
   47    HA   VAL   7           HA       VAL   7  12.996  -0.073  -0.073
   48    HB   VAL   7           HB       VAL   7  16.077   0.052   0.052
   49   1HG1  VAL   7          2HG2      VAL   7  14.945   2.275   2.275
   50   2HG1  VAL   7          3HG2      VAL   7  14.069   2.244   2.244
   51   3HG1  VAL   7          1HG2      VAL   7  15.848   2.347   2.347
   52   1HG2  VAL   7          3HG1      VAL   7  14.911  -1.160  -1.160
   53   2HG2  VAL   7          1HG1      VAL   7  15.917   0.250   0.250
   54   3HG2  VAL   7          2HG1      VAL   7  14.139   0.370   0.370
   55    H    HIS   8           H        HIS   8  12.817  -1.331  -1.331
   56    HA   HIS   8           HA       HIS   8  14.363   0.347   0.347
   57   1HB   HIS   8          1HB       HIS   8  13.959  -2.265  -2.265
   58   2HB   HIS   8          2HB       HIS   8  12.227  -1.934  -1.934
   59    HD1  HIS   8           HD1      HIS   8  14.408   0.648   0.648
   60    HD2  HIS   8           HD2      HIS   8  12.243  -3.040  -3.040
   61    HE1  HIS   8           HE1      HIS   8  14.056   0.226   0.226
   62    HE2  HIS   8           HE2      HIS   8  12.756  -2.008  -2.008
   63    H    CYS   9           H        CYS   9  13.028   1.857   1.857
   64    HA   CYS   9           HA       CYS   9  10.382   2.674   2.674
   65   1HB   CYS   9          1HB       CYS   9  12.854   4.541   4.541
   66   2HB   CYS   9          2HB       CYS   9  11.174   5.056   5.056
   67    H    THR  10           H        THR  10   9.425   2.505   2.505
   68    HA   THR  10           HA       THR  10  10.993   2.800   2.800
   69    HB   THR  10           HB       THR  10   8.477   2.594   2.594
   70    HG1  THR  10           HG1      THR  10   7.192   1.466   1.466
   71   1HG2  THR  10          3HG2      THR  10   9.766   0.179   0.179
   72   2HG2  THR  10          1HG2      THR  10   8.481   0.078   0.078
   73   3HG2  THR  10          2HG2      THR  10  10.086   0.643   0.643
   74    H    LYS  11           H        LYS  11   7.765   4.175   4.175
   75    HA   LYS  11           HA       LYS  11   8.984   6.911   6.911
   76   1HB   LYS  11          1HB       LYS  11   8.274   7.134   7.134
   77   2HB   LYS  11          2HB       LYS  11   8.693   5.428   5.428
   78   1HG   LYS  11          1HG       LYS  11   6.011   5.266   5.266
   79   2HG   LYS  11          2HG       LYS  11   5.960   6.751   6.751
   80   1HD   LYS  11          1HD       LYS  11   5.795   5.439   5.439
   81   2HD   LYS  11          2HD       LYS  11   7.444   4.848   4.848
   82   1HE   LYS  11          1HE       LYS  11   5.757   2.935   2.935
   83   2HE   LYS  11          2HE       LYS  11   6.623   3.011   3.011
   84   1HZ   LYS  11          2HZ       LYS  11   4.098   4.507   4.507
   85   2HZ   LYS  11          3HZ       LYS  11   4.072   2.855   2.855
   86   3HZ   LYS  11          1HZ       LYS  11   4.816   3.905   3.905
   87    H    SER  12           H        SER  12   7.361   5.627   5.627
   88    HA   SER  12           HA       SER  12   5.200   7.678   7.678
   89   1HB   SER  12          1HB       SER  12   4.178   5.895   5.895
   90   2HB   SER  12          2HB       SER  12   4.292   4.723   4.723
   91    HG   SER  12           HG       SER  12   2.863   7.204   7.204
   92    H    GLY  13           H        GLY  13   7.460   7.014   7.014
   93   1HA   GLY  13          2HA       GLY  13   7.741   7.109   7.109
   94   2HA   GLY  13          1HA       GLY  13   6.167   6.315   6.315
   95    H    CYS  14           H        CYS  14   6.972   4.842   4.842
   96    HA   CYS  14           HA       CYS  14   8.557   2.622   2.622
   97   1HB   CYS  14          1HB       CYS  14   8.876   3.361   3.361
   98   2HB   CYS  14          2HB       CYS  14   9.895   2.267   2.267
   99    H    SER  15           H        SER  15   7.004   3.082   3.082
  100    HA   SER  15           HA       SER  15   5.488   1.637   1.637
  101   1HB   SER  15          1HB       SER  15   3.888   0.764   0.764
  102   2HB   SER  15          2HB       SER  15   3.404   1.796   1.796
  103    HG   SER  15           HG       SER  15   4.400   3.562   3.562
  104    H    VAL  16           H        VAL  16   7.792   0.459   0.459
  105    HA   VAL  16           HA       VAL  16   7.667  -2.002  -2.002
  106    HB   VAL  16           HB       VAL  16   9.868  -1.373  -1.373
  107   1HG1  VAL  16          1HG1      VAL  16   9.152  -0.983  -0.983
  108   2HG1  VAL  16          2HG1      VAL  16  10.775  -0.807  -0.807
  109   3HG1  VAL  16          3HG1      VAL  16   9.502   0.310   0.310
  110   1HG2  VAL  16          2HG2      VAL  16   9.645  -3.848  -3.848
  111   2HG2  VAL  16          3HG2      VAL  16  10.913  -3.085  -3.085
  112   3HG2  VAL  16          1HG2      VAL  16   9.343  -3.477  -3.477
  113    H    ASN  17           H        ASN  17   6.368  -3.534  -3.534
  114    HA   ASN  17           HA       ASN  17   5.370  -4.376  -4.376
  115   1HB   ASN  17          2HB       ASN  17   3.732  -4.039  -4.039
  116   2HB   ASN  17          1HB       ASN  17   4.528  -5.354  -5.354
  117   1HD2  ASN  17          1HD2      ASN  17   1.687  -7.034  -7.034
  118   2HD2  ASN  17          2HD2      ASN  17   2.097  -5.881  -5.881
  119    H    TRP  18           H        TRP  18   5.687  -6.233  -6.233
  120    HA   TRP  18           HA       TRP  18   8.181  -7.644  -7.644
  121   1HB   TRP  18          2HB       TRP  18   6.496  -7.968  -7.968
  122   2HB   TRP  18          1HB       TRP  18   8.002  -8.808  -8.808
  123    HD1  TRP  18           HD1      TRP  18   6.857  -6.035  -6.035
  124    HE1  TRP  18           HE1      TRP  18   8.644  -4.125  -4.125
  125    HE3  TRP  18           HE3      TRP  18  10.122  -7.382  -7.382
  126    HZ2  TRP  18           HZ2      TRP  18  11.112  -3.436  -3.436
  127    HZ3  TRP  18           HZ3      TRP  18  12.109  -5.966  -5.966
  128    HH2  TRP  18           HH2      TRP  18  12.654  -4.083  -4.083
  129    H    GLY  19           H        GLY  19   4.812  -8.376  -8.376
  130   1HA   GLY  19          2HA       GLY  19   4.987 -11.239 -11.239
  131   2HA   GLY  19          1HA       GLY  19   3.494 -10.286 -10.286
  132    H    GLU  20           H        GLU  20   4.055  -8.222  -8.222
  133    HA   GLU  20           HA       GLU  20   3.533  -9.434  -9.434
  134   1HB   GLU  20          1HB       GLU  20   2.685  -7.272  -7.272
  135   2HB   GLU  20          2HB       GLU  20   3.877  -6.713  -6.713
  136   1HG   GLU  20          1HG       GLU  20   4.133  -5.422  -5.422
  137   2HG   GLU  20          2HG       GLU  20   5.568  -6.396  -6.396
  138    HE1  GLU  20           HE2      GLU  20   3.060  -7.504  -7.504
  139    H    ALA  21           H        ALA  21   6.394  -8.331  -8.331
  140    HA   ALA  21           HA       ALA  21   8.135  -8.558  -8.558
  141   1HB   ALA  21          2HB       ALA  21   8.693  -7.093  -7.093
  142   2HB   ALA  21          3HB       ALA  21   8.805  -8.521  -8.521
  143   3HB   ALA  21          1HB       ALA  21   9.987  -8.280  -8.280
  144    H    PHE  22           H        PHE  22   6.898 -10.800 -10.800
  145    HA   PHE  22           HA       PHE  22   8.812 -12.957 -12.957
  146   1HB   PHE  22          1HB       PHE  22   7.705 -13.090 -13.090
  147   2HB   PHE  22          2HB       PHE  22   6.119 -12.961 -12.961
  148    HD1  PHE  22           HD2      PHE  22   8.965 -15.277 -15.277
  149    HD2  PHE  22           HD1      PHE  22   4.998 -14.891 -14.891
  150    HE1  PHE  22           HE2      PHE  22   8.711 -17.729 -17.729
  151    HE2  PHE  22           HE1      PHE  22   4.764 -17.340 -17.340
  152    HZ   PHE  22           HZ       PHE  22   6.612 -18.766 -18.766
  153    H    SER  23           H        SER  23   5.639 -11.770 -11.770
  154    HA   SER  23           HA       SER  23   5.288 -13.885 -13.885
  155   1HB   SER  23          1HB       SER  23   3.419 -12.425 -12.425
  156   2HB   SER  23          2HB       SER  23   3.833 -11.163 -11.163
  157    HG   SER  23           HG       SER  23   2.500 -13.557 -13.557
  158    H    ALA  24           H        ALA  24   6.763 -10.735 -10.735
  159    HA   ALA  24           HA       ALA  24   7.330 -10.706 -10.706
  160   1HB   ALA  24          2HB       ALA  24   6.947  -8.569  -8.569
  161   2HB   ALA  24          3HB       ALA  24   8.340  -8.925  -8.925
  162   3HB   ALA  24          1HB       ALA  24   8.585  -8.576  -8.576
  163    H    GLY  25           H        GLY  25   8.776 -11.931 -11.931
  164   1HA   GLY  25          1HA       GLY  25  11.503 -12.248 -12.248
  165   2HA   GLY  25          2HA       GLY  25  11.022 -12.861 -12.861
  166    H    VAL  26           H        VAL  26   8.743 -14.158 -14.158
  167    HA   VAL  26           HA       VAL  26   9.514 -16.684 -16.684
  168    HB   VAL  26           HB       VAL  26   6.812 -15.359 -15.359
  169   1HG1  VAL  26          1HG1      VAL  26   7.000 -18.219 -18.219
  170   2HG1  VAL  26          2HG1      VAL  26   5.551 -17.494 -17.494
  171   3HG1  VAL  26          3HG1      VAL  26   6.191 -16.822 -16.822
  172   1HG2  VAL  26          2HG2      VAL  26   8.116 -16.326 -16.326
  173   2HG2  VAL  26          3HG2      VAL  26   6.561 -17.135 -17.135
  174   3HG2  VAL  26          1HG2      VAL  26   8.061 -17.936 -17.936
  175    H    HIS  27           H        HIS  27   7.860 -13.855 -13.855
  176    HA   HIS  27           HA       HIS  27   7.682 -14.966 -14.966
  177   1HB   HIS  27          1HB       HIS  27   6.466 -12.833 -12.833
  178   2HB   HIS  27          2HB       HIS  27   7.676 -11.927 -11.927
  179    HD1  HIS  27           HD1      HIS  27   6.559 -10.922 -10.922
  180    HD2  HIS  27           HD2      HIS  27   5.267 -14.836 -14.836
  181    HE1  HIS  27           HE1      HIS  27   4.824 -11.762 -11.762
  182    HE2  HIS  27           HE2      HIS  27   3.948 -14.149 -14.149
  183    H    ARG  28           H        ARG  28  10.116 -13.385 -13.385
  184    HA   ARG  28           HA       ARG  28  11.686 -12.625 -12.625
  185   1HB   ARG  28          1HB       ARG  28  11.857 -12.268 -12.268
  186   2HB   ARG  28          2HB       ARG  28  13.312 -13.141 -13.141
  187   1HG   ARG  28          1HG       ARG  28  12.473 -10.579 -10.579
  188   2HG   ARG  28          2HG       ARG  28  13.319 -10.473 -10.473
  189   1HD   ARG  28          1HD       ARG  28  15.263 -11.723 -11.723
  190   2HD   ARG  28          2HD       ARG  28  14.375 -12.094 -12.094
  191    HE   ARG  28           HE       ARG  28  14.671  -9.853  -9.853
  192   1HH1  ARG  28          2HH1      ARG  28  15.674 -10.051 -10.051
  193   2HH1  ARG  28          1HH1      ARG  28  16.430  -8.368  -8.368
  194   1HH2  ARG  28          1HH2      ARG  28  15.509  -8.041  -8.041
  195   2HH2  ARG  28          2HH2      ARG  28  16.343  -7.270  -7.270
  196    H    LEU  29           H        LEU  29  11.716 -15.304 -15.304
  197    HA   LEU  29           HA       LEU  29  13.904 -16.746 -16.746
  198   1HB   LEU  29          1HB       LEU  29  11.585 -18.051 -18.051
  199   2HB   LEU  29          2HB       LEU  29  13.188 -18.712 -18.712
  200    HG   LEU  29           HG       LEU  29  12.193 -16.885 -16.885
  201   1HD1  LEU  29          2HD1      LEU  29  13.146 -19.173 -19.173
  202   2HD1  LEU  29          3HD1      LEU  29  14.725 -18.654 -18.654
  203   3HD1  LEU  29          1HD1      LEU  29  14.082 -17.935 -17.935
  204   1HD2  LEU  29          2HD2      LEU  29  14.923 -16.193 -16.193
  205   2HD2  LEU  29          3HD2      LEU  29  13.505 -15.124 -15.124
  206   3HD2  LEU  29          1HD2      LEU  29  14.375 -15.615 -15.615
  207    H    ALA  30           H        ALA  30  10.402 -17.279 -17.279
  208    HA   ALA  30           HA       ALA  30  10.326 -19.161 -19.161
  209   1HB   ALA  30          2HB       ALA  30   8.317 -18.401 -18.401
  210   2HB   ALA  30          3HB       ALA  30   8.387 -16.796 -16.796
  211   3HB   ALA  30          1HB       ALA  30   7.991 -18.234 -18.234
  212    H    ASN  31           H        ASN  31  10.082 -15.634 -15.634
  213    HA   ASN  31           HA       ASN  31  10.243 -14.275 -14.275
  214   1HB   ASN  31          1HB       ASN  31  12.600 -14.425 -14.425
  215   2HB   ASN  31          2HB       ASN  31  12.662 -16.143 -16.143
  216   1HD2  ASN  31          1HD2      ASN  31  14.123 -15.410 -15.410
  217   2HD2  ASN  31          2HD2      ASN  31  13.981 -16.528 -16.528
  218    H    GLY  32           H        GLY  32   8.664 -16.815 -16.815
  219   1HA   GLY  32          1HA       GLY  32   7.547 -16.805 -16.805
  220   2HA   GLY  32          2HA       GLY  32   9.086 -17.605 -17.605
  221    H    GLY  33           H        GLY  33   7.011 -17.749 -17.749
  222   1HA   GLY  33          1HA       GLY  33   5.754 -20.285 -20.285
  223   2HA   GLY  33          2HA       GLY  33   7.411 -20.734 -20.734
  224    H    ASN  34           H        ASN  34   7.846 -20.943 -20.943
  225    HA   ASN  34           HA       ASN  34   6.212 -19.350 -19.350
  226   1HB   ASN  34          1HB       ASN  34   6.162 -22.344 -22.344
  227   2HB   ASN  34          2HB       ASN  34   6.358 -21.909 -21.909
  228   1HD2  ASN  34          1HD2      ASN  34   2.974 -20.361 -20.361
  229   2HD2  ASN  34          2HD2      ASN  34   4.654 -19.939 -19.939
  230    H    GLY  35           H        GLY  35   8.649 -21.928 -21.928
  231   1HA   GLY  35          1HA       GLY  35  10.969 -21.755 -21.755
  232   2HA   GLY  35          2HA       GLY  35  10.658 -20.120 -20.120
  233    H    PHE  36           H        PHE  36   9.563 -23.461 -23.461
  234    HA   PHE  36           HA       PHE  36   9.492 -22.860 -22.860
  235   1HB   PHE  36          1HB       PHE  36   8.223 -25.008 -25.008
  236   2HB   PHE  36          2HB       PHE  36   8.452 -25.383 -25.383
  237    HD1  PHE  36           HD2      PHE  36   7.586 -21.902 -21.902
  238    HD2  PHE  36           HD1      PHE  36   6.073 -25.633 -25.633
  239    HE1  PHE  36           HE2      PHE  36   5.418 -20.835 -20.835
  240    HE2  PHE  36           HE1      PHE  36   3.910 -24.564 -24.564
  241    HZ   PHE  36           HZ       PHE  36   3.575 -22.163 -22.163
  242    H    TRP  37           H        TRP  37  11.397 -24.429 -24.429
  243    HA   TRP  37           HA       TRP  37  12.431 -26.553 -26.553
  244   1HB   TRP  37          1HB       TRP  37  14.184 -25.666 -25.666
  245   2HB   TRP  37          2HB       TRP  37  13.643 -27.276 -27.276
  246    HD1  TRP  37           HD1      TRP  37  13.284 -24.834 -24.834
  247    HE1  TRP  37           HE1      TRP  37  11.109 -25.103 -25.103
  248    HE3  TRP  37           HE3      TRP  37  10.781 -27.931 -27.931
  249    HZ2  TRP  37           HZ2      TRP  37   8.690 -26.557 -26.557
  250    HZ3  TRP  37           HZ3      TRP  37   8.562 -28.803 -28.803
  251    HH2  TRP  37           HH2      TRP  37   7.472 -28.020 -28.020
  252    HXT  TRP  37           HXT      TRP  37  14.278 -23.725 -23.725

  Start of MODEL    4
    1   1H    LYS   1          3H        LYS   1  21.605   8.719   8.719
    2   2H    LYS   1          1H        LYS   1  21.873  10.062  10.062
    3   3H    LYS   1          2H        LYS   1  21.709  10.250  10.250
    4    HA   LYS   1           HA       LYS   1  19.469   9.762   9.762
    5   1HB   LYS   1          1HB       LYS   1  20.478  11.637  11.637
    6   2HB   LYS   1          2HB       LYS   1  18.756  11.284  11.284
    7   1HG   LYS   1          1HG       LYS   1  18.767  13.163  13.163
    8   2HG   LYS   1          2HG       LYS   1  18.957  11.899  11.899
    9   1HD   LYS   1          1HD       LYS   1  21.340  12.393  12.393
   10   2HD   LYS   1          2HD       LYS   1  21.362  13.323  13.323
   11   1HE   LYS   1          1HE       LYS   1  20.853  15.240  15.240
   12   2HE   LYS   1          2HE       LYS   1  19.274  14.552  14.552
   13   1HZ   LYS   1          3HZ       LYS   1  21.647  13.683  13.683
   14   2HZ   LYS   1          1HZ       LYS   1  20.927  15.163  15.163
   15   3HZ   LYS   1          2HZ       LYS   1  20.034  13.744  13.744
   16    H    TYR   2           H        TYR   2  19.028   7.746   7.746
   17    HA   TYR   2           HA       TYR   2  17.962   5.903   5.903
   18   1HB   TYR   2          1HB       TYR   2  18.028   7.390   7.390
   19   2HB   TYR   2          2HB       TYR   2  16.996   6.051   6.051
   20    HD1  TYR   2           HD1      TYR   2  15.058   6.358   6.358
   21    HD2  TYR   2           HD2      TYR   2  17.365   9.675   9.675
   22    HE1  TYR   2           HE1      TYR   2  13.261   7.916   7.916
   23    HE2  TYR   2           HE2      TYR   2  15.566  11.214  11.214
   24    HH   TYR   2           HH       TYR   2  13.489  10.847  10.847
   25    H    TYR   3           H        TYR   3  20.901   7.081   7.081
   26    HA   TYR   3           HA       TYR   3  22.498   6.385   6.385
   27   1HB   TYR   3          2HB       TYR   3  22.075   4.077   4.077
   28   2HB   TYR   3          1HB       TYR   3  23.467   4.121   4.121
   29    HD1  TYR   3           HD1      TYR   3  21.720   5.796   5.796
   30    HD2  TYR   3           HD2      TYR   3  25.353   5.636   5.636
   31    HE1  TYR   3           HE1      TYR   3  22.834   7.265   7.265
   32    HE2  TYR   3           HE2      TYR   3  26.448   7.103   7.103
   33    HH   TYR   3           HH       TYR   3  25.037   9.008   9.008
   34    H    GLY   4           H        GLY   4  19.982   5.850   5.850
   35   1HA   GLY   4          2HA       GLY   4  19.035   4.440   4.440
   36   2HA   GLY   4          1HA       GLY   4  20.682   4.562   4.562
   37    H    ASN   5           H        ASN   5  18.888   2.735   2.735
   38    HA   ASN   5           HA       ASN   5  20.825   0.449   0.449
   39   1HB   ASN   5          1HB       ASN   5  18.645   1.223   1.223
   40   2HB   ASN   5          2HB       ASN   5  18.800  -0.501  -0.501
   41   1HD2  ASN   5          1HD2      ASN   5  22.161  -0.381  -0.381
   42   2HD2  ASN   5          2HD2      ASN   5  21.478  -0.970  -0.970
   43    H    GLY   6           H        GLY   6  17.344   0.042   0.042
   44   1HA   GLY   6          1HA       GLY   6  17.009  -1.199  -1.199
   45   2HA   GLY   6          2HA       GLY   6  17.231  -2.430  -2.430
   46    H    VAL   7           H        VAL   7  15.757   0.714   0.714
   47    HA   VAL   7           HA       VAL   7  13.285  -0.391  -0.391
   48    HB   VAL   7           HB       VAL   7  13.396   2.315   2.315
   49   1HG1  VAL   7          1HG1      VAL   7  12.050   1.608   1.608
   50   2HG1  VAL   7          2HG1      VAL   7  12.066   3.217   3.217
   51   3HG1  VAL   7          3HG1      VAL   7  11.214   1.898   1.898
   52   1HG2  VAL   7          2HG2      VAL   7  15.565   2.195   2.195
   53   2HG2  VAL   7          3HG2      VAL   7  14.479   3.439   3.439
   54   3HG2  VAL   7          1HG2      VAL   7  14.651   1.891   1.891
   55    H    HIS   8           H        HIS   8  14.319   0.111   0.111
   56    HA   HIS   8           HA       HIS   8  13.320  -0.763  -0.763
   57   1HB   HIS   8          2HB       HIS   8  12.563  -2.585  -2.585
   58   2HB   HIS   8          1HB       HIS   8  10.955  -1.929  -1.929
   59    HD1  HIS   8           HD1      HIS   8  13.652  -4.174  -4.174
   60    HD2  HIS   8           HD2      HIS   8   9.840  -2.292  -2.292
   61    HE1  HIS   8           HE1      HIS   8  12.587  -5.192  -5.192
   62    HE2  HIS   8           HE2      HIS   8  10.240  -4.142  -4.142
   63    H    CYS   9           H        CYS   9  13.024   1.632   1.632
   64    HA   CYS   9           HA       CYS   9  10.079   2.327   2.327
   65   1HB   CYS   9          1HB       CYS   9  12.540   4.118   4.118
   66   2HB   CYS   9          2HB       CYS   9  10.886   4.663   4.663
   67    H    THR  10           H        THR  10   9.670   3.905   3.905
   68    HA   THR  10           HA       THR  10  11.082   3.148   3.148
   69    HB   THR  10           HB       THR  10   9.779   1.304   1.304
   70    HG1  THR  10           HG1      THR  10   7.842   1.831   1.831
   71   1HG2  THR  10          3HG2      THR  10   7.464   2.359   2.359
   72   2HG2  THR  10          1HG2      THR  10   7.495   0.785   0.785
   73   3HG2  THR  10          2HG2      THR  10   8.633   1.103   1.103
   74    H    LYS  11           H        LYS  11   7.959   4.353   4.353
   75    HA   LYS  11           HA       LYS  11   8.385   6.803   6.803
   76   1HB   LYS  11          1HB       LYS  11   5.973   5.018   5.018
   77   2HB   LYS  11          2HB       LYS  11   5.671   6.730   6.730
   78   1HG   LYS  11          1HG       LYS  11   6.207   6.612   6.612
   79   2HG   LYS  11          2HG       LYS  11   7.581   5.544   5.544
   80   1HD   LYS  11          1HD       LYS  11   6.315   3.704   3.704
   81   2HD   LYS  11          2HD       LYS  11   4.980   4.182   4.182
   82   1HE   LYS  11          1HE       LYS  11   5.504   5.669   5.669
   83   2HE   LYS  11          2HE       LYS  11   4.489   4.220   4.220
   84   1HZ   LYS  11          2HZ       LYS  11   3.178   5.319   5.319
   85   2HZ   LYS  11          3HZ       LYS  11   4.065   6.727   6.727
   86   3HZ   LYS  11          1HZ       LYS  11   3.112   6.108   6.108
   87    H    SER  12           H        SER  12   5.716   6.649   6.649
   88    HA   SER  12           HA       SER  12   6.870   9.050   9.050
   89   1HB   SER  12          1HB       SER  12   4.697   9.819   9.819
   90   2HB   SER  12          2HB       SER  12   4.403   8.806   8.806
   91    HG   SER  12           HG       SER  12   3.108   7.681   7.681
   92    H    GLY  13           H        GLY  13   5.718   5.809   5.809
   93   1HA   GLY  13          2HA       GLY  13   6.216   6.284   6.284
   94   2HA   GLY  13          1HA       GLY  13   5.106   5.058   5.058
   95    H    CYS  14           H        CYS  14   6.673   4.138   4.138
   96    HA   CYS  14           HA       CYS  14   8.832   2.672   2.672
   97   1HB   CYS  14          1HB       CYS  14   9.066   3.902   3.902
   98   2HB   CYS  14          2HB       CYS  14  10.220   2.708   2.708
   99    H    SER  15           H        SER  15   7.538   2.569   2.569
  100    HA   SER  15           HA       SER  15   6.457   0.786   0.786
  101   1HB   SER  15          1HB       SER  15   5.710  -0.492  -0.492
  102   2HB   SER  15          2HB       SER  15   4.792  -0.525  -0.525
  103    HG   SER  15           HG       SER  15   4.986   2.013   2.013
  104    H    VAL  16           H        VAL  16   8.299   0.086   0.086
  105    HA   VAL  16           HA       VAL  16   9.588  -2.292  -2.292
  106    HB   VAL  16           HB       VAL  16  11.154  -0.411  -0.411
  107   1HG1  VAL  16          1HG1      VAL  16  10.568  -0.628  -0.628
  108   2HG1  VAL  16          2HG1      VAL  16  11.864   0.343   0.343
  109   3HG1  VAL  16          3HG1      VAL  16  10.188   0.761   0.761
  110   1HG2  VAL  16          2HG2      VAL  16  12.145  -2.731  -2.731
  111   2HG2  VAL  16          3HG2      VAL  16  12.982  -1.537  -1.537
  112   3HG2  VAL  16          1HG2      VAL  16  11.836  -2.674  -2.674
  113    H    ASN  17           H        ASN  17   7.508  -3.232  -3.232
  114    HA   ASN  17           HA       ASN  17   7.292  -4.046  -4.046
  115   1HB   ASN  17          2HB       ASN  17   5.646  -4.489  -4.489
  116   2HB   ASN  17          1HB       ASN  17   6.659  -5.862  -5.862
  117   1HD2  ASN  17          1HD2      ASN  17   3.889  -7.145  -7.145
  118   2HD2  ASN  17          2HD2      ASN  17   4.088  -6.350  -6.350
  119    H    TRP  18           H        TRP  18   8.508  -5.041  -5.041
  120    HA   TRP  18           HA       TRP  18  11.070  -6.170  -6.170
  121   1HB   TRP  18          2HB       TRP  18   9.647  -6.253  -6.253
  122   2HB   TRP  18          1HB       TRP  18  11.247  -6.918  -6.918
  123    HD1  TRP  18           HD1      TRP  18   9.859  -4.003  -4.003
  124    HE1  TRP  18           HE1      TRP  18  11.271  -1.760  -1.760
  125    HE3  TRP  18           HE3      TRP  18  12.937  -5.585  -5.585
  126    HZ2  TRP  18           HZ2      TRP  18  13.509  -1.014  -1.014
  127    HZ3  TRP  18           HZ3      TRP  18  14.632  -4.024  -4.024
  128    HH2  TRP  18           HH2      TRP  18  14.893  -1.758  -1.758
  129    H    GLY  19           H        GLY  19   8.011  -7.517  -7.517
  130   1HA   GLY  19          2HA       GLY  19   8.882 -10.357 -10.357
  131   2HA   GLY  19          1HA       GLY  19   7.205  -9.788  -9.788
  132    H    GLU  20           H        GLU  20   7.536  -8.089  -8.089
  133    HA   GLU  20           HA       GLU  20   7.351 -10.039 -10.039
  134   1HB   GLU  20          1HB       GLU  20   7.126  -7.093  -7.093
  135   2HB   GLU  20          2HB       GLU  20   7.882  -7.443  -7.443
  136   1HG   GLU  20          1HG       GLU  20   5.388  -9.074  -9.074
  137   2HG   GLU  20          2HG       GLU  20   5.078  -7.358  -7.358
  138    HE1  GLU  20           HE2      GLU  20   6.195  -8.938  -8.938
  139    H    ALA  21           H        ALA  21   9.998  -8.262  -8.262
  140    HA   ALA  21           HA       ALA  21  11.761  -8.662  -8.662
  141   1HB   ALA  21          2HB       ALA  21  12.097  -6.784  -6.784
  142   2HB   ALA  21          3HB       ALA  21  12.408  -7.959  -7.959
  143   3HB   ALA  21          1HB       ALA  21  13.547  -7.805  -7.805
  144    H    PHE  22           H        PHE  22  10.977 -10.448 -10.448
  145    HA   PHE  22           HA       PHE  22  13.093 -12.516 -12.516
  146   1HB   PHE  22          1HB       PHE  22  11.680 -11.978 -11.978
  147   2HB   PHE  22          2HB       PHE  22  10.467 -13.008 -13.008
  148    HD1  PHE  22           HD2      PHE  22  13.951 -12.974 -12.974
  149    HD2  PHE  22           HD1      PHE  22  10.702 -15.417 -15.417
  150    HE1  PHE  22           HE2      PHE  22  15.032 -14.972 -14.972
  151    HE2  PHE  22           HE1      PHE  22  11.794 -17.408 -17.408
  152    HZ   PHE  22           HZ       PHE  22  13.956 -17.192 -17.192
  153    H    SER  23           H        SER  23   9.776 -11.903 -11.903
  154    HA   SER  23           HA       SER  23   9.594 -14.499 -14.499
  155   1HB   SER  23          1HB       SER  23   7.706 -12.618 -12.618
  156   2HB   SER  23          2HB       SER  23   7.801 -12.223 -12.223
  157    HG   SER  23           HG       SER  23   7.461 -14.890 -14.890
  158    H    ALA  24           H        ALA  24  10.690 -11.252 -11.252
  159    HA   ALA  24           HA       ALA  24  11.153 -11.851 -11.851
  160   1HB   ALA  24          2HB       ALA  24  10.626  -9.517  -9.517
  161   2HB   ALA  24          3HB       ALA  24  12.092  -9.516  -9.516
  162   3HB   ALA  24          1HB       ALA  24  12.226  -9.539  -9.539
  163    H    GLY  25           H        GLY  25  12.851 -12.260 -12.260
  164   1HA   GLY  25          1HA       GLY  25  15.497 -12.750 -12.750
  165   2HA   GLY  25          2HA       GLY  25  15.174 -12.983 -12.983
  166    H    VAL  26           H        VAL  26  12.987 -14.478 -14.478
  167    HA   VAL  26           HA       VAL  26  13.817 -17.190 -17.190
  168    HB   VAL  26           HB       VAL  26  11.076 -15.867 -15.867
  169   1HG1  VAL  26          1HG1      VAL  26  11.343 -18.915 -18.915
  170   2HG1  VAL  26          2HG1      VAL  26   9.894 -18.087 -18.087
  171   3HG1  VAL  26          3HG1      VAL  26  10.443 -17.757 -17.757
  172   1HG2  VAL  26          2HG2      VAL  26  12.503 -16.314 -16.314
  173   2HG2  VAL  26          3HG2      VAL  26  10.976 -17.202 -17.202
  174   3HG2  VAL  26          1HG2      VAL  26  12.486 -18.055 -18.055
  175    H    HIS  27           H        HIS  27  12.103 -14.813 -14.813
  176    HA   HIS  27           HA       HIS  27  11.678 -16.745 -16.745
  177   1HB   HIS  27          1HB       HIS  27  10.330 -14.469 -14.469
  178   2HB   HIS  27          2HB       HIS  27  11.701 -13.607 -13.607
  179    HD1  HIS  27           HD1      HIS  27  11.923 -13.656 -13.656
  180    HD2  HIS  27           HD2      HIS  27   8.744 -15.839 -15.839
  181    HE1  HIS  27           HE1      HIS  27  10.236 -14.335 -14.335
  182    HE2  HIS  27           HE2      HIS  27   8.237 -15.680 -15.680
  183    H    ARG  28           H        ARG  28  14.020 -14.346 -14.346
  184    HA   ARG  28           HA       ARG  28  15.582 -14.271 -14.271
  185   1HB   ARG  28          1HB       ARG  28  16.050 -12.868 -12.868
  186   2HB   ARG  28          2HB       ARG  28  16.489 -14.291 -14.291
  187   1HG   ARG  28          1HG       ARG  28  18.680 -14.265 -14.265
  188   2HG   ARG  28          2HG       ARG  28  18.135 -14.060 -14.060
  189   1HD   ARG  28          1HD       ARG  28  18.386 -11.825 -11.825
  190   2HD   ARG  28          2HD       ARG  28  19.484 -12.103 -12.103
  191    HE   ARG  28           HE       ARG  28  16.581 -11.777 -11.777
  192   1HH1  ARG  28          2HH1      ARG  28  19.660 -10.193 -10.193
  193   2HH1  ARG  28          1HH1      ARG  28  19.131  -8.815  -8.815
  194   1HH2  ARG  28          1HH2      ARG  28  16.082 -10.256 -10.256
  195   2HH2  ARG  28          2HH2      ARG  28  17.188  -8.844  -8.844
  196    H    LEU  29           H        LEU  29  15.683 -16.590 -16.590
  197    HA   LEU  29           HA       LEU  29  17.585 -18.363 -18.363
  198   1HB   LEU  29          1HB       LEU  29  15.752 -19.405 -19.405
  199   2HB   LEU  29          2HB       LEU  29  17.407 -19.855 -19.855
  200    HG   LEU  29           HG       LEU  29  16.385 -17.414 -17.414
  201   1HD1  LEU  29          3HD2      LEU  29  16.927 -19.619 -19.619
  202   2HD1  LEU  29          1HD2      LEU  29  18.614 -19.436 -19.436
  203   3HD1  LEU  29          2HD2      LEU  29  17.867 -18.222 -18.222
  204   1HD2  LEU  29          2HD1      LEU  29  18.092 -16.608 -16.608
  205   2HD2  LEU  29          3HD1      LEU  29  18.673 -16.426 -16.426
  206   3HD2  LEU  29          1HD1      LEU  29  19.272 -17.758 -17.758
  207    H    ALA  30           H        ALA  30  14.137 -18.030 -18.030
  208    HA   ALA  30           HA       ALA  30  13.339 -20.621 -20.621
  209   1HB   ALA  30          2HB       ALA  30  11.755 -18.853 -18.853
  210   2HB   ALA  30          3HB       ALA  30  12.052 -17.847 -17.847
  211   3HB   ALA  30          1HB       ALA  30  11.219 -19.413 -19.413
  212    H    ASN  31           H        ASN  31  14.643 -17.879 -17.879
  213    HA   ASN  31           HA       ASN  31  14.139 -18.989 -18.989
  214   1HB   ASN  31          2HB       ASN  31  14.729 -16.607 -16.607
  215   2HB   ASN  31          1HB       ASN  31  16.127 -16.936 -16.936
  216   1HD2  ASN  31          1HD2      ASN  31  18.279 -17.096 -17.096
  217   2HD2  ASN  31          2HD2      ASN  31  18.090 -17.163 -17.163
  218    H    GLY  32           H        GLY  32  16.933 -19.066 -19.066
  219   1HA   GLY  32          1HA       GLY  32  18.014 -21.420 -21.420
  220   2HA   GLY  32          2HA       GLY  32  18.994 -20.431 -20.431
  221    H    GLY  33           H        GLY  33  15.847 -22.059 -22.059
  222   1HA   GLY  33          1HA       GLY  33  16.017 -22.789 -22.789
  223   2HA   GLY  33          2HA       GLY  33  15.090 -23.717 -23.717
  224    H    ASN  34           H        ASN  34  17.799 -23.545 -23.545
  225    HA   ASN  34           HA       ASN  34  19.401 -25.704 -25.704
  226   1HB   ASN  34          1HB       ASN  34  20.599 -24.403 -24.403
  227   2HB   ASN  34          2HB       ASN  34  19.270 -24.348 -24.348
  228   1HD2  ASN  34          1HD2      ASN  34  21.991 -27.328 -27.328
  229   2HD2  ASN  34          2HD2      ASN  34  21.882 -26.361 -26.361
  230    H    GLY  35           H        GLY  35  17.671 -25.865 -25.865
  231   1HA   GLY  35          1HA       GLY  35  16.488 -28.546 -28.546
  232   2HA   GLY  35          2HA       GLY  35  17.265 -28.445 -28.445
  233    H    PHE  36           H        PHE  36  15.303 -26.027 -26.027
  234    HA   PHE  36           HA       PHE  36  13.049 -26.612 -26.612
  235   1HB   PHE  36          1HB       PHE  36  14.529 -24.570 -24.570
  236   2HB   PHE  36          2HB       PHE  36  14.033 -23.754 -23.754
  237    HD1  PHE  36           HD1      PHE  36  12.536 -25.407 -25.407
  238    HD2  PHE  36           HD2      PHE  36  12.082 -22.381 -22.381
  239    HE1  PHE  36           HE1      PHE  36  10.631 -24.462 -24.462
  240    HE2  PHE  36           HE2      PHE  36  10.174 -21.439 -21.439
  241    HZ   PHE  36           HZ       PHE  36   9.447 -22.474 -22.474
  242    H    TRP  37           H        TRP  37  13.713 -26.926 -26.926
  243    HA   TRP  37           HA       TRP  37  12.677 -26.413 -26.413
  244   1HB   TRP  37          2HB       TRP  37  10.023 -26.393 -26.393
  245   2HB   TRP  37          1HB       TRP  37  10.310 -27.048 -27.048
  246    HD1  TRP  37           HD1      TRP  37  11.628 -29.483 -29.483
  247    HE1  TRP  37           HE1      TRP  37  11.943 -31.505 -31.505
  248    HE3  TRP  37           HE3      TRP  37  10.286 -26.923 -26.923
  249    HZ2  TRP  37           HZ2      TRP  37  11.604 -31.740 -31.740
  250    HZ3  TRP  37           HZ3      TRP  37  10.235 -28.109 -28.109
  251    HH2  TRP  37           HH2      TRP  37  10.862 -30.489 -30.489
  252    HXT  TRP  37           HXT      TRP  37  12.233 -22.920 -22.920

  Start of MODEL    5
    1   1H    LYS   1          2H        LYS   1  16.461   4.197   4.197
    2   2H    LYS   1          3H        LYS   1  15.230   5.318   5.318
    3   3H    LYS   1          1H        LYS   1  16.783   5.841   5.841
    4    HA   LYS   1           HA       LYS   1  17.631   5.452   5.452
    5   1HB   LYS   1          1HB       LYS   1  14.702   6.331   6.331
    6   2HB   LYS   1          2HB       LYS   1  15.469   5.969   5.969
    7   1HG   LYS   1          1HG       LYS   1  15.763   8.373   8.373
    8   2HG   LYS   1          2HG       LYS   1  17.349   7.628   7.628
    9   1HD   LYS   1          1HD       LYS   1  17.382   8.892   8.892
   10   2HD   LYS   1          2HD       LYS   1  16.426   7.570   7.570
   11   1HE   LYS   1          1HE       LYS   1  14.431   8.791   8.791
   12   2HE   LYS   1          2HE       LYS   1  14.753   9.528   9.528
   13   1HZ   LYS   1          1HZ       LYS   1  16.517  10.340  10.340
   14   2HZ   LYS   1          2HZ       LYS   1  14.924  10.873  10.873
   15   3HZ   LYS   1          3HZ       LYS   1  15.874  11.239  11.239
   16    H    TYR   2           H        TYR   2  18.135   4.116   4.116
   17    HA   TYR   2           HA       TYR   2  18.184   2.004   2.004
   18   1HB   TYR   2          1HB       TYR   2  15.105   1.967   1.967
   19   2HB   TYR   2          2HB       TYR   2  16.170   1.360   1.360
   20    HD1  TYR   2           HD2      TYR   2  15.331   4.686   4.686
   21    HD2  TYR   2           HD1      TYR   2  16.409   2.569   2.569
   22    HE1  TYR   2           HE2      TYR   2  15.049   6.747   6.747
   23    HE2  TYR   2           HE1      TYR   2  16.126   4.649   4.649
   24    HH   TYR   2           HH       TYR   2  16.203   7.110   7.110
   25    H    TYR   3           H        TYR   3  18.404   1.893   1.893
   26    HA   TYR   3           HA       TYR   3  16.656  -0.379  -0.379
   27   1HB   TYR   3          1HB       TYR   3  18.513  -0.241  -0.241
   28   2HB   TYR   3          2HB       TYR   3  17.217   0.920   0.920
   29    HD1  TYR   3           HD1      TYR   3  20.882   0.514   0.514
   30    HD2  TYR   3           HD2      TYR   3  17.564   3.243   3.243
   31    HE1  TYR   3           HE1      TYR   3  22.441   2.428   2.428
   32    HE2  TYR   3           HE2      TYR   3  19.125   5.140   5.140
   33    HH   TYR   3           HH       TYR   3  21.565   5.499   5.499
   34    H    GLY   4           H        GLY   4  18.741  -0.562  -0.562
   35   1HA   GLY   4          1HA       GLY   4  20.581  -2.696  -2.696
   36   2HA   GLY   4          2HA       GLY   4  20.192  -2.351  -2.351
   37    H    ASN   5           H        ASN   5  17.353  -2.533  -2.533
   38    HA   ASN   5           HA       ASN   5  17.030  -5.488  -5.488
   39   1HB   ASN   5          1HB       ASN   5  15.075  -3.093  -3.093
   40   2HB   ASN   5          2HB       ASN   5  14.452  -4.726  -4.726
   41   1HD2  ASN   5          1HD2      ASN   5  14.825  -3.381  -3.381
   42   2HD2  ASN   5          2HD2      ASN   5  14.278  -2.527  -2.527
   43    H    GLY   6           H        GLY   6  15.778  -3.007  -3.007
   44   1HA   GLY   6          1HA       GLY   6  16.067  -3.637  -3.637
   45   2HA   GLY   6          2HA       GLY   6  15.474  -5.256  -5.256
   46    H    VAL   7           H        VAL   7  14.658  -1.812  -1.812
   47    HA   VAL   7           HA       VAL   7  11.705  -2.611  -2.611
   48    HB   VAL   7           HB       VAL   7  12.833  -0.905  -0.905
   49   1HG1  VAL   7          2HG2      VAL   7  13.636   0.732   0.732
   50   2HG1  VAL   7          3HG2      VAL   7  11.943   1.110   1.110
   51   3HG1  VAL   7          1HG2      VAL   7  12.630   1.477   1.477
   52   1HG2  VAL   7          3HG1      VAL   7  10.283  -1.495  -1.495
   53   2HG2  VAL   7          1HG1      VAL   7  10.682   0.106   0.106
   54   3HG2  VAL   7          2HG1      VAL   7  10.089  -0.069  -0.069
   55    H    HIS   8           H        HIS   8  14.301  -0.754  -0.754
   56    HA   HIS   8           HA       HIS   8  14.453   0.234   0.234
   57   1HB   HIS   8          2HB       HIS   8  13.756  -2.320  -2.320
   58   2HB   HIS   8          1HB       HIS   8  12.107  -1.740  -1.740
   59    HD1  HIS   8           HD1      HIS   8  15.564  -0.400  -0.400
   60    HD2  HIS   8           HD2      HIS   8  11.541  -1.644  -1.644
   61    HE1  HIS   8           HE1      HIS   8  15.177  -0.196  -0.196
   62    HE2  HIS   8           HE2      HIS   8  12.750  -0.915  -0.915
   63    H    CYS   9           H        CYS   9  13.414   1.910   1.910
   64    HA   CYS   9           HA       CYS   9  10.614   2.633   2.633
   65   1HB   CYS   9          1HB       CYS   9  11.501   3.837   3.837
   66   2HB   CYS   9          2HB       CYS   9  13.107   3.992   3.992
   67    H    THR  10           H        THR  10   9.661   2.965   2.965
   68    HA   THR  10           HA       THR  10  11.167   4.143   4.143
   69    HB   THR  10           HB       THR  10   8.202   3.698   3.698
   70    HG1  THR  10           HG1      THR  10   8.436   1.457   1.457
   71   1HG2  THR  10          3HG2      THR  10  10.564   2.495   2.495
   72   2HG2  THR  10          1HG2      THR  10   8.839   2.328   2.328
   73   3HG2  THR  10          2HG2      THR  10   9.605   3.914   3.914
   74    H    LYS  11           H        LYS  11   9.143   5.394   5.394
   75    HA   LYS  11           HA       LYS  11   8.798   7.879   7.879
   76   1HB   LYS  11          1HB       LYS  11   8.281   7.919   7.919
   77   2HB   LYS  11          2HB       LYS  11   8.881   9.208   9.208
   78   1HG   LYS  11          1HG       LYS  11  11.124   8.009   8.009
   79   2HG   LYS  11          2HG       LYS  11  10.504   6.679   6.679
   80   1HD   LYS  11          1HD       LYS  11  10.679   9.599   9.599
   81   2HD   LYS  11          2HD       LYS  11  12.024   8.451   8.451
   82   1HE   LYS  11          1HE       LYS  11  10.762   6.942   6.942
   83   2HE   LYS  11          2HE       LYS  11   9.208   7.682   7.682
   84   1HZ   LYS  11          3HZ       LYS  11  11.152   9.541   9.541
   85   2HZ   LYS  11          1HZ       LYS  11  10.667   8.335   8.335
   86   3HZ   LYS  11          2HZ       LYS  11   9.521   9.343   9.343
   87    H    SER  12           H        SER  12   7.225   5.597   5.597
   88    HA   SER  12           HA       SER  12   4.645   7.044   7.044
   89   1HB   SER  12          1HB       SER  12   3.496   4.964   4.964
   90   2HB   SER  12          2HB       SER  12   3.946   6.451   6.451
   91    HG   SER  12           HG       SER  12   4.721   4.106   4.106
   92    H    GLY  13           H        GLY  13   6.216   6.151   6.151
   93   1HA   GLY  13          1HA       GLY  13   5.079   4.916   4.916
   94   2HA   GLY  13          2HA       GLY  13   4.890   3.528   3.528
   95    H    CYS  14           H        CYS  14   6.460   4.172   4.172
   96    HA   CYS  14           HA       CYS  14   9.134   3.150   3.150
   97   1HB   CYS  14          1HB       CYS  14   8.702   5.588   5.588
   98   2HB   CYS  14          2HB       CYS  14  10.273   4.792   4.792
   99    H    SER  15           H        SER  15   7.436   4.022   4.022
  100    HA   SER  15           HA       SER  15   8.885   1.783   1.783
  101   1HB   SER  15          1HB       SER  15   6.796   3.776   3.776
  102   2HB   SER  15          2HB       SER  15   7.745   2.680   2.680
  103    HG   SER  15           HG       SER  15   8.991   4.400   4.400
  104    H    VAL  16           H        VAL  16   8.142   0.074   0.074
  105    HA   VAL  16           HA       VAL  16   5.237  -0.661  -0.661
  106    HB   VAL  16           HB       VAL  16   6.252  -1.599  -1.599
  107   1HG1  VAL  16          1HG1      VAL  16   8.756  -2.531  -2.531
  108   2HG1  VAL  16          2HG1      VAL  16   8.437  -2.838  -2.838
  109   3HG1  VAL  16          3HG1      VAL  16   8.691  -1.193  -1.193
  110   1HG2  VAL  16          2HG2      VAL  16   5.062  -3.474  -3.474
  111   2HG2  VAL  16          3HG2      VAL  16   6.384  -4.071  -4.071
  112   3HG2  VAL  16          1HG2      VAL  16   6.599  -3.959  -3.959
  113    H    ASN  17           H        ASN  17   4.276  -2.164  -2.164
  114    HA   ASN  17           HA       ASN  17   5.736  -2.887  -2.887
  115   1HB   ASN  17          2HB       ASN  17   3.140  -1.972  -1.972
  116   2HB   ASN  17          1HB       ASN  17   2.833  -3.688  -3.688
  117   1HD2  ASN  17          1HD2      ASN  17   2.285  -3.058  -3.058
  118   2HD2  ASN  17          2HD2      ASN  17   1.472  -2.733  -2.733
  119    H    TRP  18           H        TRP  18   6.991  -4.494  -4.494
  120    HA   TRP  18           HA       TRP  18   6.347  -6.729  -6.729
  121   1HB   TRP  18          2HB       TRP  18   8.681  -6.244  -6.244
  122   2HB   TRP  18          1HB       TRP  18   8.598  -7.663  -7.663
  123    HD1  TRP  18           HD1      TRP  18  10.186  -4.372  -4.372
  124    HE1  TRP  18           HE1      TRP  18  11.022  -3.504  -3.504
  125    HE3  TRP  18           HE3      TRP  18   7.468  -7.651  -7.651
  126    HZ2  TRP  18           HZ2      TRP  18  10.388  -4.260  -4.260
  127    HZ3  TRP  18           HZ3      TRP  18   7.659  -7.578  -7.578
  128    HH2  TRP  18           HH2      TRP  18   9.035  -5.858  -5.858
  129    H    GLY  19           H        GLY  19   6.356  -6.121  -6.121
  130   1HA   GLY  19          2HA       GLY  19   5.855  -8.912  -8.912
  131   2HA   GLY  19          1HA       GLY  19   5.420  -7.465  -7.465
  132    H    GLU  20           H        GLU  20   3.777  -6.193  -6.193
  133    HA   GLU  20           HA       GLU  20   1.230  -7.588  -7.588
  134   1HB   GLU  20          1HB       GLU  20   2.069  -5.021  -5.021
  135   2HB   GLU  20          2HB       GLU  20   1.366  -5.629  -5.629
  136   1HG   GLU  20          1HG       GLU  20  -0.307  -5.867  -5.867
  137   2HG   GLU  20          2HG       GLU  20  -0.093  -4.270  -4.270
  138    HE1  GLU  20           HE2      GLU  20  -2.060  -5.002  -5.002
  139    H    ALA  21           H        ALA  21   3.487  -7.510  -7.510
  140    HA   ALA  21           HA       ALA  21   1.666  -8.926  -8.926
  141   1HB   ALA  21          2HB       ALA  21   3.636  -7.529  -7.529
  142   2HB   ALA  21          3HB       ALA  21   4.768  -8.655  -8.655
  143   3HB   ALA  21          1HB       ALA  21   3.801  -9.186  -9.186
  144    H    PHE  22           H        PHE  22   3.873  -9.928  -9.928
  145    HA   PHE  22           HA       PHE  22   3.652 -12.822 -12.822
  146   1HB   PHE  22          1HB       PHE  22   5.247 -11.338 -11.338
  147   2HB   PHE  22          2HB       PHE  22   4.087 -12.018 -12.018
  148    HD1  PHE  22           HD2      PHE  22   5.840 -13.509 -13.509
  149    HD2  PHE  22           HD1      PHE  22   5.086 -13.742 -13.742
  150    HE1  PHE  22           HE2      PHE  22   7.180 -15.574 -15.574
  151    HE2  PHE  22           HE1      PHE  22   6.409 -15.812 -15.812
  152    HZ   PHE  22           HZ       PHE  22   7.465 -16.731 -16.731
  153    H    SER  23           H        SER  23   1.834 -10.517 -10.517
  154    HA   SER  23           HA       SER  23  -0.048 -12.630 -12.630
  155   1HB   SER  23          1HB       SER  23  -0.080 -10.741 -10.741
  156   2HB   SER  23          2HB       SER  23   0.019  -9.574  -9.574
  157    HG   SER  23           HG       SER  23  -2.112 -10.276 -10.276
  158    H    ALA  24           H        ALA  24   0.279 -10.551 -10.551
  159    HA   ALA  24           HA       ALA  24  -2.393 -11.423 -11.423
  160   1HB   ALA  24          2HB       ALA  24  -1.415  -9.150  -9.150
  161   2HB   ALA  24          3HB       ALA  24  -0.007  -9.910  -9.910
  162   3HB   ALA  24          1HB       ALA  24  -1.627 -10.078 -10.078
  163    H    GLY  25           H        GLY  25   0.903 -12.531 -12.531
  164   1HA   GLY  25          1HA       GLY  25   0.342 -14.462 -14.462
  165   2HA   GLY  25          2HA       GLY  25   1.814 -14.404 -14.404
  166    H    VAL  26           H        VAL  26   0.844 -14.427 -14.427
  167    HA   VAL  26           HA       VAL  26   0.165 -17.180 -17.180
  168    HB   VAL  26           HB       VAL  26  -0.219 -14.539 -14.539
  169   1HG1  VAL  26          1HG1      VAL  26  -1.229 -17.203 -17.203
  170   2HG1  VAL  26          2HG1      VAL  26  -1.012 -15.671 -15.671
  171   3HG1  VAL  26          3HG1      VAL  26  -2.224 -15.777 -15.777
  172   1HG2  VAL  26          2HG2      VAL  26   2.065 -15.648 -15.648
  173   2HG2  VAL  26          3HG2      VAL  26   1.364 -15.495 -15.495
  174   3HG2  VAL  26          1HG2      VAL  26   1.356 -17.076 -17.076
  175    H    HIS  27           H        HIS  27  -1.930 -14.406 -14.406
  176    HA   HIS  27           HA       HIS  27  -4.403 -16.013 -16.013
  177   1HB   HIS  27          1HB       HIS  27  -3.535 -13.213 -13.213
  178   2HB   HIS  27          2HB       HIS  27  -4.993 -13.769 -13.769
  179    HD1  HIS  27           HD1      HIS  27  -4.647 -11.446 -11.446
  180    HD2  HIS  27           HD2      HIS  27  -6.247 -15.441 -15.441
  181    HE1  HIS  27           HE1      HIS  27  -6.300 -11.702 -11.702
  182    HE2  HIS  27           HE2      HIS  27  -7.356 -14.101 -14.101
  183    H    ARG  28           H        ARG  28  -2.342 -15.166 -15.166
  184    HA   ARG  28           HA       ARG  28  -3.942 -16.187 -16.187
  185   1HB   ARG  28          1HB       ARG  28  -1.401 -15.197 -15.197
  186   2HB   ARG  28          2HB       ARG  28  -0.959 -16.894 -16.894
  187   1HG   ARG  28          1HG       ARG  28  -1.845 -17.213 -17.213
  188   2HG   ARG  28          2HG       ARG  28  -2.831 -15.757 -15.757
  189   1HD   ARG  28          1HD       ARG  28  -0.977 -15.139 -15.139
  190   2HD   ARG  28          2HD       ARG  28  -0.557 -14.432 -14.432
  191    HE   ARG  28           HE       ARG  28   1.174 -16.042 -16.042
  192   1HH1  ARG  28          2HH1      ARG  28  -0.759 -16.967 -16.967
  193   2HH1  ARG  28          1HH1      ARG  28   0.452 -18.259 -18.259
  194   1HH2  ARG  28          1HH2      ARG  28   2.435 -17.459 -17.459
  195   2HH2  ARG  28          2HH2      ARG  28   2.191 -18.531 -18.531
  196    H    LEU  29           H        LEU  29  -1.909 -17.923 -17.923
  197    HA   LEU  29           HA       LEU  29  -2.636 -20.542 -20.542
  198   1HB   LEU  29          1HB       LEU  29  -1.145 -20.370 -20.370
  199   2HB   LEU  29          2HB       LEU  29  -0.976 -21.558 -21.558
  200    HG   LEU  29           HG       LEU  29   0.291 -18.809 -18.809
  201   1HD1  LEU  29          2HD1      LEU  29   1.523 -20.867 -20.867
  202   2HD1  LEU  29          3HD1      LEU  29   1.376 -21.573 -21.573
  203   3HD1  LEU  29          1HD1      LEU  29   2.344 -20.101 -20.101
  204   1HD2  LEU  29          2HD2      LEU  29  -0.091 -20.259 -20.259
  205   2HD2  LEU  29          3HD2      LEU  29  -0.706 -18.649 -18.649
  206   3HD2  LEU  29          1HD2      LEU  29   1.035 -18.903 -18.903
  207    H    ALA  30           H        ALA  30  -3.416 -18.692 -18.692
  208    HA   ALA  30           HA       ALA  30  -4.752 -20.940 -20.940
  209   1HB   ALA  30          2HB       ALA  30  -3.868 -18.891 -18.891
  210   2HB   ALA  30          3HB       ALA  30  -5.047 -17.859 -17.859
  211   3HB   ALA  30          1HB       ALA  30  -5.601 -19.075 -19.075
  212    H    ASN  31           H        ASN  31  -5.661 -19.297 -19.297
  213    HA   ASN  31           HA       ASN  31  -8.493 -19.087 -19.087
  214   1HB   ASN  31          2HB       ASN  31  -6.794 -18.896 -18.896
  215   2HB   ASN  31          1HB       ASN  31  -7.225 -20.569 -20.569
  216   1HD2  ASN  31          1HD2      ASN  31 -10.518 -18.262 -18.262
  217   2HD2  ASN  31          2HD2      ASN  31  -9.520 -18.096 -18.096
  218    H    GLY  32           H        GLY  32  -6.533 -21.971 -21.971
  219   1HA   GLY  32          1HA       GLY  32  -8.984 -23.734 -23.734
  220   2HA   GLY  32          2HA       GLY  32  -7.302 -24.289 -24.289
  221    H    GLY  33           H        GLY  33  -6.326 -24.540 -24.540
  222   1HA   GLY  33          1HA       GLY  33  -8.170 -25.644 -25.644
  223   2HA   GLY  33          2HA       GLY  33  -6.413 -25.467 -25.467
  224    H    ASN  34           H        ASN  34  -7.977 -25.134 -25.134
  225    HA   ASN  34           HA       ASN  34  -8.984 -22.407 -22.407
  226   1HB   ASN  34          1HB       ASN  34  -8.917 -22.985 -22.985
  227   2HB   ASN  34          2HB       ASN  34  -9.661 -24.263 -24.263
  228   1HD2  ASN  34          1HD2      ASN  34  -6.662 -25.218 -25.218
  229   2HD2  ASN  34          2HD2      ASN  34  -7.713 -23.708 -23.708
  230    H    GLY  35           H        GLY  35  -5.846 -23.892 -23.892
  231   1HA   GLY  35          1HA       GLY  35  -4.756 -21.080 -21.080
  232   2HA   GLY  35          2HA       GLY  35  -4.202 -22.528 -22.528
  233    H    PHE  36           H        PHE  36  -2.762 -23.857 -23.857
  234    HA   PHE  36           HA       PHE  36  -1.498 -22.869 -22.869
  235   1HB   PHE  36          1HB       PHE  36  -0.366 -23.471 -23.471
  236   2HB   PHE  36          2HB       PHE  36   0.252 -24.668 -24.668
  237    HD1  PHE  36           HD1      PHE  36   1.676 -24.002 -24.002
  238    HD2  PHE  36           HD2      PHE  36   0.403 -21.124 -21.124
  239    HE1  PHE  36           HE1      PHE  36   3.475 -22.484 -22.484
  240    HE2  PHE  36           HE2      PHE  36   2.212 -19.609 -19.609
  241    HZ   PHE  36           HZ       PHE  36   3.742 -20.279 -20.279
  242    H    TRP  37           H        TRP  37  -2.333 -25.680 -25.680
  243    HA   TRP  37           HA       TRP  37  -1.386 -27.605 -27.605
  244   1HB   TRP  37          1HB       TRP  37  -3.493 -28.478 -28.478
  245   2HB   TRP  37          2HB       TRP  37  -1.997 -29.271 -29.271
  246    HD1  TRP  37           HD1      TRP  37  -3.323 -28.245 -28.245
  247    HE1  TRP  37           HE1      TRP  37  -1.642 -27.211 -27.211
  248    HE3  TRP  37           HE3      TRP  37   0.356 -27.054 -27.054
  249    HZ2  TRP  37           HZ2      TRP  37   0.944 -26.048 -26.048
  250    HZ3  TRP  37           HZ3      TRP  37   2.447 -26.028 -26.028
  251    HH2  TRP  37           HH2      TRP  37   2.682 -25.406 -25.406
  252    HXT  TRP  37           HXT      TRP  37  -4.230 -28.346 -28.346

  Start of MODEL    6
    1   1H    LYS   1          2H        LYS   1  10.101   1.098   1.098
    2   2H    LYS   1          3H        LYS   1   9.557  -0.430  -0.430
    3   3H    LYS   1          1H        LYS   1  10.138   0.631   0.631
    4    HA   LYS   1           HA       LYS   1  12.306   0.436   0.436
    5   1HB   LYS   1          1HB       LYS   1  10.817  -1.825  -1.825
    6   2HB   LYS   1          2HB       LYS   1  11.554  -2.407  -2.407
    7   1HG   LYS   1          1HG       LYS   1  13.859  -1.566  -1.566
    8   2HG   LYS   1          2HG       LYS   1  13.002  -1.327  -1.327
    9   1HD   LYS   1          1HD       LYS   1  12.641  -4.042  -4.042
   10   2HD   LYS   1          2HD       LYS   1  14.321  -3.643  -3.643
   11   1HE   LYS   1          1HE       LYS   1  13.720  -4.378  -4.378
   12   2HE   LYS   1          2HE       LYS   1  13.104  -2.728  -2.728
   13   1HZ   LYS   1          3HZ       LYS   1  11.388  -4.794  -4.794
   14   2HZ   LYS   1          1HZ       LYS   1  11.542  -4.698  -4.698
   15   3HZ   LYS   1          2HZ       LYS   1  10.950  -3.384  -3.384
   16    H    TYR   2           H        TYR   2  13.715   0.660   0.660
   17    HA   TYR   2           HA       TYR   2  13.796  -0.679  -0.679
   18   1HB   TYR   2          1HB       TYR   2  13.470   1.415   1.415
   19   2HB   TYR   2          2HB       TYR   2  11.995   0.746   0.746
   20    HD1  TYR   2           HD2      TYR   2  10.831   1.839   1.839
   21    HD2  TYR   2           HD1      TYR   2  14.081   3.731   3.731
   22    HE1  TYR   2           HE2      TYR   2  10.163   4.013   4.013
   23    HE2  TYR   2           HE1      TYR   2  13.397   5.910   5.910
   24    HH   TYR   2           HH       TYR   2  10.863   6.781   6.781
   25    H    TYR   3           H        TYR   3  15.669  -0.789  -0.789
   26    HA   TYR   3           HA       TYR   3  17.408   1.699   1.699
   27   1HB   TYR   3          1HB       TYR   3  17.140  -1.003  -1.003
   28   2HB   TYR   3          2HB       TYR   3  18.721  -0.292  -0.292
   29    HD1  TYR   3           HD2      TYR   3  16.908   2.640   2.640
   30    HD2  TYR   3           HD1      TYR   3  17.440  -0.811  -0.811
   31    HE1  TYR   3           HE2      TYR   3  16.018   3.893   3.893
   32    HE2  TYR   3           HE1      TYR   3  16.548   0.460   0.460
   33    HH   TYR   3           HH       TYR   3  14.742   2.738   2.738
   34    H    GLY   4           H        GLY   4  16.970  -0.009  -0.009
   35   1HA   GLY   4          1HA       GLY   4  18.893  -0.285  -0.285
   36   2HA   GLY   4          2HA       GLY   4  19.908  -0.896  -0.896
   37    H    ASN   5           H        ASN   5  17.276  -2.346  -2.346
   38    HA   ASN   5           HA       ASN   5  17.843  -4.952  -4.952
   39   1HB   ASN   5          1HB       ASN   5  16.090  -5.351  -5.351
   40   2HB   ASN   5          2HB       ASN   5  15.668  -3.655  -3.655
   41   1HD2  ASN   5          1HD2      ASN   5  12.637  -4.379  -4.379
   42   2HD2  ASN   5          2HD2      ASN   5  13.691  -3.136  -3.136
   43    H    GLY   6           H        GLY   6  15.291  -2.853  -2.853
   44   1HA   GLY   6          1HA       GLY   6  15.851  -2.885  -2.885
   45   2HA   GLY   6          2HA       GLY   6  15.340  -4.575  -4.575
   46    H    VAL   7           H        VAL   7  14.385  -1.233  -1.233
   47    HA   VAL   7           HA       VAL   7  11.457  -2.016  -2.016
   48    HB   VAL   7           HB       VAL   7  13.041   0.495   0.495
   49   1HG1  VAL   7          1HG1      VAL   7  10.041   0.719   0.719
   50   2HG1  VAL   7          2HG1      VAL   7  11.001   1.970   1.970
   51   3HG1  VAL   7          3HG1      VAL   7  11.395   1.531   1.531
   52   1HG2  VAL   7          2HG2      VAL   7  12.229  -1.034  -1.034
   53   2HG2  VAL   7          3HG2      VAL   7  11.555   0.594   0.594
   54   3HG2  VAL   7          1HG2      VAL   7  10.544  -0.734  -0.734
   55    H    HIS   8           H        HIS   8  14.005  -0.623  -0.623
   56    HA   HIS   8           HA       HIS   8  13.999  -0.217  -0.217
   57   1HB   HIS   8          2HB       HIS   8  12.512  -2.588  -2.588
   58   2HB   HIS   8          1HB       HIS   8  11.244  -1.613  -1.613
   59    HD1  HIS   8           HD1      HIS   8  14.297  -3.692  -3.692
   60    HD2  HIS   8           HD2      HIS   8  11.778  -0.542  -0.542
   61    HE1  HIS   8           HE1      HIS   8  14.581  -3.538  -3.538
   62    HE2  HIS   8           HE2      HIS   8  13.106  -1.640  -1.640
   63    H    CYS   9           H        CYS   9  13.394   1.836   1.836
   64    HA   CYS   9           HA       CYS   9  10.932   3.196   3.196
   65   1HB   CYS   9          1HB       CYS   9  13.866   4.130   4.130
   66   2HB   CYS   9          2HB       CYS   9  12.562   5.292   5.292
   67    H    THR  10           H        THR  10   9.976   4.376   4.376
   68    HA   THR  10           HA       THR  10  11.176   4.299   4.299
   69    HB   THR  10           HB       THR  10   9.364   3.169   3.169
   70    HG1  THR  10           HG1      THR  10   7.428   2.738   2.738
   71   1HG2  THR  10          3HG2      THR  10   9.533   1.674   1.674
   72   2HG2  THR  10          1HG2      THR  10   8.868   1.004   1.004
   73   3HG2  THR  10          2HG2      THR  10  10.588   1.375   1.375
   74    H    LYS  11           H        LYS  11   8.863   5.050   5.050
   75    HA   LYS  11           HA       LYS  11   8.526   7.855   7.855
   76   1HB   LYS  11          1HB       LYS  11   7.284   7.795   7.795
   77   2HB   LYS  11          2HB       LYS  11   8.842   8.507   8.507
   78   1HG   LYS  11          1HG       LYS  11  10.057   6.715   6.715
   79   2HG   LYS  11          2HG       LYS  11   8.887   5.501   5.501
   80   1HD   LYS  11          1HD       LYS  11   8.641   7.460   7.460
   81   2HD   LYS  11          2HD       LYS  11   9.029   5.732   5.732
   82   1HE   LYS  11          1HE       LYS  11   6.827   5.026   5.026
   83   2HE   LYS  11          2HE       LYS  11   6.458   6.534   6.534
   84   1HZ   LYS  11          3HZ       LYS  11   6.879   7.472   7.472
   85   2HZ   LYS  11          1HZ       LYS  11   6.295   5.942   5.942
   86   3HZ   LYS  11          2HZ       LYS  11   5.373   6.981   6.981
   87    H    SER  12           H        SER  12   7.282   5.637   5.637
   88    HA   SER  12           HA       SER  12   4.449   6.727   6.727
   89   1HB   SER  12          1HB       SER  12   5.281   3.817   3.817
   90   2HB   SER  12          2HB       SER  12   3.797   4.114   4.114
   91    HG   SER  12           HG       SER  12   4.218   5.428   5.428
   92    H    GLY  13           H        GLY  13   6.700   4.703   4.703
   93   1HA   GLY  13          2HA       GLY  13   6.698   6.333   6.333
   94   2HA   GLY  13          1HA       GLY  13   5.332   5.224   5.224
   95    H    CYS  14           H        CYS  14   7.641   5.367   5.367
   96    HA   CYS  14           HA       CYS  14   9.129   2.802   2.802
   97   1HB   CYS  14          1HB       CYS  14   9.492   4.763   4.763
   98   2HB   CYS  14          2HB       CYS  14  10.595   3.447   3.447
   99    H    SER  15           H        SER  15   9.362   2.566   2.566
  100    HA   SER  15           HA       SER  15   8.494   0.815   0.815
  101   1HB   SER  15          1HB       SER  15   6.863   3.086   3.086
  102   2HB   SER  15          2HB       SER  15   5.660   1.853   1.853
  103    HG   SER  15           HG       SER  15   6.082   2.215   2.215
  104    H    VAL  16           H        VAL  16   8.908  -0.900  -0.900
  105    HA   VAL  16           HA       VAL  16   6.330  -2.083  -2.083
  106    HB   VAL  16           HB       VAL  16   9.027  -1.870  -1.870
  107   1HG1  VAL  16          2HG2      VAL  16   6.406  -3.221  -3.221
  108   2HG1  VAL  16          3HG2      VAL  16   7.752  -2.835  -2.835
  109   3HG1  VAL  16          1HG2      VAL  16   7.984  -4.003  -4.003
  110   1HG2  VAL  16          1HG1      VAL  16   7.808   0.325   0.325
  111   2HG2  VAL  16          2HG1      VAL  16   7.824  -0.536  -0.536
  112   3HG2  VAL  16          3HG1      VAL  16   6.358  -0.517  -0.517
  113    H    ASN  17           H        ASN  17   6.232  -3.470  -3.470
  114    HA   ASN  17           HA       ASN  17   8.439  -5.530  -5.530
  115   1HB   ASN  17          2HB       ASN  17   6.789  -4.664  -4.664
  116   2HB   ASN  17          1HB       ASN  17   5.594  -5.710  -5.710
  117   1HD2  ASN  17          1HD2      ASN  17   6.790  -8.020  -8.020
  118   2HD2  ASN  17          2HD2      ASN  17   5.440  -6.846  -6.846
  119    H    TRP  18           H        TRP  18   6.156  -4.912  -4.912
  120    HA   TRP  18           HA       TRP  18   4.745  -6.069  -6.069
  121   1HB   TRP  18          2HB       TRP  18   7.090  -8.007  -8.007
  122   2HB   TRP  18          1HB       TRP  18   5.950  -8.358  -8.358
  123    HD1  TRP  18           HD1      TRP  18   9.253  -6.883  -6.883
  124    HE1  TRP  18           HE1      TRP  18  10.038  -5.154  -5.154
  125    HE3  TRP  18           HE3      TRP  18   4.653  -6.141  -6.141
  126    HZ2  TRP  18           HZ2      TRP  18   8.644  -3.748  -3.748
  127    HZ3  TRP  18           HZ3      TRP  18   4.386  -4.342  -4.342
  128    HH2  TRP  18           HH2      TRP  18   6.357  -3.223  -3.223
  129    H    GLY  19           H        GLY  19   4.973  -7.481  -7.481
  130   1HA   GLY  19          2HA       GLY  19   2.596  -9.311  -9.311
  131   2HA   GLY  19          1HA       GLY  19   3.554  -9.454  -9.454
  132    H    GLU  20           H        GLU  20   3.859  -6.811  -6.811
  133    HA   GLU  20           HA       GLU  20   1.164  -6.050  -6.050
  134   1HB   GLU  20          1HB       GLU  20   4.041  -5.204  -5.204
  135   2HB   GLU  20          2HB       GLU  20   2.922  -3.867  -3.867
  136   1HG   GLU  20          1HG       GLU  20   1.680  -5.552  -5.552
  137   2HG   GLU  20          2HG       GLU  20   3.279  -6.242  -6.242
  138    HE1  GLU  20           HE2      GLU  20   4.606  -3.481  -3.481
  139    H    ALA  21           H        ALA  21   2.930  -5.423  -5.423
  140    HA   ALA  21           HA       ALA  21   1.382  -2.926  -2.926
  141   1HB   ALA  21          2HB       ALA  21   3.643  -3.401  -3.401
  142   2HB   ALA  21          3HB       ALA  21   2.996  -4.848  -4.848
  143   3HB   ALA  21          1HB       ALA  21   2.421  -3.229  -3.229
  144    H    PHE  22           H        PHE  22   1.058  -6.362  -6.362
  145    HA   PHE  22           HA       PHE  22  -1.490  -6.037  -6.037
  146   1HB   PHE  22          1HB       PHE  22   0.031  -8.137  -8.137
  147   2HB   PHE  22          2HB       PHE  22  -0.380  -8.469  -8.469
  148    HD1  PHE  22           HD1      PHE  22  -1.846  -8.220  -8.220
  149    HD2  PHE  22           HD2      PHE  22  -2.432  -9.647  -9.647
  150    HE1  PHE  22           HE1      PHE  22  -3.750  -9.580  -9.580
  151    HE2  PHE  22           HE2      PHE  22  -4.352 -10.991 -10.991
  152    HZ   PHE  22           HZ       PHE  22  -5.022 -10.951 -10.951
  153    H    SER  23           H        SER  23  -0.523  -6.400  -6.400
  154    HA   SER  23           HA       SER  23  -3.365  -6.414  -6.414
  155   1HB   SER  23          1HB       SER  23  -0.719  -6.700  -6.700
  156   2HB   SER  23          2HB       SER  23  -1.589  -5.459  -5.459
  157    HG   SER  23           HG       SER  23  -2.917  -6.932  -6.932
  158    H    ALA  24           H        ALA  24  -0.926  -4.062  -4.062
  159    HA   ALA  24           HA       ALA  24  -2.634  -1.794  -1.794
  160   1HB   ALA  24          2HB       ALA  24  -0.107  -1.669  -1.669
  161   2HB   ALA  24          3HB       ALA  24  -0.080  -1.873  -1.873
  162   3HB   ALA  24          1HB       ALA  24  -0.777  -0.403  -0.403
  163    H    GLY  25           H        GLY  25  -2.301  -3.673  -3.673
  164   1HA   GLY  25          1HA       GLY  25  -3.882  -1.651  -1.651
  165   2HA   GLY  25          2HA       GLY  25  -3.383  -3.270  -3.270
  166    H    VAL  26           H        VAL  26  -4.196  -4.871  -4.871
  167    HA   VAL  26           HA       VAL  26  -7.065  -5.194  -5.194
  168    HB   VAL  26           HB       VAL  26  -5.068  -6.120  -6.120
  169   1HG1  VAL  26          1HG1      VAL  26  -8.055  -6.946  -6.946
  170   2HG1  VAL  26          2HG1      VAL  26  -6.742  -7.693  -7.693
  171   3HG1  VAL  26          3HG1      VAL  26  -7.184  -6.022  -6.022
  172   1HG2  VAL  26          2HG2      VAL  26  -5.032  -7.333  -7.333
  173   2HG2  VAL  26          3HG2      VAL  26  -5.459  -8.409  -8.409
  174   3HG2  VAL  26          1HG2      VAL  26  -6.729  -7.817  -7.817
  175    H    HIS  27           H        HIS  27  -5.201  -3.366  -3.366
  176    HA   HIS  27           HA       HIS  27  -7.668  -2.618  -2.618
  177   1HB   HIS  27          1HB       HIS  27  -4.728  -2.551  -2.551
  178   2HB   HIS  27          2HB       HIS  27  -5.235  -0.862  -0.862
  179    HD1  HIS  27           HD1      HIS  27  -4.792  -0.567  -0.567
  180    HD2  HIS  27           HD2      HIS  27  -7.503  -3.638  -3.638
  181    HE1  HIS  27           HE1      HIS  27  -6.030  -1.478  -1.478
  182    HE2  HIS  27           HE2      HIS  27  -7.723  -3.365  -3.365
  183    H    ARG  28           H        ARG  28  -5.671  -1.313  -1.313
  184    HA   ARG  28           HA       ARG  28  -6.790   1.354   1.354
  185   1HB   ARG  28          1HB       ARG  28  -4.940   0.846   0.846
  186   2HB   ARG  28          2HB       ARG  28  -5.707  -0.598  -0.598
  187   1HG   ARG  28          1HG       ARG  28  -5.903   0.969   0.969
  188   2HG   ARG  28          2HG       ARG  28  -7.497   1.060   1.060
  189   1HD   ARG  28          1HD       ARG  28  -6.931   3.164   3.164
  190   2HD   ARG  28          2HD       ARG  28  -5.202   2.989   2.989
  191    HE   ARG  28           HE       ARG  28  -6.931   2.910   2.910
  192   1HH1  ARG  28          2HH1      ARG  28  -5.315   5.082   5.082
  193   2HH1  ARG  28          1HH1      ARG  28  -5.278   6.436   6.436
  194   1HH2  ARG  28          1HH2      ARG  28  -6.858   4.421   4.421
  195   2HH2  ARG  28          2HH2      ARG  28  -6.116   6.083   6.083
  196    H    LEU  29           H        LEU  29  -7.998  -1.687  -1.687
  197    HA   LEU  29           HA       LEU  29 -10.557  -0.325  -0.325
  198   1HB   LEU  29          1HB       LEU  29 -10.223  -3.364  -3.364
  199   2HB   LEU  29          2HB       LEU  29 -11.209  -2.439  -2.439
  200    HG   LEU  29           HG       LEU  29  -8.262  -3.130  -3.130
  201   1HD1  LEU  29          3HD2      LEU  29 -10.083  -4.374  -4.374
  202   2HD1  LEU  29          1HD2      LEU  29 -10.382  -2.887  -2.887
  203   3HD1  LEU  29          2HD2      LEU  29  -8.788  -3.686  -3.686
  204   1HD2  LEU  29          2HD1      LEU  29  -8.330  -0.588  -0.588
  205   2HD2  LEU  29          3HD1      LEU  29  -7.790  -1.296  -1.296
  206   3HD2  LEU  29          1HD1      LEU  29  -9.449  -0.673  -0.673
  207    H    ALA  30           H        ALA  30  -9.321  -2.189  -2.189
  208    HA   ALA  30           HA       ALA  30 -12.105  -2.304  -2.304
  209   1HB   ALA  30          2HB       ALA  30 -10.555  -4.291  -4.291
  210   2HB   ALA  30          3HB       ALA  30  -9.345  -3.300  -3.300
  211   3HB   ALA  30          1HB       ALA  30 -10.913  -3.650  -3.650
  212    H    ASN  31           H        ASN  31 -10.455   0.232   0.232
  213    HA   ASN  31           HA       ASN  31 -10.100   1.308   1.308
  214   1HB   ASN  31          1HB       ASN  31  -8.968   2.585   2.585
  215   2HB   ASN  31          2HB       ASN  31 -10.264   2.460   2.460
  216   1HD2  ASN  31          1HD2      ASN  31 -10.996   5.819   5.819
  217   2HD2  ASN  31          2HD2      ASN  31 -10.678   4.537   4.537
  218    H    GLY  32           H        GLY  32 -12.748   1.183   1.183
  219   1HA   GLY  32          1HA       GLY  32 -14.516   2.683   2.683
  220   2HA   GLY  32          2HA       GLY  32 -14.917   2.394   2.394
  221    H    GLY  33           H        GLY  33 -14.461  -0.210  -0.210
  222   1HA   GLY  33          1HA       GLY  33 -15.223  -2.437  -2.437
  223   2HA   GLY  33          2HA       GLY  33 -15.570  -1.884  -1.884
  224    H    ASN  34           H        ASN  34 -16.691  -1.992  -1.992
  225    HA   ASN  34           HA       ASN  34 -19.515  -1.333  -1.333
  226   1HB   ASN  34          1HB       ASN  34 -18.001  -1.129  -1.129
  227   2HB   ASN  34          2HB       ASN  34 -19.464  -2.042  -2.042
  228   1HD2  ASN  34          1HD2      ASN  34 -19.723   1.952   1.952
  229   2HD2  ASN  34          2HD2      ASN  34 -18.107   1.071   1.071
  230    H    GLY  35           H        GLY  35 -18.085  -3.748  -3.748
  231   1HA   GLY  35          1HA       GLY  35 -19.910  -5.826  -5.826
  232   2HA   GLY  35          2HA       GLY  35 -19.703  -5.795  -5.795
  233    H    PHE  36           H        PHE  36 -17.493  -5.418  -5.418
  234    HA   PHE  36           HA       PHE  36 -15.575  -7.340  -7.340
  235   1HB   PHE  36          1HB       PHE  36 -14.995  -5.009  -5.009
  236   2HB   PHE  36          2HB       PHE  36 -15.106  -5.961  -5.961
  237    HD1  PHE  36           HD2      PHE  36 -13.572  -8.174  -8.174
  238    HD2  PHE  36           HD1      PHE  36 -12.954  -4.909  -4.909
  239    HE1  PHE  36           HE2      PHE  36 -11.224  -8.861  -8.861
  240    HE2  PHE  36           HE1      PHE  36 -10.607  -5.591  -5.591
  241    HZ   PHE  36           HZ       PHE  36  -9.732  -7.562  -7.562
  242    H    TRP  37           H        TRP  37 -17.697  -7.080  -7.080
  243    HA   TRP  37           HA       TRP  37 -16.588  -9.562  -9.562
  244   1HB   TRP  37          2HB       TRP  37 -19.404  -8.790  -8.790
  245   2HB   TRP  37          1HB       TRP  37 -18.023  -9.013  -9.013
  246    HD1  TRP  37           HD1      TRP  37 -20.232  -6.343  -6.343
  247    HE1  TRP  37           HE1      TRP  37 -19.380  -3.881  -3.881
  248    HE3  TRP  37           HE3      TRP  37 -15.597  -7.688  -7.688
  249    HZ2  TRP  37           HZ2      TRP  37 -16.930  -2.864  -2.864
  250    HZ3  TRP  37           HZ3      TRP  37 -14.013  -5.924  -5.924
  251    HH2  TRP  37           HH2      TRP  37 -14.626  -3.540  -3.540
  252    HXT  TRP  37           HXT      TRP  37 -18.731 -11.900 -11.900

  Start of MODEL    7
    1   1H    LYS   1          2H        LYS   1  21.571   4.006   4.006
    2   2H    LYS   1          3H        LYS   1  22.829   3.688   3.688
    3   3H    LYS   1          1H        LYS   1  21.831   5.019   5.019
    4    HA   LYS   1           HA       LYS   1  20.109   3.844   3.844
    5   1HB   LYS   1          1HB       LYS   1  22.135   1.711   1.711
    6   2HB   LYS   1          2HB       LYS   1  21.009   2.593   2.593
    7   1HG   LYS   1          1HG       LYS   1  22.593   4.719   4.719
    8   2HG   LYS   1          2HG       LYS   1  23.762   3.494   3.494
    9   1HD   LYS   1          1HD       LYS   1  24.359   3.762   3.762
   10   2HD   LYS   1          2HD       LYS   1  23.134   2.500   2.500
   11   1HE   LYS   1          1HE       LYS   1  21.347   4.378   4.378
   12   2HE   LYS   1          2HE       LYS   1  22.664   5.562   5.562
   13   1HZ   LYS   1          3HZ       LYS   1  23.625   3.923   3.923
   14   2HZ   LYS   1          1HZ       LYS   1  22.003   3.524   3.524
   15   3HZ   LYS   1          2HZ       LYS   1  22.507   5.116   5.116
   16    H    TYR   2           H        TYR   2  18.858   2.004   2.004
   17    HA   TYR   2           HA       TYR   2  19.416  -0.399  -0.399
   18   1HB   TYR   2          1HB       TYR   2  17.342   0.065   0.065
   19   2HB   TYR   2          2HB       TYR   2  18.893   0.715   0.715
   20    HD1  TYR   2           HD2      TYR   2  15.839   1.805   1.805
   21    HD2  TYR   2           HD1      TYR   2  19.053   2.957   2.957
   22    HE1  TYR   2           HE2      TYR   2  14.868   4.052   4.052
   23    HE2  TYR   2           HE1      TYR   2  18.069   5.213   5.213
   24    HH   TYR   2           HH       TYR   2  16.333   6.610   6.610
   25    H    TYR   3           H        TYR   3  18.860  -0.481  -0.481
   26    HA   TYR   3           HA       TYR   3  15.841  -0.741  -0.741
   27   1HB   TYR   3          1HB       TYR   3  16.358  -1.125  -1.125
   28   2HB   TYR   3          2HB       TYR   3  17.051   0.374   0.374
   29    HD1  TYR   3           HD2      TYR   3  18.406  -3.142  -3.142
   30    HD2  TYR   3           HD1      TYR   3  18.962   0.809   0.809
   31    HE1  TYR   3           HE2      TYR   3  20.601  -3.806  -3.806
   32    HE2  TYR   3           HE1      TYR   3  21.165   0.129   0.129
   33    HH   TYR   3           HH       TYR   3  22.787  -2.544  -2.544
   34    H    GLY   4           H        GLY   4  17.383  -2.530  -2.530
   35   1HA   GLY   4          1HA       GLY   4  16.685  -5.144  -5.144
   36   2HA   GLY   4          2HA       GLY   4  18.330  -4.964  -4.964
   37    H    ASN   5           H        ASN   5  18.556  -4.425  -4.425
   38    HA   ASN   5           HA       ASN   5  16.221  -5.317  -5.317
   39   1HB   ASN   5          1HB       ASN   5  18.461  -7.100  -7.100
   40   2HB   ASN   5          2HB       ASN   5  18.472  -6.917  -6.917
   41   1HD2  ASN   5          1HD2      ASN   5  15.611  -9.012  -9.012
   42   2HD2  ASN   5          2HD2      ASN   5  16.588  -7.682  -7.682
   43    H    GLY   6           H        GLY   6  16.111  -4.402  -4.402
   44   1HA   GLY   6          1HA       GLY   6  17.779  -4.071  -4.071
   45   2HA   GLY   6          2HA       GLY   6  18.569  -2.866  -2.866
   46    H    VAL   7           H        VAL   7  15.589  -2.574  -2.574
   47    HA   VAL   7           HA       VAL   7  14.303  -1.046  -1.046
   48    HB   VAL   7           HB       VAL   7  15.890   0.585   0.585
   49   1HG1  VAL   7          3HG1      VAL   7  13.702   1.760   1.760
   50   2HG1  VAL   7          1HG1      VAL   7  13.907   1.774   1.774
   51   3HG1  VAL   7          2HG1      VAL   7  14.998   2.706   2.706
   52   1HG2  VAL   7          2HG2      VAL   7  17.295  -0.007  -0.007
   53   2HG2  VAL   7          3HG2      VAL   7  17.039   1.735   1.735
   54   3HG2  VAL   7          1HG2      VAL   7  16.115   0.805   0.805
   55    H    HIS   8           H        HIS   8  14.899  -0.723  -0.723
   56    HA   HIS   8           HA       HIS   8  13.365  -0.563  -0.563
   57   1HB   HIS   8          2HB       HIS   8  12.621  -2.849  -2.849
   58   2HB   HIS   8          1HB       HIS   8  11.163  -1.912  -1.912
   59    HD1  HIS   8           HD1      HIS   8  12.806  -3.966  -3.966
   60    HD2  HIS   8           HD2      HIS   8   9.720  -1.048  -1.048
   61    HE1  HIS   8           HE1      HIS   8  11.246  -3.934  -3.934
   62    HE2  HIS   8           HE2      HIS   8   9.302  -2.201  -2.201
   63    H    CYS   9           H        CYS   9  13.406   1.604   1.604
   64    HA   CYS   9           HA       CYS   9  10.643   2.647   2.647
   65   1HB   CYS   9          1HB       CYS   9  13.454   3.872   3.872
   66   2HB   CYS   9          2HB       CYS   9  12.054   4.947   4.947
   67    H    THR  10           H        THR  10   9.607   2.298   2.298
   68    HA   THR  10           HA       THR  10  10.702   2.701   2.701
   69    HB   THR  10           HB       THR  10   7.832   2.683   2.683
   70    HG1  THR  10           HG1      THR  10   7.787   0.776   0.776
   71   1HG2  THR  10          3HG2      THR  10   8.532   2.878   2.878
   72   2HG2  THR  10          1HG2      THR  10   6.922   2.515   2.515
   73   3HG2  THR  10          2HG2      THR  10   7.636   4.105   4.105
   74    H    LYS  11           H        LYS  11   8.141   4.750   4.750
   75    HA   LYS  11           HA       LYS  11   9.490   7.267   7.267
   76   1HB   LYS  11          1HB       LYS  11   9.642   7.378   7.378
   77   2HB   LYS  11          2HB       LYS  11   8.728   5.888   5.888
   78   1HG   LYS  11          1HG       LYS  11   6.853   7.052   7.052
   79   2HG   LYS  11          2HG       LYS  11   6.859   8.036   8.036
   80   1HD   LYS  11          1HD       LYS  11   7.390   9.814   9.814
   81   2HD   LYS  11          2HD       LYS  11   8.972   9.078   9.078
   82   1HE   LYS  11          1HE       LYS  11   7.720   7.566   7.566
   83   2HE   LYS  11          2HE       LYS  11   6.372   8.705   8.705
   84   1HZ   LYS  11          1HZ       LYS  11   8.922  10.022  10.022
   85   2HZ   LYS  11          2HZ       LYS  11   8.542   9.048   9.048
   86   3HZ   LYS  11          3HZ       LYS  11   7.486  10.267  10.267
   87    H    SER  12           H        SER  12   6.566   5.502   5.502
   88    HA   SER  12           HA       SER  12   4.840   7.896   7.896
   89   1HB   SER  12          1HB       SER  12   4.120   5.774   5.774
   90   2HB   SER  12          2HB       SER  12   3.951   4.940   4.940
   91    HG   SER  12           HG       SER  12   2.256   6.616   6.616
   92    H    GLY  13           H        GLY  13   6.287   5.243   5.243
   93   1HA   GLY  13          2HA       GLY  13   6.626   6.714   6.714
   94   2HA   GLY  13          1HA       GLY  13   5.018   5.979   5.979
   95    H    CYS  14           H        CYS  14   7.606   5.585   5.585
   96    HA   CYS  14           HA       CYS  14   8.724   3.002   3.002
   97   1HB   CYS  14          1HB       CYS  14   8.877   4.515   4.515
   98   2HB   CYS  14          2HB       CYS  14   9.820   3.058   3.058
   99    H    SER  15           H        SER  15   7.419   3.414   3.414
  100    HA   SER  15           HA       SER  15   6.045   1.932   1.932
  101   1HB   SER  15          1HB       SER  15   4.562   1.962   1.962
  102   2HB   SER  15          2HB       SER  15   3.882   1.176   1.176
  103    HG   SER  15           HG       SER  15   3.157   3.103   3.103
  104    H    VAL  16           H        VAL  16   8.339   0.828   0.828
  105    HA   VAL  16           HA       VAL  16   7.854  -1.692  -1.692
  106    HB   VAL  16           HB       VAL  16  10.128  -1.120  -1.120
  107   1HG1  VAL  16          1HG1      VAL  16  10.118  -0.466  -0.466
  108   2HG1  VAL  16          2HG1      VAL  16  11.534  -0.381  -0.381
  109   3HG1  VAL  16          3HG1      VAL  16  10.189   0.717   0.717
  110   1HG2  VAL  16          2HG2      VAL  16  10.028  -3.539  -3.539
  111   2HG2  VAL  16          3HG2      VAL  16  11.483  -2.722  -2.722
  112   3HG2  VAL  16          1HG2      VAL  16  10.127  -3.020  -3.020
  113    H    ASN  17           H        ASN  17   6.887  -3.407  -3.407
  114    HA   ASN  17           HA       ASN  17   6.060  -3.968  -3.968
  115   1HB   ASN  17          1HB       ASN  17   4.788  -4.460  -4.460
  116   2HB   ASN  17          2HB       ASN  17   5.719  -5.940  -5.940
  117   1HD2  ASN  17          1HD2      ASN  17   2.372  -6.401  -6.401
  118   2HD2  ASN  17          2HD2      ASN  17   2.881  -5.678  -5.678
  119    H    TRP  18           H        TRP  18   6.721  -5.396  -5.396
  120    HA   TRP  18           HA       TRP  18   9.504  -6.457  -6.457
  121   1HB   TRP  18          2HB       TRP  18   7.775  -6.289  -6.289
  122   2HB   TRP  18          1HB       TRP  18   9.361  -7.025  -7.025
  123    HD1  TRP  18           HD1      TRP  18   7.942  -3.966  -3.966
  124    HE1  TRP  18           HE1      TRP  18   9.467  -1.796  -1.796
  125    HE3  TRP  18           HE3      TRP  18  11.332  -5.902  -5.902
  126    HZ2  TRP  18           HZ2      TRP  18  11.847  -1.210  -1.210
  127    HZ3  TRP  18           HZ3      TRP  18  13.249  -4.508  -4.508
  128    HH2  TRP  18           HH2      TRP  18  13.505  -2.196  -2.196
  129    H    GLY  19           H        GLY  19   6.249  -7.586  -7.586
  130   1HA   GLY  19          2HA       GLY  19   7.084 -10.469 -10.469
  131   2HA   GLY  19          1HA       GLY  19   5.424  -9.867  -9.867
  132    H    GLU  20           H        GLU  20   5.973  -8.179  -8.179
  133    HA   GLU  20           HA       GLU  20   5.882 -10.231 -10.231
  134   1HB   GLU  20          1HB       GLU  20   5.342  -7.345  -7.345
  135   2HB   GLU  20          2HB       GLU  20   6.301  -7.566  -7.566
  136   1HG   GLU  20          1HG       GLU  20   4.000  -9.491  -9.491
  137   2HG   GLU  20          2HG       GLU  20   3.452  -7.840  -7.840
  138    HE2  GLU  20           HE2      GLU  20   3.737  -7.198  -7.198
  139    H    ALA  21           H        ALA  21   8.295  -8.136  -8.136
  140    HA   ALA  21           HA       ALA  21  10.243  -8.663  -8.663
  141   1HB   ALA  21          2HB       ALA  21  10.325  -6.568  -6.568
  142   2HB   ALA  21          3HB       ALA  21  10.626  -7.537  -7.537
  143   3HB   ALA  21          1HB       ALA  21  11.845  -7.468  -7.468
  144    H    PHE  22           H        PHE  22   9.367 -10.144 -10.144
  145    HA   PHE  22           HA       PHE  22  11.677 -12.074 -12.074
  146   1HB   PHE  22          1HB       PHE  22   9.891 -11.338 -11.338
  147   2HB   PHE  22          2HB       PHE  22   9.068 -12.760 -12.760
  148    HD1  PHE  22           HD2      PHE  22  12.640 -11.814 -11.814
  149    HD2  PHE  22           HD1      PHE  22   9.488 -14.728 -14.728
  150    HE1  PHE  22           HE2      PHE  22  14.047 -13.251 -13.251
  151    HE2  PHE  22           HE1      PHE  22  10.907 -16.168 -16.168
  152    HZ   PHE  22           HZ       PHE  22  13.187 -15.433 -15.433
  153    H    SER  23           H        SER  23   8.377 -11.859 -11.859
  154    HA   SER  23           HA       SER  23   8.488 -14.618 -14.618
  155   1HB   SER  23          1HB       SER  23   6.369 -13.033 -13.033
  156   2HB   SER  23          2HB       SER  23   6.550 -12.492 -12.492
  157    HG   SER  23           HG       SER  23   5.176 -14.436 -14.436
  158    H    ALA  24           H        ALA  24   9.322 -11.375 -11.375
  159    HA   ALA  24           HA       ALA  24   9.968 -12.269 -12.269
  160   1HB   ALA  24          2HB       ALA  24   9.214  -9.911  -9.911
  161   2HB   ALA  24          3HB       ALA  24  10.627  -9.662  -9.662
  162   3HB   ALA  24          1HB       ALA  24  10.843  -9.883  -9.883
  163    H    GLY  25           H        GLY  25  11.547 -12.174 -12.174
  164   1HA   GLY  25          1HA       GLY  25  14.298 -12.560 -12.560
  165   2HA   GLY  25          2HA       GLY  25  13.904 -12.631 -12.631
  166    H    VAL  26           H        VAL  26  11.889 -14.322 -14.322
  167    HA   VAL  26           HA       VAL  26  12.987 -16.992 -16.992
  168    HB   VAL  26           HB       VAL  26  10.118 -15.904 -15.904
  169   1HG1  VAL  26          1HG1      VAL  26  10.713 -18.946 -18.946
  170   2HG1  VAL  26          2HG1      VAL  26   9.167 -18.206 -18.206
  171   3HG1  VAL  26          3HG1      VAL  26   9.730 -18.026 -18.026
  172   1HG2  VAL  26          2HG2      VAL  26  11.516 -15.937 -15.937
  173   2HG2  VAL  26          3HG2      VAL  26  10.089 -16.970 -16.970
  174   3HG2  VAL  26          1HG2      VAL  26  11.692 -17.702 -17.702
  175    H    HIS  27           H        HIS  27  11.116 -14.990 -14.990
  176    HA   HIS  27           HA       HIS  27  10.966 -17.054 -17.054
  177   1HB   HIS  27          1HB       HIS  27   9.937 -14.379 -14.379
  178   2HB   HIS  27          2HB       HIS  27  11.050 -14.111 -14.111
  179    HD1  HIS  27           HD1      HIS  27  10.428 -15.480 -15.480
  180    HD2  HIS  27           HD2      HIS  27   7.726 -15.544 -15.544
  181    HE1  HIS  27           HE1      HIS  27   8.163 -16.241 -16.241
  182    HE2  HIS  27           HE2      HIS  27   6.413 -16.326 -16.326
  183    H    ARG  28           H        ARG  28  13.216 -14.521 -14.521
  184    HA   ARG  28           HA       ARG  28  14.890 -14.639 -14.639
  185   1HB   ARG  28          1HB       ARG  28  14.983 -13.416 -13.416
  186   2HB   ARG  28          2HB       ARG  28  16.390 -14.463 -14.463
  187   1HG   ARG  28          1HG       ARG  28  15.876 -12.509 -12.509
  188   2HG   ARG  28          2HG       ARG  28  16.643 -11.965 -11.965
  189   1HD   ARG  28          1HD       ARG  28  18.204 -14.188 -14.188
  190   2HD   ARG  28          2HD       ARG  28  17.692 -13.827 -13.827
  191    HE   ARG  28           HE       ARG  28  18.627 -11.483 -11.483
  192   1HH1  ARG  28          2HH1      ARG  28  19.467 -13.817 -13.817
  193   2HH1  ARG  28          1HH1      ARG  28  20.906 -12.815 -12.815
  194   1HH2  ARG  28          1HH2      ARG  28  20.200 -10.457 -10.457
  195   2HH2  ARG  28          2HH2      ARG  28  21.308 -10.987 -10.987
  196    H    LEU  29           H        LEU  29  15.359 -16.349 -16.349
  197    HA   LEU  29           HA       LEU  29  17.254 -18.291 -18.291
  198   1HB   LEU  29          1HB       LEU  29  16.090 -19.780 -19.780
  199   2HB   LEU  29          2HB       LEU  29  17.260 -18.518 -18.518
  200    HG   LEU  29           HG       LEU  29  14.436 -17.516 -17.516
  201   1HD1  LEU  29          2HD1      LEU  29  14.033 -19.828 -19.828
  202   2HD1  LEU  29          3HD1      LEU  29  15.280 -19.588 -19.588
  203   3HD1  LEU  29          1HD1      LEU  29  13.793 -18.609 -18.609
  204   1HD2  LEU  29          2HD2      LEU  29  16.736 -17.327 -17.327
  205   2HD2  LEU  29          3HD2      LEU  29  16.266 -16.087 -16.087
  206   3HD2  LEU  29          1HD2      LEU  29  15.167 -16.486 -16.486
  207    H    ALA  30           H        ALA  30  13.777 -18.169 -18.169
  208    HA   ALA  30           HA       ALA  30  13.389 -21.011 -21.011
  209   1HB   ALA  30          2HB       ALA  30  11.579 -19.539 -19.539
  210   2HB   ALA  30          3HB       ALA  30  11.579 -18.526 -18.526
  211   3HB   ALA  30          1HB       ALA  30  11.034 -20.219 -20.219
  212    H    ASN  31           H        ASN  31  14.475 -18.318 -18.318
  213    HA   ASN  31           HA       ASN  31  13.460 -18.974 -18.974
  214   1HB   ASN  31          2HB       ASN  31  15.153 -17.037 -17.037
  215   2HB   ASN  31          1HB       ASN  31  16.409 -18.165 -18.165
  216   1HD2  ASN  31          1HD2      ASN  31  14.838 -15.951 -15.951
  217   2HD2  ASN  31          2HD2      ASN  31  14.363 -15.722 -15.722
  218    H    GLY  32           H        GLY  32  16.042 -20.480 -20.480
  219   1HA   GLY  32          1HA       GLY  32  17.208 -22.062 -22.062
  220   2HA   GLY  32          2HA       GLY  32  17.254 -22.508 -22.508
  221    H    GLY  33           H        GLY  33  15.372 -23.491 -23.491
  222   1HA   GLY  33          1HA       GLY  33  14.370 -25.697 -25.697
  223   2HA   GLY  33          2HA       GLY  33  13.894 -25.403 -25.403
  224    H    ASN  34           H        ASN  34  11.811 -25.949 -25.949
  225    HA   ASN  34           HA       ASN  34  10.320 -24.115 -24.115
  226   1HB   ASN  34          1HB       ASN  34   9.906 -26.732 -26.732
  227   2HB   ASN  34          2HB       ASN  34   8.965 -26.073 -26.073
  228   1HD2  ASN  34          1HD2      ASN  34   6.195 -25.768 -25.768
  229   2HD2  ASN  34          2HD2      ASN  34   6.868 -26.168 -26.168
  230    H    GLY  35           H        GLY  35   9.484 -25.097 -25.097
  231   1HA   GLY  35          1HA       GLY  35   8.822 -22.127 -22.127
  232   2HA   GLY  35          2HA       GLY  35   7.713 -23.435 -23.435
  233    H    PHE  36           H        PHE  36   8.091 -24.686 -24.686
  234    HA   PHE  36           HA       PHE  36  10.541 -23.955 -23.955
  235   1HB   PHE  36          1HB       PHE  36   7.977 -22.876 -22.876
  236   2HB   PHE  36          2HB       PHE  36   7.926 -24.325 -24.325
  237    HD1  PHE  36           HD2      PHE  36   9.485 -24.613 -24.613
  238    HD2  PHE  36           HD1      PHE  36   9.501 -21.016 -21.016
  239    HE1  PHE  36           HE2      PHE  36  10.618 -23.413 -23.413
  240    HE2  PHE  36           HE1      PHE  36  10.628 -19.824 -19.824
  241    HZ   PHE  36           HZ       PHE  36  11.181 -21.014 -21.014
  242    H    TRP  37           H        TRP  37   7.535 -25.848 -25.848
  243    HA   TRP  37           HA       TRP  37   8.915 -28.105 -28.105
  244   1HB   TRP  37          2HB       TRP  37   6.286 -28.537 -28.537
  245   2HB   TRP  37          1HB       TRP  37   6.736 -29.095 -29.095
  246    HD1  TRP  37           HD1      TRP  37   6.562 -27.236 -27.236
  247    HE1  TRP  37           HE1      TRP  37   4.994 -25.123 -25.123
  248    HE3  TRP  37           HE3      TRP  37   5.134 -26.712 -26.712
  249    HZ2  TRP  37           HZ2      TRP  37   3.409 -23.552 -23.552
  250    HZ3  TRP  37           HZ3      TRP  37   3.658 -24.824 -24.824
  251    HH2  TRP  37           HH2      TRP  37   2.732 -23.323 -23.323
  252    HXT  TRP  37           HXT      TRP  37   9.630 -30.208 -30.208

  Start of MODEL    8
    1   1H    LYS   1          2H        LYS   1  21.439   3.676   3.676
    2   2H    LYS   1          3H        LYS   1  20.747   4.236   4.236
    3   3H    LYS   1          1H        LYS   1  21.963   3.076   3.076
    4    HA   LYS   1           HA       LYS   1  20.656   1.410   1.410
    5   1HB   LYS   1          1HB       LYS   1  19.904   2.931   2.931
    6   2HB   LYS   1          2HB       LYS   1  18.382   2.603   2.603
    7   1HG   LYS   1          1HG       LYS   1  20.161   0.743   0.743
    8   2HG   LYS   1          2HG       LYS   1  18.436   0.619   0.619
    9   1HD   LYS   1          1HD       LYS   1  19.146  -1.231  -1.231
   10   2HD   LYS   1          2HD       LYS   1  19.483  -0.057  -0.057
   11   1HE   LYS   1          1HE       LYS   1  21.841   0.100   0.100
   12   2HE   LYS   1          2HE       LYS   1  21.620  -0.579  -0.579
   13   1HZ   LYS   1          3HZ       LYS   1  20.664  -2.579  -2.579
   14   2HZ   LYS   1          1HZ       LYS   1  21.778  -1.949  -1.949
   15   3HZ   LYS   1          2HZ       LYS   1  22.282  -2.438  -2.438
   16    H    TYR   2           H        TYR   2  18.258   0.856   0.856
   17    HA   TYR   2           HA       TYR   2  16.501   0.990   0.990
   18   1HB   TYR   2          1HB       TYR   2  16.609   3.862   3.862
   19   2HB   TYR   2          2HB       TYR   2  15.299   2.976   2.976
   20    HD1  TYR   2           HD2      TYR   2  15.884   2.275   2.275
   21    HD2  TYR   2           HD1      TYR   2  17.282   5.750   5.750
   22    HE1  TYR   2           HE2      TYR   2  16.197   3.448   3.448
   23    HE2  TYR   2           HE1      TYR   2  17.588   6.920   6.920
   24    HH   TYR   2           HH       TYR   2  16.295   5.807   5.807
   25    H    TYR   3           H        TYR   3  18.690   0.046   0.046
   26    HA   TYR   3           HA       TYR   3  19.771   1.786   1.786
   27   1HB   TYR   3          1HB       TYR   3  20.490  -0.754  -0.754
   28   2HB   TYR   3          2HB       TYR   3  21.042  -0.741  -0.741
   29    HD1  TYR   3           HD2      TYR   3  20.995   2.665   2.665
   30    HD2  TYR   3           HD1      TYR   3  23.267  -0.957  -0.957
   31    HE1  TYR   3           HE2      TYR   3  22.876   3.956   3.956
   32    HE2  TYR   3           HE1      TYR   3  25.150   0.352   0.352
   33    HH   TYR   3           HH       TYR   3  24.821   3.475   3.475
   34    H    GLY   4           H        GLY   4  17.022   0.416   0.416
   35   1HA   GLY   4          2HA       GLY   4  15.713  -0.792  -0.792
   36   2HA   GLY   4          1HA       GLY   4  16.861  -0.148  -0.148
   37    H    ASN   5           H        ASN   5  16.169  -2.776  -2.776
   38    HA   ASN   5           HA       ASN   5  18.150  -4.555  -4.555
   39   1HB   ASN   5          1HB       ASN   5  17.456  -4.581  -4.581
   40   2HB   ASN   5          2HB       ASN   5  16.080  -5.519  -5.519
   41   1HD2  ASN   5          1HD2      ASN   5  18.967  -7.749  -7.749
   42   2HD2  ASN   5          2HD2      ASN   5  18.291  -6.233  -6.233
   43    H    GLY   6           H        GLY   6  14.696  -4.095  -4.095
   44   1HA   GLY   6          1HA       GLY   6  14.320  -5.346  -5.346
   45   2HA   GLY   6          2HA       GLY   6  13.394  -6.066  -6.066
   46    H    VAL   7           H        VAL   7  14.325  -2.691  -2.691
   47    HA   VAL   7           HA       VAL   7  11.338  -2.015  -2.015
   48    HB   VAL   7           HB       VAL   7  13.817  -0.273  -0.273
   49   1HG1  VAL   7          1HG1      VAL   7  10.865   0.362   0.362
   50   2HG1  VAL   7          2HG1      VAL   7  12.288   1.290   1.290
   51   3HG1  VAL   7          3HG1      VAL   7  11.878   1.245   1.245
   52   1HG2  VAL   7          2HG2      VAL   7  13.585  -2.147  -2.147
   53   2HG2  VAL   7          3HG2      VAL   7  13.330  -0.556  -0.556
   54   3HG2  VAL   7          1HG2      VAL   7  11.932  -1.605  -1.605
   55    H    HIS   8           H        HIS   8  14.245  -0.390  -0.390
   56    HA   HIS   8           HA       HIS   8  14.612   0.690   0.690
   57   1HB   HIS   8          2HB       HIS   8  13.637  -1.935  -1.935
   58   2HB   HIS   8          1HB       HIS   8  12.418  -1.011  -1.011
   59    HD1  HIS   8           HD1      HIS   8  16.285  -1.696  -1.696
   60    HD2  HIS   8           HD2      HIS   8  13.011   0.123   0.123
   61    HE1  HIS   8           HE1      HIS   8  17.051  -1.084  -1.084
   62    HE2  HIS   8           HE2      HIS   8  15.143   0.031   0.031
   63    H    CYS   9           H        CYS   9  13.721   2.518   2.518
   64    HA   CYS   9           HA       CYS   9  10.968   3.366   3.366
   65   1HB   CYS   9          1HB       CYS   9  13.318   4.468   4.468
   66   2HB   CYS   9          2HB       CYS   9  12.876   5.629   5.629
   67    H    THR  10           H        THR  10  10.031   3.687   3.687
   68    HA   THR  10           HA       THR  10  11.803   4.480   4.480
   69    HB   THR  10           HB       THR  10   9.829   2.901   2.901
   70    HG1  THR  10           HG1      THR  10   9.769   1.010   1.010
   71   1HG2  THR  10          3HG2      THR  10  12.535   1.779   1.779
   72   2HG2  THR  10          1HG2      THR  10  11.509   1.026   1.026
   73   3HG2  THR  10          2HG2      THR  10  12.285   2.574   2.574
   74    H    LYS  11           H        LYS  11   8.374   3.658   3.658
   75    HA   LYS  11           HA       LYS  11   7.876   6.355   6.355
   76   1HB   LYS  11          1HB       LYS  11   5.536   4.994   4.994
   77   2HB   LYS  11          2HB       LYS  11   6.899   4.882   4.882
   78   1HG   LYS  11          1HG       LYS  11   7.580   2.870   2.870
   79   2HG   LYS  11          2HG       LYS  11   5.823   2.830   2.830
   80   1HD   LYS  11          1HD       LYS  11   5.771   2.540   2.540
   81   2HD   LYS  11          2HD       LYS  11   7.544   2.481   2.481
   82   1HE   LYS  11          1HE       LYS  11   7.179   0.621   0.621
   83   2HE   LYS  11          2HE       LYS  11   5.568   0.456   0.456
   84   1HZ   LYS  11          3HZ       LYS  11   7.900   0.504   0.504
   85   2HZ   LYS  11          1HZ       LYS  11   7.559  -0.896  -0.896
   86   3HZ   LYS  11          2HZ       LYS  11   6.413  -0.260  -0.260
   87    H    SER  12           H        SER  12   5.321   4.647   4.647
   88    HA   SER  12           HA       SER  12   4.159   6.955   6.955
   89   1HB   SER  12          1HB       SER  12   3.865   4.008   4.008
   90   2HB   SER  12          2HB       SER  12   2.836   5.279   5.279
   91    HG   SER  12           HG       SER  12   1.825   4.346   4.346
   92    H    GLY  13           H        GLY  13   6.662   4.920   4.920
   93   1HA   GLY  13          1HA       GLY  13   7.926   6.860   6.860
   94   2HA   GLY  13          2HA       GLY  13   6.580   6.412   6.412
   95    H    CYS  14           H        CYS  14   7.749   5.496   5.496
   96    HA   CYS  14           HA       CYS  14   9.401   3.056   3.056
   97   1HB   CYS  14          1HB       CYS  14   9.179   4.877   4.877
   98   2HB   CYS  14          2HB       CYS  14   9.565   3.187   3.187
   99    H    SER  15           H        SER  15   7.464   3.391   3.391
  100    HA   SER  15           HA       SER  15   6.045   1.748   1.748
  101   1HB   SER  15          1HB       SER  15   4.811   1.720   1.720
  102   2HB   SER  15          2HB       SER  15   3.983   1.236   1.236
  103    HG   SER  15           HG       SER  15   4.754   3.597   3.597
  104    H    VAL  16           H        VAL  16   8.223   0.593   0.593
  105    HA   VAL  16           HA       VAL  16   8.570  -1.549  -1.549
  106    HB   VAL  16           HB       VAL  16  10.494  -1.239  -1.239
  107   1HG1  VAL  16          1HG1      VAL  16   8.923  -1.080  -1.080
  108   2HG1  VAL  16          2HG1      VAL  16  10.691  -0.945  -0.945
  109   3HG1  VAL  16          3HG1      VAL  16   9.655   0.289   0.289
  110   1HG2  VAL  16          2HG2      VAL  16  10.045  -3.730  -3.730
  111   2HG2  VAL  16          3HG2      VAL  16  10.988  -3.143  -3.143
  112   3HG2  VAL  16          1HG2      VAL  16   9.254  -3.499  -3.499
  113    H    ASN  17           H        ASN  17   7.105  -2.848  -2.848
  114    HA   ASN  17           HA       ASN  17   5.046  -4.061  -4.061
  115   1HB   ASN  17          1HB       ASN  17   6.057  -5.988  -5.988
  116   2HB   ASN  17          2HB       ASN  17   4.569  -5.025  -5.025
  117   1HD2  ASN  17          1HD2      ASN  17   7.250  -4.371  -4.371
  118   2HD2  ASN  17          2HD2      ASN  17   7.202  -5.871  -5.871
  119    H    TRP  18           H        TRP  18   5.359  -4.846  -4.846
  120    HA   TRP  18           HA       TRP  18   7.885  -6.156  -6.156
  121   1HB   TRP  18          2HB       TRP  18   5.049  -6.000  -6.000
  122   2HB   TRP  18          1HB       TRP  18   6.311  -6.925  -6.925
  123    HD1  TRP  18           HD1      TRP  18   4.759  -3.793  -3.793
  124    HE1  TRP  18           HE1      TRP  18   6.286  -1.812  -1.812
  125    HE3  TRP  18           HE3      TRP  18   9.226  -5.944  -5.944
  126    HZ2  TRP  18           HZ2      TRP  18   9.102  -1.426  -1.426
  127    HZ3  TRP  18           HZ3      TRP  18  11.321  -4.759  -4.759
  128    HH2  TRP  18           HH2      TRP  18  11.260  -2.473  -2.473
  129    H    GLY  19           H        GLY  19   4.884  -7.314  -7.314
  130   1HA   GLY  19          2HA       GLY  19   5.264 -10.168 -10.168
  131   2HA   GLY  19          1HA       GLY  19   4.411  -9.514  -9.514
  132    H    GLU  20           H        GLU  20   6.334  -8.104  -8.104
  133    HA   GLU  20           HA       GLU  20   7.663 -10.283 -10.283
  134   1HB   GLU  20          1HB       GLU  20   7.791  -7.223  -7.223
  135   2HB   GLU  20          2HB       GLU  20   9.024  -8.090  -8.090
  136   1HG   GLU  20          1HG       GLU  20   5.973  -8.184  -8.184
  137   2HG   GLU  20          2HG       GLU  20   7.167  -7.391  -7.391
  138    HE1  GLU  20           HE2      GLU  20   6.541 -11.308 -11.308
  139    H    ALA  21           H        ALA  21   8.661  -8.133  -8.133
  140    HA   ALA  21           HA       ALA  21  11.547  -8.870  -8.870
  141   1HB   ALA  21          2HB       ALA  21  10.770  -6.686  -6.686
  142   2HB   ALA  21          3HB       ALA  21   9.934  -7.562  -7.562
  143   3HB   ALA  21          1HB       ALA  21  11.710  -7.605  -7.605
  144    H    PHE  22           H        PHE  22   8.737 -10.193 -10.193
  145    HA   PHE  22           HA       PHE  22  10.363 -12.123 -12.123
  146   1HB   PHE  22          1HB       PHE  22   8.149 -11.896 -11.896
  147   2HB   PHE  22          2HB       PHE  22   7.424 -11.704 -11.704
  148    HD1  PHE  22           HD2      PHE  22   9.254 -14.464 -14.464
  149    HD2  PHE  22           HD1      PHE  22   5.977 -13.380 -13.380
  150    HE1  PHE  22           HE2      PHE  22   8.413 -16.779 -16.779
  151    HE2  PHE  22           HE1      PHE  22   5.167 -15.702 -15.702
  152    HZ   PHE  22           HZ       PHE  22   6.370 -17.404 -17.404
  153    H    SER  23           H        SER  23   8.975 -11.980 -11.980
  154    HA   SER  23           HA       SER  23   9.824 -14.780 -14.780
  155   1HB   SER  23          1HB       SER  23   8.136 -14.193 -14.193
  156   2HB   SER  23          2HB       SER  23   8.570 -12.493 -12.493
  157    HG   SER  23           HG       SER  23   9.625 -12.918 -12.918
  158    H    ALA  24           H        ALA  24  11.206 -11.581 -11.581
  159    HA   ALA  24           HA       ALA  24  13.679 -12.625 -12.625
  160   1HB   ALA  24          2HB       ALA  24  12.865 -10.254 -10.254
  161   2HB   ALA  24          3HB       ALA  24  13.044  -9.913  -9.913
  162   3HB   ALA  24          1HB       ALA  24  14.480 -10.235 -10.235
  163    H    GLY  25           H        GLY  25  12.465 -12.342 -12.342
  164   1HA   GLY  25          1HA       GLY  25  15.227 -12.747 -12.747
  165   2HA   GLY  25          2HA       GLY  25  13.685 -12.731 -12.731
  166    H    VAL  26           H        VAL  26  12.170 -14.443 -14.443
  167    HA   VAL  26           HA       VAL  26  13.047 -17.105 -17.105
  168    HB   VAL  26           HB       VAL  26  11.022 -16.059 -16.059
  169   1HG1  VAL  26          1HG1      VAL  26  11.419 -19.095 -19.095
  170   2HG1  VAL  26          2HG1      VAL  26  10.053 -18.353 -18.353
  171   3HG1  VAL  26          3HG1      VAL  26  11.670 -18.238 -18.238
  172   1HG2  VAL  26          2HG2      VAL  26  10.350 -15.983 -15.983
  173   2HG2  VAL  26          3HG2      VAL  26   9.286 -17.027 -17.027
  174   3HG2  VAL  26          1HG2      VAL  26  10.527 -17.750 -17.750
  175    H    HIS  27           H        HIS  27  13.484 -15.295 -15.295
  176    HA   HIS  27           HA       HIS  27  14.899 -17.511 -17.511
  177   1HB   HIS  27          1HB       HIS  27  13.835 -14.971 -14.971
  178   2HB   HIS  27          2HB       HIS  27  15.535 -14.533 -14.533
  179    HD1  HIS  27           HD1      HIS  27  16.826 -14.717 -14.717
  180    HD2  HIS  27           HD2      HIS  27  13.559 -17.445 -17.445
  181    HE1  HIS  27           HE1      HIS  27  16.529 -16.136 -16.136
  182    HE2  HIS  27           HE2      HIS  27  14.563 -17.851 -17.851
  183    H    ARG  28           H        ARG  28  15.834 -14.795 -14.795
  184    HA   ARG  28           HA       ARG  28  18.701 -15.075 -15.075
  185   1HB   ARG  28          1HB       ARG  28  16.734 -14.105 -14.105
  186   2HB   ARG  28          2HB       ARG  28  18.331 -14.503 -14.503
  187   1HG   ARG  28          1HG       ARG  28  19.198 -12.908 -12.908
  188   2HG   ARG  28          2HG       ARG  28  17.533 -12.338 -12.338
  189   1HD   ARG  28          1HD       ARG  28  19.038 -10.923 -10.923
  190   2HD   ARG  28          2HD       ARG  28  17.687 -11.622 -11.622
  191    HE   ARG  28           HE       ARG  28  19.766 -13.558 -13.558
  192   1HH1  ARG  28          2HH1      ARG  28  19.437 -10.239 -10.239
  193   2HH1  ARG  28          1HH1      ARG  28  20.643 -10.437 -10.437
  194   1HH2  ARG  28          1HH2      ARG  28  21.062 -13.695 -13.695
  195   2HH2  ARG  28          2HH2      ARG  28  21.530 -12.313 -12.313
  196    H    LEU  29           H        LEU  29  16.473 -16.681 -16.681
  197    HA   LEU  29           HA       LEU  29  18.635 -18.512 -18.512
  198   1HB   LEU  29          1HB       LEU  29  15.693 -19.228 -19.228
  199   2HB   LEU  29          2HB       LEU  29  17.010 -19.425 -19.425
  200    HG   LEU  29           HG       LEU  29  15.323 -16.947 -16.947
  201   1HD1  LEU  29          3HD2      LEU  29  14.707 -18.612 -18.612
  202   2HD1  LEU  29          1HD2      LEU  29  16.213 -18.191 -18.191
  203   3HD1  LEU  29          2HD2      LEU  29  14.960 -16.944 -16.944
  204   1HD2  LEU  29          2HD1      LEU  29  17.761 -16.231 -16.231
  205   2HD2  LEU  29          3HD1      LEU  29  16.922 -15.521 -15.521
  206   3HD2  LEU  29          1HD1      LEU  29  18.029 -16.899 -16.899
  207    H    ALA  30           H        ALA  30  16.176 -18.562 -18.562
  208    HA   ALA  30           HA       ALA  30  16.043 -21.421 -21.421
  209   1HB   ALA  30          2HB       ALA  30  14.508 -19.735 -19.735
  210   2HB   ALA  30          3HB       ALA  30  15.845 -19.128 -19.128
  211   3HB   ALA  30          1HB       ALA  30  15.228 -20.781 -20.781
  212    H    ASN  31           H        ASN  31  18.584 -19.191 -19.191
  213    HA   ASN  31           HA       ASN  31  19.784 -20.573 -20.573
  214   1HB   ASN  31          2HB       ASN  31  20.471 -18.317 -18.317
  215   2HB   ASN  31          1HB       ASN  31  21.544 -19.403 -19.403
  216   1HD2  ASN  31          1HD2      ASN  31  23.810 -18.333 -18.333
  217   2HD2  ASN  31          2HD2      ASN  31  23.250 -18.066 -18.066
  218    H    GLY  32           H        GLY  32  20.160 -21.170 -21.170
  219   1HA   GLY  32          1HA       GLY  32  22.190 -23.257 -23.257
  220   2HA   GLY  32          2HA       GLY  32  20.995 -23.135 -23.135
  221    H    GLY  33           H        GLY  33  18.636 -23.506 -23.506
  222   1HA   GLY  33          1HA       GLY  33  18.928 -26.481 -26.481
  223   2HA   GLY  33          2HA       GLY  33  17.507 -25.756 -25.756
  224    H    ASN  34           H        ASN  34  16.225 -26.726 -26.726
  225    HA   ASN  34           HA       ASN  34  16.289 -25.265 -25.265
  226   1HB   ASN  34          1HB       ASN  34  15.884 -27.298 -27.298
  227   2HB   ASN  34          2HB       ASN  34  16.232 -28.068 -28.068
  228   1HD2  ASN  34          1HD2      ASN  34  12.789 -28.938 -28.938
  229   2HD2  ASN  34          2HD2      ASN  34  14.316 -28.503 -28.503
  230    H    GLY  35           H        GLY  35  14.400 -26.178 -26.178
  231   1HA   GLY  35          1HA       GLY  35  12.059 -24.543 -24.543
  232   2HA   GLY  35          2HA       GLY  35  11.832 -25.950 -25.950
  233    H    PHE  36           H        PHE  36  12.000 -25.794 -25.794
  234    HA   PHE  36           HA       PHE  36  12.444 -22.940 -22.940
  235   1HB   PHE  36          1HB       PHE  36  10.470 -25.163 -25.163
  236   2HB   PHE  36          2HB       PHE  36  10.922 -23.907 -23.907
  237    HD1  PHE  36           HD1      PHE  36   9.123 -24.613 -24.613
  238    HD2  PHE  36           HD2      PHE  36  10.067 -21.586 -21.586
  239    HE1  PHE  36           HE1      PHE  36   7.302 -23.209 -23.209
  240    HE2  PHE  36           HE2      PHE  36   8.239 -20.184 -20.184
  241    HZ   PHE  36           HZ       PHE  36   6.854 -20.992 -20.992
  242    H    TRP  37           H        TRP  37  12.271 -26.298 -26.298
  243    HA   TRP  37           HA       TRP  37  14.090 -25.758 -25.758
  244   1HB   TRP  37          2HB       TRP  37  13.746 -28.565 -28.565
  245   2HB   TRP  37          1HB       TRP  37  13.868 -28.130 -28.130
  246    HD1  TRP  37           HD1      TRP  37  11.586 -26.941 -26.941
  247    HE1  TRP  37           HE1      TRP  37   8.996 -27.329 -27.329
  248    HE3  TRP  37           HE3      TRP  37  12.127 -28.955 -28.955
  249    HZ2  TRP  37           HZ2      TRP  37   7.559 -28.323 -28.323
  250    HZ3  TRP  37           HZ3      TRP  37  10.103 -29.531 -29.531
  251    HH2  TRP  37           HH2      TRP  37   7.859 -29.343 -29.343
  252    HXT  TRP  37           HXT      TRP  37  16.367 -26.856 -26.856

  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  19.089   3.467   3.467
    2   2H    LYS   1          2H        LYS   1  17.809   4.558   4.558
    3   3H    LYS   1          3H        LYS   1  17.841   3.362   3.362
    4    HA   LYS   1           HA       LYS   1  16.271   2.753   2.753
    5   1HB   LYS   1          1HB       LYS   1  18.075   2.279   2.279
    6   2HB   LYS   1          2HB       LYS   1  16.604   3.240   3.240
    7   1HG   LYS   1          1HG       LYS   1  19.265   4.393   4.393
    8   2HG   LYS   1          2HG       LYS   1  18.916   4.400   4.400
    9   1HD   LYS   1          1HD       LYS   1  16.624   5.480   5.480
   10   2HD   LYS   1          2HD       LYS   1  18.119   6.263   6.263
   11   1HE   LYS   1          1HE       LYS   1  18.385   7.419   7.419
   12   2HE   LYS   1          2HE       LYS   1  18.156   5.960   5.960
   13   1HZ   LYS   1          1HZ       LYS   1  15.681   6.256   6.256
   14   2HZ   LYS   1          2HZ       LYS   1  16.144   7.861   7.861
   15   3HZ   LYS   1          3HZ       LYS   1  16.298   7.117   7.117
   16    H    TYR   2           H        TYR   2  16.327   1.125   1.125
   17    HA   TYR   2           HA       TYR   2  18.377  -1.005  -1.005
   18   1HB   TYR   2          1HB       TYR   2  16.819  -2.349  -2.349
   19   2HB   TYR   2          2HB       TYR   2  16.817  -0.717  -0.717
   20    HD1  TYR   2           HD2      TYR   2  14.930   0.873   0.873
   21    HD2  TYR   2           HD1      TYR   2  14.677  -3.366  -3.366
   22    HE1  TYR   2           HE2      TYR   2  12.482   0.991   0.991
   23    HE2  TYR   2           HE1      TYR   2  12.218  -3.234  -3.234
   24    HH   TYR   2           HH       TYR   2  10.458  -1.642  -1.642
   25    H    TYR   3           H        TYR   3  16.087  -0.118  -0.118
   26    HA   TYR   3           HA       TYR   3  15.781  -2.993  -2.993
   27   1HB   TYR   3          1HB       TYR   3  14.003  -1.894  -1.894
   28   2HB   TYR   3          2HB       TYR   3  13.589  -1.952  -1.952
   29    HD1  TYR   3           HD1      TYR   3  15.114   0.472   0.472
   30    HD2  TYR   3           HD2      TYR   3  12.840  -0.070  -0.070
   31    HE1  TYR   3           HE1      TYR   3  14.624   2.891   2.891
   32    HE2  TYR   3           HE2      TYR   3  12.364   2.339   2.339
   33    HH   TYR   3           HH       TYR   3  12.299   4.240   4.240
   34    H    GLY   4           H        GLY   4  18.196  -1.718  -1.718
   35   1HA   GLY   4          2HA       GLY   4  19.250  -0.087  -0.087
   36   2HA   GLY   4          1HA       GLY   4  19.845  -1.753  -1.753
   37    H    ASN   5           H        ASN   5  19.852  -2.854  -2.854
   38    HA   ASN   5           HA       ASN   5  18.764  -1.719  -1.719
   39   1HB   ASN   5          1HB       ASN   5  20.774  -2.792  -2.792
   40   2HB   ASN   5          2HB       ASN   5  20.694  -3.886  -3.886
   41   1HD2  ASN   5          1HD2      ASN   5  19.795  -5.276  -5.276
   42   2HD2  ASN   5          2HD2      ASN   5  20.317  -3.526  -3.526
   43    H    GLY   6           H        GLY   6  17.165  -2.254  -2.254
   44   1HA   GLY   6          1HA       GLY   6  15.518  -3.891  -3.891
   45   2HA   GLY   6          2HA       GLY   6  15.682  -4.865  -4.865
   46    H    VAL   7           H        VAL   7  15.354  -1.396  -1.396
   47    HA   VAL   7           HA       VAL   7  12.597  -1.798  -1.798
   48    HB   VAL   7           HB       VAL   7  13.612   1.008   1.008
   49   1HG1  VAL   7          2HG2      VAL   7  11.648   0.412   0.412
   50   2HG1  VAL   7          3HG2      VAL   7  12.816  -0.317  -0.317
   51   3HG1  VAL   7          1HG2      VAL   7  12.906   1.426   1.426
   52   1HG2  VAL   7          3HG1      VAL   7  15.840  -0.255  -0.255
   53   2HG2  VAL   7          1HG1      VAL   7  15.414   1.099   1.099
   54   3HG2  VAL   7          2HG1      VAL   7  15.163  -0.590  -0.590
   55    H    HIS   8           H        HIS   8  14.115  -0.384  -0.384
   56    HA   HIS   8           HA       HIS   8  13.151   0.102   0.102
   57   1HB   HIS   8          2HB       HIS   8  12.075  -2.305  -2.305
   58   2HB   HIS   8          1HB       HIS   8  10.614  -1.431  -1.431
   59    HD1  HIS   8           HD1      HIS   8  12.776  -0.626  -0.626
   60    HD2  HIS   8           HD2      HIS   8   9.017  -2.127  -2.127
   61    HE1  HIS   8           HE1      HIS   8  11.206  -0.937  -0.937
   62    HE2  HIS   8           HE2      HIS   8   8.873  -1.867  -1.867
   63    H    CYS   9           H        CYS   9  13.163   2.209   2.209
   64    HA   CYS   9           HA       CYS   9  10.303   3.307   3.307
   65   1HB   CYS   9          1HB       CYS   9  12.780   5.016   5.016
   66   2HB   CYS   9          2HB       CYS   9  11.144   5.182   5.182
   67    H    THR  10           H        THR  10   9.745   3.238   3.238
   68    HA   THR  10           HA       THR  10  11.592   4.783   4.783
   69    HB   THR  10           HB       THR  10  10.085   3.339   3.339
   70    HG1  THR  10           HG1      THR  10   9.729   1.293   1.293
   71   1HG2  THR  10          3HG2      THR  10  12.437   2.011   2.011
   72   2HG2  THR  10          1HG2      THR  10  11.788   1.472   1.472
   73   3HG2  THR  10          2HG2      THR  10  12.603   3.031   3.031
   74    H    LYS  11           H        LYS  11   8.292   3.712   3.712
   75    HA   LYS  11           HA       LYS  11   7.756   6.667   6.667
   76   1HB   LYS  11          1HB       LYS  11   5.808   5.132   5.132
   77   2HB   LYS  11          2HB       LYS  11   7.240   5.867   5.867
   78   1HG   LYS  11          1HG       LYS  11   8.020   3.758   3.758
   79   2HG   LYS  11          2HG       LYS  11   8.185   3.415   3.415
   80   1HD   LYS  11          1HD       LYS  11   5.561   2.818   2.818
   81   2HD   LYS  11          2HD       LYS  11   5.924   2.731   2.731
   82   1HE   LYS  11          1HE       LYS  11   8.121   1.331   1.331
   83   2HE   LYS  11          2HE       LYS  11   6.840   0.877   0.877
   84   1HZ   LYS  11          1HZ       LYS  11   5.966   0.862   0.862
   85   2HZ   LYS  11          2HZ       LYS  11   7.215  -0.220  -0.220
   86   3HZ   LYS  11          3HZ       LYS  11   5.790  -0.302  -0.302
   87    H    SER  12           H        SER  12   7.462   5.503   5.503
   88    HA   SER  12           HA       SER  12   5.021   6.839   6.839
   89   1HB   SER  12          1HB       SER  12   3.761   4.530   4.530
   90   2HB   SER  12          2HB       SER  12   3.392   5.347   5.347
   91    HG   SER  12           HG       SER  12   4.029   3.589   3.589
   92    H    GLY  13           H        GLY  13   7.133   7.249   7.249
   93   1HA   GLY  13          2HA       GLY  13   8.463   7.033   7.033
   94   2HA   GLY  13          1HA       GLY  13   6.956   6.522   6.522
   95    H    CYS  14           H        CYS  14   8.640   5.325   5.325
   96    HA   CYS  14           HA       CYS  14   9.780   2.891   2.891
   97   1HB   CYS  14          1HB       CYS  14   9.231   3.600   3.600
   98   2HB   CYS  14          2HB       CYS  14  10.158   2.184   2.184
   99    H    SER  15           H        SER  15   7.413   2.967   2.967
  100    HA   SER  15           HA       SER  15   5.593   1.488   1.488
  101   1HB   SER  15          1HB       SER  15   5.244   2.702   2.702
  102   2HB   SER  15          2HB       SER  15   4.527   1.099   1.099
  103    HG   SER  15           HG       SER  15   3.416   3.209   3.209
  104    H    VAL  16           H        VAL  16   7.158  -0.068  -0.068
  105    HA   VAL  16           HA       VAL  16   7.816  -2.142  -2.142
  106    HB   VAL  16           HB       VAL  16   8.563  -1.672  -1.672
  107   1HG1  VAL  16          2HG2      VAL  16   9.176  -4.293  -4.293
  108   2HG1  VAL  16          3HG2      VAL  16  10.016  -3.788  -3.788
  109   3HG1  VAL  16          1HG2      VAL  16   8.267  -4.129  -4.129
  110   1HG2  VAL  16          1HG1      VAL  16  10.084  -0.527  -0.527
  111   2HG2  VAL  16          2HG1      VAL  16  10.961  -1.811  -1.811
  112   3HG2  VAL  16          3HG1      VAL  16  10.442  -2.084  -2.084
  113    H    ASN  17           H        ASN  17   6.254  -3.325  -3.325
  114    HA   ASN  17           HA       ASN  17   4.071  -4.348  -4.348
  115   1HB   ASN  17          2HB       ASN  17   4.501  -4.597  -4.597
  116   2HB   ASN  17          1HB       ASN  17   5.551  -5.971  -5.971
  117   1HD2  ASN  17          1HD2      ASN  17   1.988  -7.175  -7.175
  118   2HD2  ASN  17          2HD2      ASN  17   3.095  -6.056  -6.056
  119    H    TRP  18           H        TRP  18   4.022  -5.319  -5.319
  120    HA   TRP  18           HA       TRP  18   6.505  -6.716  -6.716
  121   1HB   TRP  18          2HB       TRP  18   3.701  -6.198  -6.198
  122   2HB   TRP  18          1HB       TRP  18   4.958  -7.058  -7.058
  123    HD1  TRP  18           HD1      TRP  18   3.517  -3.841  -3.841
  124    HE1  TRP  18           HE1      TRP  18   5.127  -1.807  -1.807
  125    HE3  TRP  18           HE3      TRP  18   7.878  -6.255  -6.255
  126    HZ2  TRP  18           HZ2      TRP  18   7.953  -1.497  -1.497
  127    HZ3  TRP  18           HZ3      TRP  18  10.010  -5.003  -5.003
  128    HH2  TRP  18           HH2      TRP  18  10.061  -2.699  -2.699
  129    H    GLY  19           H        GLY  19   3.341  -7.557  -7.557
  130   1HA   GLY  19          2HA       GLY  19   3.452 -10.419 -10.419
  131   2HA   GLY  19          1HA       GLY  19   2.513  -9.740  -9.740
  132    H    GLU  20           H        GLU  20   4.330  -8.638  -8.638
  133    HA   GLU  20           HA       GLU  20   5.509 -10.960 -10.960
  134   1HB   GLU  20          1HB       GLU  20   5.808  -7.909  -7.909
  135   2HB   GLU  20          2HB       GLU  20   6.846  -8.940  -8.940
  136   1HG   GLU  20          1HG       GLU  20   3.905  -9.613  -9.613
  137   2HG   GLU  20          2HG       GLU  20   4.292  -7.991  -7.991
  138    HE1  GLU  20           HE2      GLU  20   6.465  -9.410  -9.410
  139    H    ALA  21           H        ALA  21   6.685  -8.771  -8.771
  140    HA   ALA  21           HA       ALA  21   9.530  -9.559  -9.559
  141   1HB   ALA  21          2HB       ALA  21   8.823  -7.383  -7.383
  142   2HB   ALA  21          3HB       ALA  21   8.048  -8.269  -8.269
  143   3HB   ALA  21          1HB       ALA  21   9.816  -8.324  -8.324
  144    H    PHE  22           H        PHE  22   6.806 -10.811 -10.811
  145    HA   PHE  22           HA       PHE  22   8.489 -12.827 -12.827
  146   1HB   PHE  22          1HB       PHE  22   5.938 -11.964 -11.964
  147   2HB   PHE  22          2HB       PHE  22   5.506 -13.207 -13.207
  148    HD1  PHE  22           HD2      PHE  22   6.371 -15.683 -15.683
  149    HD2  PHE  22           HD1      PHE  22   6.230 -12.498 -12.498
  150    HE1  PHE  22           HE2      PHE  22   6.321 -17.332 -17.332
  151    HE2  PHE  22           HE1      PHE  22   6.166 -14.149 -14.149
  152    HZ   PHE  22           HZ       PHE  22   6.221 -16.569 -16.569
  153    H    SER  23           H        SER  23   6.854 -12.581 -12.581
  154    HA   SER  23           HA       SER  23   7.533 -15.410 -15.410
  155   1HB   SER  23          1HB       SER  23   6.516 -13.003 -13.003
  156   2HB   SER  23          2HB       SER  23   7.021 -14.464 -14.464
  157    HG   SER  23           HG       SER  23   4.695 -14.067 -14.067
  158    H    ALA  24           H        ALA  24   9.024 -12.267 -12.267
  159    HA   ALA  24           HA       ALA  24  11.334 -13.364 -13.364
  160   1HB   ALA  24          2HB       ALA  24  10.598 -10.950 -10.950
  161   2HB   ALA  24          3HB       ALA  24  10.935 -10.683 -10.683
  162   3HB   ALA  24          1HB       ALA  24  12.267 -11.026 -11.026
  163    H    GLY  25           H        GLY  25  10.417 -13.063 -13.063
  164   1HA   GLY  25          1HA       GLY  25  13.228 -13.691 -13.691
  165   2HA   GLY  25          2HA       GLY  25  11.765 -13.613 -13.613
  166    H    VAL  26           H        VAL  26  10.049 -15.189 -15.189
  167    HA   VAL  26           HA       VAL  26  10.768 -17.913 -17.913
  168    HB   VAL  26           HB       VAL  26   8.751 -16.664 -16.664
  169   1HG1  VAL  26          1HG1      VAL  26   9.034 -19.745 -19.745
  170   2HG1  VAL  26          2HG1      VAL  26   7.675 -18.874 -18.874
  171   3HG1  VAL  26          3HG1      VAL  26   9.276 -18.764 -18.764
  172   1HG2  VAL  26          2HG2      VAL  26   8.157 -16.781 -16.781
  173   2HG2  VAL  26          3HG2      VAL  26   7.021 -17.691 -17.691
  174   3HG2  VAL  26          1HG2      VAL  26   8.261 -18.556 -18.556
  175    H    HIS  27           H        HIS  27  11.222 -16.096 -16.096
  176    HA   HIS  27           HA       HIS  27  12.516 -18.383 -18.383
  177   1HB   HIS  27          1HB       HIS  27  11.759 -15.515 -15.515
  178   2HB   HIS  27          2HB       HIS  27  13.448 -15.716 -15.716
  179    HD1  HIS  27           HD1      HIS  27  10.802 -15.324 -15.324
  180    HD2  HIS  27           HD2      HIS  27  13.105 -18.801 -18.801
  181    HE1  HIS  27           HE1      HIS  27  10.617 -17.023 -17.023
  182    HE2  HIS  27           HE2      HIS  27  11.980 -19.202 -19.202
  183    H    ARG  28           H        ARG  28  13.582 -15.649 -15.649
  184    HA   ARG  28           HA       ARG  28  16.431 -15.936 -15.936
  185   1HB   ARG  28          1HB       ARG  28  14.678 -14.460 -14.460
  186   2HB   ARG  28          2HB       ARG  28  15.492 -15.483 -15.483
  187   1HG   ARG  28          1HG       ARG  28  17.725 -14.552 -14.552
  188   2HG   ARG  28          2HG       ARG  28  17.046 -13.769 -13.769
  189   1HD   ARG  28          1HD       ARG  28  17.500 -12.403 -12.403
  190   2HD   ARG  28          2HD       ARG  28  16.098 -12.009 -12.009
  191    HE   ARG  28           HE       ARG  28  14.663 -12.813 -12.813
  192   1HH1  ARG  28          2HH1      ARG  28  17.795 -14.194 -14.194
  193   2HH1  ARG  28          1HH1      ARG  28  17.254 -14.960 -14.960
  194   1HH2  ARG  28          1HH2      ARG  28  14.152 -13.665 -13.665
  195   2HH2  ARG  28          2HH2      ARG  28  15.274 -14.675 -14.675
  196    H    LEU  29           H        LEU  29  14.267 -17.591 -17.591
  197    HA   LEU  29           HA       LEU  29  16.485 -19.295 -19.295
  198   1HB   LEU  29          1HB       LEU  29  13.543 -20.109 -20.109
  199   2HB   LEU  29          2HB       LEU  29  14.830 -20.360 -20.360
  200    HG   LEU  29           HG       LEU  29  13.003 -17.998 -17.998
  201   1HD1  LEU  29          2HD1      LEU  29  12.733 -19.634 -19.634
  202   2HD1  LEU  29          3HD1      LEU  29  14.367 -19.251 -19.251
  203   3HD1  LEU  29          1HD1      LEU  29  13.092 -18.010 -18.010
  204   1HD2  LEU  29          2HD2      LEU  29  15.908 -17.607 -17.607
  205   2HD2  LEU  29          3HD2      LEU  29  15.157 -16.832 -16.832
  206   3HD2  LEU  29          1HD2      LEU  29  14.586 -16.425 -16.425
  207    H    ALA  30           H        ALA  30  14.123 -19.517 -19.517
  208    HA   ALA  30           HA       ALA  30  15.046 -22.345 -22.345
  209   1HB   ALA  30          2HB       ALA  30  12.605 -21.730 -21.730
  210   2HB   ALA  30          3HB       ALA  30  13.003 -20.479 -20.479
  211   3HB   ALA  30          1HB       ALA  30  13.255 -22.200 -22.200
  212    H    ASN  31           H        ASN  31  16.747 -19.799 -19.799
  213    HA   ASN  31           HA       ASN  31  17.540 -20.193 -20.193
  214   1HB   ASN  31          2HB       ASN  31  17.575 -17.932 -17.932
  215   2HB   ASN  31          1HB       ASN  31  19.240 -18.456 -18.456
  216   1HD2  ASN  31          1HD2      ASN  31  19.848 -16.522 -16.522
  217   2HD2  ASN  31          2HD2      ASN  31  20.196 -16.822 -16.822
  218    H    GLY  32           H        GLY  32  18.589 -20.865 -20.865
  219   1HA   GLY  32          1HA       GLY  32  21.250 -21.847 -21.847
  220   2HA   GLY  32          2HA       GLY  32  20.116 -22.595 -22.595
  221    H    GLY  33           H        GLY  33  18.333 -23.884 -23.884
  222   1HA   GLY  33          1HA       GLY  33  18.178 -25.225 -25.225
  223   2HA   GLY  33          2HA       GLY  33  19.808 -25.793 -25.793
  224    H    ASN  34           H        ASN  34  16.578 -25.409 -25.409
  225    HA   ASN  34           HA       ASN  34  16.638 -28.346 -28.346
  226   1HB   ASN  34          1HB       ASN  34  17.090 -26.156 -26.156
  227   2HB   ASN  34          2HB       ASN  34  15.665 -27.074 -27.074
  228   1HD2  ASN  34          1HD2      ASN  34  19.290 -28.663 -28.663
  229   2HD2  ASN  34          2HD2      ASN  34  19.116 -27.037 -27.037
  230    H    GLY  35           H        GLY  35  14.806 -25.481 -25.481
  231   1HA   GLY  35          1HA       GLY  35  12.535 -25.763 -25.763
  232   2HA   GLY  35          2HA       GLY  35  12.212 -26.934 -26.934
  233    H    PHE  36           H        PHE  36  12.655 -26.072 -26.072
  234    HA   PHE  36           HA       PHE  36  12.066 -23.135 -23.135
  235   1HB   PHE  36          1HB       PHE  36   9.749 -23.920 -23.920
  236   2HB   PHE  36          2HB       PHE  36   9.942 -25.309 -25.309
  237    HD1  PHE  36           HD1      PHE  36  10.220 -24.919 -24.919
  238    HD2  PHE  36           HD2      PHE  36   8.828 -21.876 -21.876
  239    HE1  PHE  36           HE1      PHE  36   9.231 -23.696 -23.696
  240    HE2  PHE  36           HE2      PHE  36   7.824 -20.665 -20.665
  241    HZ   PHE  36           HZ       PHE  36   8.030 -21.567 -21.567
  242    H    TRP  37           H        TRP  37  11.663 -26.258 -26.258
  243    HA   TRP  37           HA       TRP  37  12.413 -25.327 -25.327
  244   1HB   TRP  37          1HB       TRP  37  13.341 -28.091 -28.091
  245   2HB   TRP  37          2HB       TRP  37  12.624 -27.665 -27.665
  246    HD1  TRP  37           HD1      TRP  37   9.890 -27.485 -27.485
  247    HE1  TRP  37           HE1      TRP  37   7.926 -28.525 -28.525
  248    HE3  TRP  37           HE3      TRP  37  12.729 -28.541 -28.541
  249    HZ2  TRP  37           HZ2      TRP  37   7.825 -29.540 -29.540
  250    HZ3  TRP  37           HZ3      TRP  37  11.661 -29.596 -29.596
  251    HH2  TRP  37           HH2      TRP  37   9.256 -30.138 -30.138
  252    HXT  TRP  37           HXT      TRP  37  15.928 -26.232 -26.232

  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1  19.710  -0.312  -0.312
    2   2H    LYS   1          2H        LYS   1  21.338  -0.729  -0.729
    3   3H    LYS   1          3H        LYS   1  20.883   0.890   0.890
    4    HA   LYS   1           HA       LYS   1  20.318   0.962   0.962
    5   1HB   LYS   1          1HB       LYS   1  22.730  -0.907  -0.907
    6   2HB   LYS   1          2HB       LYS   1  22.279  -0.431  -0.431
    7   1HG   LYS   1          1HG       LYS   1  23.989   1.156   1.156
    8   2HG   LYS   1          2HG       LYS   1  22.469   2.046   2.046
    9   1HD   LYS   1          1HD       LYS   1  22.783   2.517   2.517
   10   2HD   LYS   1          2HD       LYS   1  22.953   0.798   0.798
   11   1HE   LYS   1          1HE       LYS   1  25.240   2.461   2.461
   12   2HE   LYS   1          2HE       LYS   1  25.090   2.215   2.215
   13   1HZ   LYS   1          1HZ       LYS   1  24.861  -0.286  -0.286
   14   2HZ   LYS   1          2HZ       LYS   1  25.732   0.265   0.265
   15   3HZ   LYS   1          3HZ       LYS   1  26.360   0.442   0.442
   16    H    TYR   2           H        TYR   2  19.852  -0.007  -0.007
   17    HA   TYR   2           HA       TYR   2  19.037  -2.901  -2.901
   18   1HB   TYR   2          1HB       TYR   2  16.699  -1.105  -1.105
   19   2HB   TYR   2          2HB       TYR   2  16.679  -2.688  -2.688
   20    HD1  TYR   2           HD1      TYR   2  16.905  -3.005  -3.005
   21    HD2  TYR   2           HD2      TYR   2  16.779   0.914   0.914
   22    HE1  TYR   2           HE1      TYR   2  16.376  -2.019  -2.019
   23    HE2  TYR   2           HE2      TYR   2  16.248   1.882   1.882
   24    HH   TYR   2           HH       TYR   2  16.525   1.302   1.302
   25    H    TYR   3           H        TYR   3  20.770  -2.356  -2.356
   26    HA   TYR   3           HA       TYR   3  19.624  -1.257  -1.257
   27   1HB   TYR   3          2HB       TYR   3  22.464  -2.324  -2.324
   28   2HB   TYR   3          1HB       TYR   3  22.016  -1.675  -1.675
   29    HD1  TYR   3           HD2      TYR   3  20.822  -0.170  -0.170
   30    HD2  TYR   3           HD1      TYR   3  23.705   0.097   0.097
   31    HE1  TYR   3           HE2      TYR   3  21.590   1.994   1.994
   32    HE2  TYR   3           HE1      TYR   3  24.467   2.270   2.270
   33    HH   TYR   3           HH       TYR   3  22.768   3.944   3.944
   34    H    GLY   4           H        GLY   4  18.382  -3.534  -3.534
   35   1HA   GLY   4          1HA       GLY   4  19.694  -5.926  -5.926
   36   2HA   GLY   4          2HA       GLY   4  18.120  -5.911  -5.911
   37    H    ASN   5           H        ASN   5  16.364  -5.937  -5.937
   38    HA   ASN   5           HA       ASN   5  16.288  -4.965  -4.965
   39   1HB   ASN   5          1HB       ASN   5  17.469  -7.259  -7.259
   40   2HB   ASN   5          2HB       ASN   5  16.065  -8.014  -8.014
   41   1HD2  ASN   5          1HD2      ASN   5  14.676  -8.459  -8.459
   42   2HD2  ASN   5          2HD2      ASN   5  14.948  -9.092  -9.092
   43    H    GLY   6           H        GLY   6  14.931  -4.605  -4.605
   44   1HA   GLY   6          1HA       GLY   6  12.109  -5.104  -5.104
   45   2HA   GLY   6          2HA       GLY   6  12.459  -5.483  -5.483
   46    H    VAL   7           H        VAL   7  13.006  -2.860  -2.860
   47    HA   VAL   7           HA       VAL   7  11.496  -0.930  -0.930
   48    HB   VAL   7           HB       VAL   7  14.564  -0.983  -0.983
   49   1HG1  VAL   7          1HG1      VAL   7  13.010   1.654   1.654
   50   2HG1  VAL   7          2HG1      VAL   7  14.739   1.387   1.387
   51   3HG1  VAL   7          3HG1      VAL   7  14.164   1.347   1.347
   52   1HG2  VAL   7          2HG2      VAL   7  13.363  -1.815  -1.815
   53   2HG2  VAL   7          3HG2      VAL   7  14.383  -0.413  -0.413
   54   3HG2  VAL   7          1HG2      VAL   7  12.616  -0.214  -0.214
   55    H    HIS   8           H        HIS   8  14.246  -0.849  -0.849
   56    HA   HIS   8           HA       HIS   8  14.539   0.721   0.721
   57   1HB   HIS   8          2HB       HIS   8  13.292  -0.338  -0.338
   58   2HB   HIS   8          1HB       HIS   8  14.052  -1.557  -1.557
   59    HD1  HIS   8           HD1      HIS   8  10.446  -0.066  -0.066
   60    HD2  HIS   8           HD2      HIS   8  12.657  -3.477  -3.477
   61    HE1  HIS   8           HE1      HIS   8   8.894  -2.038  -2.038
   62    HE2  HIS   8           HE2      HIS   8  10.115  -4.189  -4.189
   63    H    CYS   9           H        CYS   9  13.332   2.235   2.235
   64    HA   CYS   9           HA       CYS   9  10.899   3.513   3.513
   65   1HB   CYS   9          1HB       CYS   9  13.601   4.837   4.837
   66   2HB   CYS   9          2HB       CYS   9  12.057   5.702   5.702
   67    H    THR  10           H        THR  10  10.215   3.523   3.523
   68    HA   THR  10           HA       THR  10  11.347   5.418   5.418
   69    HB   THR  10           HB       THR  10  13.167   3.680   3.680
   70    HG1  THR  10           HG1      THR  10  13.057   3.391   3.391
   71   1HG2  THR  10          3HG2      THR  10  11.008   1.728   1.728
   72   2HG2  THR  10          1HG2      THR  10  12.766   1.448   1.448
   73   3HG2  THR  10          2HG2      THR  10  11.921   1.510   1.510
   74    H    LYS  11           H        LYS  11   8.872   4.640   4.640
   75    HA   LYS  11           HA       LYS  11   7.305   4.203   4.203
   76   1HB   LYS  11          1HB       LYS  11   6.919   2.302   2.302
   77   2HB   LYS  11          2HB       LYS  11   6.012   2.256   2.256
   78   1HG   LYS  11          1HG       LYS  11   8.421   1.896   1.896
   79   2HG   LYS  11          2HG       LYS  11   8.967   1.511   1.511
   80   1HD   LYS  11          1HD       LYS  11   8.408  -0.620  -0.620
   81   2HD   LYS  11          2HD       LYS  11   6.805  -0.166  -0.166
   82   1HE   LYS  11          1HE       LYS  11   6.157  -0.752  -0.752
   83   2HE   LYS  11          2HE       LYS  11   6.536   0.951   0.951
   84   1HZ   LYS  11          3HZ       LYS  11   8.951  -0.034  -0.034
   85   2HZ   LYS  11          1HZ       LYS  11   8.094  -1.428  -1.428
   86   3HZ   LYS  11          2HZ       LYS  11   7.837  -0.013  -0.013
   87    H    SER  12           H        SER  12   7.558   6.450   6.450
   88    HA   SER  12           HA       SER  12   6.156   8.153   8.153
   89   1HB   SER  12          1HB       SER  12   4.507   6.886   6.886
   90   2HB   SER  12          2HB       SER  12   3.665   6.373   6.373
   91    HG   SER  12           HG       SER  12   4.105   8.945   8.945
   92    H    GLY  13           H        GLY  13   7.502   6.537   6.537
   93   1HA   GLY  13          1HA       GLY  13   7.041   6.958   6.958
   94   2HA   GLY  13          2HA       GLY  13   5.498   6.122   6.122
   95    H    CYS  14           H        CYS  14   7.413   5.350   5.350
   96    HA   CYS  14           HA       CYS  14   8.971   3.100   3.100
   97   1HB   CYS  14          1HB       CYS  14   8.810   4.053   4.053
   98   2HB   CYS  14          2HB       CYS  14   9.943   2.833   2.833
   99    H    SER  15           H        SER  15   7.776   2.477   2.477
  100    HA   SER  15           HA       SER  15   5.458   0.955   0.955
  101   1HB   SER  15          1HB       SER  15   7.583  -0.225  -0.225
  102   2HB   SER  15          2HB       SER  15   7.260  -1.357  -1.357
  103    HG   SER  15           HG       SER  15   5.343  -1.759  -1.759
  104    H    VAL  16           H        VAL  16   8.739   0.679   0.679
  105    HA   VAL  16           HA       VAL  16   7.798  -1.005  -1.005
  106    HB   VAL  16           HB       VAL  16  10.426  -0.080  -0.080
  107   1HG1  VAL  16          2HG2      VAL  16  10.260  -0.615  -0.615
  108   2HG1  VAL  16          3HG2      VAL  16  11.763  -0.660  -0.660
  109   3HG1  VAL  16          1HG2      VAL  16  10.849   0.865   0.865
  110   1HG2  VAL  16          1HG1      VAL  16   9.781  -2.493  -2.493
  111   2HG2  VAL  16          2HG1      VAL  16  11.282  -2.368  -2.368
  112   3HG2  VAL  16          3HG1      VAL  16   9.772  -2.741  -2.741
  113    H    ASN  17           H        ASN  17   6.607  -0.121  -0.121
  114    HA   ASN  17           HA       ASN  17   6.919   2.635   2.635
  115   1HB   ASN  17          2HB       ASN  17   5.781   0.911   0.911
  116   2HB   ASN  17          1HB       ASN  17   4.939   2.052   2.052
  117   1HD2  ASN  17          1HD2      ASN  17   3.885  -1.671  -1.671
  118   2HD2  ASN  17          2HD2      ASN  17   4.803  -0.988  -0.988
  119    H    TRP  18           H        TRP  18   8.120   3.569   3.569
  120    HA   TRP  18           HA       TRP  18  10.332   1.860   1.860
  121   1HB   TRP  18          2HB       TRP  18   9.994   4.939   4.939
  122   2HB   TRP  18          1HB       TRP  18  11.400   4.191   4.191
  123    HD1  TRP  18           HD1      TRP  18  10.455   5.692   5.692
  124    HE1  TRP  18           HE1      TRP  18  11.726   4.794   4.794
  125    HE3  TRP  18           HE3      TRP  18  12.342   1.486   1.486
  126    HZ2  TRP  18           HZ2      TRP  18  13.307   2.481   2.481
  127    HZ3  TRP  18           HZ3      TRP  18  13.651  -0.096  -0.096
  128    HH2  TRP  18           HH2      TRP  18  14.246   0.460   0.460
  129    H    GLY  19           H        GLY  19   7.842   4.192   4.192
  130   1HA   GLY  19          2HA       GLY  19   8.433   4.130   4.130
  131   2HA   GLY  19          1HA       GLY  19   6.885   4.603   4.603
  132    H    GLU  20           H        GLU  20   6.259   2.353   2.353
  133    HA   GLU  20           HA       GLU  20   5.226   0.544   0.544
  134   1HB   GLU  20          1HB       GLU  20   5.386   0.533   0.533
  135   2HB   GLU  20          2HB       GLU  20   4.949  -0.958  -0.958
  136   1HG   GLU  20          1HG       GLU  20   2.796  -0.113  -0.113
  137   2HG   GLU  20          2HG       GLU  20   3.059   0.592   0.592
  138    HE2  GLU  20           HE2      GLU  20   1.941   2.883   2.883
  139    H    ALA  21           H        ALA  21   8.117   0.616   0.616
  140    HA   ALA  21           HA       ALA  21   8.964  -2.126  -2.126
  141   1HB   ALA  21          2HB       ALA  21   9.905  -0.856  -0.856
  142   2HB   ALA  21          3HB       ALA  21  10.613   0.361   0.361
  143   3HB   ALA  21          1HB       ALA  21  11.217  -1.313  -1.313
  144    H    PHE  22           H        PHE  22   9.112   0.992   0.992
  145    HA   PHE  22           HA       PHE  22  10.896  -0.020  -0.020
  146   1HB   PHE  22          1HB       PHE  22  10.016   2.525   2.525
  147   2HB   PHE  22          2HB       PHE  22   8.873   2.216   2.216
  148    HD1  PHE  22           HD2      PHE  22  12.572   2.435   2.435
  149    HD2  PHE  22           HD1      PHE  22   9.461   2.513   2.513
  150    HE1  PHE  22           HE2      PHE  22  14.176   3.276   3.276
  151    HE2  PHE  22           HE1      PHE  22  11.073   3.328   3.328
  152    HZ   PHE  22           HZ       PHE  22  13.431   3.724   3.724
  153    H    SER  23           H        SER  23   7.464   0.109   0.109
  154    HA   SER  23           HA       SER  23   6.771  -1.102  -1.102
  155   1HB   SER  23          1HB       SER  23   4.924   0.041   0.041
  156   2HB   SER  23          2HB       SER  23   5.235  -0.484  -0.484
  157    HG   SER  23           HG       SER  23   3.559  -1.518  -1.518
  158    H    ALA  24           H        ALA  24   7.690  -2.227  -2.227
  159    HA   ALA  24           HA       ALA  24   7.189  -5.092  -5.092
  160   1HB   ALA  24          2HB       ALA  24   6.964  -4.301  -4.301
  161   2HB   ALA  24          3HB       ALA  24   8.674  -3.809  -3.809
  162   3HB   ALA  24          1HB       ALA  24   8.238  -5.530  -5.530
  163    H    GLY  25           H        GLY  25   9.751  -2.766  -2.766
  164   1HA   GLY  25          1HA       GLY  25  11.824  -4.909  -4.909
  165   2HA   GLY  25          2HA       GLY  25  12.053  -3.155  -3.155
  166    H    VAL  26           H        VAL  26  10.006  -2.350  -2.350
  167    HA   VAL  26           HA       VAL  26  10.589  -3.081  -3.081
  168    HB   VAL  26           HB       VAL  26   8.115  -1.885  -1.885
  169   1HG1  VAL  26          1HG1      VAL  26   8.243  -2.270  -2.270
  170   2HG1  VAL  26          2HG1      VAL  26   7.052  -1.273  -1.273
  171   3HG1  VAL  26          3HG1      VAL  26   7.061  -3.013  -3.013
  172   1HG2  VAL  26          2HG2      VAL  26  10.115  -0.358  -0.358
  173   2HG2  VAL  26          3HG2      VAL  26   8.688   0.213   0.213
  174   3HG2  VAL  26          1HG2      VAL  26  10.004  -0.597  -0.597
  175    H    HIS  27           H        HIS  27   8.323  -4.416  -4.416
  176    HA   HIS  27           HA       HIS  27   7.240  -6.423  -6.423
  177   1HB   HIS  27          1HB       HIS  27   6.737  -5.522  -5.522
  178   2HB   HIS  27          2HB       HIS  27   7.462  -7.104  -7.104
  179    HD1  HIS  27           HD1      HIS  27   5.697  -9.072  -9.072
  180    HD2  HIS  27           HD2      HIS  27   4.729  -5.590  -5.590
  181    HE1  HIS  27           HE1      HIS  27   3.378  -9.337  -9.337
  182    HE2  HIS  27           HE2      HIS  27   2.660  -7.278  -7.278
  183    H    ARG  28           H        ARG  28   9.930  -6.320  -6.320
  184    HA   ARG  28           HA       ARG  28  10.769  -9.090  -9.090
  185   1HB   ARG  28          1HB       ARG  28  11.799  -6.676  -6.676
  186   2HB   ARG  28          2HB       ARG  28  12.978  -7.040  -7.040
  187   1HG   ARG  28          1HG       ARG  28  13.707  -9.063  -9.063
  188   2HG   ARG  28          2HG       ARG  28  12.158  -9.306  -9.306
  189   1HD   ARG  28          1HD       ARG  28  12.766  -8.000  -8.000
  190   2HD   ARG  28          2HD       ARG  28  13.519  -6.745  -6.745
  191    HE   ARG  28           HE       ARG  28  15.594  -7.971  -7.971
  192   1HH1  ARG  28          2HH1      ARG  28  13.170  -9.762  -9.762
  193   2HH1  ARG  28          1HH1      ARG  28  14.423 -10.894 -10.894
  194   1HH2  ARG  28          1HH2      ARG  28  16.890  -9.232  -9.232
  195   2HH2  ARG  28          2HH2      ARG  28  16.447 -10.610 -10.610
  196    H    LEU  29           H        LEU  29  11.936  -6.331  -6.331
  197    HA   LEU  29           HA       LEU  29  13.125  -7.996  -7.996
  198   1HB   LEU  29          1HB       LEU  29  12.881  -5.852  -5.852
  199   2HB   LEU  29          2HB       LEU  29  13.844  -5.722  -5.722
  200    HG   LEU  29           HG       LEU  29  11.401  -4.871  -4.871
  201   1HD1  LEU  29          3HD2      LEU  29  10.383  -4.993  -4.993
  202   2HD1  LEU  29          1HD2      LEU  29  11.513  -3.735  -3.735
  203   3HD1  LEU  29          2HD2      LEU  29  10.294  -3.376  -3.376
  204   1HD2  LEU  29          2HD1      LEU  29  13.682  -3.763  -3.763
  205   2HD2  LEU  29          3HD1      LEU  29  12.387  -2.586  -2.586
  206   3HD2  LEU  29          1HD1      LEU  29  13.488  -3.098  -3.098
  207    H    ALA  30           H        ALA  30   9.868  -6.895  -6.895
  208    HA   ALA  30           HA       ALA  30   9.112  -7.879  -7.879
  209   1HB   ALA  30          2HB       ALA  30   8.315  -5.601  -5.601
  210   2HB   ALA  30          3HB       ALA  30   7.497  -6.319  -6.319
  211   3HB   ALA  30          1HB       ALA  30   6.925  -6.677  -6.677
  212    H    ASN  31           H        ASN  31   9.877  -9.622  -9.622
  213    HA   ASN  31           HA       ASN  31   7.646 -11.134 -11.134
  214   1HB   ASN  31          2HB       ASN  31  10.364 -11.521 -11.521
  215   2HB   ASN  31          1HB       ASN  31  10.039 -12.614 -12.614
  216   1HD2  ASN  31          1HD2      ASN  31   9.896 -14.620 -14.620
  217   2HD2  ASN  31          2HD2      ASN  31  11.157 -13.522 -13.522
  218    H    GLY  32           H        GLY  32   8.954 -10.954 -10.954
  219   1HA   GLY  32          1HA       GLY  32   6.629 -12.763 -12.763
  220   2HA   GLY  32          2HA       GLY  32   8.109 -12.479 -12.479
  221    H    GLY  33           H        GLY  33   8.326 -10.774 -10.774
  222   1HA   GLY  33          1HA       GLY  33   7.597  -8.872  -8.872
  223   2HA   GLY  33          2HA       GLY  33   6.932  -8.246  -8.246
  224    H    ASN  34           H        ASN  34   4.890  -7.960  -7.960
  225    HA   ASN  34           HA       ASN  34   2.777  -9.605  -9.605
  226   1HB   ASN  34          1HB       ASN  34   3.651  -9.208  -9.208
  227   2HB   ASN  34          2HB       ASN  34   3.783  -7.484  -7.484
  228   1HD2  ASN  34          1HD2      ASN  34   0.509  -8.794  -8.794
  229   2HD2  ASN  34          2HD2      ASN  34   2.187  -9.557  -9.557
  230    H    GLY  35           H        GLY  35   3.260  -6.155  -6.155
  231   1HA   GLY  35          1HA       GLY  35   0.856  -5.619  -5.619
  232   2HA   GLY  35          2HA       GLY  35   1.498  -4.497  -4.497
  233    H    PHE  36           H        PHE  36   3.191  -3.211  -3.211
  234    HA   PHE  36           HA       PHE  36   4.573  -3.416  -3.416
  235   1HB   PHE  36          1HB       PHE  36   2.620  -2.159  -2.159
  236   2HB   PHE  36          2HB       PHE  36   2.522  -1.219  -1.219
  237    HD1  PHE  36           HD2      PHE  36   4.269   0.649   0.649
  238    HD2  PHE  36           HD1      PHE  36   3.965  -1.425  -1.425
  239    HE1  PHE  36           HE2      PHE  36   5.406   2.519   2.519
  240    HE2  PHE  36           HE1      PHE  36   5.100   0.445   0.445
  241    HZ   PHE  36           HZ       PHE  36   5.822   2.423   2.423
  242    H    TRP  37           H        TRP  37   3.817  -1.176  -1.176
  243    HA   TRP  37           HA       TRP  37   6.747  -0.375  -0.375
  244   1HB   TRP  37          1HB       TRP  37   5.873   1.210   1.210
  245   2HB   TRP  37          2HB       TRP  37   5.184   1.492   1.492
  246    HD1  TRP  37           HD1      TRP  37   4.229  -0.314  -0.314
  247    HE1  TRP  37           HE1      TRP  37   1.611  -0.137  -0.137
  248    HE3  TRP  37           HE3      TRP  37   3.081   1.874   1.874
  249    HZ2  TRP  37           HZ2      TRP  37  -0.529   0.924   0.924
  250    HZ3  TRP  37           HZ3      TRP  37   0.725   2.456   2.456
  251    HH2  TRP  37           HH2      TRP  37  -1.054   2.006   2.006
  252    HXT  TRP  37           HXT      TRP  37   6.322  -3.095  -3.095

  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  17.396  -4.897  -4.897
    2   2H    LYS   1          2H        LYS   1  15.949  -4.941  -4.941
    3   3H    LYS   1          3H        LYS   1  15.949  -5.182  -5.182
    4    HA   LYS   1           HA       LYS   1  15.279  -3.069  -3.069
    5   1HB   LYS   1          1HB       LYS   1  16.124  -1.419  -1.419
    6   2HB   LYS   1          2HB       LYS   1  15.194  -2.761  -2.761
    7   1HG   LYS   1          1HG       LYS   1  16.963  -3.111  -3.111
    8   2HG   LYS   1          2HG       LYS   1  17.838  -3.785  -3.785
    9   1HD   LYS   1          1HD       LYS   1  19.392  -2.169  -2.169
   10   2HD   LYS   1          2HD       LYS   1  18.281  -1.017  -1.017
   11   1HE   LYS   1          1HE       LYS   1  17.393  -0.231  -0.231
   12   2HE   LYS   1          2HE       LYS   1  17.691  -1.755  -1.755
   13   1HZ   LYS   1          3HZ       LYS   1  20.187  -1.089  -1.089
   14   2HZ   LYS   1          1HZ       LYS   1  19.520   0.451   0.451
   15   3HZ   LYS   1          2HZ       LYS   1  19.416  -0.589  -0.589
   16    H    TYR   2           H        TYR   2  16.150  -2.879  -2.879
   17    HA   TYR   2           HA       TYR   2  19.069  -1.959  -1.959
   18   1HB   TYR   2          1HB       TYR   2  17.609  -2.857  -2.857
   19   2HB   TYR   2          2HB       TYR   2  19.303  -3.001  -3.001
   20    HD1  TYR   2           HD1      TYR   2  20.172  -4.874  -4.874
   21    HD2  TYR   2           HD2      TYR   2  16.046  -4.660  -4.660
   22    HE1  TYR   2           HE1      TYR   2  19.881  -7.264  -7.264
   23    HE2  TYR   2           HE2      TYR   2  15.770  -7.040  -7.040
   24    HH   TYR   2           HH       TYR   2  18.277  -8.856  -8.856
   25    H    TYR   3           H        TYR   3  15.878  -1.163  -1.163
   26    HA   TYR   3           HA       TYR   3  14.991   0.594   0.594
   27   1HB   TYR   3          1HB       TYR   3  15.530   2.852   2.852
   28   2HB   TYR   3          2HB       TYR   3  14.727   1.612   1.612
   29    HD1  TYR   3           HD1      TYR   3  18.434   1.327   1.327
   30    HD2  TYR   3           HD2      TYR   3  15.259   2.660   2.660
   31    HE1  TYR   3           HE1      TYR   3  20.053   1.694   1.694
   32    HE2  TYR   3           HE2      TYR   3  16.881   3.016   3.016
   33    HH   TYR   3           HH       TYR   3  19.669   3.539   3.539
   34    H    GLY   4           H        GLY   4  16.900  -0.268  -0.268
   35   1HA   GLY   4          1HA       GLY   4  17.439   2.272   2.272
   36   2HA   GLY   4          2HA       GLY   4  18.944   1.617   1.617
   37    H    ASN   5           H        ASN   5  19.240  -0.772  -0.772
   38    HA   ASN   5           HA       ASN   5  19.775  -1.018  -1.018
   39   1HB   ASN   5          1HB       ASN   5  20.392  -2.495  -2.495
   40   2HB   ASN   5          2HB       ASN   5  19.335  -3.629  -3.629
   41   1HD2  ASN   5          1HD2      ASN   5  21.818  -4.357  -4.357
   42   2HD2  ASN   5          2HD2      ASN   5  19.989  -4.201  -4.201
   43    H    GLY   6           H        GLY   6  17.475  -3.129  -3.129
   44   1HA   GLY   6          2HA       GLY   6  16.296  -3.884  -3.884
   45   2HA   GLY   6          1HA       GLY   6  15.875  -4.590  -4.590
   46    H    VAL   7           H        VAL   7  15.628  -1.486  -1.486
   47    HA   VAL   7           HA       VAL   7  12.774  -1.591  -1.591
   48    HB   VAL   7           HB       VAL   7  14.496   0.962   0.962
   49   1HG1  VAL   7          2HG2      VAL   7  11.941   1.360   1.360
   50   2HG1  VAL   7          3HG2      VAL   7  11.894   0.720   0.720
   51   3HG1  VAL   7          1HG2      VAL   7  12.820   2.202   2.202
   52   1HG2  VAL   7          3HG1      VAL   7  15.334  -0.591  -0.591
   53   2HG2  VAL   7          1HG1      VAL   7  14.921   1.079   1.079
   54   3HG2  VAL   7          2HG1      VAL   7  13.813  -0.270  -0.270
   55    H    HIS   8           H        HIS   8  14.715  -0.346  -0.346
   56    HA   HIS   8           HA       HIS   8  14.041   0.405   0.405
   57   1HB   HIS   8          2HB       HIS   8  12.582  -2.149  -2.149
   58   2HB   HIS   8          1HB       HIS   8  11.785  -1.356  -1.356
   59    HD1  HIS   8           HD1      HIS   8  15.175  -0.420  -0.420
   60    HD2  HIS   8           HD2      HIS   8  12.911  -4.064  -4.064
   61    HE1  HIS   8           HE1      HIS   8  16.282  -2.206  -2.206
   62    HE2  HIS   8           HE2      HIS   8  14.991  -4.485  -4.485
   63    H    CYS   9           H        CYS   9  13.410   2.364   2.364
   64    HA   CYS   9           HA       CYS   9  10.437   2.903   2.903
   65   1HB   CYS   9          1HB       CYS   9  12.817   4.857   4.857
   66   2HB   CYS   9          2HB       CYS   9  11.118   5.230   5.230
   67    H    THR  10           H        THR  10   9.712   2.549   2.549
   68    HA   THR  10           HA       THR  10  11.055   4.222   4.222
   69    HB   THR  10           HB       THR  10  10.206   2.411   2.411
   70    HG1  THR  10           HG1      THR  10   9.696   0.427   0.427
   71   1HG2  THR  10          3HG2      THR  10  12.156   1.304   1.304
   72   2HG2  THR  10          1HG2      THR  10  11.908   0.618   0.618
   73   3HG2  THR  10          2HG2      THR  10  12.638   2.212   2.212
   74    H    LYS  11           H        LYS  11   9.945   5.920   5.920
   75    HA   LYS  11           HA       LYS  11   8.061   7.312   7.312
   76   1HB   LYS  11          1HB       LYS  11   8.246   5.116   5.116
   77   2HB   LYS  11          2HB       LYS  11   6.605   5.737   5.737
   78   1HG   LYS  11          1HG       LYS  11   8.318   8.082   8.082
   79   2HG   LYS  11          2HG       LYS  11   9.028   6.985   6.985
   80   1HD   LYS  11          1HD       LYS  11   6.023   7.375   7.375
   81   2HD   LYS  11          2HD       LYS  11   7.005   8.813   8.813
   82   1HE   LYS  11          1HE       LYS  11   6.955   7.837   7.837
   83   2HE   LYS  11          2HE       LYS  11   8.466   7.151   7.151
   84   1HZ   LYS  11          3HZ       LYS  11   7.205   5.203   5.203
   85   2HZ   LYS  11          1HZ       LYS  11   5.798   5.836   5.836
   86   3HZ   LYS  11          2HZ       LYS  11   7.093   5.427   5.427
   87    H    SER  12           H        SER  12   7.558   6.436   6.436
   88    HA   SER  12           HA       SER  12   4.773   6.440   6.440
   89   1HB   SER  12          1HB       SER  12   4.989   4.183   4.183
   90   2HB   SER  12          2HB       SER  12   5.465   3.448   3.448
   91    HG   SER  12           HG       SER  12   3.089   3.674   3.674
   92    H    GLY  13           H        GLY  13   6.944   7.394   7.394
   93   1HA   GLY  13          1HA       GLY  13   8.100   7.459   7.459
   94   2HA   GLY  13          2HA       GLY  13   6.642   6.694   6.694
   95    H    CYS  14           H        CYS  14   7.064   4.992   4.992
   96    HA   CYS  14           HA       CYS  14   8.865   2.907   2.907
   97   1HB   CYS  14          1HB       CYS  14   8.922   3.550   3.550
   98   2HB   CYS  14          2HB       CYS  14   9.942   2.374   2.374
   99    H    SER  15           H        SER  15   7.096   3.033   3.033
  100    HA   SER  15           HA       SER  15   5.464   1.513   1.513
  101   1HB   SER  15          1HB       SER  15   4.456   2.452   2.452
  102   2HB   SER  15          2HB       SER  15   3.512   1.221   1.221
  103    HG   SER  15           HG       SER  15   3.932   2.915   2.915
  104    H    VAL  16           H        VAL  16   7.759   0.288   0.288
  105    HA   VAL  16           HA       VAL  16   6.790  -1.949  -1.949
  106    HB   VAL  16           HB       VAL  16   9.055  -1.513  -1.513
  107   1HG1  VAL  16          1HG1      VAL  16   9.725  -1.158  -1.158
  108   2HG1  VAL  16          2HG1      VAL  16  10.887  -1.045  -1.045
  109   3HG1  VAL  16          3HG1      VAL  16   9.603   0.142   0.142
  110   1HG2  VAL  16          2HG2      VAL  16   8.939  -3.985  -3.985
  111   2HG2  VAL  16          3HG2      VAL  16  10.538  -3.307  -3.307
  112   3HG2  VAL  16          1HG2      VAL  16   9.427  -3.641  -3.641
  113    H    ASN  17           H        ASN  17   6.197  -3.873  -3.873
  114    HA   ASN  17           HA       ASN  17   5.522  -4.629  -4.629
  115   1HB   ASN  17          2HB       ASN  17   4.705  -5.440  -5.440
  116   2HB   ASN  17          1HB       ASN  17   5.513  -6.850  -6.850
  117   1HD2  ASN  17          1HD2      ASN  17   2.484  -7.772  -7.772
  118   2HD2  ASN  17          2HD2      ASN  17   3.874  -8.205  -8.205
  119    H    TRP  18           H        TRP  18   6.527  -5.714  -5.714
  120    HA   TRP  18           HA       TRP  18   9.322  -6.665  -6.665
  121   1HB   TRP  18          2HB       TRP  18   8.103  -6.151  -6.151
  122   2HB   TRP  18          1HB       TRP  18   9.788  -6.494  -6.494
  123    HD1  TRP  18           HD1      TRP  18   7.808  -3.663  -3.663
  124    HE1  TRP  18           HE1      TRP  18   8.788  -1.301  -1.301
  125    HE3  TRP  18           HE3      TRP  18  11.023  -5.446  -5.446
  126    HZ2  TRP  18           HZ2      TRP  18  10.734  -0.528  -0.528
  127    HZ3  TRP  18           HZ3      TRP  18  12.554  -3.868  -3.868
  128    HH2  TRP  18           HH2      TRP  18  12.429  -1.445  -1.445
  129    H    GLY  19           H        GLY  19   6.247  -7.767  -7.767
  130   1HA   GLY  19          2HA       GLY  19   7.228 -10.442 -10.442
  131   2HA   GLY  19          1HA       GLY  19   5.548 -10.036 -10.036
  132    H    GLU  20           H        GLU  20   5.602  -9.224  -9.224
  133    HA   GLU  20           HA       GLU  20   5.959 -11.750 -11.750
  134   1HB   GLU  20          1HB       GLU  20   4.967  -8.970  -8.970
  135   2HB   GLU  20          2HB       GLU  20   5.798  -9.593  -9.593
  136   1HG   GLU  20          1HG       GLU  20   3.968 -10.853 -10.853
  137   2HG   GLU  20          2HG       GLU  20   3.929 -11.679 -11.679
  138    HE2  GLU  20           HE2      GLU  20   1.241  -8.945  -8.945
  139    H    ALA  21           H        ALA  21   7.933  -8.905  -8.905
  140    HA   ALA  21           HA       ALA  21   9.869  -9.685  -9.685
  141   1HB   ALA  21          2HB       ALA  21   9.551  -7.286  -7.286
  142   2HB   ALA  21          3HB       ALA  21  10.100  -7.693  -7.693
  143   3HB   ALA  21          1HB       ALA  21  11.233  -7.781  -7.781
  144    H    PHE  22           H        PHE  22   9.362 -10.493 -10.493
  145    HA   PHE  22           HA       PHE  22  12.069 -11.762 -11.762
  146   1HB   PHE  22          1HB       PHE  22   9.759 -11.248 -11.248
  147   2HB   PHE  22          2HB       PHE  22   9.956 -12.978 -12.978
  148    HD1  PHE  22           HD1      PHE  22  12.043  -9.861  -9.861
  149    HD2  PHE  22           HD2      PHE  22  11.455 -13.981 -13.981
  150    HE1  PHE  22           HE1      PHE  22  13.699  -9.629  -9.629
  151    HE2  PHE  22           HE2      PHE  22  13.132 -13.747 -13.747
  152    HZ   PHE  22           HZ       PHE  22  14.262 -11.574 -11.574
  153    H    SER  23           H        SER  23   8.858 -12.683 -12.683
  154    HA   SER  23           HA       SER  23   9.698 -15.512 -15.512
  155   1HB   SER  23          1HB       SER  23   7.240 -13.841 -13.841
  156   2HB   SER  23          2HB       SER  23   7.483 -15.347 -15.347
  157    HG   SER  23           HG       SER  23   7.212 -16.473 -16.473
  158    H    ALA  24           H        ALA  24   9.734 -12.493 -12.493
  159    HA   ALA  24           HA       ALA  24  10.685 -13.888 -13.888
  160   1HB   ALA  24          2HB       ALA  24   9.290 -11.780 -11.780
  161   2HB   ALA  24          3HB       ALA  24  10.535 -10.879 -10.879
  162   3HB   ALA  24          1HB       ALA  24  10.876 -11.491 -11.491
  163    H    GLY  25           H        GLY  25  12.062 -12.558 -12.558
  164   1HA   GLY  25          1HA       GLY  25  14.856 -12.493 -12.493
  165   2HA   GLY  25          2HA       GLY  25  14.437 -12.223 -12.223
  166    H    VAL  26           H        VAL  26  12.907 -14.326 -14.326
  167    HA   VAL  26           HA       VAL  26  14.714 -16.559 -16.559
  168    HB   VAL  26           HB       VAL  26  11.656 -16.298 -16.298
  169   1HG1  VAL  26          1HG1      VAL  26  13.019 -19.019 -19.019
  170   2HG1  VAL  26          2HG1      VAL  26  11.305 -18.630 -18.630
  171   3HG1  VAL  26          3HG1      VAL  26  11.918 -18.668 -18.668
  172   1HG2  VAL  26          2HG2      VAL  26  12.863 -15.498 -15.498
  173   2HG2  VAL  26          3HG2      VAL  26  11.744 -16.820 -16.820
  174   3HG2  VAL  26          1HG2      VAL  26  13.496 -17.140 -17.140
  175    H    HIS  27           H        HIS  27  12.450 -15.899 -15.899
  176    HA   HIS  27           HA       HIS  27  13.099 -18.415 -18.415
  177   1HB   HIS  27          1HB       HIS  27  11.223 -16.215 -16.215
  178   2HB   HIS  27          2HB       HIS  27  12.294 -15.937 -15.937
  179    HD1  HIS  27           HD1      HIS  27  11.031 -16.907 -16.907
  180    HD2  HIS  27           HD2      HIS  27  10.926 -19.243 -19.243
  181    HE1  HIS  27           HE1      HIS  27   9.816 -19.063 -19.063
  182    HE2  HIS  27           HE2      HIS  27   9.679 -20.589 -20.589
  183    H    ARG  28           H        ARG  28  14.324 -15.136 -15.136
  184    HA   ARG  28           HA       ARG  28  16.146 -15.395 -15.395
  185   1HB   ARG  28          1HB       ARG  28  15.808 -13.225 -13.225
  186   2HB   ARG  28          2HB       ARG  28  16.321 -13.858 -13.858
  187   1HG   ARG  28          1HG       ARG  28  18.368 -12.856 -12.856
  188   2HG   ARG  28          2HG       ARG  28  18.647 -14.300 -14.300
  189   1HD   ARG  28          1HD       ARG  28  19.077 -12.248 -12.248
  190   2HD   ARG  28          2HD       ARG  28  17.688 -13.128 -13.128
  191    HE   ARG  28           HE       ARG  28  16.169 -11.462 -11.462
  192   1HH1  ARG  28          2HH1      ARG  28  19.441 -10.710 -10.710
  193   2HH1  ARG  28          1HH1      ARG  28  19.002  -8.980  -8.980
  194   1HH2  ARG  28          1HH2      ARG  28  15.768  -9.581  -9.581
  195   2HH2  ARG  28          2HH2      ARG  28  17.006  -8.361  -8.361
  196    H    LEU  29           H        LEU  29  16.521 -16.330 -16.330
  197    HA   LEU  29           HA       LEU  29  19.201 -17.571 -17.571
  198   1HB   LEU  29          1HB       LEU  29  17.539 -18.303 -18.303
  199   2HB   LEU  29          2HB       LEU  29  19.276 -18.114 -18.114
  200    HG   LEU  29           HG       LEU  29  17.139 -16.022 -16.022
  201   1HD1  LEU  29          3HD2      LEU  29  18.626 -17.002 -17.002
  202   2HD1  LEU  29          1HD2      LEU  29  20.025 -16.242 -16.242
  203   3HD1  LEU  29          2HD2      LEU  29  18.702 -15.227 -15.227
  204   1HD2  LEU  29          2HD1      LEU  29  18.327 -15.243 -15.243
  205   2HD2  LEU  29          3HD1      LEU  29  18.626 -14.159 -14.159
  206   3HD2  LEU  29          1HD1      LEU  29  19.876 -15.315 -15.315
  207    H    ALA  30           H        ALA  30  15.865 -18.552 -18.552
  208    HA   ALA  30           HA       ALA  30  16.765 -21.437 -21.437
  209   1HB   ALA  30          2HB       ALA  30  14.856 -20.941 -20.941
  210   2HB   ALA  30          3HB       ALA  30  13.940 -20.161 -20.161
  211   3HB   ALA  30          1HB       ALA  30  14.271 -21.910 -21.910
  212    H    ASN  31           H        ASN  31  17.268 -19.281 -19.281
  213    HA   ASN  31           HA       ASN  31  15.743 -19.555 -19.555
  214   1HB   ASN  31          2HB       ASN  31  18.207 -18.431 -18.431
  215   2HB   ASN  31          1HB       ASN  31  18.783 -19.858 -19.858
  216   1HD2  ASN  31          1HD2      ASN  31  18.311 -18.372 -18.372
  217   2HD2  ASN  31          2HD2      ASN  31  19.166 -19.633 -19.633
  218    H    GLY  32           H        GLY  32  17.791 -21.923 -21.923
  219   1HA   GLY  32          1HA       GLY  32  16.488 -24.224 -24.224
  220   2HA   GLY  32          2HA       GLY  32  17.665 -23.807 -23.807
  221    H    GLY  33           H        GLY  33  19.585 -22.662 -22.662
  222   1HA   GLY  33          1HA       GLY  33  21.077 -25.204 -25.204
  223   2HA   GLY  33          2HA       GLY  33  21.649 -23.573 -23.573
  224    H    ASN  34           H        ASN  34  21.702 -22.941 -22.941
  225    HA   ASN  34           HA       ASN  34  20.010 -23.709 -23.709
  226   1HB   ASN  34          1HB       ASN  34  21.895 -25.892 -25.892
  227   2HB   ASN  34          2HB       ASN  34  22.149 -25.450 -25.450
  228   1HD2  ASN  34          1HD2      ASN  34  19.266 -27.994 -27.994
  229   2HD2  ASN  34          2HD2      ASN  34  20.712 -27.651 -27.651
  230    H    GLY  35           H        GLY  35  20.389 -21.720 -21.720
  231   1HA   GLY  35          1HA       GLY  35  23.209 -21.111 -21.111
  232   2HA   GLY  35          2HA       GLY  35  22.179 -19.870 -19.870
  233    H    PHE  36           H        PHE  36  21.106 -22.485 -22.485
  234    HA   PHE  36           HA       PHE  36  20.406 -20.354 -20.354
  235   1HB   PHE  36          1HB       PHE  36  19.127 -23.065 -23.065
  236   2HB   PHE  36          2HB       PHE  36  18.899 -22.434 -22.434
  237    HD1  PHE  36           HD2      PHE  36  17.704 -20.146 -20.146
  238    HD2  PHE  36           HD1      PHE  36  17.864 -22.202 -22.202
  239    HE1  PHE  36           HE2      PHE  36  15.753 -18.863 -18.863
  240    HE2  PHE  36           HE1      PHE  36  15.914 -20.923 -20.923
  241    HZ   PHE  36           HZ       PHE  36  14.847 -19.257 -19.257
  242    H    TRP  37           H        TRP  37  21.453 -23.711 -23.711
  243    HA   TRP  37           HA       TRP  37  23.370 -23.377 -23.377
  244   1HB   TRP  37          1HB       TRP  37  22.261 -25.726 -25.726
  245   2HB   TRP  37          2HB       TRP  37  21.740 -24.168 -24.168
  246    HD1  TRP  37           HD1      TRP  37  20.548 -27.144 -27.144
  247    HE1  TRP  37           HE1      TRP  37  17.932 -27.014 -27.014
  248    HE3  TRP  37           HE3      TRP  37  19.904 -22.403 -22.403
  249    HZ2  TRP  37           HZ2      TRP  37  15.996 -24.974 -24.974
  250    HZ3  TRP  37           HZ3      TRP  37  17.636 -21.411 -21.411
  251    HH2  TRP  37           HH2      TRP  37  15.693 -22.712 -22.712
  252    HXT  TRP  37           HXT      TRP  37  24.486 -25.402 -25.402

  Start of MODEL   12
    1   1H    LYS   1          2H        LYS   1  17.181   2.667   2.667
    2   2H    LYS   1          3H        LYS   1  18.597   3.182   3.182
    3   3H    LYS   1          1H        LYS   1  18.380   3.427   3.427
    4    HA   LYS   1           HA       LYS   1  19.795   1.664   1.664
    5   1HB   LYS   1          1HB       LYS   1  19.431  -0.282  -0.282
    6   2HB   LYS   1          2HB       LYS   1  19.789   1.233   1.233
    7   1HG   LYS   1          1HG       LYS   1  16.862   1.035   1.035
    8   2HG   LYS   1          2HG       LYS   1  17.454  -0.502  -0.502
    9   1HD   LYS   1          1HD       LYS   1  18.162   2.246   2.246
   10   2HD   LYS   1          2HD       LYS   1  16.718   1.327   1.327
   11   1HE   LYS   1          1HE       LYS   1  19.437  -0.112  -0.112
   12   2HE   LYS   1          2HE       LYS   1  19.044   0.960   0.960
   13   1HZ   LYS   1          1HZ       LYS   1  16.884  -0.810  -0.810
   14   2HZ   LYS   1          2HZ       LYS   1  18.249  -1.584  -1.584
   15   3HZ   LYS   1          3HZ       LYS   1  17.467  -0.415  -0.415
   16    H    TYR   2           H        TYR   2  19.530   0.721   0.721
   17    HA   TYR   2           HA       TYR   2  16.768  -0.385  -0.385
   18   1HB   TYR   2          1HB       TYR   2  19.235  -0.509  -0.509
   19   2HB   TYR   2          2HB       TYR   2  17.561  -0.568  -0.568
   20    HD1  TYR   2           HD2      TYR   2  16.175   1.452   1.452
   21    HD2  TYR   2           HD1      TYR   2  20.314   1.726   1.726
   22    HE1  TYR   2           HE2      TYR   2  16.161   3.851   3.851
   23    HE2  TYR   2           HE1      TYR   2  20.289   4.136   4.136
   24    HH   TYR   2           HH       TYR   2  18.565   5.961   5.961
   25    H    TYR   3           H        TYR   3  19.832  -1.382  -1.382
   26    HA   TYR   3           HA       TYR   3  20.967  -3.528  -3.528
   27   1HB   TYR   3          2HB       TYR   3  18.414  -3.880  -3.880
   28   2HB   TYR   3          1HB       TYR   3  19.539  -5.203  -5.203
   29    HD1  TYR   3           HD2      TYR   3  21.871  -4.977  -4.977
   30    HD2  TYR   3           HD1      TYR   3  18.886  -1.944  -1.944
   31    HE1  TYR   3           HE2      TYR   3  23.202  -4.039  -4.039
   32    HE2  TYR   3           HE1      TYR   3  20.228  -1.017  -1.017
   33    HH   TYR   3           HH       TYR   3  22.744  -1.028  -1.028
   34    H    GLY   4           H        GLY   4  19.715  -3.188  -3.188
   35   1HA   GLY   4          2HA       GLY   4  19.796  -5.887  -5.887
   36   2HA   GLY   4          1HA       GLY   4  18.083  -5.596  -5.596
   37    H    ASN   5           H        ASN   5  16.983  -5.013  -5.013
   38    HA   ASN   5           HA       ASN   5  18.027  -2.706  -2.706
   39   1HB   ASN   5          1HB       ASN   5  17.919  -5.503  -5.503
   40   2HB   ASN   5          2HB       ASN   5  16.777  -4.558  -4.558
   41   1HD2  ASN   5          1HD2      ASN   5  19.606  -2.577  -2.577
   42   2HD2  ASN   5          2HD2      ASN   5  18.021  -2.195  -2.195
   43    H    GLY   6           H        GLY   6  15.379  -4.644  -4.644
   44   1HA   GLY   6          2HA       GLY   6  13.006  -4.201  -4.201
   45   2HA   GLY   6          1HA       GLY   6  13.314  -3.345  -3.345
   46    H    VAL   7           H        VAL   7  15.231  -2.009  -2.009
   47    HA   VAL   7           HA       VAL   7  13.244   0.332   0.332
   48    HB   VAL   7           HB       VAL   7  16.343   0.335   0.335
   49   1HG1  VAL   7          1HG1      VAL   7  14.509   2.836   2.836
   50   2HG1  VAL   7          2HG1      VAL   7  16.278   2.841   2.841
   51   3HG1  VAL   7          3HG1      VAL   7  15.591   2.355   2.355
   52   1HG2  VAL   7          2HG2      VAL   7  15.416  -0.112  -0.112
   53   2HG2  VAL   7          3HG2      VAL   7  16.273   1.431   1.431
   54   3HG2  VAL   7          1HG2      VAL   7  14.491   1.406   1.406
   55    H    HIS   8           H        HIS   8  12.691  -1.377  -1.377
   56    HA   HIS   8           HA       HIS   8  14.053  -0.414  -0.414
   57   1HB   HIS   8          1HB       HIS   8  13.372  -2.956  -2.956
   58   2HB   HIS   8          2HB       HIS   8  11.688  -2.438  -2.438
   59    HD1  HIS   8           HD1      HIS   8  14.036  -0.910  -0.910
   60    HD2  HIS   8           HD2      HIS   8  10.970  -3.837  -3.837
   61    HE1  HIS   8           HE1      HIS   8  13.165  -1.763  -1.763
   62    HE2  HIS   8           HE2      HIS   8  11.287  -3.566  -3.566
   63    H    CYS   9           H        CYS   9  13.077   1.554   1.554
   64    HA   CYS   9           HA       CYS   9  10.321   2.307   2.307
   65   1HB   CYS   9          1HB       CYS   9  12.840   4.111   4.111
   66   2HB   CYS   9          2HB       CYS   9  11.188   4.694   4.694
   67    H    THR  10           H        THR  10   9.213   3.342   3.342
   68    HA   THR  10           HA       THR  10  10.490   3.252   3.252
   69    HB   THR  10           HB       THR  10   8.358   2.636   2.636
   70    HG1  THR  10           HG1      THR  10   6.485   2.578   2.578
   71   1HG2  THR  10          3HG2      THR  10   8.469   1.047   1.047
   72   2HG2  THR  10          1HG2      THR  10   7.538   0.581   0.581
   73   3HG2  THR  10          2HG2      THR  10   9.299   0.585   0.585
   74    H    LYS  11           H        LYS  11   8.269   4.506   4.506
   75    HA   LYS  11           HA       LYS  11   8.914   7.345   7.345
   76   1HB   LYS  11          1HB       LYS  11   7.744   7.921   7.921
   77   2HB   LYS  11          2HB       LYS  11   9.238   7.006   7.006
   78   1HG   LYS  11          1HG       LYS  11   7.576   4.853   4.853
   79   2HG   LYS  11          2HG       LYS  11   6.347   6.039   6.039
   80   1HD   LYS  11          1HD       LYS  11   8.774   6.325   6.325
   81   2HD   LYS  11          2HD       LYS  11   8.202   4.645   4.645
   82   1HE   LYS  11          1HE       LYS  11   6.833   5.566   5.566
   83   2HE   LYS  11          2HE       LYS  11   5.753   5.717   5.717
   84   1HZ   LYS  11          1HZ       LYS  11   7.648   7.894   7.894
   85   2HZ   LYS  11          2HZ       LYS  11   6.178   7.764   7.764
   86   3HZ   LYS  11          3HZ       LYS  11   6.206   7.959   7.959
   87    H    SER  12           H        SER  12   7.256   5.789   5.789
   88    HA   SER  12           HA       SER  12   4.957   7.789   7.789
   89   1HB   SER  12          1HB       SER  12   4.399   5.270   5.270
   90   2HB   SER  12          2HB       SER  12   4.287   4.925   4.925
   91    HG   SER  12           HG       SER  12   2.853   6.935   6.935
   92    H    GLY  13           H        GLY  13   6.670   5.261   5.261
   93   1HA   GLY  13          1HA       GLY  13   7.278   7.171   7.171
   94   2HA   GLY  13          2HA       GLY  13   5.981   6.063   6.063
   95    H    CYS  14           H        CYS  14   6.727   4.588   4.588
   96    HA   CYS  14           HA       CYS  14   9.041   2.919   2.919
   97   1HB   CYS  14          1HB       CYS  14   8.837   4.151   4.151
   98   2HB   CYS  14          2HB       CYS  14   9.868   2.750   2.750
   99    H    SER  15           H        SER  15   7.119   2.969   2.969
  100    HA   SER  15           HA       SER  15   5.763   1.257   1.257
  101   1HB   SER  15          1HB       SER  15   4.354   0.044   0.044
  102   2HB   SER  15          2HB       SER  15   3.894   1.575   1.575
  103    HG   SER  15           HG       SER  15   4.538   1.106   1.106
  104    H    VAL  16           H        VAL  16   7.519   0.125   0.125
  105    HA   VAL  16           HA       VAL  16   8.384  -2.267  -2.267
  106    HB   VAL  16           HB       VAL  16   8.889  -1.712  -1.712
  107   1HG1  VAL  16          2HG2      VAL  16  10.527  -3.360  -3.360
  108   2HG1  VAL  16          3HG2      VAL  16  11.100  -2.944  -2.944
  109   3HG1  VAL  16          1HG2      VAL  16   9.662  -3.980  -3.980
  110   1HG2  VAL  16          1HG1      VAL  16   9.746   0.339   0.339
  111   2HG2  VAL  16          2HG1      VAL  16  11.103  -0.638  -0.638
  112   3HG2  VAL  16          3HG1      VAL  16  10.717  -0.672  -0.672
  113    H    ASN  17           H        ASN  17   7.780  -4.226  -4.226
  114    HA   ASN  17           HA       ASN  17   5.446  -4.895  -4.895
  115   1HB   ASN  17          1HB       ASN  17   5.990  -5.473  -5.473
  116   2HB   ASN  17          2HB       ASN  17   6.313  -7.000  -7.000
  117   1HD2  ASN  17          1HD2      ASN  17   2.658  -6.589  -6.589
  118   2HD2  ASN  17          2HD2      ASN  17   4.229  -6.259  -6.259
  119    H    TRP  18           H        TRP  18   5.817  -5.717  -5.717
  120    HA   TRP  18           HA       TRP  18   8.499  -7.058  -7.058
  121   1HB   TRP  18          2HB       TRP  18   6.179  -6.344  -6.344
  122   2HB   TRP  18          1HB       TRP  18   7.726  -6.981  -6.981
  123    HD1  TRP  18           HD1      TRP  18   6.096  -3.858  -3.858
  124    HE1  TRP  18           HE1      TRP  18   7.607  -1.684  -1.684
  125    HE3  TRP  18           HE3      TRP  18  10.125  -6.192  -6.192
  126    HZ2  TRP  18           HZ2      TRP  18  10.214  -1.248  -1.248
  127    HZ3  TRP  18           HZ3      TRP  18  12.081  -4.836  -4.836
  128    HH2  TRP  18           HH2      TRP  18  12.184  -2.425  -2.425
  129    H    GLY  19           H        GLY  19   5.078  -7.782  -7.782
  130   1HA   GLY  19          2HA       GLY  19   5.449 -10.626 -10.626
  131   2HA   GLY  19          1HA       GLY  19   3.988  -9.945  -9.945
  132    H    GLU  20           H        GLU  20   5.152  -8.856  -8.856
  133    HA   GLU  20           HA       GLU  20   5.430 -11.296 -11.296
  134   1HB   GLU  20          1HB       GLU  20   5.356  -8.297  -8.297
  135   2HB   GLU  20          2HB       GLU  20   6.308  -9.124  -9.124
  136   1HG   GLU  20          1HG       GLU  20   3.298  -9.573  -9.573
  137   2HG   GLU  20          2HG       GLU  20   3.963  -8.766  -8.766
  138    HE2  GLU  20           HE2      GLU  20   4.399 -11.634 -11.634
  139    H    ALA  21           H        ALA  21   7.619  -9.077  -9.077
  140    HA   ALA  21           HA       ALA  21   9.988 -10.097 -10.097
  141   1HB   ALA  21          2HB       ALA  21   9.911  -7.786  -7.786
  142   2HB   ALA  21          3HB       ALA  21   9.760  -8.487  -8.487
  143   3HB   ALA  21          1HB       ALA  21  11.258  -8.709  -8.709
  144    H    PHE  22           H        PHE  22   8.253 -10.990 -10.990
  145    HA   PHE  22           HA       PHE  22  10.339 -12.993 -12.993
  146   1HB   PHE  22          1HB       PHE  22   8.751 -12.192 -12.192
  147   2HB   PHE  22          2HB       PHE  22   7.366 -12.535 -12.535
  148    HD1  PHE  22           HD2      PHE  22   6.522 -14.903 -14.903
  149    HD2  PHE  22           HD1      PHE  22   9.874 -13.987 -13.987
  150    HE1  PHE  22           HE2      PHE  22   6.198 -17.025 -17.025
  151    HE2  PHE  22           HE1      PHE  22   9.524 -16.092 -16.092
  152    HZ   PHE  22           HZ       PHE  22   7.699 -17.626 -17.626
  153    H    SER  23           H        SER  23   7.479 -12.896 -12.896
  154    HA   SER  23           HA       SER  23   7.705 -15.805 -15.805
  155   1HB   SER  23          1HB       SER  23   5.509 -15.103 -15.103
  156   2HB   SER  23          2HB       SER  23   5.960 -13.493 -13.493
  157    HG   SER  23           HG       SER  23   6.455 -14.291 -14.291
  158    H    ALA  24           H        ALA  24   9.003 -12.791 -12.791
  159    HA   ALA  24           HA       ALA  24  10.273 -14.166 -14.166
  160   1HB   ALA  24          2HB       ALA  24   9.582 -11.734 -11.734
  161   2HB   ALA  24          3HB       ALA  24  10.692 -11.347 -11.347
  162   3HB   ALA  24          1HB       ALA  24  11.335 -11.871 -11.871
  163    H    GLY  25           H        GLY  25  11.014 -13.562 -13.562
  164   1HA   GLY  25          1HA       GLY  25  13.960 -14.206 -14.206
  165   2HA   GLY  25          2HA       GLY  25  13.124 -13.986 -13.986
  166    H    VAL  26           H        VAL  26  11.048 -15.584 -15.584
  167    HA   VAL  26           HA       VAL  26  12.007 -18.291 -18.291
  168    HB   VAL  26           HB       VAL  26   9.259 -17.125 -17.125
  169   1HG1  VAL  26          1HG1      VAL  26   9.663 -20.153 -20.153
  170   2HG1  VAL  26          2HG1      VAL  26   8.095 -19.311 -19.311
  171   3HG1  VAL  26          3HG1      VAL  26   9.090 -19.422 -19.422
  172   1HG2  VAL  26          2HG2      VAL  26  10.032 -16.828 -16.828
  173   2HG2  VAL  26          3HG2      VAL  26   8.558 -17.797 -17.797
  174   3HG2  VAL  26          1HG2      VAL  26  10.124 -18.594 -18.594
  175    H    HIS  27           H        HIS  27  10.878 -16.650 -16.650
  176    HA   HIS  27           HA       HIS  27  11.059 -19.054 -19.054
  177   1HB   HIS  27          1HB       HIS  27   9.761 -16.739 -16.739
  178   2HB   HIS  27          2HB       HIS  27  11.338 -16.006 -16.006
  179    HD1  HIS  27           HD1      HIS  27  12.383 -16.340 -16.340
  180    HD2  HIS  27           HD2      HIS  27   8.951 -18.688 -18.688
  181    HE1  HIS  27           HE1      HIS  27  11.489 -17.500 -17.500
  182    HE2  HIS  27           HE2      HIS  27   9.389 -18.974 -18.974
  183    H    ARG  28           H        ARG  28  13.234 -16.504 -16.504
  184    HA   ARG  28           HA       ARG  28  15.417 -17.140 -17.140
  185   1HB   ARG  28          1HB       ARG  28  15.094 -15.234 -15.234
  186   2HB   ARG  28          2HB       ARG  28  15.857 -16.393 -16.393
  187   1HG   ARG  28          1HG       ARG  28  17.981 -15.935 -15.935
  188   2HG   ARG  28          2HG       ARG  28  17.416 -16.077 -16.077
  189   1HD   ARG  28          1HD       ARG  28  16.224 -13.649 -13.649
  190   2HD   ARG  28          2HD       ARG  28  17.761 -13.641 -13.641
  191    HE   ARG  28           HE       ARG  28  18.882 -13.272 -13.272
  192   1HH1  ARG  28          2HH1      ARG  28  15.909 -14.887 -14.887
  193   2HH1  ARG  28          1HH1      ARG  28  16.246 -14.805 -14.805
  194   1HH2  ARG  28          1HH2      ARG  28  19.179 -13.222 -13.222
  195   2HH2  ARG  28          2HH2      ARG  28  18.021 -13.900 -13.900
  196    H    LEU  29           H        LEU  29  14.674 -18.365 -18.365
  197    HA   LEU  29           HA       LEU  29  16.794 -20.463 -20.463
  198   1HB   LEU  29          1HB       LEU  29  15.282 -21.428 -21.428
  199   2HB   LEU  29          2HB       LEU  29  16.484 -20.169 -20.169
  200    HG   LEU  29           HG       LEU  29  13.701 -19.156 -19.156
  201   1HD1  LEU  29          2HD1      LEU  29  13.182 -21.151 -21.151
  202   2HD1  LEU  29          3HD1      LEU  29  14.330 -20.592 -20.592
  203   3HD1  LEU  29          1HD1      LEU  29  12.867 -19.644 -19.644
  204   1HD2  LEU  29          2HD2      LEU  29  15.834 -18.427 -18.427
  205   2HD2  LEU  29          3HD2      LEU  29  15.487 -17.542 -17.542
  206   3HD2  LEU  29          1HD2      LEU  29  14.277 -17.581 -17.581
  207    H    ALA  30           H        ALA  30  13.399 -20.236 -20.236
  208    HA   ALA  30           HA       ALA  30  13.310 -23.262 -23.262
  209   1HB   ALA  30          2HB       ALA  30  11.455 -22.105 -22.105
  210   2HB   ALA  30          3HB       ALA  30  11.083 -21.093 -21.093
  211   3HB   ALA  30          1HB       ALA  30  10.803 -22.850 -22.850
  212    H    ASN  31           H        ASN  31  14.725 -21.279 -21.279
  213    HA   ASN  31           HA       ASN  31  13.466 -21.303 -21.303
  214   1HB   ASN  31          1HB       ASN  31  15.605 -20.221 -20.221
  215   2HB   ASN  31          2HB       ASN  31  16.380 -21.531 -21.531
  216   1HD2  ASN  31          1HD2      ASN  31  16.637 -21.413 -21.413
  217   2HD2  ASN  31          2HD2      ASN  31  15.540 -20.222 -20.222
  218    H    GLY  32           H        GLY  32  14.969 -23.909 -23.909
  219   1HA   GLY  32          1HA       GLY  32  14.734 -25.779 -25.779
  220   2HA   GLY  32          2HA       GLY  32  15.418 -26.184 -26.184
  221    H    GLY  33           H        GLY  33  13.738 -25.921 -25.921
  222   1HA   GLY  33          1HA       GLY  33  11.549 -26.491 -26.491
  223   2HA   GLY  33          2HA       GLY  33  10.903 -26.560 -26.560
  224    H    ASN  34           H        ASN  34  13.214 -28.236 -28.236
  225    HA   ASN  34           HA       ASN  34  12.344 -30.852 -30.852
  226   1HB   ASN  34          1HB       ASN  34  14.918 -29.817 -29.817
  227   2HB   ASN  34          2HB       ASN  34  14.565 -31.479 -31.479
  228   1HD2  ASN  34          1HD2      ASN  34  15.385 -32.590 -32.590
  229   2HD2  ASN  34          2HD2      ASN  34  14.408 -33.023 -33.023
  230    H    GLY  35           H        GLY  35  10.720 -29.480 -29.480
  231   1HA   GLY  35          1HA       GLY  35   9.225 -30.524 -30.524
  232   2HA   GLY  35          2HA       GLY  35  10.465 -31.738 -31.738
  233    H    PHE  36           H        PHE  36   9.461 -28.400 -28.400
  234    HA   PHE  36           HA       PHE  36  11.440 -28.073 -28.073
  235   1HB   PHE  36          1HB       PHE  36  10.785 -26.244 -26.244
  236   2HB   PHE  36          2HB       PHE  36   9.396 -25.951 -25.951
  237    HD1  PHE  36           HD1      PHE  36   9.728 -25.150 -25.150
  238    HD2  PHE  36           HD2      PHE  36  12.943 -25.267 -25.267
  239    HE1  PHE  36           HE1      PHE  36  10.973 -23.503 -23.503
  240    HE2  PHE  36           HE2      PHE  36  14.188 -23.622 -23.622
  241    HZ   PHE  36           HZ       PHE  36  13.207 -22.737 -22.737
  242    H    TRP  37           H        TRP  37   7.993 -27.996 -27.996
  243    HA   TRP  37           HA       TRP  37   7.301 -27.799 -27.799
  244   1HB   TRP  37          1HB       TRP  37   4.884 -28.288 -28.288
  245   2HB   TRP  37          2HB       TRP  37   5.630 -26.734 -26.734
  246    HD1  TRP  37           HD1      TRP  37   5.136 -30.181 -30.181
  247    HE1  TRP  37           HE1      TRP  37   5.034 -29.829 -29.829
  248    HE3  TRP  37           HE3      TRP  37   6.183 -25.196 -25.196
  249    HZ2  TRP  37           HZ2      TRP  37   5.460 -27.563 -27.563
  250    HZ3  TRP  37           HZ3      TRP  37   6.405 -23.990 -23.990
  251    HH2  TRP  37           HH2      TRP  37   5.939 -25.127 -25.127
  252    HXT  TRP  37           HXT      TRP  37   7.804 -31.358 -31.358

  Start of MODEL   13
    1   1H    LYS   1          2H        LYS   1  19.760   2.265   2.265
    2   2H    LYS   1          3H        LYS   1  19.685   0.686   0.686
    3   3H    LYS   1          1H        LYS   1  21.107   1.569   1.569
    4    HA   LYS   1           HA       LYS   1  21.660   1.436   1.436
    5   1HB   LYS   1          1HB       LYS   1  20.094  -1.197  -1.197
    6   2HB   LYS   1          2HB       LYS   1  21.699  -0.928  -0.928
    7   1HG   LYS   1          1HG       LYS   1  21.103  -0.585  -0.585
    8   2HG   LYS   1          2HG       LYS   1  21.514  -2.149  -2.149
    9   1HD   LYS   1          1HD       LYS   1  23.745  -1.267  -1.267
   10   2HD   LYS   1          2HD       LYS   1  23.275   0.383   0.383
   11   1HE   LYS   1          1HE       LYS   1  23.523  -2.040  -2.040
   12   2HE   LYS   1          2HE       LYS   1  24.576  -0.616  -0.616
   13   1HZ   LYS   1          3HZ       LYS   1  22.290   0.628   0.628
   14   2HZ   LYS   1          1HZ       LYS   1  21.806  -0.840  -0.840
   15   3HZ   LYS   1          2HZ       LYS   1  23.106  -0.004  -0.004
   16    H    TYR   2           H        TYR   2  21.235   1.176   1.176
   17    HA   TYR   2           HA       TYR   2  18.257   1.322   1.322
   18   1HB   TYR   2          1HB       TYR   2  19.071   2.750   2.750
   19   2HB   TYR   2          2HB       TYR   2  18.999   3.567   3.567
   20    HD1  TYR   2           HD2      TYR   2  21.128   3.952   3.952
   21    HD2  TYR   2           HD1      TYR   2  21.208   2.606   2.606
   22    HE1  TYR   2           HE2      TYR   2  23.469   4.670   4.670
   23    HE2  TYR   2           HE1      TYR   2  23.559   3.337   3.337
   24    HH   TYR   2           HH       TYR   2  25.505   3.685   3.685
   25    H    TYR   3           H        TYR   3  19.751  -0.998  -0.998
   26    HA   TYR   3           HA       TYR   3  20.720  -1.665  -1.665
   27   1HB   TYR   3          1HB       TYR   3  21.266  -2.554  -2.554
   28   2HB   TYR   3          2HB       TYR   3  20.878  -3.928  -3.928
   29    HD1  TYR   3           HD1      TYR   3  23.053  -0.827  -0.827
   30    HD2  TYR   3           HD2      TYR   3  22.704  -5.028  -5.028
   31    HE1  TYR   3           HE1      TYR   3  25.432  -0.903  -0.903
   32    HE2  TYR   3           HE2      TYR   3  25.071  -5.089  -5.089
   33    HH   TYR   3           HH       TYR   3  26.968  -2.189  -2.189
   34    H    GLY   4           H        GLY   4  17.861  -1.286  -1.286
   35   1HA   GLY   4          2HA       GLY   4  15.779  -2.487  -2.487
   36   2HA   GLY   4          1HA       GLY   4  16.654  -3.471  -3.471
   37    H    ASN   5           H        ASN   5  16.863  -3.035  -3.035
   38    HA   ASN   5           HA       ASN   5  16.283  -6.029  -6.029
   39   1HB   ASN   5          1HB       ASN   5  18.341  -6.509  -6.509
   40   2HB   ASN   5          2HB       ASN   5  18.901  -5.078  -5.078
   41   1HD2  ASN   5          1HD2      ASN   5  18.547  -4.953  -4.953
   42   2HD2  ASN   5          2HD2      ASN   5  17.430  -6.074  -6.074
   43    H    GLY   6           H        GLY   6  16.846  -2.978  -2.978
   44   1HA   GLY   6          2HA       GLY   6  14.858  -3.982  -3.982
   45   2HA   GLY   6          1HA       GLY   6  16.175  -2.836  -2.836
   46    H    VAL   7           H        VAL   7  16.118  -0.948  -0.948
   47    HA   VAL   7           HA       VAL   7  13.892   0.672   0.672
   48    HB   VAL   7           HB       VAL   7  16.164   0.944   0.944
   49   1HG1  VAL   7          1HG1      VAL   7  13.746   2.799   2.799
   50   2HG1  VAL   7          2HG1      VAL   7  15.399   3.023   3.023
   51   3HG1  VAL   7          3HG1      VAL   7  14.462   1.630   1.630
   52   1HG2  VAL   7          2HG2      VAL   7  16.180   2.040   2.040
   53   2HG2  VAL   7          3HG2      VAL   7  16.440   3.208   3.208
   54   3HG2  VAL   7          1HG2      VAL   7  14.850   3.111   3.111
   55    H    HIS   8           H        HIS   8  14.462  -0.176  -0.176
   56    HA   HIS   8           HA       HIS   8  12.889  -0.689  -0.689
   57   1HB   HIS   8          2HB       HIS   8  12.394  -2.366  -2.366
   58   2HB   HIS   8          1HB       HIS   8  10.795  -1.650  -1.650
   59    HD1  HIS   8           HD1      HIS   8  12.194  -4.770  -4.770
   60    HD2  HIS   8           HD2      HIS   8  10.465  -1.471  -1.471
   61    HE1  HIS   8           HE1      HIS   8  11.346  -5.599  -5.599
   62    HE2  HIS   8           HE2      HIS   8  10.248  -3.685  -3.685
   63    H    CYS   9           H        CYS   9  12.889   1.765   1.765
   64    HA   CYS   9           HA       CYS   9   9.949   2.588   2.588
   65   1HB   CYS   9          1HB       CYS   9  12.468   4.375   4.375
   66   2HB   CYS   9          2HB       CYS   9  10.829   4.940   4.940
   67    H    THR  10           H        THR  10   8.748   3.017   3.017
   68    HA   THR  10           HA       THR  10  10.109   2.912   2.912
   69    HB   THR  10           HB       THR  10   7.165   2.184   2.184
   70    HG1  THR  10           HG1      THR  10   7.854   0.050   0.050
   71   1HG2  THR  10          3HG2      THR  10   9.170   1.111   1.111
   72   2HG2  THR  10          1HG2      THR  10   7.473   0.598   0.598
   73   3HG2  THR  10          2HG2      THR  10   7.840   2.247   2.247
   74    H    LYS  11           H        LYS  11  10.361   5.207   5.207
   75    HA   LYS  11           HA       LYS  11   9.723   7.478   7.478
   76   1HB   LYS  11          1HB       LYS  11   8.884   7.866   7.866
   77   2HB   LYS  11          2HB       LYS  11  10.295   6.823   6.823
   78   1HG   LYS  11          1HG       LYS  11   7.680   5.305   5.305
   79   2HG   LYS  11          2HG       LYS  11   7.885   6.249   6.249
   80   1HD   LYS  11          1HD       LYS  11  10.291   5.041   5.041
   81   2HD   LYS  11          2HD       LYS  11   9.545   3.922   3.922
   82   1HE   LYS  11          1HE       LYS  11   7.803   3.241   3.241
   83   2HE   LYS  11          2HE       LYS  11   8.025   4.653   4.653
   84   1HZ   LYS  11          1HZ       LYS  11  10.296   2.818   2.818
   85   2HZ   LYS  11          2HZ       LYS  11   9.063   2.395   2.395
   86   3HZ   LYS  11          3HZ       LYS  11   9.940   3.808   3.808
   87    H    SER  12           H        SER  12   8.157   6.713   6.713
   88    HA   SER  12           HA       SER  12   5.922   8.504   8.504
   89   1HB   SER  12          1HB       SER  12   5.104   6.727   6.727
   90   2HB   SER  12          2HB       SER  12   4.909   5.602   5.602
   91    HG   SER  12           HG       SER  12   3.677   7.705   7.705
   92    H    GLY  13           H        GLY  13   6.391   5.206   5.206
   93   1HA   GLY  13          2HA       GLY  13   6.493   6.443   6.443
   94   2HA   GLY  13          1HA       GLY  13   5.398   5.077   5.077
   95    H    CYS  14           H        CYS  14   6.471   3.885   3.885
   96    HA   CYS  14           HA       CYS  14   9.054   2.657   2.657
   97   1HB   CYS  14          1HB       CYS  14   8.750   4.152   4.152
   98   2HB   CYS  14          2HB       CYS  14  10.004   2.924   2.924
   99    H    SER  15           H        SER  15   6.822   2.738   2.738
  100    HA   SER  15           HA       SER  15   5.447   0.984   0.984
  101   1HB   SER  15          1HB       SER  15   4.637  -0.569  -0.569
  102   2HB   SER  15          2HB       SER  15   5.552   0.321   0.321
  103    HG   SER  15           HG       SER  15   6.321  -1.655  -1.655
  104    H    VAL  16           H        VAL  16   8.548   1.248   1.248
  105    HA   VAL  16           HA       VAL  16   9.032  -1.488  -1.488
  106    HB   VAL  16           HB       VAL  16  11.072  -0.692  -0.692
  107   1HG1  VAL  16          1HG1      VAL  16  10.494   2.232   2.232
  108   2HG1  VAL  16          2HG1      VAL  16  11.976   1.657   1.657
  109   3HG1  VAL  16          3HG1      VAL  16  10.447   1.595   1.595
  110   1HG2  VAL  16          2HG2      VAL  16  11.475  -1.098  -1.098
  111   2HG2  VAL  16          3HG2      VAL  16  12.591   0.098   0.098
  112   3HG2  VAL  16          1HG2      VAL  16  11.215   0.631   0.631
  113    H    ASN  17           H        ASN  17   7.519  -1.739  -1.739
  114    HA   ASN  17           HA       ASN  17   7.282   0.254   0.254
  115   1HB   ASN  17          2HB       ASN  17   5.743  -2.017  -2.017
  116   2HB   ASN  17          1HB       ASN  17   6.262  -2.468  -2.468
  117   1HD2  ASN  17          1HD2      ASN  17   3.025  -0.745  -0.745
  118   2HD2  ASN  17          2HD2      ASN  17   3.621  -2.221  -2.221
  119    H    TRP  18           H        TRP  18   7.982   0.142   0.142
  120    HA   TRP  18           HA       TRP  18  10.543  -1.429  -1.429
  121   1HB   TRP  18          2HB       TRP  18   9.077   0.496   0.496
  122   2HB   TRP  18          1HB       TRP  18  10.693  -0.126  -0.126
  123    HD1  TRP  18           HD1      TRP  18   9.238   2.989   2.989
  124    HE1  TRP  18           HE1      TRP  18  10.618   4.511   4.511
  125    HE3  TRP  18           HE3      TRP  18  12.340  -0.689  -0.689
  126    HZ2  TRP  18           HZ2      TRP  18  12.770   3.962   3.962
  127    HZ3  TRP  18           HZ3      TRP  18  13.857  -0.200  -0.200
  128    HH2  TRP  18           HH2      TRP  18  14.096   2.098   2.098
  129    H    GLY  19           H        GLY  19   7.308  -1.339  -1.339
  130   1HA   GLY  19          2HA       GLY  19   7.807  -3.543  -3.543
  131   2HA   GLY  19          1HA       GLY  19   6.216  -3.001  -3.001
  132    H    GLU  20           H        GLU  20   6.383  -3.294  -3.294
  133    HA   GLU  20           HA       GLU  20   6.150  -6.227  -6.227
  134   1HB   GLU  20          1HB       GLU  20   6.012  -3.720  -3.720
  135   2HB   GLU  20          2HB       GLU  20   6.284  -5.230  -5.230
  136   1HG   GLU  20          1HG       GLU  20   3.820  -4.448  -4.448
  137   2HG   GLU  20          2HG       GLU  20   4.095  -6.113  -6.113
  138    HE2  GLU  20           HE2      GLU  20   2.268  -5.669  -5.669
  139    H    ALA  21           H        ALA  21   8.797  -4.011  -4.011
  140    HA   ALA  21           HA       ALA  21  10.498  -5.808  -5.808
  141   1HB   ALA  21          2HB       ALA  21  10.947  -3.331  -3.331
  142   2HB   ALA  21          3HB       ALA  21  11.231  -3.541  -3.541
  143   3HB   ALA  21          1HB       ALA  21  12.349  -4.261  -4.261
  144    H    PHE  22           H        PHE  22   9.682  -5.537  -5.537
  145    HA   PHE  22           HA       PHE  22  11.660  -7.678  -7.678
  146   1HB   PHE  22          1HB       PHE  22  10.273  -5.794  -5.794
  147   2HB   PHE  22          2HB       PHE  22   9.128  -7.098  -7.098
  148    HD1  PHE  22           HD2      PHE  22  10.246  -9.489  -9.489
  149    HD2  PHE  22           HD1      PHE  22  11.974  -5.616  -5.616
  150    HE1  PHE  22           HE2      PHE  22  11.495 -10.382 -10.382
  151    HE2  PHE  22           HE1      PHE  22  13.198  -6.508  -6.508
  152    HZ   PHE  22           HZ       PHE  22  12.985  -8.898  -8.898
  153    H    SER  23           H        SER  23   8.333  -7.439  -7.439
  154    HA   SER  23           HA       SER  23   7.897 -10.378 -10.378
  155   1HB   SER  23          1HB       SER  23   6.165  -8.273  -8.273
  156   2HB   SER  23          2HB       SER  23   6.281  -8.777  -8.777
  157    HG   SER  23           HG       SER  23   4.702  -9.787  -9.787
  158    H    ALA  24           H        ALA  24   9.259  -8.215  -8.215
  159    HA   ALA  24           HA       ALA  24   9.547 -10.431 -10.431
  160   1HB   ALA  24          2HB       ALA  24   9.247  -8.017  -8.017
  161   2HB   ALA  24          3HB       ALA  24  10.746  -7.564  -7.564
  162   3HB   ALA  24          1HB       ALA  24  10.809  -8.625  -8.625
  163    H    GLY  25           H        GLY  25  11.372  -9.018  -9.018
  164   1HA   GLY  25          1HA       GLY  25  13.932 -10.447 -10.447
  165   2HA   GLY  25          2HA       GLY  25  13.588  -9.650  -9.650
  166    H    VAL  26           H        VAL  26  11.228 -10.721 -10.721
  167    HA   VAL  26           HA       VAL  26  11.804 -13.405 -13.405
  168    HB   VAL  26           HB       VAL  26   9.244 -11.770 -11.770
  169   1HG1  VAL  26          1HG1      VAL  26   9.122 -14.651 -14.651
  170   2HG1  VAL  26          2HG1      VAL  26   7.799 -13.458 -13.458
  171   3HG1  VAL  26          3HG1      VAL  26   8.350 -14.081 -14.081
  172   1HG2  VAL  26          2HG2      VAL  26  10.645 -11.259 -11.259
  173   2HG2  VAL  26          3HG2      VAL  26   9.022 -11.814 -11.814
  174   3HG2  VAL  26          1HG2      VAL  26  10.408 -12.925 -12.925
  175    H    HIS  27           H        HIS  27  10.244 -12.245 -12.245
  176    HA   HIS  27           HA       HIS  27   9.445 -14.979 -14.979
  177   1HB   HIS  27          1HB       HIS  27   8.475 -12.469 -12.469
  178   2HB   HIS  27          2HB       HIS  27   9.788 -12.423 -12.423
  179    HD1  HIS  27           HD1      HIS  27   9.676 -14.710 -14.710
  180    HD2  HIS  27           HD2      HIS  27   6.314 -13.397 -13.397
  181    HE1  HIS  27           HE1      HIS  27   7.558 -15.571 -15.571
  182    HE2  HIS  27           HE2      HIS  27   5.423 -14.839 -14.839
  183    H    ARG  28           H        ARG  28  12.319 -13.107 -13.107
  184    HA   ARG  28           HA       ARG  28  13.368 -14.846 -14.846
  185   1HB   ARG  28          1HB       ARG  28  14.086 -12.386 -12.386
  186   2HB   ARG  28          2HB       ARG  28  14.919 -13.004 -13.004
  187   1HG   ARG  28          1HG       ARG  28  15.706 -14.445 -14.445
  188   2HG   ARG  28          2HG       ARG  28  15.999 -12.710 -12.710
  189   1HD   ARG  28          1HD       ARG  28  16.971 -14.539 -14.539
  190   2HD   ARG  28          2HD       ARG  28  17.958 -14.089 -14.089
  191    HE   ARG  28           HE       ARG  28  17.029 -11.609 -11.609
  192   1HH1  ARG  28          2HH1      ARG  28  18.726 -14.201 -14.201
  193   2HH1  ARG  28          1HH1      ARG  28  19.545 -13.052 -13.052
  194   1HH2  ARG  28          1HH2      ARG  28  17.956 -10.428 -10.428
  195   2HH2  ARG  28          2HH2      ARG  28  19.130 -11.000 -11.000
  196    H    LEU  29           H        LEU  29  14.259 -14.387 -14.387
  197    HA   LEU  29           HA       LEU  29  15.822 -16.824 -16.824
  198   1HB   LEU  29          1HB       LEU  29  13.984 -15.877 -15.877
  199   2HB   LEU  29          2HB       LEU  29  15.545 -16.664 -16.664
  200    HG   LEU  29           HG       LEU  29  14.868 -13.773 -13.773
  201   1HD1  LEU  29          2HD1      LEU  29  15.917 -14.809 -14.809
  202   2HD1  LEU  29          3HD1      LEU  29  17.348 -15.279 -15.279
  203   3HD1  LEU  29          1HD1      LEU  29  16.969 -13.559 -13.559
  204   1HD2  LEU  29          2HD2      LEU  29  17.311 -14.858 -14.858
  205   2HD2  LEU  29          3HD2      LEU  29  15.923 -13.963 -13.963
  206   3HD2  LEU  29          1HD2      LEU  29  17.047 -13.144 -13.144
  207    H    ALA  30           H        ALA  30  12.371 -16.286 -16.286
  208    HA   ALA  30           HA       ALA  30  11.848 -19.216 -19.216
  209   1HB   ALA  30          2HB       ALA  30  10.331 -17.435 -17.435
  210   2HB   ALA  30          3HB       ALA  30   9.955 -16.846 -16.846
  211   3HB   ALA  30          1HB       ALA  30   9.423 -18.465 -18.465
  212    H    ASN  31           H        ASN  31  12.148 -17.010 -17.010
  213    HA   ASN  31           HA       ASN  31  11.614 -17.324 -17.324
  214   1HB   ASN  31          1HB       ASN  31  13.607 -18.637 -18.637
  215   2HB   ASN  31          2HB       ASN  31  12.957 -19.857 -19.857
  216   1HD2  ASN  31          1HD2      ASN  31  12.917 -20.506 -20.506
  217   2HD2  ASN  31          2HD2      ASN  31  13.562 -18.924 -18.924
  218    H    GLY  32           H        GLY  32   9.509 -17.920 -17.920
  219   1HA   GLY  32          1HA       GLY  32   7.293 -18.667 -18.667
  220   2HA   GLY  32          2HA       GLY  32   7.984 -20.251 -20.251
  221    H    GLY  33           H        GLY  33   6.347 -17.425 -17.425
  222   1HA   GLY  33          1HA       GLY  33   6.470 -17.658 -17.658
  223   2HA   GLY  33          2HA       GLY  33   5.043 -17.058 -17.058
  224    H    ASN  34           H        ASN  34   4.195 -19.179 -19.179
  225    HA   ASN  34           HA       ASN  34   3.159 -21.320 -21.320
  226   1HB   ASN  34          1HB       ASN  34   5.529 -21.793 -21.793
  227   2HB   ASN  34          2HB       ASN  34   4.560 -21.870 -21.870
  228   1HD2  ASN  34          1HD2      ASN  34   3.494 -25.164 -25.164
  229   2HD2  ASN  34          2HD2      ASN  34   3.597 -23.793 -23.793
  230    H    GLY  35           H        GLY  35   2.065 -18.941 -18.941
  231   1HA   GLY  35          1HA       GLY  35  -0.496 -19.637 -19.637
  232   2HA   GLY  35          2HA       GLY  35   0.253 -20.150 -20.150
  233    H    PHE  36           H        PHE  36   0.074 -17.391 -17.391
  234    HA   PHE  36           HA       PHE  36  -0.376 -15.637 -15.637
  235   1HB   PHE  36          1HB       PHE  36   1.568 -15.080 -15.080
  236   2HB   PHE  36          2HB       PHE  36   0.950 -13.786 -13.786
  237    HD1  PHE  36           HD1      PHE  36   2.072 -17.210 -17.210
  238    HD2  PHE  36           HD2      PHE  36   2.830 -12.981 -12.981
  239    HE1  PHE  36           HE1      PHE  36   3.855 -17.557 -17.557
  240    HE2  PHE  36           HE2      PHE  36   4.626 -13.338 -13.338
  241    HZ   PHE  36           HZ       PHE  36   5.145 -15.626 -15.626
  242    H    TRP  37           H        TRP  37  -0.419 -15.871 -15.871
  243    HA   TRP  37           HA       TRP  37  -2.983 -14.179 -14.179
  244   1HB   TRP  37          2HB       TRP  37  -2.031 -13.778 -13.778
  245   2HB   TRP  37          1HB       TRP  37  -1.726 -12.667 -12.667
  246    HD1  TRP  37           HD1      TRP  37   0.030 -15.172 -15.172
  247    HE1  TRP  37           HE1      TRP  37   2.670 -15.122 -15.122
  248    HE3  TRP  37           HE3      TRP  37   0.053 -12.273 -12.273
  249    HZ2  TRP  37           HZ2      TRP  37   4.369 -13.865 -13.865
  250    HZ3  TRP  37           HZ3      TRP  37   2.219 -11.676 -11.676
  251    HH2  TRP  37           HH2      TRP  37   4.339 -12.557 -12.557
  252    HXT  TRP  37           HXT      TRP  37  -3.436 -17.516 -17.516

  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  21.588  -9.486  -9.486
    2   2H    LYS   1          2H        LYS   1  22.702  -9.683  -9.683
    3   3H    LYS   1          3H        LYS   1  21.631  -8.387  -8.387
    4    HA   LYS   1           HA       LYS   1  20.612  -9.722  -9.722
    5   1HB   LYS   1          1HB       LYS   1  20.526 -12.349 -12.349
    6   2HB   LYS   1          2HB       LYS   1  21.871 -11.683 -11.683
    7   1HG   LYS   1          1HG       LYS   1  23.272 -11.491 -11.491
    8   2HG   LYS   1          2HG       LYS   1  21.891 -11.789 -11.789
    9   1HD   LYS   1          1HD       LYS   1  22.107 -14.073 -14.073
   10   2HD   LYS   1          2HD       LYS   1  23.767 -13.651 -13.651
   11   1HE   LYS   1          1HE       LYS   1  23.370 -13.947 -13.947
   12   2HE   LYS   1          2HE       LYS   1  21.631 -13.647 -13.647
   13   1HZ   LYS   1          3HZ       LYS   1  22.828 -15.976 -15.976
   14   2HZ   LYS   1          1HZ       LYS   1  22.449 -16.042 -16.042
   15   3HZ   LYS   1          2HZ       LYS   1  21.242 -15.738 -15.738
   16    H    TYR   2           H        TYR   2  18.760  -8.871  -8.871
   17    HA   TYR   2           HA       TYR   2  17.068 -10.280 -10.280
   18   1HB   TYR   2          1HB       TYR   2  15.649  -7.946  -7.946
   19   2HB   TYR   2          2HB       TYR   2  16.857  -8.117  -8.117
   20    HD1  TYR   2           HD2      TYR   2  19.151  -7.133  -7.133
   21    HD2  TYR   2           HD1      TYR   2  16.032  -6.374  -6.374
   22    HE1  TYR   2           HE2      TYR   2  20.385  -5.178  -5.178
   23    HE2  TYR   2           HE1      TYR   2  17.279  -4.408  -4.408
   24    HH   TYR   2           HH       TYR   2  20.058  -3.826  -3.826
   25    H    TYR   3           H        TYR   3  17.603 -10.072 -10.072
   26    HA   TYR   3           HA       TYR   3  16.133  -9.955  -9.955
   27   1HB   TYR   3          1HB       TYR   3  14.682 -12.223 -12.223
   28   2HB   TYR   3          2HB       TYR   3  16.404 -12.255 -12.255
   29    HD1  TYR   3           HD1      TYR   3  17.057 -11.687 -11.687
   30    HD2  TYR   3           HD2      TYR   3  14.593 -14.466 -14.466
   31    HE1  TYR   3           HE1      TYR   3  17.425 -13.391 -13.391
   32    HE2  TYR   3           HE2      TYR   3  14.972 -16.159 -16.159
   33    HH   TYR   3           HH       TYR   3  17.360 -16.153 -16.153
   34    H    GLY   4           H        GLY   4  15.111  -8.100  -8.100
   35   1HA   GLY   4          1HA       GLY   4  13.056  -6.821  -6.821
   36   2HA   GLY   4          2HA       GLY   4  12.258  -8.256  -8.256
   37    H    ASN   5           H        ASN   5  11.852  -6.126  -6.126
   38    HA   ASN   5           HA       ASN   5  10.197  -8.044  -8.044
   39   1HB   ASN   5          1HB       ASN   5  12.495  -7.965  -7.965
   40   2HB   ASN   5          2HB       ASN   5  12.315  -6.239  -6.239
   41   1HD2  ASN   5          1HD2      ASN   5   9.832  -8.548  -8.548
   42   2HD2  ASN   5          2HD2      ASN   5   9.994  -8.943  -8.943
   43    H    GLY   6           H        GLY   6  11.484  -4.756  -4.756
   44   1HA   GLY   6          1HA       GLY   6   9.353  -3.202  -3.202
   45   2HA   GLY   6          2HA       GLY   6   8.683  -3.737  -3.737
   46    H    VAL   7           H        VAL   7  11.967  -2.873  -2.873
   47    HA   VAL   7           HA       VAL   7  11.777  -0.337  -0.337
   48    HB   VAL   7           HB       VAL   7  14.204  -2.182  -2.182
   49   1HG1  VAL   7          1HG1      VAL   7  13.076   0.000   0.000
   50   2HG1  VAL   7          2HG1      VAL   7  14.493  -1.030  -1.030
   51   3HG1  VAL   7          3HG1      VAL   7  14.550   0.128   0.128
   52   1HG2  VAL   7          2HG2      VAL   7  12.215  -3.555  -3.555
   53   2HG2  VAL   7          3HG2      VAL   7  13.281  -3.124  -3.124
   54   3HG2  VAL   7          1HG2      VAL   7  11.741  -2.253  -2.253
   55    H    HIS   8           H        HIS   8  11.604  -0.073  -0.073
   56    HA   HIS   8           HA       HIS   8  14.255   1.079   1.079
   57   1HB   HIS   8          2HB       HIS   8  14.517  -0.304  -0.304
   58   2HB   HIS   8          1HB       HIS   8  14.115  -1.479  -1.479
   59    HD1  HIS   8           HD1      HIS   8  13.489  -1.557  -1.557
   60    HD2  HIS   8           HD2      HIS   8  10.949  -1.003  -1.003
   61    HE1  HIS   8           HE1      HIS   8  11.144  -2.248  -2.248
   62    HE2  HIS   8           HE2      HIS   8   9.486  -1.962  -1.962
   63    H    CYS   9           H        CYS   9  13.024   2.795   2.795
   64    HA   CYS   9           HA       CYS   9  10.637   3.735   3.735
   65   1HB   CYS   9          1HB       CYS   9  13.173   5.033   5.033
   66   2HB   CYS   9          2HB       CYS   9  12.164   6.084   6.084
   67    H    THR  10           H        THR  10  10.030   3.365   3.365
   68    HA   THR  10           HA       THR  10  11.871   4.353   4.353
   69    HB   THR  10           HB       THR  10  11.301   1.667   1.667
   70    HG1  THR  10           HG1      THR  10  12.004   1.373   1.373
   71   1HG2  THR  10          3HG2      THR  10   9.358   2.496   2.496
   72   2HG2  THR  10          1HG2      THR  10   9.827   0.826   0.826
   73   3HG2  THR  10          2HG2      THR  10   8.872   1.767   1.767
   74    H    LYS  11           H        LYS  11   8.574   3.661   3.661
   75    HA   LYS  11           HA       LYS  11   7.545   5.272   5.272
   76   1HB   LYS  11          1HB       LYS  11   5.886   3.582   3.582
   77   2HB   LYS  11          2HB       LYS  11   5.409   4.159   4.159
   78   1HG   LYS  11          1HG       LYS  11   7.881   2.355   2.355
   79   2HG   LYS  11          2HG       LYS  11   6.318   1.603   1.603
   80   1HD   LYS  11          1HD       LYS  11   6.539   3.364   3.364
   81   2HD   LYS  11          2HD       LYS  11   7.515   1.883   1.883
   82   1HE   LYS  11          1HE       LYS  11   5.462   0.503   0.503
   83   2HE   LYS  11          2HE       LYS  11   4.462   1.964   1.964
   84   1HZ   LYS  11          2HZ       LYS  11   6.076   1.645   1.645
   85   2HZ   LYS  11          3HZ       LYS  11   4.934   0.432   0.432
   86   3HZ   LYS  11          1HZ       LYS  11   4.450   2.041   2.041
   87    H    SER  12           H        SER  12   5.627   4.904   4.904
   88    HA   SER  12           HA       SER  12   6.140   7.845   7.845
   89   1HB   SER  12          1HB       SER  12   3.322   6.610   6.610
   90   2HB   SER  12          2HB       SER  12   3.728   8.311   8.311
   91    HG   SER  12           HG       SER  12   4.792   7.822   7.822
   92    H    GLY  13           H        GLY  13   7.393   5.892   5.892
   93   1HA   GLY  13          1HA       GLY  13   7.363   6.502   6.502
   94   2HA   GLY  13          2HA       GLY  13   5.852   5.568   5.568
   95    H    CYS  14           H        CYS  14   8.060   4.981   4.981
   96    HA   CYS  14           HA       CYS  14   9.549   2.739   2.739
   97   1HB   CYS  14          1HB       CYS  14   9.596   4.136   4.136
   98   2HB   CYS  14          2HB       CYS  14  10.185   2.468   2.468
   99    H    SER  15           H        SER  15   7.339   3.047   3.047
  100    HA   SER  15           HA       SER  15   5.462   1.681   1.681
  101   1HB   SER  15          1HB       SER  15   4.448   0.344   0.344
  102   2HB   SER  15          2HB       SER  15   5.574   1.108   1.108
  103    HG   SER  15           HG       SER  15   6.916  -0.949  -0.949
  104    H    VAL  16           H        VAL  16   8.113   1.585   1.585
  105    HA   VAL  16           HA       VAL  16   8.782  -1.283  -1.283
  106    HB   VAL  16           HB       VAL  16   9.778   1.445   1.445
  107   1HG1  VAL  16          2HG2      VAL  16  10.381  -1.067  -1.067
  108   2HG1  VAL  16          3HG2      VAL  16  11.337   0.418   0.418
  109   3HG1  VAL  16          1HG2      VAL  16   9.625   0.445   0.445
  110   1HG2  VAL  16          1HG1      VAL  16  11.051   0.318   0.318
  111   2HG2  VAL  16          2HG1      VAL  16  12.087   0.513   0.513
  112   3HG2  VAL  16          3HG1      VAL  16  11.416  -1.064  -1.064
  113    H    ASN  17           H        ASN  17   8.647  -2.454  -2.454
  114    HA   ASN  17           HA       ASN  17   6.040  -1.977  -1.977
  115   1HB   ASN  17          1HB       ASN  17   7.128  -4.273  -4.273
  116   2HB   ASN  17          2HB       ASN  17   8.071  -4.205  -4.205
  117   1HD2  ASN  17          1HD2      ASN  17   4.317  -4.408  -4.408
  118   2HD2  ASN  17          2HD2      ASN  17   5.192  -2.845  -2.845
  119    H    TRP  18           H        TRP  18   5.804  -0.707  -0.707
  120    HA   TRP  18           HA       TRP  18   8.221   0.068   0.068
  121   1HB   TRP  18          2HB       TRP  18   5.282   1.092   1.092
  122   2HB   TRP  18          1HB       TRP  18   6.509   1.771   1.771
  123    HD1  TRP  18           HD1      TRP  18   4.832   2.835   2.835
  124    HE1  TRP  18           HE1      TRP  18   6.228   4.339   4.339
  125    HE3  TRP  18           HE3      TRP  18   9.434   1.569   1.569
  126    HZ2  TRP  18           HZ2      TRP  18   9.019   4.743   4.743
  127    HZ3  TRP  18           HZ3      TRP  18  11.445   2.571   2.571
  128    HH2  TRP  18           HH2      TRP  18  11.237   4.229   4.229
  129    H    GLY  19           H        GLY  19   5.240  -1.731  -1.731
  130   1HA   GLY  19          2HA       GLY  19   5.516  -2.058  -2.058
  131   2HA   GLY  19          1HA       GLY  19   4.435  -2.986  -2.986
  132    H    GLU  20           H        GLU  20   6.483  -3.754  -3.754
  133    HA   GLU  20           HA       GLU  20   7.573  -6.102  -6.102
  134   1HB   GLU  20          1HB       GLU  20   7.248  -5.170  -5.170
  135   2HB   GLU  20          2HB       GLU  20   8.902  -5.692  -5.692
  136   1HG   GLU  20          1HG       GLU  20   6.381  -7.427  -7.427
  137   2HG   GLU  20          2HG       GLU  20   7.428  -7.545  -7.545
  138    HE1  GLU  20           HE2      GLU  20   8.413  -9.332  -9.332
  139    H    ALA  21           H        ALA  21   8.777  -2.989  -2.989
  140    HA   ALA  21           HA       ALA  21  11.589  -3.671  -3.671
  141   1HB   ALA  21          2HB       ALA  21  11.118  -2.002  -2.002
  142   2HB   ALA  21          3HB       ALA  21  10.227  -0.961  -0.961
  143   3HB   ALA  21          1HB       ALA  21  11.980  -1.204  -1.204
  144    H    PHE  22           H        PHE  22   8.693  -2.427  -2.427
  145    HA   PHE  22           HA       PHE  22  10.139  -1.523  -1.523
  146   1HB   PHE  22          1HB       PHE  22   7.321  -1.696  -1.696
  147   2HB   PHE  22          2HB       PHE  22   7.414  -2.338  -2.338
  148    HD1  PHE  22           HD1      PHE  22   8.967  -0.745  -0.745
  149    HD2  PHE  22           HD2      PHE  22   6.733   0.581   0.581
  150    HE1  PHE  22           HE1      PHE  22   8.859   1.522   1.522
  151    HE2  PHE  22           HE2      PHE  22   6.612   2.846   2.846
  152    HZ   PHE  22           HZ       PHE  22   7.672   3.321   3.321
  153    H    SER  23           H        SER  23   8.668  -4.465  -4.465
  154    HA   SER  23           HA       SER  23   9.254  -5.917  -5.917
  155   1HB   SER  23          1HB       SER  23   7.428  -6.797  -6.797
  156   2HB   SER  23          2HB       SER  23   8.401  -6.877  -6.877
  157    HG   SER  23           HG       SER  23   8.077  -8.708  -8.708
  158    H    ALA  24           H        ALA  24  10.889  -5.200  -5.200
  159    HA   ALA  24           HA       ALA  24  13.187  -6.999  -6.999
  160   1HB   ALA  24          2HB       ALA  24  12.560  -6.603  -6.603
  161   2HB   ALA  24          3HB       ALA  24  12.856  -4.857  -4.857
  162   3HB   ALA  24          1HB       ALA  24  14.206  -6.012  -6.012
  163    H    GLY  25           H        GLY  25  12.165  -3.746  -3.746
  164   1HA   GLY  25          1HA       GLY  25  14.943  -2.898  -2.898
  165   2HA   GLY  25          2HA       GLY  25  13.452  -1.946  -1.946
  166    H    VAL  26           H        VAL  26  11.737  -3.592  -3.592
  167    HA   VAL  26           HA       VAL  26  12.438  -3.710  -3.710
  168    HB   VAL  26           HB       VAL  26  10.407  -5.244  -5.244
  169   1HG1  VAL  26          1HG1      VAL  26  10.578  -5.652  -5.652
  170   2HG1  VAL  26          2HG1      VAL  26   9.237  -6.183  -6.183
  171   3HG1  VAL  26          3HG1      VAL  26  10.825  -6.903  -6.903
  172   1HG2  VAL  26          2HG2      VAL  26   9.860  -2.834  -2.834
  173   2HG2  VAL  26          3HG2      VAL  26   8.671  -3.963  -3.963
  174   3HG2  VAL  26          1HG2      VAL  26   9.897  -3.240  -3.240
  175    H    HIS  27           H        HIS  27  12.823  -6.084  -6.084
  176    HA   HIS  27           HA       HIS  27  13.994  -8.127  -8.127
  177   1HB   HIS  27          1HB       HIS  27  12.989  -8.357  -8.357
  178   2HB   HIS  27          2HB       HIS  27  14.516  -7.670  -7.670
  179    HD1  HIS  27           HD1      HIS  27  15.694  -9.778  -9.778
  180    HD2  HIS  27           HD2      HIS  27  13.997 -10.279 -10.279
  181    HE1  HIS  27           HE1      HIS  27  16.290 -12.066 -12.066
  182    HE2  HIS  27           HE2      HIS  27  15.315 -12.505 -12.505
  183    H    ARG  28           H        ARG  28  15.242  -5.526  -5.526
  184    HA   ARG  28           HA       ARG  28  18.057  -6.097  -6.097
  185   1HB   ARG  28          1HB       ARG  28  16.487  -4.003  -4.003
  186   2HB   ARG  28          2HB       ARG  28  17.255  -3.192  -3.192
  187   1HG   ARG  28          1HG       ARG  28  19.222  -4.807  -4.807
  188   2HG   ARG  28          2HG       ARG  28  18.358  -3.622  -3.622
  189   1HD   ARG  28          1HD       ARG  28  19.069  -1.781  -1.781
  190   2HD   ARG  28          2HD       ARG  28  19.806  -2.961  -2.961
  191    HE   ARG  28           HE       ARG  28  20.818  -2.175  -2.175
  192   1HH1  ARG  28          2HH1      ARG  28  21.227  -4.264  -4.264
  193   2HH1  ARG  28          1HH1      ARG  28  22.952  -4.702  -4.702
  194   1HH2  ARG  28          1HH2      ARG  28  22.689  -2.694  -2.694
  195   2HH2  ARG  28          2HH2      ARG  28  23.753  -3.850  -3.850
  196    H    LEU  29           H        LEU  29  15.925  -4.197  -4.197
  197    HA   LEU  29           HA       LEU  29  18.085  -3.787  -3.787
  198   1HB   LEU  29          1HB       LEU  29  15.124  -3.595  -3.595
  199   2HB   LEU  29          2HB       LEU  29  16.460  -2.605  -2.605
  200    HG   LEU  29           HG       LEU  29  14.835  -2.382  -2.382
  201   1HD1  LEU  29          3HD2      LEU  29  14.307  -0.984  -0.984
  202   2HD1  LEU  29          1HD2      LEU  29  15.870  -0.183  -0.183
  203   3HD1  LEU  29          2HD2      LEU  29  14.629  -0.007  -0.007
  204   1HD2  LEU  29          2HD1      LEU  29  17.274  -2.476  -2.476
  205   2HD2  LEU  29          3HD1      LEU  29  16.541  -0.884  -0.884
  206   3HD2  LEU  29          1HD1      LEU  29  17.631  -1.113  -1.113
  207    H    ALA  30           H        ALA  30  15.686  -6.231  -6.231
  208    HA   ALA  30           HA       ALA  30  16.014  -7.282  -7.282
  209   1HB   ALA  30          2HB       ALA  30  13.747  -7.252  -7.252
  210   2HB   ALA  30          3HB       ALA  30  14.347  -8.295  -8.295
  211   3HB   ALA  30          1HB       ALA  30  14.221  -8.925  -8.925
  212    H    ASN  31           H        ASN  31  18.178  -7.317  -7.317
  213    HA   ASN  31           HA       ASN  31  18.818 -10.117 -10.117
  214   1HB   ASN  31          1HB       ASN  31  20.220  -8.553  -8.553
  215   2HB   ASN  31          2HB       ASN  31  20.462  -7.532  -7.532
  216   1HD2  ASN  31          1HD2      ASN  31  23.615  -9.027  -9.027
  217   2HD2  ASN  31          2HD2      ASN  31  22.555  -7.515  -7.515
  218    H    GLY  32           H        GLY  32  19.230  -8.047  -8.047
  219   1HA   GLY  32          1HA       GLY  32  19.840 -10.569 -10.569
  220   2HA   GLY  32          2HA       GLY  32  20.964  -9.201  -9.201
  221    H    GLY  33           H        GLY  33  17.431  -9.428  -9.428
  222   1HA   GLY  33          1HA       GLY  33  17.221  -7.765  -7.765
  223   2HA   GLY  33          2HA       GLY  33  16.047  -7.675  -7.675
  224    H    ASN  34           H        ASN  34  15.867 -10.388 -10.388
  225    HA   ASN  34           HA       ASN  34  14.439 -12.191 -12.191
  226   1HB   ASN  34          1HB       ASN  34  16.446 -12.124 -12.124
  227   2HB   ASN  34          2HB       ASN  34  15.079 -11.843 -11.843
  228   1HD2  ASN  34          1HD2      ASN  34  15.905 -15.557 -15.557
  229   2HD2  ASN  34          2HD2      ASN  34  17.079 -14.145 -14.145
  230    H    GLY  35           H        GLY  35  13.478  -9.517  -9.517
  231   1HA   GLY  35          1HA       GLY  35  11.432  -9.358  -9.358
  232   2HA   GLY  35          2HA       GLY  35  11.684  -8.142  -8.142
  233    H    PHE  36           H        PHE  36  11.537  -9.476  -9.476
  234    HA   PHE  36           HA       PHE  36   8.722 -10.714 -10.714
  235   1HB   PHE  36          1HB       PHE  36   9.801  -9.497  -9.497
  236   2HB   PHE  36          2HB       PHE  36   8.153  -9.597  -9.597
  237    HD1  PHE  36           HD2      PHE  36  11.303  -7.620  -7.620
  238    HD2  PHE  36           HD1      PHE  36   7.151  -7.842  -7.842
  239    HE1  PHE  36           HE2      PHE  36  11.377  -5.286  -5.286
  240    HE2  PHE  36           HE1      PHE  36   7.230  -5.510  -5.510
  241    HZ   PHE  36           HZ       PHE  36   9.343  -4.227  -4.227
  242    H    TRP  37           H        TRP  37  11.753 -11.711 -11.711
  243    HA   TRP  37           HA       TRP  37  12.941 -13.324 -13.324
  244   1HB   TRP  37          1HB       TRP  37  10.216 -14.728 -14.728
  245   2HB   TRP  37          2HB       TRP  37  11.773 -15.465 -15.465
  246    HD1  TRP  37           HD1      TRP  37  12.751 -15.354 -15.354
  247    HE1  TRP  37           HE1      TRP  37  11.564 -15.146 -15.146
  248    HE3  TRP  37           HE3      TRP  37   8.287 -13.638 -13.638
  249    HZ2  TRP  37           HZ2      TRP  37   8.977 -14.264 -14.264
  250    HZ3  TRP  37           HZ3      TRP  37   6.428 -13.272 -13.272
  251    HH2  TRP  37           HH2      TRP  37   6.761 -13.592 -13.592
  252    HXT  TRP  37           HXT      TRP  37  11.290 -13.860 -13.860

  Start of MODEL   15
    1   1H    LYS   1          2H        LYS   1  13.894   5.456   5.456
    2   2H    LYS   1          3H        LYS   1  12.698   6.592   6.592
    3   3H    LYS   1          1H        LYS   1  12.339   4.951   4.951
    4    HA   LYS   1           HA       LYS   1  12.517   5.447   5.447
    5   1HB   LYS   1          1HB       LYS   1  13.307   7.565   7.565
    6   2HB   LYS   1          2HB       LYS   1  14.148   7.646   7.646
    7   1HG   LYS   1          1HG       LYS   1  16.084   6.272   6.272
    8   2HG   LYS   1          2HG       LYS   1  15.231   6.379   6.379
    9   1HD   LYS   1          1HD       LYS   1  17.192   8.096   8.096
   10   2HD   LYS   1          2HD       LYS   1  15.915   8.581   8.581
   11   1HE   LYS   1          1HE       LYS   1  14.603   9.688   9.688
   12   2HE   LYS   1          2HE       LYS   1  15.386   8.819   8.819
   13   1HZ   LYS   1          2HZ       LYS   1  17.513   9.952   9.952
   14   2HZ   LYS   1          3HZ       LYS   1  16.527  10.974  10.974
   15   3HZ   LYS   1          1HZ       LYS   1  16.364  10.907  10.907
   16    H    TYR   2           H        TYR   2  13.541   4.351   4.351
   17    HA   TYR   2           HA       TYR   2  16.190   3.168   3.168
   18   1HB   TYR   2          1HB       TYR   2  15.545   0.771   0.771
   19   2HB   TYR   2          2HB       TYR   2  15.543   1.900   1.900
   20    HD1  TYR   2           HD2      TYR   2  13.064   3.186   3.186
   21    HD2  TYR   2           HD1      TYR   2  13.769  -0.793  -0.793
   22    HE1  TYR   2           HE2      TYR   2  10.783   2.541   2.541
   23    HE2  TYR   2           HE1      TYR   2  11.475  -1.429  -1.429
   24    HH   TYR   2           HH       TYR   2   9.662   0.123   0.123
   25    H    TYR   3           H        TYR   3  15.723   3.932   3.932
   26    HA   TYR   3           HA       TYR   3  13.784   2.207   2.207
   27   1HB   TYR   3          2HB       TYR   3  14.972   3.987   3.987
   28   2HB   TYR   3          1HB       TYR   3  13.522   4.403   4.403
   29    HD1  TYR   3           HD2      TYR   3  17.154   4.770   4.770
   30    HD2  TYR   3           HD1      TYR   3  13.824   6.176   6.176
   31    HE1  TYR   3           HE2      TYR   3  18.466   6.725   6.725
   32    HE2  TYR   3           HE1      TYR   3  15.156   8.134   8.134
   33    HH   TYR   3           HH       TYR   3  18.263   8.837   8.837
   34    H    GLY   4           H        GLY   4  16.457   1.269   1.269
   35   1HA   GLY   4          2HA       GLY   4  18.350   1.339   1.339
   36   2HA   GLY   4          1HA       GLY   4  18.546   0.387   0.387
   37    H    ASN   5           H        ASN   5  18.976  -1.527  -1.527
   38    HA   ASN   5           HA       ASN   5  18.055  -2.640  -2.640
   39   1HB   ASN   5          1HB       ASN   5  19.610  -3.744  -3.744
   40   2HB   ASN   5          2HB       ASN   5  19.066  -4.865  -4.865
   41   1HD2  ASN   5          1HD2      ASN   5  22.170  -4.214  -4.214
   42   2HD2  ASN   5          2HD2      ASN   5  21.155  -5.418  -5.418
   43    H    GLY   6           H        GLY   6  16.314  -3.493  -3.493
   44   1HA   GLY   6          1HA       GLY   6  14.479  -5.115  -5.115
   45   2HA   GLY   6          2HA       GLY   6  14.824  -5.284  -5.284
   46    H    VAL   7           H        VAL   7  14.468  -2.274  -2.274
   47    HA   VAL   7           HA       VAL   7  11.713  -1.931  -1.931
   48    HB   VAL   7           HB       VAL   7  14.108  -0.013  -0.013
   49   1HG1  VAL   7          1HG1      VAL   7  11.214   1.049   1.049
   50   2HG1  VAL   7          2HG1      VAL   7  12.705   1.976   1.976
   51   3HG1  VAL   7          3HG1      VAL   7  12.331   1.448   1.448
   52   1HG2  VAL   7          2HG2      VAL   7  13.665  -1.255  -1.255
   53   2HG2  VAL   7          3HG2      VAL   7  13.543   0.496   0.496
   54   3HG2  VAL   7          1HG2      VAL   7  12.062  -0.492  -0.492
   55    H    HIS   8           H        HIS   8  13.928  -0.847  -0.847
   56    HA   HIS   8           HA       HIS   8  13.446  -0.064  -0.064
   57   1HB   HIS   8          1HB       HIS   8  12.052  -2.446  -2.446
   58   2HB   HIS   8          2HB       HIS   8  10.634  -1.397  -1.397
   59    HD1  HIS   8           HD1      HIS   8  13.634  -0.531  -0.531
   60    HD2  HIS   8           HD2      HIS   8   9.697  -2.262  -2.262
   61    HE1  HIS   8           HE1      HIS   8  12.763  -0.840  -0.840
   62    HE2  HIS   8           HE2      HIS   8  10.363  -1.898  -1.898
   63    H    CYS   9           H        CYS   9  13.368   1.888   1.888
   64    HA   CYS   9           HA       CYS   9  10.663   3.209   3.209
   65   1HB   CYS   9          1HB       CYS   9  12.331   3.748   3.748
   66   2HB   CYS   9          2HB       CYS   9  13.530   4.251   4.251
   67    H    THR  10           H        THR  10   9.808   3.363   3.363
   68    HA   THR  10           HA       THR  10  11.529   4.560   4.560
   69    HB   THR  10           HB       THR  10  10.087   2.252   2.252
   70    HG1  THR  10           HG1      THR  10  10.040   2.553   2.553
   71   1HG2  THR  10          3HG2      THR  10   8.052   4.313   4.313
   72   2HG2  THR  10          1HG2      THR  10   7.966   2.548   2.548
   73   3HG2  THR  10          2HG2      THR  10   7.767   3.239   3.239
   74    H    LYS  11           H        LYS  11   9.388   5.325   5.325
   75    HA   LYS  11           HA       LYS  11   8.705   7.902   7.902
   76   1HB   LYS  11          1HB       LYS  11   8.009   8.626   8.626
   77   2HB   LYS  11          2HB       LYS  11   9.723   8.394   8.394
   78   1HG   LYS  11          1HG       LYS  11   9.692   7.031   7.031
   79   2HG   LYS  11          2HG       LYS  11   8.989   5.809   5.809
   80   1HD   LYS  11          1HD       LYS  11   7.819   6.245   6.245
   81   2HD   LYS  11          2HD       LYS  11   6.754   6.292   6.292
   82   1HE   LYS  11          1HE       LYS  11   6.585   8.692   8.692
   83   2HE   LYS  11          2HE       LYS  11   8.090   8.917   8.917
   84   1HZ   LYS  11          2HZ       LYS  11   5.840   7.463   7.463
   85   2HZ   LYS  11          3HZ       LYS  11   5.862   9.144   9.144
   86   3HZ   LYS  11          1HZ       LYS  11   7.103   8.298   8.298
   87    H    SER  12           H        SER  12   7.367   5.492   5.492
   88    HA   SER  12           HA       SER  12   4.575   6.620   6.620
   89   1HB   SER  12          1HB       SER  12   5.521   3.747   3.747
   90   2HB   SER  12          2HB       SER  12   3.895   3.978   3.978
   91    HG   SER  12           HG       SER  12   4.221   3.879   3.879
   92    H    GLY  13           H        GLY  13   6.603   4.506   4.506
   93   1HA   GLY  13          1HA       GLY  13   6.085   5.948   5.948
   94   2HA   GLY  13          2HA       GLY  13   4.854   4.670   4.670
   95    H    CYS  14           H        CYS  14   7.095   5.094   5.094
   96    HA   CYS  14           HA       CYS  14   8.686   2.543   2.543
   97   1HB   CYS  14          1HB       CYS  14   9.734   4.583   4.583
   98   2HB   CYS  14          2HB       CYS  14  10.632   3.585   3.585
   99    H    SER  15           H        SER  15   9.675   2.902   2.902
  100    HA   SER  15           HA       SER  15   9.239   1.374   1.374
  101   1HB   SER  15          1HB       SER  15   7.252   2.039   2.039
  102   2HB   SER  15          2HB       SER  15   8.163   3.445   3.445
  103    HG   SER  15           HG       SER  15   6.328   4.103   4.103
  104    H    VAL  16           H        VAL  16   9.190  -0.239  -0.239
  105    HA   VAL  16           HA       VAL  16   6.386  -1.481  -1.481
  106    HB   VAL  16           HB       VAL  16   8.824  -2.057  -2.057
  107   1HG1  VAL  16          2HG2      VAL  16   5.820  -2.650  -2.650
  108   2HG1  VAL  16          3HG2      VAL  16   7.050  -2.816  -2.816
  109   3HG1  VAL  16          1HG2      VAL  16   7.127  -3.842  -3.842
  110   1HG2  VAL  16          1HG1      VAL  16   8.259   0.361   0.361
  111   2HG2  VAL  16          2HG1      VAL  16   7.801  -0.637  -0.637
  112   3HG2  VAL  16          3HG1      VAL  16   6.558  -0.068  -0.068
  113    H    ASN  17           H        ASN  17   5.991  -2.976  -2.976
  114    HA   ASN  17           HA       ASN  17   8.230  -4.885  -4.885
  115   1HB   ASN  17          1HB       ASN  17   6.067  -3.784  -3.784
  116   2HB   ASN  17          2HB       ASN  17   5.393  -5.337  -5.337
  117   1HD2  ASN  17          1HD2      ASN  17   6.986  -5.921  -5.921
  118   2HD2  ASN  17          2HD2      ASN  17   5.514  -5.049  -5.049
  119    H    TRP  18           H        TRP  18   8.642  -6.595  -6.595
  120    HA   TRP  18           HA       TRP  18   6.645  -7.469  -7.469
  121   1HB   TRP  18          2HB       TRP  18   9.526  -8.454  -8.454
  122   2HB   TRP  18          1HB       TRP  18   8.604  -8.990  -8.990
  123    HD1  TRP  18           HD1      TRP  18  11.327  -6.738  -6.738
  124    HE1  TRP  18           HE1      TRP  18  11.638  -4.770  -4.770
  125    HE3  TRP  18           HE3      TRP  18   6.695  -7.106  -7.106
  126    HZ2  TRP  18           HZ2      TRP  18   9.921  -3.651  -3.651
  127    HZ3  TRP  18           HZ3      TRP  18   6.014  -5.451  -5.451
  128    HH2  TRP  18           HH2      TRP  18   7.614  -3.774  -3.774
  129    H    GLY  19           H        GLY  19   8.111  -8.650  -8.650
  130   1HA   GLY  19          2HA       GLY  19   6.911 -11.375 -11.375
  131   2HA   GLY  19          1HA       GLY  19   7.491 -10.590 -10.590
  132    H    GLU  20           H        GLU  20   6.007  -8.293  -8.293
  133    HA   GLU  20           HA       GLU  20   3.437  -9.367  -9.367
  134   1HB   GLU  20          1HB       GLU  20   5.033  -6.883  -6.883
  135   2HB   GLU  20          2HB       GLU  20   3.377  -6.468  -6.468
  136   1HG   GLU  20          1HG       GLU  20   3.804  -8.365  -8.365
  137   2HG   GLU  20          2HG       GLU  20   4.363  -6.726  -6.726
  138    HE1  GLU  20           HE2      GLU  20   1.051  -5.453  -5.453
  139    H    ALA  21           H        ALA  21   4.496  -7.918  -7.918
  140    HA   ALA  21           HA       ALA  21   1.660  -7.453  -7.453
  141   1HB   ALA  21          2HB       ALA  21   3.567  -5.995  -5.995
  142   2HB   ALA  21          3HB       ALA  21   4.363  -7.400  -7.400
  143   3HB   ALA  21          1HB       ALA  21   2.810  -6.806  -6.806
  144    H    PHE  22           H        PHE  22   3.923 -10.077 -10.077
  145    HA   PHE  22           HA       PHE  22   2.299 -11.618 -11.618
  146   1HB   PHE  22          1HB       PHE  22   4.793 -12.081 -12.081
  147   2HB   PHE  22          2HB       PHE  22   4.368 -12.581 -12.581
  148    HD1  PHE  22           HD1      PHE  22   2.990 -14.694 -14.694
  149    HD2  PHE  22           HD2      PHE  22   4.592 -13.640 -13.640
  150    HE1  PHE  22           HE1      PHE  22   2.649 -17.003 -17.003
  151    HE2  PHE  22           HE2      PHE  22   4.261 -15.960 -15.960
  152    HZ   PHE  22           HZ       PHE  22   3.296 -17.648 -17.648
  153    H    SER  23           H        SER  23   2.531 -11.240 -11.240
  154    HA   SER  23           HA       SER  23   0.302 -13.187 -13.187
  155   1HB   SER  23          1HB       SER  23   1.899 -12.861 -12.861
  156   2HB   SER  23          2HB       SER  23   1.687 -11.118 -11.118
  157    HG   SER  23           HG       SER  23   0.235 -11.532 -11.532
  158    H    ALA  24           H        ALA  24   0.672  -9.774  -9.774
  159    HA   ALA  24           HA       ALA  24  -2.287  -9.329  -9.329
  160   1HB   ALA  24          2HB       ALA  24  -0.604  -7.529  -7.529
  161   2HB   ALA  24          3HB       ALA  24  -0.038  -7.480  -7.480
  162   3HB   ALA  24          1HB       ALA  24  -1.688  -6.949  -6.949
  163    H    GLY  25           H        GLY  25  -0.184 -10.317 -10.317
  164   1HA   GLY  25          1HA       GLY  25  -2.243  -9.639  -9.639
  165   2HA   GLY  25          2HA       GLY  25  -0.718 -10.512 -10.512
  166    H    VAL  26           H        VAL  26  -0.752 -12.423 -12.423
  167    HA   VAL  26           HA       VAL  26  -2.576 -14.467 -14.467
  168    HB   VAL  26           HB       VAL  26  -1.024 -14.094 -14.094
  169   1HG1  VAL  26          1HG1      VAL  26  -2.686 -16.648 -16.648
  170   2HG1  VAL  26          2HG1      VAL  26  -1.473 -16.466 -16.466
  171   3HG1  VAL  26          3HG1      VAL  26  -2.941 -15.508 -15.508
  172   1HG2  VAL  26          2HG2      VAL  26   0.310 -14.777 -14.777
  173   2HG2  VAL  26          3HG2      VAL  26   0.377 -16.000 -16.000
  174   3HG2  VAL  26          1HG2      VAL  26  -0.668 -16.256 -16.256
  175    H    HIS  27           H        HIS  27  -2.910 -12.147 -12.147
  176    HA   HIS  27           HA       HIS  27  -5.588 -13.242 -13.242
  177   1HB   HIS  27          1HB       HIS  27  -3.712 -10.904 -10.904
  178   2HB   HIS  27          2HB       HIS  27  -5.424 -10.570 -10.570
  179    HD1  HIS  27           HD1      HIS  27  -2.926 -11.265 -11.265
  180    HD2  HIS  27           HD2      HIS  27  -6.339 -13.491 -13.491
  181    HE1  HIS  27           HE1      HIS  27  -3.582 -12.940 -12.940
  182    HE2  HIS  27           HE2      HIS  27  -5.659 -14.369 -14.369
  183    H    ARG  28           H        ARG  28  -4.335 -10.722 -10.722
  184    HA   ARG  28           HA       ARG  28  -6.850  -9.387  -9.387
  185   1HB   ARG  28          1HB       ARG  28  -4.139  -9.327  -9.327
  186   2HB   ARG  28          2HB       ARG  28  -5.078  -9.721  -9.721
  187   1HG   ARG  28          1HG       ARG  28  -6.282  -7.599  -7.599
  188   2HG   ARG  28          2HG       ARG  28  -5.973  -7.369  -7.369
  189   1HD   ARG  28          1HD       ARG  28  -3.617  -6.800  -6.800
  190   2HD   ARG  28          2HD       ARG  28  -3.706  -7.371  -7.371
  191    HE   ARG  28           HE       ARG  28  -5.748  -5.311  -5.311
  192   1HH1  ARG  28          2HH1      ARG  28  -2.422  -5.711  -5.711
  193   2HH1  ARG  28          1HH1      ARG  28  -2.343  -4.028  -4.028
  194   1HH2  ARG  28          1HH2      ARG  28  -5.587  -3.504  -3.504
  195   2HH2  ARG  28          2HH2      ARG  28  -4.059  -2.823  -2.823
  196    H    LEU  29           H        LEU  29  -5.358 -12.249 -12.249
  197    HA   LEU  29           HA       LEU  29  -7.620 -12.485 -12.485
  198   1HB   LEU  29          1HB       LEU  29  -5.554 -14.687 -14.687
  199   2HB   LEU  29          2HB       LEU  29  -6.397 -14.331 -14.331
  200    HG   LEU  29           HG       LEU  29  -3.834 -13.235 -13.235
  201   1HD1  LEU  29          2HD1      LEU  29  -3.989 -14.720 -14.720
  202   2HD1  LEU  29          3HD1      LEU  29  -4.989 -13.510 -13.510
  203   3HD1  LEU  29          1HD1      LEU  29  -3.297 -13.144 -13.144
  204   1HD2  LEU  29          2HD2      LEU  29  -5.770 -11.328 -11.328
  205   2HD2  LEU  29          3HD2      LEU  29  -5.103 -11.106 -11.106
  206   3HD2  LEU  29          1HD2      LEU  29  -4.026 -11.033 -11.033
  207    H    ALA  30           H        ALA  30  -6.552 -13.955 -13.955
  208    HA   ALA  30           HA       ALA  30  -8.319 -16.215 -16.215
  209   1HB   ALA  30          2HB       ALA  30  -6.573 -15.656 -15.656
  210   2HB   ALA  30          3HB       ALA  30  -7.540 -14.270 -14.270
  211   3HB   ALA  30          1HB       ALA  30  -8.142 -15.931 -15.931
  212    H    ASN  31           H        ASN  31  -9.011 -12.849 -12.849
  213    HA   ASN  31           HA       ASN  31 -11.725 -13.377 -13.377
  214   1HB   ASN  31          2HB       ASN  31 -10.880 -11.195 -11.195
  215   2HB   ASN  31          1HB       ASN  31 -10.198 -10.929 -10.929
  216   1HD2  ASN  31          1HD2      ASN  31 -12.871  -8.727  -8.727
  217   2HD2  ASN  31          2HD2      ASN  31 -11.046  -9.006  -9.006
  218    H    GLY  32           H        GLY  32 -10.545 -12.318 -12.318
  219   1HA   GLY  32          1HA       GLY  32 -13.188 -13.426 -13.426
  220   2HA   GLY  32          2HA       GLY  32 -12.400 -11.975 -11.975
  221    H    GLY  33           H        GLY  33 -10.363 -12.139 -12.139
  222   1HA   GLY  33          1HA       GLY  33  -8.661 -14.191 -14.191
  223   2HA   GLY  33          2HA       GLY  33 -10.104 -14.816 -14.816
  224    H    ASN  34           H        ASN  34  -7.679 -14.188 -14.188
  225    HA   ASN  34           HA       ASN  34  -8.623 -12.033 -12.033
  226   1HB   ASN  34          1HB       ASN  34  -6.982 -11.181 -11.181
  227   2HB   ASN  34          2HB       ASN  34  -5.722 -11.834 -11.834
  228   1HD2  ASN  34          1HD2      ASN  34  -6.599  -8.167  -8.167
  229   2HD2  ASN  34          2HD2      ASN  34  -6.344  -9.081  -9.081
  230    H    GLY  35           H        GLY  35  -5.408 -13.372 -13.372
  231   1HA   GLY  35          1HA       GLY  35  -5.724 -15.143 -15.143
  232   2HA   GLY  35          2HA       GLY  35  -4.586 -13.791 -13.791
  233    H    PHE  36           H        PHE  36  -5.467 -16.211 -16.211
  234    HA   PHE  36           HA       PHE  36  -2.464 -16.711 -16.711
  235   1HB   PHE  36          1HB       PHE  36  -4.595 -16.373 -16.373
  236   2HB   PHE  36          2HB       PHE  36  -4.412 -18.104 -18.104
  237    HD1  PHE  36           HD2      PHE  36  -1.821 -18.971 -18.971
  238    HD2  PHE  36           HD1      PHE  36  -3.270 -15.146 -15.146
  239    HE1  PHE  36           HE2      PHE  36   0.000 -18.843 -18.843
  240    HE2  PHE  36           HE1      PHE  36  -1.454 -15.029 -15.029
  241    HZ   PHE  36           HZ       PHE  36   0.180 -16.879 -16.879
  242    H    TRP  37           H        TRP  37  -5.574 -18.204 -18.204
  243    HA   TRP  37           HA       TRP  37  -4.056 -20.777 -20.777
  244   1HB   TRP  37          1HB       TRP  37  -6.636 -21.632 -21.632
  245   2HB   TRP  37          2HB       TRP  37  -5.770 -21.501 -21.501
  246    HD1  TRP  37           HD1      TRP  37  -8.735 -20.022 -20.022
  247    HE1  TRP  37           HE1      TRP  37 -10.094 -18.258 -18.258
  248    HE3  TRP  37           HE3      TRP  37  -5.403 -19.765 -19.765
  249    HZ2  TRP  37           HZ2      TRP  37  -9.597 -17.038 -17.038
  250    HZ3  TRP  37           HZ3      TRP  37  -5.828 -18.184 -18.184
  251    HH2  TRP  37           HH2      TRP  37  -7.895 -16.842 -16.842
  252    HXT  TRP  37           HXT      TRP  37  -5.279 -20.855 -20.855

  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  13.790   4.790   4.790
    2   2H    LYS   1          2H        LYS   1  13.383   5.276   5.276
    3   3H    LYS   1          3H        LYS   1  12.547   4.013   4.013
    4    HA   LYS   1           HA       LYS   1  14.424   2.612   2.612
    5   1HB   LYS   1          1HB       LYS   1  14.869   3.281   3.281
    6   2HB   LYS   1          2HB       LYS   1  13.803   2.038   2.038
    7   1HG   LYS   1          1HG       LYS   1  12.028   4.023   4.023
    8   2HG   LYS   1          2HG       LYS   1  13.100   4.955   4.955
    9   1HD   LYS   1          1HD       LYS   1  12.818   2.748   2.748
   10   2HD   LYS   1          2HD       LYS   1  11.358   2.521   2.521
   11   1HE   LYS   1          1HE       LYS   1  11.930   5.325   5.325
   12   2HE   LYS   1          2HE       LYS   1  11.270   4.102   4.102
   13   1HZ   LYS   1          3HZ       LYS   1  10.061   4.577   4.577
   14   2HZ   LYS   1          1HZ       LYS   1   9.632   5.482   5.482
   15   3HZ   LYS   1          2HZ       LYS   1   9.386   3.818   3.818
   16    H    TYR   2           H        TYR   2  16.493   2.262   2.262
   17    HA   TYR   2           HA       TYR   2  18.430   4.380   4.380
   18   1HB   TYR   2          1HB       TYR   2  19.330   4.882   4.882
   19   2HB   TYR   2          2HB       TYR   2  17.707   5.478   5.478
   20    HD1  TYR   2           HD2      TYR   2  19.734   2.861   2.861
   21    HD2  TYR   2           HD1      TYR   2  15.819   4.596   4.596
   22    HE1  TYR   2           HE2      TYR   2  19.009   1.680   1.680
   23    HE2  TYR   2           HE1      TYR   2  15.101   3.399   3.399
   24    HH   TYR   2           HH       TYR   2  15.765   1.370   1.370
   25    H    TYR   3           H        TYR   3  17.903   1.466   1.466
   26    HA   TYR   3           HA       TYR   3  20.387   0.384   0.384
   27   1HB   TYR   3          2HB       TYR   3  19.231  -1.578  -1.578
   28   2HB   TYR   3          1HB       TYR   3  19.083  -1.579  -1.579
   29    HD1  TYR   3           HD2      TYR   3  17.586  -0.211  -0.211
   30    HD2  TYR   3           HD1      TYR   3  16.784  -1.394  -1.394
   31    HE1  TYR   3           HE2      TYR   3  15.175  -0.136  -0.136
   32    HE2  TYR   3           HE1      TYR   3  14.362  -1.317  -1.317
   33    HH   TYR   3           HH       TYR   3  13.117  -1.258  -1.258
   34    H    GLY   4           H        GLY   4  19.528   1.876   1.876
   35   1HA   GLY   4          2HA       GLY   4  20.378   1.761   1.761
   36   2HA   GLY   4          1HA       GLY   4  21.950   1.722   1.722
   37    H    ASN   5           H        ASN   5  19.215  -0.387  -0.387
   38    HA   ASN   5           HA       ASN   5  21.154  -2.383  -2.383
   39   1HB   ASN   5          1HB       ASN   5  20.793  -2.604  -2.604
   40   2HB   ASN   5          2HB       ASN   5  19.400  -3.533  -3.533
   41   1HD2  ASN   5          1HD2      ASN   5  23.096  -5.117  -5.117
   42   2HD2  ASN   5          2HD2      ASN   5  22.935  -3.301  -3.301
   43    H    GLY   6           H        GLY   6  18.906  -0.798  -0.798
   44   1HA   GLY   6          1HA       GLY   6  17.508  -1.435  -1.435
   45   2HA   GLY   6          2HA       GLY   6  17.591  -3.140  -3.140
   46    H    VAL   7           H        VAL   7  16.466  -0.006  -0.006
   47    HA   VAL   7           HA       VAL   7  14.318  -1.308  -1.308
   48    HB   VAL   7           HB       VAL   7  14.120   1.635   1.635
   49   1HG1  VAL   7          2HG2      VAL   7  12.720   0.557   0.557
   50   2HG1  VAL   7          3HG2      VAL   7  14.208   0.370   0.370
   51   3HG1  VAL   7          1HG2      VAL   7  13.635   2.000   2.000
   52   1HG2  VAL   7          3HG1      VAL   7  16.703   1.262   1.262
   53   2HG2  VAL   7          1HG1      VAL   7  15.981   2.482   2.482
   54   3HG2  VAL   7          2HG1      VAL   7  16.407   0.862   0.862
   55    H    HIS   8           H        HIS   8  14.566  -0.772  -0.772
   56    HA   HIS   8           HA       HIS   8  12.909  -1.162  -1.162
   57   1HB   HIS   8          2HB       HIS   8  12.188  -2.862  -2.862
   58   2HB   HIS   8          1HB       HIS   8  10.849  -1.736  -1.736
   59    HD1  HIS   8           HD1      HIS   8  12.273  -4.084  -4.084
   60    HD2  HIS   8           HD2      HIS   8   8.839  -1.886  -1.886
   61    HE1  HIS   8           HE1      HIS   8  10.282  -4.713  -4.713
   62    HE2  HIS   8           HE2      HIS   8   8.113  -3.434  -3.434
   63    H    CYS   9           H        CYS   9  12.979   0.889   0.889
   64    HA   CYS   9           HA       CYS   9  10.576   2.533   2.533
   65   1HB   CYS   9          1HB       CYS   9  13.473   3.297   3.297
   66   2HB   CYS   9          2HB       CYS   9  12.213   4.509   4.509
   67    H    THR  10           H        THR  10   9.499   3.834   3.834
   68    HA   THR  10           HA       THR  10  10.019   3.208   3.208
   69    HB   THR  10           HB       THR  10   7.678   2.925   2.925
   70    HG1  THR  10           HG1      THR  10   6.101   3.333   3.333
   71   1HG2  THR  10          3HG2      THR  10   8.013   1.554   1.554
   72   2HG2  THR  10          1HG2      THR  10   6.753   1.171   1.171
   73   3HG2  THR  10          2HG2      THR  10   8.442   0.824   0.824
   74    H    LYS  11           H        LYS  11   7.990   4.710   4.710
   75    HA   LYS  11           HA       LYS  11   9.118   7.481   7.481
   76   1HB   LYS  11          1HB       LYS  11   7.367   6.467   6.467
   77   2HB   LYS  11          2HB       LYS  11   8.013   8.097   8.097
   78   1HG   LYS  11          1HG       LYS  11  10.366   7.232   7.232
   79   2HG   LYS  11          2HG       LYS  11   9.804   5.566   5.566
   80   1HD   LYS  11          1HD       LYS  11   8.423   6.355   6.355
   81   2HD   LYS  11          2HD       LYS  11   9.727   7.557   7.557
   82   1HE   LYS  11          1HE       LYS  11  10.658   4.743   4.743
   83   2HE   LYS  11          2HE       LYS  11   9.987   4.932   4.932
   84   1HZ   LYS  11          3HZ       LYS  11  11.877   6.960   6.960
   85   2HZ   LYS  11          1HZ       LYS  11  12.455   5.485   5.485
   86   3HZ   LYS  11          2HZ       LYS  11  11.558   6.482   6.482
   87    H    SER  12           H        SER  12   7.456   6.381   6.381
   88    HA   SER  12           HA       SER  12   5.662   8.727   8.727
   89   1HB   SER  12          1HB       SER  12   3.787   6.523   6.523
   90   2HB   SER  12          2HB       SER  12   3.621   7.912   7.912
   91    HG   SER  12           HG       SER  12   4.759   5.365   5.365
   92    H    GLY  13           H        GLY  13   6.181   5.405   5.405
   93   1HA   GLY  13          1HA       GLY  13   6.863   6.388   6.388
   94   2HA   GLY  13          2HA       GLY  13   5.259   5.628   5.628
   95    H    CYS  14           H        CYS  14   7.674   4.845   4.845
   96    HA   CYS  14           HA       CYS  14   8.652   2.455   2.455
   97   1HB   CYS  14          1HB       CYS  14   9.569   3.438   3.438
   98   2HB   CYS  14          2HB       CYS  14  10.437   2.314   2.314
   99    H    SER  15           H        SER  15   7.886   2.845   2.845
  100    HA   SER  15           HA       SER  15   6.436   1.554   1.554
  101   1HB   SER  15          1HB       SER  15   4.591   1.965   1.965
  102   2HB   SER  15          2HB       SER  15   5.194   0.844   0.844
  103    HG   SER  15           HG       SER  15   3.950  -0.541  -0.541
  104    H    VAL  16           H        VAL  16   7.697   0.329   0.329
  105    HA   VAL  16           HA       VAL  16   8.904  -2.077  -2.077
  106    HB   VAL  16           HB       VAL  16   9.415  -0.569  -0.569
  107   1HG1  VAL  16          2HG2      VAL  16  10.489  -3.423  -3.423
  108   2HG1  VAL  16          3HG2      VAL  16  11.166  -2.318  -2.318
  109   3HG1  VAL  16          1HG2      VAL  16   9.486  -2.891  -2.891
  110   1HG2  VAL  16          1HG1      VAL  16  10.830   0.166   0.166
  111   2HG2  VAL  16          2HG1      VAL  16  11.843  -0.587  -0.587
  112   3HG2  VAL  16          3HG1      VAL  16  11.456  -1.488  -1.488
  113    H    ASN  17           H        ASN  17   7.774  -3.773  -3.773
  114    HA   ASN  17           HA       ASN  17   5.789  -4.611  -4.611
  115   1HB   ASN  17          2HB       ASN  17   6.587  -6.894  -6.894
  116   2HB   ASN  17          1HB       ASN  17   5.179  -5.846  -5.846
  117   1HD2  ASN  17          1HD2      ASN  17   6.379  -5.082  -5.082
  118   2HD2  ASN  17          2HD2      ASN  17   4.953  -5.303  -5.303
  119    H    TRP  18           H        TRP  18   5.781  -6.347  -6.347
  120    HA   TRP  18           HA       TRP  18   8.598  -7.013  -7.013
  121   1HB   TRP  18          2HB       TRP  18   5.885  -7.095  -7.095
  122   2HB   TRP  18          1HB       TRP  18   7.454  -7.381  -7.381
  123    HD1  TRP  18           HD1      TRP  18   4.987  -4.775  -4.775
  124    HE1  TRP  18           HE1      TRP  18   5.886  -2.284  -2.284
  125    HE3  TRP  18           HE3      TRP  18   9.844  -5.820  -5.820
  126    HZ2  TRP  18           HZ2      TRP  18   8.454  -1.116  -1.116
  127    HZ3  TRP  18           HZ3      TRP  18  11.531  -4.014  -4.014
  128    HH2  TRP  18           HH2      TRP  18  10.848  -1.690  -1.690
  129    H    GLY  19           H        GLY  19   5.343  -8.319  -8.319
  130   1HA   GLY  19          2HA       GLY  19   6.181 -11.154 -11.154
  131   2HA   GLY  19          1HA       GLY  19   4.708 -10.618 -10.618
  132    H    GLU  20           H        GLU  20   5.648  -9.058  -9.058
  133    HA   GLU  20           HA       GLU  20   6.699 -10.985 -10.985
  134   1HB   GLU  20          1HB       GLU  20   6.144  -7.986  -7.986
  135   2HB   GLU  20          2HB       GLU  20   7.172  -8.547  -8.547
  136   1HG   GLU  20          1HG       GLU  20   5.346  -9.202  -9.202
  137   2HG   GLU  20          2HG       GLU  20   4.793 -10.276 -10.276
  138    HE2  GLU  20           HE2      GLU  20   2.830  -7.001  -7.001
  139    H    ALA  21           H        ALA  21   8.179  -8.705  -8.705
  140    HA   ALA  21           HA       ALA  21  10.863  -8.909  -8.909
  141   1HB   ALA  21          2HB       ALA  21  10.187  -7.046  -7.046
  142   2HB   ALA  21          3HB       ALA  21   9.995  -8.209  -8.209
  143   3HB   ALA  21          1HB       ALA  21  11.606  -7.895  -7.895
  144    H    PHE  22           H        PHE  22   9.021 -10.881 -10.881
  145    HA   PHE  22           HA       PHE  22  11.359 -12.661 -12.661
  146   1HB   PHE  22          1HB       PHE  22   9.455 -12.717 -12.717
  147   2HB   PHE  22          2HB       PHE  22   8.292 -12.923 -12.923
  148    HD1  PHE  22           HD2      PHE  22  11.172 -14.754 -14.754
  149    HD2  PHE  22           HD1      PHE  22   7.469 -15.062 -15.062
  150    HE1  PHE  22           HE2      PHE  22  11.166 -17.196 -17.196
  151    HE2  PHE  22           HE1      PHE  22   7.487 -17.501 -17.501
  152    HZ   PHE  22           HZ       PHE  22   9.324 -18.574 -18.574
  153    H    SER  23           H        SER  23   8.849 -12.424 -12.424
  154    HA   SER  23           HA       SER  23   9.746 -14.938 -14.938
  155   1HB   SER  23          1HB       SER  23   8.070 -12.584 -12.584
  156   2HB   SER  23          2HB       SER  23   8.313 -14.094 -14.094
  157    HG   SER  23           HG       SER  23   7.386 -15.106 -15.106
  158    H    ALA  24           H        ALA  24  10.574 -11.554 -11.554
  159    HA   ALA  24           HA       ALA  24  12.463 -11.974 -11.974
  160   1HB   ALA  24          2HB       ALA  24  11.293  -9.764  -9.764
  161   2HB   ALA  24          3HB       ALA  24  12.068  -9.601  -9.601
  162   3HB   ALA  24          1HB       ALA  24  13.050  -9.542  -9.542
  163    H    GLY  25           H        GLY  25  12.535 -12.276 -12.276
  164   1HA   GLY  25          1HA       GLY  25  15.576 -12.336 -12.336
  165   2HA   GLY  25          2HA       GLY  25  14.492 -12.692 -12.692
  166    H    VAL  26           H        VAL  26  12.793 -14.473 -14.473
  167    HA   VAL  26           HA       VAL  26  14.189 -17.014 -17.014
  168    HB   VAL  26           HB       VAL  26  11.443 -16.090 -16.090
  169   1HG1  VAL  26          1HG1      VAL  26  12.344 -19.048 -19.048
  170   2HG1  VAL  26          2HG1      VAL  26  10.677 -18.451 -18.451
  171   3HG1  VAL  26          3HG1      VAL  26  11.909 -17.974 -17.974
  172   1HG2  VAL  26          2HG2      VAL  26  11.716 -16.441 -16.441
  173   2HG2  VAL  26          3HG2      VAL  26  10.507 -17.525 -17.525
  174   3HG2  VAL  26          1HG2      VAL  26  12.124 -18.150 -18.150
  175    H    HIS  27           H        HIS  27  13.296 -14.828 -14.828
  176    HA   HIS  27           HA       HIS  27  14.424 -16.604 -16.604
  177   1HB   HIS  27          1HB       HIS  27  12.721 -14.440 -14.440
  178   2HB   HIS  27          2HB       HIS  27  14.203 -13.483 -13.483
  179    HD1  HIS  27           HD1      HIS  27  14.922 -12.816 -12.816
  180    HD2  HIS  27           HD2      HIS  27  12.974 -16.621 -16.621
  181    HE1  HIS  27           HE1      HIS  27  14.678 -13.916 -13.916
  182    HE2  HIS  27           HE2      HIS  27  13.503 -16.254 -16.254
  183    H    ARG  28           H        ARG  28  15.608 -13.962 -13.962
  184    HA   ARG  28           HA       ARG  28  18.176 -13.580 -13.580
  185   1HB   ARG  28          1HB       ARG  28  16.937 -12.553 -12.553
  186   2HB   ARG  28          2HB       ARG  28  18.001 -13.682 -13.682
  187   1HG   ARG  28          1HG       ARG  28  19.497 -12.062 -12.062
  188   2HG   ARG  28          2HG       ARG  28  18.630 -11.030 -11.030
  189   1HD   ARG  28          1HD       ARG  28  20.596 -13.295 -13.295
  190   2HD   ARG  28          2HD       ARG  28  20.957 -11.549 -11.549
  191    HE   ARG  28           HE       ARG  28  18.535 -12.353 -12.353
  192   1HH1  ARG  28          2HH1      ARG  28  21.938 -11.689 -11.689
  193   2HH1  ARG  28          1HH1      ARG  28  21.877 -11.405 -11.405
  194   1HH2  ARG  28          1HH2      ARG  28  18.547 -12.035 -12.035
  195   2HH2  ARG  28          2HH2      ARG  28  20.037 -11.593 -11.593
  196    H    LEU  29           H        LEU  29  17.056 -16.058 -16.058
  197    HA   LEU  29           HA       LEU  29  19.773 -17.381 -17.381
  198   1HB   LEU  29          1HB       LEU  29  17.227 -18.781 -18.781
  199   2HB   LEU  29          2HB       LEU  29  18.865 -18.950 -18.950
  200    HG   LEU  29           HG       LEU  29  16.757 -16.885 -16.885
  201   1HD1  LEU  29          2HD1      LEU  29  17.142 -18.894 -18.894
  202   2HD1  LEU  29          3HD1      LEU  29  18.848 -18.432 -18.432
  203   3HD1  LEU  29          1HD1      LEU  29  17.546 -17.399 -17.399
  204   1HD2  LEU  29          2HD2      LEU  29  19.796 -16.334 -16.334
  205   2HD2  LEU  29          3HD2      LEU  29  18.625 -15.389 -15.389
  206   3HD2  LEU  29          1HD2      LEU  29  18.506 -15.402 -15.402
  207    H    ALA  30           H        ALA  30  16.720 -17.615 -17.615
  208    HA   ALA  30           HA       ALA  30  17.687 -20.119 -20.119
  209   1HB   ALA  30          2HB       ALA  30  15.268 -19.906 -19.906
  210   2HB   ALA  30          3HB       ALA  30  15.083 -18.439 -18.439
  211   3HB   ALA  30          1HB       ALA  30  15.375 -20.013 -20.013
  212    H    ASN  31           H        ASN  31  18.914 -17.320 -17.320
  213    HA   ASN  31           HA       ASN  31  18.617 -16.416 -16.416
  214   1HB   ASN  31          1HB       ASN  31  20.192 -15.101 -15.101
  215   2HB   ASN  31          2HB       ASN  31  20.854 -16.446 -16.446
  216   1HD2  ASN  31          1HD2      ASN  31  22.836 -15.117 -15.117
  217   2HD2  ASN  31          2HD2      ASN  31  21.348 -14.262 -14.262
  218    H    GLY  32           H        GLY  32  20.212 -19.266 -19.266
  219   1HA   GLY  32          1HA       GLY  32  21.029 -20.053 -20.053
  220   2HA   GLY  32          2HA       GLY  32  21.474 -20.915 -20.915
  221    H    GLY  33           H        GLY  33  19.772 -21.986 -21.986
  222   1HA   GLY  33          1HA       GLY  33  17.407 -22.815 -22.815
  223   2HA   GLY  33          2HA       GLY  33  18.420 -24.071 -24.071
  224    H    ASN  34           H        ASN  34  18.311 -24.511 -24.511
  225    HA   ASN  34           HA       ASN  34  16.003 -23.116 -23.116
  226   1HB   ASN  34          1HB       ASN  34  17.156 -25.780 -25.780
  227   2HB   ASN  34          2HB       ASN  34  15.508 -25.208 -25.208
  228   1HD2  ASN  34          1HD2      ASN  34  14.607 -26.859 -26.859
  229   2HD2  ASN  34          2HD2      ASN  34  14.111 -25.548 -25.548
  230    H    GLY  35           H        GLY  35  18.637 -25.134 -25.134
  231   1HA   GLY  35          1HA       GLY  35  20.387 -24.593 -24.593
  232   2HA   GLY  35          2HA       GLY  35  20.223 -22.890 -22.890
  233    H    PHE  36           H        PHE  36  18.151 -25.318 -25.318
  234    HA   PHE  36           HA       PHE  36  17.911 -23.346 -23.346
  235   1HB   PHE  36          1HB       PHE  36  15.837 -25.508 -25.508
  236   2HB   PHE  36          2HB       PHE  36  15.647 -24.350 -24.350
  237    HD1  PHE  36           HD1      PHE  36  16.008 -21.739 -21.739
  238    HD2  PHE  36           HD2      PHE  36  14.580 -25.043 -25.043
  239    HE1  PHE  36           HE1      PHE  36  14.897 -20.170 -20.170
  240    HE2  PHE  36           HE2      PHE  36  13.466 -23.463 -23.463
  241    HZ   PHE  36           HZ       PHE  36  13.628 -21.023 -21.023
  242    H    TRP  37           H        TRP  37  17.489 -26.768 -26.768
  243    HA   TRP  37           HA       TRP  37  18.339 -27.542 -27.542
  244   1HB   TRP  37          2HB       TRP  37  17.908 -29.623 -29.623
  245   2HB   TRP  37          1HB       TRP  37  17.418 -29.687 -29.687
  246    HD1  TRP  37           HD1      TRP  37  15.163 -28.096 -28.096
  247    HE1  TRP  37           HE1      TRP  37  12.989 -27.441 -27.441
  248    HE3  TRP  37           HE3      TRP  37  17.068 -29.169 -29.169
  249    HZ2  TRP  37           HZ2      TRP  37  12.374 -27.488 -27.488
  250    HZ3  TRP  37           HZ3      TRP  37  15.680 -28.746 -28.746
  251    HH2  TRP  37           HH2      TRP  37  13.379 -27.888 -27.888
  252    HXT  TRP  37           HXT      TRP  37  21.270 -29.125 -29.125

  Start of MODEL   17
    1   1H    LYS   1          2H        LYS   1  17.336   5.285   5.285
    2   2H    LYS   1          3H        LYS   1  15.758   4.706   4.706
    3   3H    LYS   1          1H        LYS   1  16.885   4.038   4.038
    4    HA   LYS   1           HA       LYS   1  16.704   2.485   2.485
    5   1HB   LYS   1          1HB       LYS   1  16.412   3.008   3.008
    6   2HB   LYS   1          2HB       LYS   1  15.492   4.276   4.276
    7   1HG   LYS   1          1HG       LYS   1  17.693   5.752   5.752
    8   2HG   LYS   1          2HG       LYS   1  18.314   4.498   4.498
    9   1HD   LYS   1          1HD       LYS   1  16.679   5.033   5.033
   10   2HD   LYS   1          2HD       LYS   1  15.593   5.822   5.822
   11   1HE   LYS   1          1HE       LYS   1  16.730   7.852   7.852
   12   2HE   LYS   1          2HE       LYS   1  18.323   7.085   7.085
   13   1HZ   LYS   1          3HZ       LYS   1  17.592   6.295   6.295
   14   2HZ   LYS   1          1HZ       LYS   1  16.716   7.728   7.728
   15   3HZ   LYS   1          2HZ       LYS   1  18.384   7.750   7.750
   16    H    TYR   2           H        TYR   2  18.358   1.309   1.309
   17    HA   TYR   2           HA       TYR   2  20.959   2.737   2.737
   18   1HB   TYR   2          1HB       TYR   2  21.838   0.574   0.574
   19   2HB   TYR   2          2HB       TYR   2  21.940   2.264   2.264
   20    HD1  TYR   2           HD1      TYR   2  19.587   3.306   3.306
   21    HD2  TYR   2           HD2      TYR   2  20.806  -0.813  -0.813
   22    HE1  TYR   2           HE1      TYR   2  18.154   2.954   2.954
   23    HE2  TYR   2           HE2      TYR   2  19.379  -1.150  -1.150
   24    HH   TYR   2           HH       TYR   2  17.103   0.211   0.211
   25    H    TYR   3           H        TYR   3  18.856   0.934   0.934
   26    HA   TYR   3           HA       TYR   3  18.770  -1.309  -1.309
   27   1HB   TYR   3          1HB       TYR   3  20.564  -1.077  -1.077
   28   2HB   TYR   3          2HB       TYR   3  19.025  -0.268  -0.268
   29    HD1  TYR   3           HD2      TYR   3  21.855   1.068   1.068
   30    HD2  TYR   3           HD1      TYR   3  19.616   1.384   1.384
   31    HE1  TYR   3           HE2      TYR   3  22.828   3.285   3.285
   32    HE2  TYR   3           HE1      TYR   3  20.618   3.605   3.605
   33    HH   TYR   3           HH       TYR   3  23.206   4.712   4.712
   34    H    GLY   4           H        GLY   4  20.001  -1.821  -1.821
   35   1HA   GLY   4          1HA       GLY   4  22.111  -3.855  -3.855
   36   2HA   GLY   4          2HA       GLY   4  22.338  -3.000  -3.000
   37    H    ASN   5           H        ASN   5  19.886  -2.990  -2.990
   38    HA   ASN   5           HA       ASN   5  19.723  -5.920  -5.920
   39   1HB   ASN   5          1HB       ASN   5  19.804  -4.525  -4.525
   40   2HB   ASN   5          2HB       ASN   5  18.827  -3.259  -3.259
   41   1HD2  ASN   5          1HD2      ASN   5  15.782  -4.866  -4.866
   42   2HD2  ASN   5          2HD2      ASN   5  16.435  -3.927  -3.927
   43    H    GLY   6           H        GLY   6  17.800  -3.380  -3.380
   44   1HA   GLY   6          2HA       GLY   6  16.214  -4.501  -4.501
   45   2HA   GLY   6          1HA       GLY   6  15.484  -5.404  -5.404
   46    H    VAL   7           H        VAL   7  15.610  -2.632  -2.632
   47    HA   VAL   7           HA       VAL   7  13.444  -1.343  -1.343
   48    HB   VAL   7           HB       VAL   7  16.131  -0.115  -0.115
   49   1HG1  VAL   7          1HG1      VAL   7  13.649   1.695   1.695
   50   2HG1  VAL   7          2HG1      VAL   7  15.341   2.249   2.249
   51   3HG1  VAL   7          3HG1      VAL   7  14.599   1.550   1.550
   52   1HG2  VAL   7          2HG2      VAL   7  15.771  -0.793  -0.793
   53   2HG2  VAL   7          3HG2      VAL   7  16.086   0.938   0.938
   54   3HG2  VAL   7          1HG2      VAL   7  14.424   0.363   0.363
   55    H    HIS   8           H        HIS   8  15.316  -0.316  -0.316
   56    HA   HIS   8           HA       HIS   8  14.552   0.224   0.224
   57   1HB   HIS   8          1HB       HIS   8  13.948  -2.467  -2.467
   58   2HB   HIS   8          2HB       HIS   8  12.290  -1.880  -1.880
   59    HD1  HIS   8           HD1      HIS   8  14.938  -0.269  -0.269
   60    HD2  HIS   8           HD2      HIS   8  11.934  -3.339  -3.339
   61    HE1  HIS   8           HE1      HIS   8  14.427  -1.121  -1.121
   62    HE2  HIS   8           HE2      HIS   8  12.603  -3.005  -3.005
   63    H    CYS   9           H        CYS   9  13.879   2.169   2.169
   64    HA   CYS   9           HA       CYS   9  10.872   2.516   2.516
   65   1HB   CYS   9          1HB       CYS   9  13.248   4.424   4.424
   66   2HB   CYS   9          2HB       CYS   9  11.564   4.959   4.959
   67    H    THR  10           H        THR  10   9.708   2.894   2.894
   68    HA   THR  10           HA       THR  10  10.567   4.819   4.819
   69    HB   THR  10           HB       THR  10  11.792   2.953   2.953
   70    HG1  THR  10           HG1      THR  10  10.617   2.537   2.537
   71   1HG2  THR  10          3HG2      THR  10   9.276   1.153   1.153
   72   2HG2  THR  10          1HG2      THR  10  10.787   0.705   0.705
   73   3HG2  THR  10          2HG2      THR  10  10.786   0.944   0.944
   74    H    LYS  11           H        LYS  11   9.010   5.336   5.336
   75    HA   LYS  11           HA       LYS  11   6.745   5.822   5.822
   76   1HB   LYS  11          1HB       LYS  11   7.092   2.984   2.984
   77   2HB   LYS  11          2HB       LYS  11   5.614   3.187   3.187
   78   1HG   LYS  11          1HG       LYS  11   5.412   4.988   4.988
   79   2HG   LYS  11          2HG       LYS  11   6.038   3.458   3.458
   80   1HD   LYS  11          1HD       LYS  11   3.599   3.521   3.521
   81   2HD   LYS  11          2HD       LYS  11   3.416   3.977   3.977
   82   1HE   LYS  11          1HE       LYS  11   4.139   1.811   1.811
   83   2HE   LYS  11          2HE       LYS  11   4.909   1.368   1.368
   84   1HZ   LYS  11          3HZ       LYS  11   2.034   1.967   1.967
   85   2HZ   LYS  11          1HZ       LYS  11   2.540   0.503   0.503
   86   3HZ   LYS  11          2HZ       LYS  11   2.926   0.892   0.892
   87    H    SER  12           H        SER  12   6.820   7.286   7.286
   88    HA   SER  12           HA       SER  12   5.500   8.360   8.360
   89   1HB   SER  12          1HB       SER  12   3.665   6.015   6.015
   90   2HB   SER  12          2HB       SER  12   3.262   6.992   6.992
   91    HG   SER  12           HG       SER  12   3.578   7.849   7.849
   92    H    GLY  13           H        GLY  13   7.579   7.612   7.612
   93   1HA   GLY  13          2HA       GLY  13   8.435   7.298   7.298
   94   2HA   GLY  13          1HA       GLY  13   6.800   6.889   6.889
   95    H    CYS  14           H        CYS  14   7.700   5.289   5.289
   96    HA   CYS  14           HA       CYS  14   8.853   2.917   2.917
   97   1HB   CYS  14          1HB       CYS  14   8.637   3.276   3.276
   98   2HB   CYS  14          2HB       CYS  14   9.667   2.127   2.127
   99    H    SER  15           H        SER  15   6.753   3.192   3.192
  100    HA   SER  15           HA       SER  15   5.099   1.627   1.627
  101   1HB   SER  15          1HB       SER  15   3.093   1.607   1.607
  102   2HB   SER  15          2HB       SER  15   3.805   3.207   3.207
  103    HG   SER  15           HG       SER  15   3.220   2.417   2.417
  104    H    VAL  16           H        VAL  16   7.219   0.266   0.266
  105    HA   VAL  16           HA       VAL  16   6.604  -1.984  -1.984
  106    HB   VAL  16           HB       VAL  16   8.870  -1.347  -1.347
  107   1HG1  VAL  16          1HG1      VAL  16   9.309  -1.069  -1.069
  108   2HG1  VAL  16          2HG1      VAL  16  10.556  -0.854  -0.854
  109   3HG1  VAL  16          3HG1      VAL  16   9.209   0.267   0.267
  110   1HG2  VAL  16          2HG2      VAL  16   8.833  -3.840  -3.840
  111   2HG2  VAL  16          3HG2      VAL  16  10.372  -3.101  -3.101
  112   3HG2  VAL  16          1HG2      VAL  16   9.187  -3.532  -3.532
  113    H    ASN  17           H        ASN  17   6.420  -4.043  -4.043
  114    HA   ASN  17           HA       ASN  17   5.743  -4.649  -4.649
  115   1HB   ASN  17          2HB       ASN  17   4.590  -5.449  -5.449
  116   2HB   ASN  17          1HB       ASN  17   5.386  -6.886  -6.886
  117   1HD2  ASN  17          1HD2      ASN  17   1.991  -7.053  -7.053
  118   2HD2  ASN  17          2HD2      ASN  17   2.841  -7.195  -7.195
  119    H    TRP  18           H        TRP  18   6.123  -7.436  -7.436
  120    HA   TRP  18           HA       TRP  18   9.138  -7.669  -7.669
  121   1HB   TRP  18          2HB       TRP  18   7.729  -8.365  -8.365
  122   2HB   TRP  18          1HB       TRP  18   9.449  -8.432  -8.432
  123    HD1  TRP  18           HD1      TRP  18   6.978  -6.284  -6.284
  124    HE1  TRP  18           HE1      TRP  18   7.829  -3.809  -3.809
  125    HE3  TRP  18           HE3      TRP  18  10.885  -6.411  -6.411
  126    HZ2  TRP  18           HZ2      TRP  18   9.959  -2.265  -2.265
  127    HZ3  TRP  18           HZ3      TRP  18  12.302  -4.398  -4.398
  128    HH2  TRP  18           HH2      TRP  18  11.866  -2.364  -2.364
  129    H    GLY  19           H        GLY  19   6.129  -9.222  -9.222
  130   1HA   GLY  19          2HA       GLY  19   7.103 -11.959 -11.959
  131   2HA   GLY  19          1HA       GLY  19   5.414 -11.501 -11.501
  132    H    GLU  20           H        GLU  20   5.208  -9.418  -9.418
  133    HA   GLU  20           HA       GLU  20   4.831 -10.933 -10.933
  134   1HB   GLU  20          1HB       GLU  20   4.382  -8.111  -8.111
  135   2HB   GLU  20          2HB       GLU  20   4.569  -8.250  -8.250
  136   1HG   GLU  20          1HG       GLU  20   2.421  -9.732  -9.732
  137   2HG   GLU  20          2HG       GLU  20   2.133  -8.277  -8.277
  138    HE2  GLU  20           HE2      GLU  20   1.898 -11.812 -11.812
  139    H    ALA  21           H        ALA  21   7.334  -8.893  -8.893
  140    HA   ALA  21           HA       ALA  21   8.713  -8.702  -8.702
  141   1HB   ALA  21          2HB       ALA  21   8.904  -6.872  -6.872
  142   2HB   ALA  21          3HB       ALA  21   9.649  -8.006  -8.006
  143   3HB   ALA  21          1HB       ALA  21  10.510  -7.547  -7.547
  144    H    PHE  22           H        PHE  22   8.588 -10.963 -10.963
  145    HA   PHE  22           HA       PHE  22  11.087 -12.353 -12.353
  146   1HB   PHE  22          1HB       PHE  22  10.749 -12.859 -12.859
  147   2HB   PHE  22          2HB       PHE  22   9.013 -12.786 -12.786
  148    HD1  PHE  22           HD2      PHE  22  11.931 -15.007 -15.007
  149    HD2  PHE  22           HD1      PHE  22   7.718 -14.759 -14.759
  150    HE1  PHE  22           HE2      PHE  22  11.786 -17.468 -17.468
  151    HE2  PHE  22           HE1      PHE  22   7.580 -17.215 -17.215
  152    HZ   PHE  22           HZ       PHE  22   9.613 -18.577 -18.577
  153    H    SER  23           H        SER  23   7.622 -12.442 -12.442
  154    HA   SER  23           HA       SER  23   7.869 -14.786 -14.786
  155   1HB   SER  23          1HB       SER  23   5.757 -14.119 -14.119
  156   2HB   SER  23          2HB       SER  23   5.433 -12.901 -12.901
  157    HG   SER  23           HG       SER  23   5.498 -14.671 -14.671
  158    H    ALA  24           H        ALA  24   7.950 -11.299 -11.299
  159    HA   ALA  24           HA       ALA  24   7.988 -11.367 -11.367
  160   1HB   ALA  24          2HB       ALA  24   6.923  -9.445  -9.445
  161   2HB   ALA  24          3HB       ALA  24   8.471  -9.072  -9.072
  162   3HB   ALA  24          1HB       ALA  24   8.291  -8.853  -8.853
  163    H    GLY  25           H        GLY  25  10.220 -11.387 -11.387
  164   1HA   GLY  25          1HA       GLY  25  12.643 -10.848 -10.848
  165   2HA   GLY  25          2HA       GLY  25  12.644 -11.526 -11.526
  166    H    VAL  26           H        VAL  26  10.946 -13.562 -13.562
  167    HA   VAL  26           HA       VAL  26  12.313 -15.796 -15.796
  168    HB   VAL  26           HB       VAL  26   9.496 -15.157 -15.157
  169   1HG1  VAL  26          1HG1      VAL  26   9.770 -17.550 -17.550
  170   2HG1  VAL  26          2HG1      VAL  26   8.357 -17.205 -17.205
  171   3HG1  VAL  26          3HG1      VAL  26   8.784 -16.090 -16.090
  172   1HG2  VAL  26          2HG2      VAL  26  11.063 -16.493 -16.493
  173   2HG2  VAL  26          3HG2      VAL  26   9.555 -17.356 -17.356
  174   3HG2  VAL  26          1HG2      VAL  26  11.045 -17.828 -17.828
  175    H    HIS  27           H        HIS  27   9.604 -14.114 -14.114
  176    HA   HIS  27           HA       HIS  27   9.943 -15.628 -15.628
  177   1HB   HIS  27          1HB       HIS  27   7.685 -14.771 -14.771
  178   2HB   HIS  27          2HB       HIS  27   8.047 -13.742 -13.742
  179    HD1  HIS  27           HD1      HIS  27   9.042 -13.437 -13.437
  180    HD2  HIS  27           HD2      HIS  27   7.461 -11.426 -11.426
  181    HE1  HIS  27           HE1      HIS  27   8.505 -11.057 -11.057
  182    HE2  HIS  27           HE2      HIS  27   7.523  -9.711  -9.711
  183    H    ARG  28           H        ARG  28  11.125 -12.611 -12.611
  184    HA   ARG  28           HA       ARG  28  12.026 -11.473 -11.473
  185   1HB   ARG  28          1HB       ARG  28  12.159 -10.693 -10.693
  186   2HB   ARG  28          2HB       ARG  28  13.802 -11.279 -11.279
  187   1HG   ARG  28          1HG       ARG  28  14.101  -9.663  -9.663
  188   2HG   ARG  28          2HG       ARG  28  12.461  -9.083  -9.083
  189   1HD   ARG  28          1HD       ARG  28  13.075  -8.199  -8.199
  190   2HD   ARG  28          2HD       ARG  28  14.671  -8.990  -8.990
  191    HE   ARG  28           HE       ARG  28  14.580  -7.463  -7.463
  192   1HH1  ARG  28          2HH1      ARG  28  14.226  -6.662  -6.662
  193   2HH1  ARG  28          1HH1      ARG  28  14.864  -4.949  -4.949
  194   1HH2  ARG  28          1HH2      ARG  28  15.257  -5.597  -5.597
  195   2HH2  ARG  28          2HH2      ARG  28  15.425  -4.364  -4.364
  196    H    LEU  29           H        LEU  29  13.411 -13.876 -13.876
  197    HA   LEU  29           HA       LEU  29  15.717 -14.353 -14.353
  198   1HB   LEU  29          1HB       LEU  29  14.774 -16.298 -16.298
  199   2HB   LEU  29          2HB       LEU  29  16.392 -16.105 -16.105
  200    HG   LEU  29           HG       LEU  29  15.011 -14.635 -14.635
  201   1HD1  LEU  29          3HD2      LEU  29  17.047 -16.193 -16.193
  202   2HD1  LEU  29          1HD2      LEU  29  18.032 -14.993 -14.993
  203   3HD1  LEU  29          2HD2      LEU  29  17.274 -14.579 -14.579
  204   1HD2  LEU  29          2HD1      LEU  29  15.204 -12.804 -12.804
  205   2HD2  LEU  29          3HD1      LEU  29  16.223 -12.482 -12.482
  206   3HD2  LEU  29          1HD1      LEU  29  16.953 -13.085 -13.085
  207    H    ALA  30           H        ALA  30  12.627 -15.785 -15.785
  208    HA   ALA  30           HA       ALA  30  13.047 -18.264 -18.264
  209   1HB   ALA  30          2HB       ALA  30  11.200 -17.915 -17.915
  210   2HB   ALA  30          3HB       ALA  30  10.417 -16.720 -16.720
  211   3HB   ALA  30          1HB       ALA  30  10.506 -18.430 -18.430
  212    H    ASN  31           H        ASN  31  12.620 -15.064 -15.064
  213    HA   ASN  31           HA       ASN  31  11.052 -15.532 -15.532
  214   1HB   ASN  31          1HB       ASN  31  12.241 -13.314 -13.314
  215   2HB   ASN  31          2HB       ASN  31  13.492 -13.654 -13.654
  216   1HD2  ASN  31          1HD2      ASN  31  10.451 -13.107 -13.107
  217   2HD2  ASN  31          2HD2      ASN  31  10.957 -14.728 -14.728
  218    H    GLY  32           H        GLY  32  14.545 -15.863 -15.863
  219   1HA   GLY  32          1HA       GLY  32  14.510 -18.022 -18.022
  220   2HA   GLY  32          2HA       GLY  32  15.491 -16.595 -16.595
  221    H    GLY  33           H        GLY  33  14.834 -18.457 -18.457
  222   1HA   GLY  33          1HA       GLY  33  17.838 -18.307 -18.307
  223   2HA   GLY  33          2HA       GLY  33  16.556 -18.634 -18.634
  224    H    ASN  34           H        ASN  34  15.168 -20.597 -20.597
  225    HA   ASN  34           HA       ASN  34  15.218 -22.982 -22.982
  226   1HB   ASN  34          1HB       ASN  34  16.341 -22.180 -22.180
  227   2HB   ASN  34          2HB       ASN  34  17.579 -23.256 -23.256
  228   1HD2  ASN  34          1HD2      ASN  34  15.514 -26.138 -26.138
  229   2HD2  ASN  34          2HD2      ASN  34  16.832 -25.504 -25.504
  230    H    GLY  35           H        GLY  35  16.751 -21.487 -21.487
  231   1HA   GLY  35          1HA       GLY  35  19.302 -23.128 -23.128
  232   2HA   GLY  35          2HA       GLY  35  18.857 -21.680 -21.680
  233    H    PHE  36           H        PHE  36  16.531 -22.063 -22.063
  234    HA   PHE  36           HA       PHE  36  17.058 -24.318 -24.318
  235   1HB   PHE  36          1HB       PHE  36  14.442 -22.783 -22.783
  236   2HB   PHE  36          2HB       PHE  36  15.536 -23.221 -23.221
  237    HD1  PHE  36           HD2      PHE  36  18.008 -21.882 -21.882
  238    HD2  PHE  36           HD1      PHE  36  14.189 -20.504 -20.504
  239    HE1  PHE  36           HE2      PHE  36  18.764 -19.545 -19.545
  240    HE2  PHE  36           HE1      PHE  36  14.943 -18.175 -18.175
  241    HZ   PHE  36           HZ       PHE  36  17.227 -17.687 -17.687
  242    H    TRP  37           H        TRP  37  14.708 -23.395 -23.395
  243    HA   TRP  37           HA       TRP  37  13.780 -26.273 -26.273
  244   1HB   TRP  37          2HB       TRP  37  11.277 -25.347 -25.347
  245   2HB   TRP  37          1HB       TRP  37  12.142 -25.665 -25.665
  246    HD1  TRP  37           HD1      TRP  37  10.952 -22.693 -22.693
  247    HE1  TRP  37           HE1      TRP  37  10.790 -20.454 -20.454
  248    HE3  TRP  37           HE3      TRP  37  13.144 -24.541 -24.541
  249    HZ2  TRP  37           HZ2      TRP  37  11.583 -19.787 -19.787
  250    HZ3  TRP  37           HZ3      TRP  37  13.372 -23.076 -23.076
  251    HH2  TRP  37           HH2      TRP  37  12.620 -20.729 -20.729
  252    HXT  TRP  37           HXT      TRP  37  13.966 -24.625 -24.625

  Start of MODEL   18
    1   1H    LYS   1          3H        LYS   1  15.329  -4.308  -4.308
    2   2H    LYS   1          1H        LYS   1  15.057  -5.353  -5.353
    3   3H    LYS   1          2H        LYS   1  16.395  -4.335  -4.335
    4    HA   LYS   1           HA       LYS   1  17.392  -6.241  -6.241
    5   1HB   LYS   1          1HB       LYS   1  14.700  -6.828  -6.828
    6   2HB   LYS   1          2HB       LYS   1  16.126  -7.781  -7.781
    7   1HG   LYS   1          1HG       LYS   1  16.353  -8.363  -8.363
    8   2HG   LYS   1          2HG       LYS   1  14.882  -7.446  -7.446
    9   1HD   LYS   1          1HD       LYS   1  13.597  -9.078  -9.078
   10   2HD   LYS   1          2HD       LYS   1  15.102  -9.913  -9.913
   11   1HE   LYS   1          1HE       LYS   1  14.830  -9.550  -9.550
   12   2HE   LYS   1          2HE       LYS   1  13.499 -10.503 -10.503
   13   1HZ   LYS   1          3HZ       LYS   1  16.185 -11.123 -11.123
   14   2HZ   LYS   1          1HZ       LYS   1  15.817 -11.569 -11.569
   15   3HZ   LYS   1          2HZ       LYS   1  14.881 -12.140 -12.140
   16    H    TYR   2           H        TYR   2  18.566  -6.896  -6.896
   17    HA   TYR   2           HA       TYR   2  18.155  -5.298  -5.298
   18   1HB   TYR   2          1HB       TYR   2  21.005  -5.141  -5.141
   19   2HB   TYR   2          2HB       TYR   2  20.127  -3.989  -3.989
   20    HD1  TYR   2           HD1      TYR   2  20.526  -5.148  -5.148
   21    HD2  TYR   2           HD2      TYR   2  19.124  -2.050  -2.050
   22    HE1  TYR   2           HE1      TYR   2  20.251  -3.624  -3.624
   23    HE2  TYR   2           HE2      TYR   2  18.849  -0.545  -0.545
   24    HH   TYR   2           HH       TYR   2  18.459  -1.136  -1.136
   25    H    TYR   3           H        TYR   3  18.060  -8.049  -8.049
   26    HA   TYR   3           HA       TYR   3  20.494  -9.135  -9.135
   27   1HB   TYR   3          2HB       TYR   3  18.222 -10.723 -10.723
   28   2HB   TYR   3          1HB       TYR   3  19.692 -11.401 -11.401
   29    HD1  TYR   3           HD2      TYR   3  20.005  -8.187  -8.187
   30    HD2  TYR   3           HD1      TYR   3  20.003 -12.460 -12.460
   31    HE1  TYR   3           HE2      TYR   3  21.059  -7.945  -7.945
   32    HE2  TYR   3           HE1      TYR   3  21.059 -12.203 -12.203
   33    HH   TYR   3           HH       TYR   3  21.164 -10.361 -10.361
   34    H    GLY   4           H        GLY   4  18.751  -7.652  -7.652
   35   1HA   GLY   4          1HA       GLY   4  18.096  -8.991  -8.991
   36   2HA   GLY   4          2HA       GLY   4  16.805  -9.641  -9.641
   37    H    ASN   5           H        ASN   5  16.995  -7.809  -7.809
   38    HA   ASN   5           HA       ASN   5  16.012  -5.190  -5.190
   39   1HB   ASN   5          1HB       ASN   5  15.369  -7.159  -7.159
   40   2HB   ASN   5          2HB       ASN   5  14.514  -5.636  -5.636
   41   1HD2  ASN   5          1HD2      ASN   5  17.175  -4.504  -4.504
   42   2HD2  ASN   5          2HD2      ASN   5  15.361  -4.760  -4.760
   43    H    GLY   6           H        GLY   6  13.660  -4.722  -4.722
   44   1HA   GLY   6          1HA       GLY   6  11.235  -5.345  -5.345
   45   2HA   GLY   6          2HA       GLY   6  11.835  -5.911  -5.911
   46    H    VAL   7           H        VAL   7  13.708  -3.310  -3.310
   47    HA   VAL   7           HA       VAL   7  12.014  -1.408  -1.408
   48    HB   VAL   7           HB       VAL   7  14.874  -1.419  -1.419
   49   1HG1  VAL   7          2HG2      VAL   7  13.890   0.890   0.890
   50   2HG1  VAL   7          3HG2      VAL   7  13.643   1.195   1.195
   51   3HG1  VAL   7          1HG2      VAL   7  15.293   0.955   0.955
   52   1HG2  VAL   7          3HG1      VAL   7  14.372  -2.160  -2.160
   53   2HG2  VAL   7          1HG1      VAL   7  15.643  -0.931  -0.931
   54   3HG2  VAL   7          2HG1      VAL   7  14.013  -0.479  -0.479
   55    H    HIS   8           H        HIS   8  13.874  -0.947  -0.947
   56    HA   HIS   8           HA       HIS   8  13.253   0.117   0.117
   57   1HB   HIS   8          1HB       HIS   8  11.361  -2.020  -2.020
   58   2HB   HIS   8          2HB       HIS   8  10.319  -0.680  -0.680
   59    HD1  HIS   8           HD1      HIS   8   9.665  -1.120  -1.120
   60    HD2  HIS   8           HD2      HIS   8  13.748  -1.865  -1.865
   61    HE1  HIS   8           HE1      HIS   8  10.972  -1.800  -1.800
   62    HE2  HIS   8           HE2      HIS   8  13.486  -2.295  -2.295
   63    H    CYS   9           H        CYS   9  13.610   2.073   2.073
   64    HA   CYS   9           HA       CYS   9  11.103   3.684   3.684
   65   1HB   CYS   9          1HB       CYS   9  14.095   4.080   4.080
   66   2HB   CYS   9          2HB       CYS   9  13.176   5.553   5.553
   67    H    THR  10           H        THR  10  10.189   3.171   3.171
   68    HA   THR  10           HA       THR  10  11.500   4.390   4.390
   69    HB   THR  10           HB       THR  10   9.797   3.322   3.322
   70    HG1  THR  10           HG1      THR  10   7.879   2.581   2.581
   71   1HG2  THR  10          3HG2      THR  10  10.026   1.448   1.448
   72   2HG2  THR  10          1HG2      THR  10   9.456   0.966   0.966
   73   3HG2  THR  10          2HG2      THR  10  11.135   1.452   1.452
   74    H    LYS  11           H        LYS  11   9.271   5.174   5.174
   75    HA   LYS  11           HA       LYS  11   8.609   7.759   7.759
   76   1HB   LYS  11          1HB       LYS  11   8.035   7.083   7.083
   77   2HB   LYS  11          2HB       LYS  11   8.017   8.677   8.677
   78   1HG   LYS  11          1HG       LYS  11  10.631   8.011   8.011
   79   2HG   LYS  11          2HG       LYS  11  10.405   6.936   6.936
   80   1HD   LYS  11          1HD       LYS  11  11.399   9.051   9.051
   81   2HD   LYS  11          2HD       LYS  11   9.749   8.978   8.978
   82   1HE   LYS  11          1HE       LYS  11   8.971  10.729  10.729
   83   2HE   LYS  11          2HE       LYS  11   9.874  10.193  10.193
   84   1HZ   LYS  11          1HZ       LYS  11  11.281  11.340  11.340
   85   2HZ   LYS  11          2HZ       LYS  11  10.626  12.313  12.313
   86   3HZ   LYS  11          3HZ       LYS  11  11.820  11.192  11.192
   87    H    SER  12           H        SER  12   7.434   5.470   5.470
   88    HA   SER  12           HA       SER  12   4.566   6.390   6.390
   89   1HB   SER  12          1HB       SER  12   4.936   4.303   4.303
   90   2HB   SER  12          2HB       SER  12   5.355   3.392   3.392
   91    HG   SER  12           HG       SER  12   3.231   3.894   3.894
   92    H    GLY  13           H        GLY  13   6.679   4.239   4.239
   93   1HA   GLY  13          2HA       GLY  13   6.065   5.653   5.653
   94   2HA   GLY  13          1HA       GLY  13   5.066   4.189   4.189
   95    H    CYS  14           H        CYS  14   7.388   5.118   5.118
   96    HA   CYS  14           HA       CYS  14   9.457   3.007   3.007
   97   1HB   CYS  14          1HB       CYS  14   9.059   5.066   5.066
   98   2HB   CYS  14          2HB       CYS  14  10.337   3.847   3.847
   99    H    SER  15           H        SER  15   7.306   3.688   3.688
  100    HA   SER  15           HA       SER  15   6.282   2.168   2.168
  101   1HB   SER  15          1HB       SER  15   6.533   0.514   0.514
  102   2HB   SER  15          2HB       SER  15   6.482  -0.462  -0.462
  103    HG   SER  15           HG       SER  15   4.554   0.840   0.840
  104    H    VAL  16           H        VAL  16   8.087   2.843   2.843
  105    HA   VAL  16           HA       VAL  16   9.746   0.427   0.427
  106    HB   VAL  16           HB       VAL  16  10.923   3.116   3.116
  107   1HG1  VAL  16          2HG2      VAL  16  12.437   0.851   0.851
  108   2HG1  VAL  16          3HG2      VAL  16  13.232   2.148   2.148
  109   3HG1  VAL  16          1HG2      VAL  16  12.254   2.537   2.537
  110   1HG2  VAL  16          1HG1      VAL  16  10.663   1.505   1.505
  111   2HG2  VAL  16          2HG1      VAL  16  12.387   1.759   1.759
  112   3HG2  VAL  16          3HG1      VAL  16  11.603   0.275   0.275
  113    H    ASN  17           H        ASN  17  10.870   0.646   0.646
  114    HA   ASN  17           HA       ASN  17   9.497   2.658   2.658
  115   1HB   ASN  17          2HB       ASN  17   9.848  -0.081  -0.081
  116   2HB   ASN  17          1HB       ASN  17  11.354   0.461   0.461
  117   1HD2  ASN  17          1HD2      ASN  17   8.854   0.261   0.261
  118   2HD2  ASN  17          2HD2      ASN  17   9.449  -0.924  -0.924
  119    H    TRP  18           H        TRP  18  10.400   4.437   4.437
  120    HA   TRP  18           HA       TRP  18  13.400   4.645   4.645
  121   1HB   TRP  18          2HB       TRP  18  11.177   6.785   6.785
  122   2HB   TRP  18          1HB       TRP  18  12.858   7.192   7.192
  123    HD1  TRP  18           HD1      TRP  18   9.849   7.234   7.234
  124    HE1  TRP  18           HE1      TRP  18  10.084   6.760   6.760
  125    HE3  TRP  18           HE3      TRP  18  14.498   5.162   5.162
  126    HZ2  TRP  18           HZ2      TRP  18  12.141   5.579   5.579
  127    HZ3  TRP  18           HZ3      TRP  18  15.624   4.512   4.512
  128    HH2  TRP  18           HH2      TRP  18  14.419   4.600   4.600
  129    H    GLY  19           H        GLY  19  10.984   4.945   4.945
  130   1HA   GLY  19          2HA       GLY  19  12.924   5.985   5.985
  131   2HA   GLY  19          1HA       GLY  19  11.322   5.299   5.299
  132    H    GLU  20           H        GLU  20  11.680   2.859   2.859
  133    HA   GLU  20           HA       GLU  20  13.133   1.289   1.289
  134   1HB   GLU  20          1HB       GLU  20  11.542  -0.067  -0.067
  135   2HB   GLU  20          2HB       GLU  20  11.558   0.833   0.833
  136   1HG   GLU  20          1HG       GLU  20  12.396  -1.177  -1.177
  137   2HG   GLU  20          2HG       GLU  20  13.934  -0.485  -0.485
  138    HE1  GLU  20           HE2      GLU  20  14.118  -2.646  -2.646
  139    H    ALA  21           H        ALA  21  13.930   2.559   2.559
  140    HA   ALA  21           HA       ALA  21  16.573   1.162   1.162
  141   1HB   ALA  21          2HB       ALA  21  15.352   1.879   1.879
  142   2HB   ALA  21          3HB       ALA  21  15.473   3.588   3.588
  143   3HB   ALA  21          1HB       ALA  21  16.940   2.666   2.666
  144    H    PHE  22           H        PHE  22  15.339   4.116   4.116
  145    HA   PHE  22           HA       PHE  22  18.071   5.205   5.205
  146   1HB   PHE  22          1HB       PHE  22  15.272   6.003   6.003
  147   2HB   PHE  22          2HB       PHE  22  16.062   6.007   6.007
  148    HD1  PHE  22           HD1      PHE  22  18.609   7.159   7.159
  149    HD2  PHE  22           HD2      PHE  22  15.208   8.109   8.109
  150    HE1  PHE  22           HE1      PHE  22  19.508   9.418   9.418
  151    HE2  PHE  22           HE2      PHE  22  16.107  10.376  10.376
  152    HZ   PHE  22           HZ       PHE  22  18.251  11.041  11.041
  153    H    SER  23           H        SER  23  15.785   3.066   3.066
  154    HA   SER  23           HA       SER  23  17.506   2.727   2.727
  155   1HB   SER  23          1HB       SER  23  15.090   1.248   1.248
  156   2HB   SER  23          2HB       SER  23  16.020   0.454   0.454
  157    HG   SER  23           HG       SER  23  14.671   2.965   2.965
  158    H    ALA  24           H        ALA  24  17.252   1.284   1.284
  159    HA   ALA  24           HA       ALA  24  19.305  -0.808  -0.808
  160   1HB   ALA  24          2HB       ALA  24  17.441  -1.281  -1.281
  161   2HB   ALA  24          3HB       ALA  24  18.014   0.027   0.027
  162   3HB   ALA  24          1HB       ALA  24  19.012  -1.426  -1.426
  163    H    GLY  25           H        GLY  25  19.239   2.429   2.429
  164   1HA   GLY  25          1HA       GLY  25  22.109   2.263   2.263
  165   2HA   GLY  25          2HA       GLY  25  21.120   3.732   3.732
  166    H    VAL  26           H        VAL  26  20.200   3.673   3.673
  167    HA   VAL  26           HA       VAL  26  22.342   4.582   4.582
  168    HB   VAL  26           HB       VAL  26  19.581   3.370   3.370
  169   1HG1  VAL  26          1HG1      VAL  26  21.438   4.210   4.210
  170   2HG1  VAL  26          2HG1      VAL  26  19.695   3.867   3.867
  171   3HG1  VAL  26          3HG1      VAL  26  20.801   2.575   2.575
  172   1HG2  VAL  26          2HG2      VAL  26  19.712   5.811   5.811
  173   2HG2  VAL  26          3HG2      VAL  26  19.008   5.606   5.606
  174   3HG2  VAL  26          1HG2      VAL  26  20.694   6.163   6.163
  175    H    HIS  27           H        HIS  27  21.025   1.330   1.330
  176    HA   HIS  27           HA       HIS  27  22.931   0.164   0.164
  177   1HB   HIS  27          1HB       HIS  27  20.591  -0.774  -0.774
  178   2HB   HIS  27          2HB       HIS  27  21.624  -1.286  -1.286
  179    HD1  HIS  27           HD1      HIS  27  21.879  -3.901  -3.901
  180    HD2  HIS  27           HD2      HIS  27  22.257  -1.449  -1.449
  181    HE1  HIS  27           HE1      HIS  27  22.481  -5.365  -5.365
  182    HE2  HIS  27           HE2      HIS  27  22.745  -3.992  -3.992
  183    H    ARG  28           H        ARG  28  22.915   0.741   0.741
  184    HA   ARG  28           HA       ARG  28  25.331  -0.690  -0.690
  185   1HB   ARG  28          1HB       ARG  28  23.621   0.811   0.811
  186   2HB   ARG  28          2HB       ARG  28  24.713   2.133   2.133
  187   1HG   ARG  28          1HG       ARG  28  26.373   1.332   1.332
  188   2HG   ARG  28          2HG       ARG  28  26.085  -0.354  -0.354
  189   1HD   ARG  28          1HD       ARG  28  24.302  -0.578  -0.578
  190   2HD   ARG  28          2HD       ARG  28  23.932   1.165   1.165
  191    HE   ARG  28           HE       ARG  28  26.693   0.624   0.624
  192   1HH1  ARG  28          2HH1      ARG  28  23.404   0.717   0.717
  193   2HH1  ARG  28          1HH1      ARG  28  23.918   0.999   0.999
  194   1HH2  ARG  28          1HH2      ARG  28  27.172   0.934   0.934
  195   2HH2  ARG  28          2HH2      ARG  28  25.965   1.120   1.120
  196    H    LEU  29           H        LEU  29  24.888   2.488   2.488
  197    HA   LEU  29           HA       LEU  29  27.837   2.955   2.955
  198   1HB   LEU  29          1HB       LEU  29  25.869   4.391   4.391
  199   2HB   LEU  29          2HB       LEU  29  27.312   5.019   5.019
  200    HG   LEU  29           HG       LEU  29  24.500   4.724   4.724
  201   1HD1  LEU  29          3HD2      LEU  29  25.376   6.934   6.934
  202   2HD1  LEU  29          1HD2      LEU  29  26.559   7.015   7.015
  203   3HD1  LEU  29          2HD2      LEU  29  24.814   7.075   7.075
  204   1HD2  LEU  29          2HD1      LEU  29  26.034   3.531   3.531
  205   2HD2  LEU  29          3HD1      LEU  29  25.323   5.010   5.010
  206   3HD2  LEU  29          1HD1      LEU  29  27.014   5.003   5.003
  207    H    ALA  30           H        ALA  30  25.352   1.688   1.688
  208    HA   ALA  30           HA       ALA  30  27.278   1.681   1.681
  209   1HB   ALA  30          2HB       ALA  30  24.834   2.237   2.237
  210   2HB   ALA  30          3HB       ALA  30  24.360   0.641   0.641
  211   3HB   ALA  30          1HB       ALA  30  25.251   0.771   0.771
  212    H    ASN  31           H        ASN  31  25.096  -0.918  -0.918
  213    HA   ASN  31           HA       ASN  31  25.494  -3.264  -3.264
  214   1HB   ASN  31          1HB       ASN  31  26.341  -3.063  -3.063
  215   2HB   ASN  31          2HB       ASN  31  27.706  -2.085  -2.085
  216   1HD2  ASN  31          1HD2      ASN  31  29.815  -4.953  -4.953
  217   2HD2  ASN  31          2HD2      ASN  31  29.668  -3.139  -3.139
  218    H    GLY  32           H        GLY  32  26.625  -1.427  -1.427
  219   1HA   GLY  32          1HA       GLY  32  29.261  -2.548  -2.548
  220   2HA   GLY  32          2HA       GLY  32  28.197  -1.549  -1.549
  221    H    GLY  33           H        GLY  33  25.901  -3.001  -3.001
  222   1HA   GLY  33          1HA       GLY  33  25.680  -5.720  -5.720
  223   2HA   GLY  33          2HA       GLY  33  26.797  -5.393  -5.393
  224    H    ASN  34           H        ASN  34  25.746  -2.754  -2.754
  225    HA   ASN  34           HA       ASN  34  23.313  -3.770  -3.770
  226   1HB   ASN  34          1HB       ASN  34  25.539  -1.737  -1.737
  227   2HB   ASN  34          2HB       ASN  34  23.991  -1.412  -1.412
  228   1HD2  ASN  34          1HD2      ASN  34  26.353  -4.303  -4.303
  229   2HD2  ASN  34          2HD2      ASN  34  26.867  -3.309  -3.309
  230    H    GLY  35           H        GLY  35  24.344  -0.483  -0.483
  231   1HA   GLY  35          1HA       GLY  35  21.564  -0.063  -0.063
  232   2HA   GLY  35          2HA       GLY  35  22.216   1.078   1.078
  233    H    PHE  36           H        PHE  36  24.456   1.872   1.872
  234    HA   PHE  36           HA       PHE  36  24.949   2.264   2.264
  235   1HB   PHE  36          1HB       PHE  36  23.173   4.065   4.065
  236   2HB   PHE  36          2HB       PHE  36  24.696   4.880   4.880
  237    HD1  PHE  36           HD1      PHE  36  26.215   4.908   4.908
  238    HD2  PHE  36           HD2      PHE  36  21.927   4.731   4.731
  239    HE1  PHE  36           HE1      PHE  36  26.063   5.888   5.888
  240    HE2  PHE  36           HE2      PHE  36  21.782   5.717   5.717
  241    HZ   PHE  36           HZ       PHE  36  23.849   6.292   6.292
  242    H    TRP  37           H        TRP  37  25.573   3.506   3.506
  243    HA   TRP  37           HA       TRP  37  28.443   4.090   4.090
  244   1HB   TRP  37          1HB       TRP  37  28.528   4.697   4.697
  245   2HB   TRP  37          2HB       TRP  37  27.510   5.697   5.697
  246    HD1  TRP  37           HD1      TRP  37  27.255   2.872   2.872
  247    HE1  TRP  37           HE1      TRP  37  24.845   2.837   2.837
  248    HE3  TRP  37           HE3      TRP  37  25.137   6.313   6.313
  249    HZ2  TRP  37           HZ2      TRP  37  22.437   4.246   4.246
  250    HZ3  TRP  37           HZ3      TRP  37  22.761   6.926   6.926
  251    HH2  TRP  37           HH2      TRP  37  21.421   5.892   5.892
  252    HXT  TRP  37           HXT      TRP  37  29.203   1.566   1.566

  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1  17.562  -8.912  -8.912
    2   2H    LYS   1          2H        LYS   1  18.776  -9.647  -9.647
    3   3H    LYS   1          3H        LYS   1  17.386 -10.507 -10.507
    4    HA   LYS   1           HA       LYS   1  16.036  -9.329  -9.329
    5   1HB   LYS   1          1HB       LYS   1  17.334 -10.927 -10.927
    6   2HB   LYS   1          2HB       LYS   1  18.815  -9.992  -9.992
    7   1HG   LYS   1          1HG       LYS   1  18.028  -8.313  -8.313
    8   2HG   LYS   1          2HG       LYS   1  16.360  -8.868  -8.868
    9   1HD   LYS   1          1HD       LYS   1  18.659  -9.838  -9.838
   10   2HD   LYS   1          2HD       LYS   1  16.918  -9.901  -9.901
   11   1HE   LYS   1          1HE       LYS   1  18.402 -11.786 -11.786
   12   2HE   LYS   1          2HE       LYS   1  17.876 -12.244 -12.244
   13   1HZ   LYS   1          2HZ       LYS   1  15.612 -11.208 -11.208
   14   2HZ   LYS   1          3HZ       LYS   1  16.299 -11.881 -11.881
   15   3HZ   LYS   1          1HZ       LYS   1  16.016 -12.841 -12.841
   16    H    TYR   2           H        TYR   2  15.540  -7.636  -7.636
   17    HA   TYR   2           HA       TYR   2  17.380  -5.280  -5.280
   18   1HB   TYR   2          1HB       TYR   2  15.726  -3.723  -3.723
   19   2HB   TYR   2          2HB       TYR   2  16.714  -4.737  -4.737
   20    HD1  TYR   2           HD2      TYR   2  13.983  -6.512  -6.512
   21    HD2  TYR   2           HD1      TYR   2  15.048  -4.257  -4.257
   22    HE1  TYR   2           HE2      TYR   2  12.005  -7.384  -7.384
   23    HE2  TYR   2           HE1      TYR   2  13.059  -5.145  -5.145
   24    HH   TYR   2           HH       TYR   2  11.577  -7.111  -7.111
   25    H    TYR   3           H        TYR   3  16.211  -6.782  -6.782
   26    HA   TYR   3           HA       TYR   3  13.587  -5.755  -5.755
   27   1HB   TYR   3          2HB       TYR   3  15.924  -7.125  -7.125
   28   2HB   TYR   3          1HB       TYR   3  14.630  -6.460  -6.460
   29    HD1  TYR   3           HD2      TYR   3  13.604  -7.786  -7.786
   30    HD2  TYR   3           HD1      TYR   3  14.367  -8.866  -8.866
   31    HE1  TYR   3           HE2      TYR   3  12.402  -9.903  -9.903
   32    HE2  TYR   3           HE1      TYR   3  13.152 -10.988 -10.988
   33    HH   TYR   3           HH       TYR   3  12.677 -12.451 -12.451
   34    H    GLY   4           H        GLY   4  16.584  -4.299  -4.299
   35   1HA   GLY   4          2HA       GLY   4  17.467  -2.404  -2.404
   36   2HA   GLY   4          1HA       GLY   4  15.960  -1.692  -1.692
   37    H    ASN   5           H        ASN   5  16.441  -4.185  -4.185
   38    HA   ASN   5           HA       ASN   5  15.815  -4.187  -4.187
   39   1HB   ASN   5          1HB       ASN   5  17.122  -2.034  -2.034
   40   2HB   ASN   5          2HB       ASN   5  15.754  -1.098  -1.098
   41   1HD2  ASN   5          1HD2      ASN   5  14.694  -0.710  -0.710
   42   2HD2  ASN   5          2HD2      ASN   5  14.933   0.014   0.014
   43    H    GLY   6           H        GLY   6  13.933  -1.274  -1.274
   44   1HA   GLY   6          2HA       GLY   6  11.394  -2.704  -2.704
   45   2HA   GLY   6          1HA       GLY   6  11.527  -1.051  -1.051
   46    H    VAL   7           H        VAL   7  12.126  -0.822  -0.822
   47    HA   VAL   7           HA       VAL   7  11.048  -3.129  -3.129
   48    HB   VAL   7           HB       VAL   7   9.145  -1.549  -1.549
   49   1HG1  VAL   7          1HG1      VAL   7  10.373   0.529   0.529
   50   2HG1  VAL   7          2HG1      VAL   7   8.736   0.600   0.600
   51   3HG1  VAL   7          3HG1      VAL   7  10.135   0.742   0.742
   52   1HG2  VAL   7          2HG2      VAL   7   8.903  -3.004  -3.004
   53   2HG2  VAL   7          3HG2      VAL   7   7.990  -1.497  -1.497
   54   3HG2  VAL   7          1HG2      VAL   7   9.534  -1.682  -1.682
   55    H    HIS   8           H        HIS   8  12.080   0.237   0.237
   56    HA   HIS   8           HA       HIS   8  14.190   0.698   0.698
   57   1HB   HIS   8          2HB       HIS   8  14.066  -1.208  -1.208
   58   2HB   HIS   8          1HB       HIS   8  12.387  -0.848  -0.848
   59    HD1  HIS   8           HD1      HIS   8  15.222   1.910   1.910
   60    HD2  HIS   8           HD2      HIS   8  12.673  -0.527  -0.527
   61    HE1  HIS   8           HE1      HIS   8  15.391   2.702   2.702
   62    HE2  HIS   8           HE2      HIS   8  13.892   1.287   1.287
   63    H    CYS   9           H        CYS   9  13.368   2.478   2.478
   64    HA   CYS   9           HA       CYS   9  10.848   3.737   3.737
   65   1HB   CYS   9          1HB       CYS   9  11.830   4.286   4.286
   66   2HB   CYS   9          2HB       CYS   9  13.367   4.788   4.788
   67    H    THR  10           H        THR  10  10.606   3.838   3.838
   68    HA   THR  10           HA       THR  10  11.438   6.394   6.394
   69    HB   THR  10           HB       THR  10  13.594   4.836   4.836
   70    HG1  THR  10           HG1      THR  10  14.018   5.844   5.844
   71   1HG2  THR  10          3HG2      THR  10  11.992   3.864   3.864
   72   2HG2  THR  10          1HG2      THR  10  13.735   3.616   3.616
   73   3HG2  THR  10          2HG2      THR  10  12.567   2.822   2.822
   74    H    LYS  11           H        LYS  11   9.107   4.753   4.753
   75    HA   LYS  11           HA       LYS  11   7.992   4.832   4.832
   76   1HB   LYS  11          1HB       LYS  11   7.453   2.511   2.511
   77   2HB   LYS  11          2HB       LYS  11   9.056   2.471   2.471
   78   1HG   LYS  11          1HG       LYS  11   8.101   2.067   2.067
   79   2HG   LYS  11          2HG       LYS  11   6.466   2.392   2.392
   80   1HD   LYS  11          1HD       LYS  11   8.275  -0.035  -0.035
   81   2HD   LYS  11          2HD       LYS  11   6.615   0.017   0.017
   82   1HE   LYS  11          1HE       LYS  11   5.902   0.948   0.948
   83   2HE   LYS  11          2HE       LYS  11   7.507   0.464   0.464
   84   1HZ   LYS  11          1HZ       LYS  11   5.969  -1.499  -1.499
   85   2HZ   LYS  11          2HZ       LYS  11   5.504  -1.191  -1.191
   86   3HZ   LYS  11          3HZ       LYS  11   7.062  -1.732  -1.732
   87    H    SER  12           H        SER  12   7.656   6.348   6.348
   88    HA   SER  12           HA       SER  12   5.719   7.561   7.561
   89   1HB   SER  12          1HB       SER  12   3.912   7.262   7.262
   90   2HB   SER  12          2HB       SER  12   4.466   5.677   5.677
   91    HG   SER  12           HG       SER  12   3.293   4.736   4.736
   92    H    GLY  13           H        GLY  13   6.123   4.179   4.179
   93   1HA   GLY  13          1HA       GLY  13   5.418   5.036   5.036
   94   2HA   GLY  13          2HA       GLY  13   4.935   3.448   3.448
   95    H    CYS  14           H        CYS  14   7.024   4.966   4.966
   96    HA   CYS  14           HA       CYS  14   9.490   3.391   3.391
   97   1HB   CYS  14          1HB       CYS  14   9.070   5.442   5.442
   98   2HB   CYS  14          2HB       CYS  14  10.629   4.788   4.788
   99    H    SER  15           H        SER  15   7.731   4.014   4.014
  100    HA   SER  15           HA       SER  15   8.443   1.224   1.224
  101   1HB   SER  15          1HB       SER  15   7.457   3.748   3.748
  102   2HB   SER  15          2HB       SER  15   6.658   2.325   2.325
  103    HG   SER  15           HG       SER  15   9.100   1.560   1.560
  104    H    VAL  16           H        VAL  16   7.286   0.760   0.760
  105    HA   VAL  16           HA       VAL  16   4.403   0.847   0.847
  106    HB   VAL  16           HB       VAL  16   5.012   0.055   0.055
  107   1HG1  VAL  16          1HG1      VAL  16   7.676  -1.098  -1.098
  108   2HG1  VAL  16          2HG1      VAL  16   7.197  -0.992  -0.992
  109   3HG1  VAL  16          3HG1      VAL  16   7.443   0.480   0.480
  110   1HG2  VAL  16          2HG2      VAL  16   3.983  -2.121  -2.121
  111   2HG2  VAL  16          3HG2      VAL  16   5.239  -2.379  -2.379
  112   3HG2  VAL  16          1HG2      VAL  16   5.584  -2.713  -2.713
  113    H    ASN  17           H        ASN  17   2.792  -0.090  -0.090
  114    HA   ASN  17           HA       ASN  17   3.181  -2.549  -2.549
  115   1HB   ASN  17          1HB       ASN  17   1.560  -0.233  -0.233
  116   2HB   ASN  17          2HB       ASN  17   0.406  -1.394  -1.394
  117   1HD2  ASN  17          1HD2      ASN  17   0.706  -1.427  -1.427
  118   2HD2  ASN  17          2HD2      ASN  17   0.615  -0.033  -0.033
  119    H    TRP  18           H        TRP  18   0.389  -3.381  -3.381
  120    HA   TRP  18           HA       TRP  18   0.501  -4.146  -4.146
  121   1HB   TRP  18          2HB       TRP  18  -0.008  -6.202  -6.202
  122   2HB   TRP  18          1HB       TRP  18   0.038  -6.565  -6.565
  123    HD1  TRP  18           HD1      TRP  18   2.155  -6.908  -6.908
  124    HE1  TRP  18           HE1      TRP  18   4.768  -7.032  -7.032
  125    HE3  TRP  18           HE3      TRP  18   1.936  -5.231  -5.231
  126    HZ2  TRP  18           HZ2      TRP  18   6.358  -6.275  -6.275
  127    HZ3  TRP  18           HZ3      TRP  18   4.013  -5.171  -5.171
  128    HH2  TRP  18           HH2      TRP  18   6.195  -5.697  -5.697
  129    H    GLY  19           H        GLY  19  -1.328  -4.263  -4.263
  130   1HA   GLY  19          2HA       GLY  19  -3.958  -4.285  -4.285
  131   2HA   GLY  19          1HA       GLY  19  -3.721  -3.943  -3.943
  132    H    GLU  20           H        GLU  20  -1.885  -1.930  -1.930
  133    HA   GLU  20           HA       GLU  20  -3.566   0.407   0.407
  134   1HB   GLU  20          1HB       GLU  20  -0.583   0.315   0.315
  135   2HB   GLU  20          2HB       GLU  20  -1.598   1.736   1.736
  136   1HG   GLU  20          1HG       GLU  20  -2.309  -0.677  -0.677
  137   2HG   GLU  20          2HG       GLU  20  -1.063   0.437   0.437
  138    HE1  GLU  20           HE2      GLU  20  -4.751   1.990   1.990
  139    H    ALA  21           H        ALA  21  -1.024  -1.473  -1.473
  140    HA   ALA  21           HA       ALA  21  -0.534   0.588   0.588
  141   1HB   ALA  21          2HB       ALA  21   1.208  -1.119  -1.119
  142   2HB   ALA  21          3HB       ALA  21   0.151  -2.446  -2.446
  143   3HB   ALA  21          1HB       ALA  21   0.822  -1.300  -1.300
  144    H    PHE  22           H        PHE  22  -2.753  -2.065  -2.065
  145    HA   PHE  22           HA       PHE  22  -3.781  -1.889  -1.889
  146   1HB   PHE  22          1HB       PHE  22  -4.056  -3.932  -3.932
  147   2HB   PHE  22          2HB       PHE  22  -5.181  -2.984  -2.984
  148    HD1  PHE  22           HD2      PHE  22  -4.692  -4.539  -4.539
  149    HD2  PHE  22           HD1      PHE  22  -7.483  -2.825  -2.825
  150    HE1  PHE  22           HE2      PHE  22  -6.571  -5.408  -5.408
  151    HE2  PHE  22           HE1      PHE  22  -9.352  -3.702  -3.702
  152    HZ   PHE  22           HZ       PHE  22  -8.904  -4.996  -4.996
  153    H    SER  23           H        SER  23  -4.472  -0.457  -0.457
  154    HA   SER  23           HA       SER  23  -6.741   1.144   1.144
  155   1HB   SER  23          1HB       SER  23  -6.748   0.745   0.745
  156   2HB   SER  23          2HB       SER  23  -5.111   1.341   1.341
  157    HG   SER  23           HG       SER  23  -7.339   2.909   2.909
  158    H    ALA  24           H        ALA  24  -3.276   1.448   1.448
  159    HA   ALA  24           HA       ALA  24  -3.379   4.274   4.274
  160   1HB   ALA  24          2HB       ALA  24  -1.553   3.501   3.501
  161   2HB   ALA  24          3HB       ALA  24  -1.027   2.273   2.273
  162   3HB   ALA  24          1HB       ALA  24  -0.844   4.004   4.004
  163    H    GLY  25           H        GLY  25  -3.275   1.051   1.051
  164   1HA   GLY  25          1HA       GLY  25  -2.485   2.034   2.034
  165   2HA   GLY  25          2HA       GLY  25  -2.998   0.388   0.388
  166    H    VAL  26           H        VAL  26  -5.270   0.784   0.784
  167    HA   VAL  26           HA       VAL  26  -7.315   1.299   1.299
  168    HB   VAL  26           HB       VAL  26  -7.285   1.363   1.363
  169   1HG1  VAL  26          1HG1      VAL  26  -9.883   1.949   1.949
  170   2HG1  VAL  26          2HG1      VAL  26  -9.790   1.575   1.575
  171   3HG1  VAL  26          3HG1      VAL  26  -9.071   3.056   3.056
  172   1HG2  VAL  26          2HG2      VAL  26  -7.367  -0.901  -0.901
  173   2HG2  VAL  26          3HG2      VAL  26  -8.792  -0.612  -0.612
  174   3HG2  VAL  26          1HG2      VAL  26  -8.910  -0.459  -0.459
  175    H    HIS  27           H        HIS  27  -5.796   3.465   3.465
  176    HA   HIS  27           HA       HIS  27  -7.375   5.816   5.816
  177   1HB   HIS  27          1HB       HIS  27  -5.418   5.165   5.165
  178   2HB   HIS  27          2HB       HIS  27  -4.492   6.215   6.215
  179    HD1  HIS  27           HD1      HIS  27  -4.448   8.315   8.315
  180    HD2  HIS  27           HD2      HIS  27  -8.256   6.689   6.689
  181    HE1  HIS  27           HE1      HIS  27  -6.273   9.866   9.866
  182    HE2  HIS  27           HE2      HIS  27  -8.657   8.991   8.991
  183    H    ARG  28           H        ARG  28  -4.333   4.373   4.373
  184    HA   ARG  28           HA       ARG  28  -3.400   6.584   6.584
  185   1HB   ARG  28          1HB       ARG  28  -2.210   4.321   4.321
  186   2HB   ARG  28          2HB       ARG  28  -3.041   3.588   3.588
  187   1HG   ARG  28          1HG       ARG  28  -0.718   4.241   4.241
  188   2HG   ARG  28          2HG       ARG  28  -1.874   5.204   5.204
  189   1HD   ARG  28          1HD       ARG  28  -1.327   6.683   6.683
  190   2HD   ARG  28          2HD       ARG  28   0.240   6.088   6.088
  191    HE   ARG  28           HE       ARG  28  -0.875   6.977   6.977
  192   1HH1  ARG  28          2HH1      ARG  28  -0.774   8.558   8.558
  193   2HH1  ARG  28          1HH1      ARG  28  -0.786  10.236  10.236
  194   1HH2  ARG  28          1HH2      ARG  28  -0.885   8.822   8.822
  195   2HH2  ARG  28          2HH2      ARG  28  -0.846  10.386  10.386
  196    H    LEU  29           H        LEU  29  -5.671   3.999   3.999
  197    HA   LEU  29           HA       LEU  29  -6.092   5.033   5.033
  198   1HB   LEU  29          1HB       LEU  29  -7.982   3.053   3.053
  199   2HB   LEU  29          2HB       LEU  29  -7.548   3.164   3.164
  200    HG   LEU  29           HG       LEU  29  -6.135   1.752   1.752
  201   1HD1  LEU  29          2HD1      LEU  29  -7.583   0.513   0.513
  202   2HD1  LEU  29          3HD1      LEU  29  -6.567   1.069   1.069
  203   3HD1  LEU  29          1HD1      LEU  29  -5.896  -0.021  -0.021
  204   1HD2  LEU  29          2HD2      LEU  29  -4.599   2.828   2.828
  205   2HD2  LEU  29          3HD2      LEU  29  -4.287   3.224   3.224
  206   3HD2  LEU  29          1HD2      LEU  29  -3.984   1.585   1.585
  207    H    ALA  30           H        ALA  30  -7.562   5.247   5.247
  208    HA   ALA  30           HA       ALA  30 -10.067   6.462   6.462
  209   1HB   ALA  30          2HB       ALA  30 -10.196   4.897   4.897
  210   2HB   ALA  30          3HB       ALA  30  -9.174   5.993   5.993
  211   3HB   ALA  30          1HB       ALA  30 -10.803   6.501   6.501
  212    H    ASN  31           H        ASN  31  -8.279   7.605   7.605
  213    HA   ASN  31           HA       ASN  31  -8.016   9.872   9.872
  214   1HB   ASN  31          1HB       ASN  31  -6.033   9.799   9.799
  215   2HB   ASN  31          2HB       ASN  31  -6.912   9.612   9.612
  216   1HD2  ASN  31          1HD2      ASN  31  -6.639  13.093  13.093
  217   2HD2  ASN  31          2HD2      ASN  31  -7.300  11.459  11.459
  218    H    GLY  32           H        GLY  32 -10.621   9.078   9.078
  219   1HA   GLY  32          1HA       GLY  32 -11.511  11.951  11.951
  220   2HA   GLY  32          2HA       GLY  32 -12.008  10.595  10.595
  221    H    GLY  33           H        GLY  33 -12.544   8.618   8.618
  222   1HA   GLY  33          1HA       GLY  33 -15.295   9.235   9.235
  223   2HA   GLY  33          2HA       GLY  33 -14.395   7.829   7.829
  224    H    ASN  34           H        ASN  34 -12.448   8.771   8.771
  225    HA   ASN  34           HA       ASN  34 -12.066   9.504   9.504
  226   1HB   ASN  34          1HB       ASN  34 -12.698  11.780  11.780
  227   2HB   ASN  34          2HB       ASN  34 -14.260  11.648  11.648
  228   1HD2  ASN  34          1HD2      ASN  34 -11.055  12.612  12.612
  229   2HD2  ASN  34          2HD2      ASN  34 -10.783  11.486  11.486
  230    H    GLY  35           H        GLY  35 -14.064   7.526   7.526
  231   1HA   GLY  35          1HA       GLY  35 -14.920   6.724   6.724
  232   2HA   GLY  35          2HA       GLY  35 -16.182   7.903   7.903
  233    H    PHE  36           H        PHE  36 -14.675   4.865   4.865
  234    HA   PHE  36           HA       PHE  36 -16.755   4.223   4.223
  235   1HB   PHE  36          1HB       PHE  36 -14.404   2.638   2.638
  236   2HB   PHE  36          2HB       PHE  36 -15.566   1.845   1.845
  237    HD1  PHE  36           HD2      PHE  36 -13.191   4.804   4.804
  238    HD2  PHE  36           HD1      PHE  36 -15.169   1.702   1.702
  239    HE1  PHE  36           HE2      PHE  36 -11.900   5.410   5.410
  240    HE2  PHE  36           HE1      PHE  36 -13.883   2.317   2.317
  241    HZ   PHE  36           HZ       PHE  36 -12.255   4.179   4.179
  242    H    TRP  37           H        TRP  37 -15.668   2.925   2.925
  243    HA   TRP  37           HA       TRP  37 -17.906   1.106   1.106
  244   1HB   TRP  37          1HB       TRP  37 -16.735   2.653   2.653
  245   2HB   TRP  37          2HB       TRP  37 -17.138   0.955   0.955
  246    HD1  TRP  37           HD1      TRP  37 -15.299  -0.738  -0.738
  247    HE1  TRP  37           HE1      TRP  37 -12.683  -0.577  -0.577
  248    HE3  TRP  37           HE3      TRP  37 -14.932   4.309   4.309
  249    HZ2  TRP  37           HZ2      TRP  37 -10.856   1.606   1.606
  250    HZ3  TRP  37           HZ3      TRP  37 -12.758   5.413   5.413
  251    HH2  TRP  37           HH2      TRP  37 -10.746   4.084   4.084
  252    HXT  TRP  37           HXT      TRP  37 -20.504   2.907   2.907