*HEADER    SUGAR BINDING PROTEIN                   23-JAN-01   1HZ3              
*TITLE     ALZHEIMER'S DISEASE AMYLOID-BETA PEPTIDE (RESIDUES 10-35)             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: A-BETA AMYLOID;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 10-35;                                            
*COMPND   5 SYNONYM: BETA-AMYLOID A4;                                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS TAKEN FROM THE A-BETA                
*SOURCE   4 PEPTIDE, WHICH OCCURS NATURALLY IN HOMO SAPIENS (HUMAN).             
*SOURCE   5 THE PEPTIDE WAS SYNTHESIZED BY MERRIFIELD SOLID-PHASE                
*SOURCE   6 METHODOLOGY.                                                         
*KEYWDS    COLLAPSED COIL, HYDROPHOBIC CLUSTER, HYDROPHOBIC PATCH                
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    S.ZHANG, K.IWATA, M.J.LACHENMANN, J.W.PENG, S.LI,                     
*AUTHOR   2 E.R.STIMSON, Y.LU, A.M.FELIX, J.E.MAGGIO, J.P.LEE                    
*REVDAT   1   31-JAN-01 1HZ3    0                                                
!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:TYRn_1:CA        S
1:GLU-_2:CA        S
1:VAL_3:CA         S
1:HIS+_4:CA        S
1:HIS+_5:CA        S
1:GLN_6:CA         S
1:LYS+_7:CA        S
1:LEU_8:CA         S
1:VAL_9:CA         S
1:PHE_10:CA        S
1:PHE_11:CA        S
1:ALA_12:CA        S
1:GLU-_13:CA       S
1:ASP-_14:CA       S
1:VAL_15:CA        S
1:SER_17:CA        S
1:ASN_18:CA        S
1:LYS+_19:CA       S
1:ALA_21:CA        S
1:ILE_22:CA        S
1:ILE_23:CA        S
1:LEU_25:CA        S
1:MET_26:CA        S
!
#distance
1:SER_17:HN        1:PHE_10:O          2.100  2.300 10.00 10.00 1000.000
!
#NOE_distance
1:TYRn_1:HD1       1:ALA_12:HB1       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:ALA_12:HB2       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:ALA_12:HB3       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:ALA_12:HB1       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:ALA_12:HB2       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:ALA_12:HB3       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:ALA_12:HB1       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:ALA_12:HB2       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:ALA_12:HB3       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:ALA_12:HB1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:ALA_12:HB2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:ALA_12:HB3       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG11       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG12       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG13       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG21       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG22       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG23       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG11       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG12       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG13       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG21       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG22       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG23       1:VAL_9:HN         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLU-_13:HG1      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLU-_13:HG2      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLU-_13:HB1      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLU-_13:HB2      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:MET_26:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:MET_26:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:MET_26:HE3       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:GLU-_13:HN       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:ASP-_14:HN       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:SER_17:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:SER_17:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:SER_17:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HA        1:ASP-_14:HN       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HA        1:ALA_21:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:LYS+_19:HB1      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:LYS+_19:HB2      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:MET_26:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:MET_26:HE2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:MET_26:HE3       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:LYS+_19:HB1      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:LYS+_19:HB2      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:MET_26:HE1       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:MET_26:HE2       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:MET_26:HE3       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HZ        1:LYS+_19:HB1      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HZ        1:LYS+_19:HB2      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:LYS+_19:HB1      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:LYS+_19:HB2      -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:MET_26:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:MET_26:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:MET_26:HE3       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:LYS+_19:HB1      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:LYS+_19:HB2      -1.000  7.000  7.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:MET_26:HE1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:MET_26:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:MET_26:HE3       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:LYS+_19:HB1      -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:LYS+_19:HB2      -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:MET_26:HE1       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:MET_26:HE2       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:MET_26:HE3       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:LYS+_19:HB1      -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:LYS+_19:HB2      -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:MET_26:HE1       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:MET_26:HE2       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:MET_26:HE3       -1.000  9.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:LYS+_19:HB1      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:LYS+_19:HB2      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:LYS+_19:HB1      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:LYS+_19:HB2      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:MET_26:HE1       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:MET_26:HE2       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:MET_26:HE3       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:LYS+_19:HB1      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:LYS+_19:HB2      -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:MET_26:HE1       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:MET_26:HE2       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:MET_26:HE3       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB1       1:GLY_16:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB2       1:GLY_16:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB3       1:GLY_16:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB1       1:SER_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB2       1:SER_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB3       1:SER_17:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HB1      1:SER_17:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HB2      1:SER_17:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HG1      1:SER_17:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HG2      1:SER_17:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:SER_17:HN        1:ILE_23:HG11      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:SER_17:HN        1:ILE_23:HG12      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HN         1:VAL_9:HN         -1.000  2.750  2.750 10.00 10.00 1000.000  0.00
1:LEU_8:HA         1:VAL_9:HN         -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_8:HB1        1:VAL_9:HN         -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HB2        1:VAL_9:HN         -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HB1        1:PHE_10:HE2       -1.000  6.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HB2        1:PHE_10:HE2       -1.000  6.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:VAL_9:HN         -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:PHE_10:HD2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:PHE_10:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:PHE_10:HZ        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:PHE_10:HE2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HG         1:PHE_11:HZ        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD11       1:VAL_9:HN         -1.000  5.000  3.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD12       1:VAL_9:HN         -1.000  5.000  3.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD13       1:VAL_9:HN         -1.000  5.000  3.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD11       1:PHE_10:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD12       1:PHE_10:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD13       1:PHE_10:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD11       1:PHE_11:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD12       1:PHE_11:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD13       1:PHE_11:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD11       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD12       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD13       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD21       1:PHE_10:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD22       1:PHE_10:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD23       1:PHE_10:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD21       1:PHE_10:HZ        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD22       1:PHE_10:HZ        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD23       1:PHE_10:HZ        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD21       1:PHE_10:HE2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD22       1:PHE_10:HE2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD23       1:PHE_10:HE2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD21       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD22       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD23       1:PHE_11:HZ        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_8:HD21       1:PHE_11:HE2       -1.000  8.000  5.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD22       1:PHE_11:HE2       -1.000  8.000  5.500 10.00 10.00 1000.000  0.00
1:LEU_8:HD23       1:PHE_11:HE2       -1.000  8.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HA         -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HB         -1.000  3.000  2.750 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG11       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG12       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG13       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG21       -1.000  5.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG22       -1.000  5.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:VAL_9:HG23       -1.000  5.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HN         1:PHE_10:HN        -1.000  4.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HN        -1.000  3.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HD1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HE1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HZ        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HE2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_10:HD2       -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_11:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_11:HZ        -1.000  6.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_11:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HA         1:PHE_11:HD2       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_10:HN        -1.000  2.750  2.750 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_10:HD1       -1.000  6.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_10:HE2       -1.000  6.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_10:HD2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_11:HD1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_11:HE1       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_11:HZ        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_11:HE2       -1.000  6.000  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HB         1:PHE_11:HD2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_10:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_10:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_10:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_10:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_10:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_10:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_10:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_10:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_10:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_10:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_10:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_10:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_10:HD2       -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_10:HD2       -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_10:HD2       -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_11:HD1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_11:HD1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_11:HD1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_11:HE1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_11:HE1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_11:HE1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_11:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_11:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_11:HZ        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG11       1:PHE_11:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG12       1:PHE_11:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG13       1:PHE_11:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HD1       -1.000  4.000  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HD1       -1.000  4.000  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HD1       -1.000  4.000  2.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HE1       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HE1       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HE1       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HZ        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HZ        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HZ        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HE2       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HE2       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HE2       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_10:HD2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_10:HD2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_10:HD2       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HN        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HN        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HN        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HD1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HD1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HD1       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HE1       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HE1       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HE1       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HZ        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HZ        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HZ        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HE2       -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HE2       -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HE2       -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG21       1:PHE_11:HD2       -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG22       1:PHE_11:HD2       -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_9:HG23       1:PHE_11:HD2       -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:PHE_10:HN        1:PHE_11:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHE_10:HA        1:PHE_11:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_10:HB1       1:PHE_11:HN        -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:PHE_10:HB2       1:PHE_11:HN        -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:ALA_12:HB1       -1.000  6.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:ALA_12:HB2       -1.000  6.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_10:HD1       1:ALA_12:HB3       -1.000  6.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:ALA_12:HB1       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:ALA_12:HB2       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HE1       1:ALA_12:HB3       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HZ        1:ALA_12:HB1       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HZ        1:ALA_12:HB2       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HZ        1:ALA_12:HB3       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:ALA_12:HB1       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:ALA_12:HB2       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HE2       1:ALA_12:HB3       -1.000  7.000  5.500 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:ALA_12:HB1       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:ALA_12:HB2       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_10:HD2       1:ALA_12:HB3       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:ALA_12:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HN        1:ALA_12:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_11:HA        1:ALA_12:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HB1       1:ALA_12:HN        -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHE_11:HB2       1:ALA_12:HN        -1.000  3.000  2.750 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:ALA_12:HB1       -1.000  4.000  2.750 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:ALA_12:HB2       -1.000  4.000  2.750 10.00 10.00 1000.000  0.00
1:PHE_11:HD1       1:ALA_12:HB3       -1.000  4.000  2.750 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:ALA_12:HB1       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:ALA_12:HB2       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HE1       1:ALA_12:HB3       -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:ALA_12:HB1       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:ALA_12:HB2       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HZ        1:ALA_12:HB3       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:ALA_12:HB1       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:ALA_12:HB2       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HE2       1:ALA_12:HB3       -1.000  6.500  4.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:ALA_12:HB1       -1.000  6.000  3.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:ALA_12:HB2       -1.000  6.000  3.500 10.00 10.00 1000.000  0.00
1:PHE_11:HD2       1:ALA_12:HB3       -1.000  6.000  3.500 10.00 10.00 1000.000  0.00
1:PHE_10:HA        1:GLU-_13:HN       -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:ALA_12:HA        1:GLU-_13:HN       -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:ALA_12:HB1       1:GLU-_13:HN       -1.000  3.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB2       1:GLU-_13:HN       -1.000  3.500  3.000 10.00 10.00 1000.000  0.00
1:ALA_12:HB3       1:GLU-_13:HN       -1.000  3.500  3.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:ASP-_14:HN       -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HA       1:VAL_15:HN        -1.000  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HB1      1:ASP-_14:HN       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HB1      1:VAL_15:HN        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HB2      1:ASP-_14:HN       -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HB2      1:VAL_15:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HG1      1:ASP-_14:HN       -1.000  6.000  4.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HG1      1:VAL_15:HN        -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLU-_13:HG2      1:ASP-_14:HN       -1.000  5.000  3.500 10.00 10.00 1000.000  0.00
1:GLU-_13:HG2      1:VAL_15:HN        -1.000  3.000  2.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HA        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG11      -1.000  6.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG12      -1.000  6.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG13      -1.000  6.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG21      -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG22      -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HN       1:VAL_15:HG23      -1.000  4.500  3.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HA       1:VAL_15:HN        -1.000  3.500  3.000 10.00 10.00 1000.000  0.00
1:ASP-_14:HB1      1:VAL_15:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:ASP-_14:HB2      1:VAL_15:HN        -1.000  5.000  4.500 10.00 10.00 1000.000  0.00
1:VAL_15:HN        1:GLY_16:HN        -1.000  2.500  2.500 10.00 10.00 1000.000  0.00
1:VAL_15:HA        1:GLY_16:HN        -1.000  4.000  3.500 10.00 10.00 1000.000  0.00
1:VAL_15:HB        1:GLY_16:HN        -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:VAL_15:HG11      1:ASN_18:HN        -1.000  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_15:HG12      1:ASN_18:HN        -1.000  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_15:HG13      1:ASN_18:HN        -1.000  4.500  3.000 10.00 10.00 1000.000  0.00
1:VAL_15:HG21      1:ASN_18:HN        -1.000  5.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_15:HG22      1:ASN_18:HN        -1.000  5.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_15:HG23      1:ASN_18:HN        -1.000  5.500  3.500 10.00 10.00 1000.000  0.00
1:SER_17:HN        1:ASN_18:HN        -1.000  3.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_18:HN        1:ALA_21:HB1       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_18:HN        1:ALA_21:HB2       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_18:HN        1:ALA_21:HB3       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_18:HN        1:ILE_22:HN        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:ASN_18:HA        1:GLY_20:HN        -1.000  4.500  4.000 10.00 10.00 1000.000  0.00
1:ASN_18:HA        1:ALA_21:HN        -1.000  5.000  3.500 10.00 10.00 1000.000  0.00
1:ASN_18:HB1       1:GLY_20:HN        -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_18:HB2       1:GLY_20:HN        -1.000  3.500  3.500 10.00 10.00 1000.000  0.00
1:ASN_18:HD21      1:GLY_20:HA1       -1.000  7.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD22      1:GLY_20:HA1       -1.000  7.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD21      1:GLY_20:HA2       -1.000  6.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD22      1:GLY_20:HA2       -1.000  6.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD21      1:ALA_21:HB1       -1.000  7.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD21      1:ALA_21:HB2       -1.000  7.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD21      1:ALA_21:HB3       -1.000  7.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD22      1:ALA_21:HB1       -1.000  6.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD22      1:ALA_21:HB2       -1.000  6.000  5.000  1.00  1.00 1000.000  0.00
1:ASN_18:HD22      1:ALA_21:HB3       -1.000  6.000  5.000  1.00  1.00 1000.000  0.00
1:LYS+_19:HA       1:GLY_20:HN        -1.000  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS+_19:HE1      1:GLY_20:HN        -1.000  4.500  4.500 10.00 10.00 1000.000  0.00
1:LYS+_19:HE2      1:GLY_20:HN        -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ILE_22:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:ILE_23:HA        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HA        1:GLY_24:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB1       1:GLY_24:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB2       1:GLY_24:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB3       1:GLY_24:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_19:HN       1:MET_26:HE1       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_19:HN       1:MET_26:HE2       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_19:HN       1:MET_26:HE3       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:MET_26:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:MET_26:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HN        1:MET_26:HE3       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HA1       1:OH_27:HO         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_20:HA2       1:OH_27:HO         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB1       1:OH_27:HO         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB2       1:OH_27:HO         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HB3       1:OH_27:HO         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD11      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD12      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD13      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD21      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD22      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HD23      1:OH_27:HO         -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:MET_26:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:MET_26:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:MET_26:HE3       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD11      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD12      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD13      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD21      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD22      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_24:HN        1:LEU_25:HD23      -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD11      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD12      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD13      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD21      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD22      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:MET_26:HN        1:LEU_25:HD23      -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_23:HN        1:MET_26:HE1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_23:HN        1:MET_26:HE2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:ILE_23:HN        1:MET_26:HE3       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HN        1:MET_26:HE1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HN        1:MET_26:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HN        1:MET_26:HE3       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:LEU_25:HA        1:OH_27:HO         -1.000  5.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_22:HD11      1:GLY_20:HN        -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:ILE_22:HD12      1:GLY_20:HN        -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:ILE_22:HD13      1:GLY_20:HN        -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:LYS+_19:HN       1:SER_17:HB1       -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:LYS+_19:HN       1:SER_17:HB2       -1.000  6.500  5.500 10.00 10.00 1000.000  0.00
1:GLY_16:HN        1:ASP-_14:HA       -1.000  5.000  4.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HA        1:TYRn_1:HD1       -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HA        1:TYRn_1:HE1       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HA        1:TYRn_1:HE2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HA        1:TYRn_1:HD2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HA        1:GLU-_2:HN        -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB1       1:TYRn_1:HD1       -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB1       1:TYRn_1:HE1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB1       1:TYRn_1:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB1       1:TYRn_1:HD2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB1       1:GLU-_2:HN        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB2       1:TYRn_1:HD1       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB2       1:TYRn_1:HE1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB2       1:TYRn_1:HE2       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB2       1:TYRn_1:HD2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HB2       1:GLU-_2:HN        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HN        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HA        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HB1       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HB2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HG1       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:GLU-_2:HG2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HB         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG11       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG12       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG13       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG21       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG22       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD1       1:VAL_3:HG23       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:GLU-_2:HN        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:GLU-_2:HA        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HB         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG11       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG12       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG13       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG21       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE1       1:VAL_3:HG23       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:GLU-_2:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:GLU-_2:HA        -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HN         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HB         -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG11       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG12       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG13       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG21       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG22       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HE2       1:VAL_3:HG23       -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HA        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HB1       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HB2       -1.000  8.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HG1       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:GLU-_2:HG2       -1.000  8.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HN         -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HB         -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG11       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG12       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG13       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG21       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG22       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:TYRn_1:HD2       1:VAL_3:HG23       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HN        1:VAL_3:HN         -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HA        1:VAL_3:HN         -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HA        1:HIS+_4:HD2       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HB1       1:VAL_3:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HB1       1:HIS+_4:HD2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HB2       1:VAL_3:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HB2       1:HIS+_4:HD2       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HG1       1:VAL_3:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HG1       1:HIS+_4:HD2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HG2       1:VAL_3:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLU-_2:HG2       1:HIS+_4:HD2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG11       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG12       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG13       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG21       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG22       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG23       1:HIS+_4:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG11       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG12       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG13       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG21       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG22       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG23       1:HIS+_4:HN        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HB         1:HIS+_4:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG11       1:HIS+_5:HD2       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG12       1:HIS+_5:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG13       1:HIS+_5:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG21       1:HIS+_5:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG22       1:HIS+_5:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HG23       1:HIS+_5:HD2       -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_3:HB         1:HIS+_5:HD2       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HN        1:HIS+_4:HA        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HN        1:HIS+_4:HB1       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HN        1:HIS+_4:HB2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HN        1:HIS+_4:HD2       -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HA        1:HIS+_4:HB1       -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HA        1:HIS+_4:HB2       -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HD2       1:HIS+_4:HA        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HD2       1:HIS+_4:HB1       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HD2       1:HIS+_4:HB2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_4:HD2       1:HIS+_5:HA        -1.000  7.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_4:HB1       -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_4:HB2       -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_5:HA        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_5:HB1       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_5:HB2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HN        1:HIS+_5:HD2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HA        1:GLN_6:HN         -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HA        1:LYS+_7:HN        -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HB1       1:GLN_6:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HB2       1:GLN_6:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:HIS+_5:HA        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:HIS+_5:HB1       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:HIS+_5:HB2       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLN_6:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLN_6:HA         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLN_6:HG1        -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:GLN_6:HG2        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:HIS+_5:HD2       1:LYS+_7:HN        -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HA         -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HB1        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HB2        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HG1        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HG2        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HE21       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HN         1:GLN_6:HE22       -1.000  6.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HB1        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HB2        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HG1        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HG2        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HE21       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:GLN_6:HE22       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HA         1:LYS+_7:HN        -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB1        1:GLN_6:HG1        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB1        1:GLN_6:HG2        -1.000  3.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB1        1:GLN_6:HE21       -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB1        1:GLN_6:HE22       -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB1        1:LYS+_7:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB2        1:GLN_6:HG1        -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB2        1:GLN_6:HG2        -1.000  3.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB2        1:GLN_6:HE21       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB2        1:GLN_6:HE22       -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HB2        1:LYS+_7:HN        -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HG1        1:LYS+_7:HN        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HG2        1:LYS+_7:HN        -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HE21       1:LYS+_7:HN        -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_6:HE22       1:LYS+_7:HN        -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:LEU_8:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG11       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG12       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG13       -1.000  7.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG21       -1.000  9.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG22       -1.000  9.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HN        1:VAL_9:HG23       -1.000  9.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HA        1:LEU_8:HN         -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HB1       1:LEU_8:HN         -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HB2       1:LEU_8:HN         -1.000  4.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HG1       1:LEU_8:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HG2       1:LEU_8:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HD1       1:LEU_8:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HD2       1:LEU_8:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HE1       1:LEU_8:HN         -1.000  5.500  5.000 10.00 10.00 1000.000  0.00
1:LYS+_7:HE2       1:LEU_8:HN         -1.000  6.000  5.000 10.00 10.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:LEU_8:C          1:VAL_9:N          1:VAL_9:CA         1:VAL_9:C          -170.000 -80.000  3.00  3.00 1000.000
1:VAL_9:C          1:PHE_10:N         1:PHE_10:CA        1:PHE_10:C         -170.000 -60.000  3.00  3.00 1000.000
1:PHE_10:C         1:PHE_11:N         1:PHE_11:CA        1:PHE_11:C         -170.000 -60.000  3.00  3.00 1000.000
1:PHE_11:C         1:ALA_12:N         1:ALA_12:CA        1:ALA_12:C         -90.000 180.000  3.00  3.00 1000.000
1:ALA_12:C         1:GLU-_13:N        1:GLU-_13:CA       1:GLU-_13:C        -90.000 180.000  3.00  3.00 1000.000
1:VAL_9:HA         1:VAL_9:CA         1:VAL_9:CB         1:VAL_9:HB         95.000 -155.000  3.00  3.00 1000.000
1:VAL_15:HA        1:VAL_15:CA        1:VAL_15:CB        1:VAL_15:HB        -155.000 95.000  3.00  3.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1   0.089 -11.343   2.651
    2   2H    TYR   1          2H        TYR   1   1.533 -10.586   2.605
    3    HA   TYR   1           HA       TYR   1  -1.106  -9.231   2.658
    4   1HB   TYR   1          2HB       TYR   1   0.691  -7.993   3.883
    5   2HB   TYR   1          1HB       TYR   1   1.799  -8.171   2.545
    6    HD1  TYR   1           HD1      TYR   1   2.016  -6.295   1.104
    7    HD2  TYR   1           HD2      TYR   1  -1.686  -6.763   3.246
    8    HE1  TYR   1           HE1      TYR   1   1.187  -4.175   0.165
    9    HE2  TYR   1           HE2      TYR   1  -2.507  -4.661   2.269
   10    HH   TYR   1           HH       TYR   1  -2.056  -2.970   0.875
   11    H    GLU   2           H        GLU   2  -2.073  -9.359   0.779
   12    HA   GLU   2           HA       GLU   2  -0.720 -10.316  -1.742
   13   1HB   GLU   2          1HB       GLU   2  -3.085 -10.975  -0.658
   14   2HB   GLU   2          2HB       GLU   2  -3.654  -9.456  -1.316
   15   1HG   GLU   2          2HG       GLU   2  -2.776 -10.430  -3.658
   16   2HG   GLU   2          1HG       GLU   2  -2.596 -11.955  -2.811
   17    H    VAL   3           H        VAL   3  -1.479  -7.161  -0.574
   18    HA   VAL   3           HA       VAL   3  -1.246  -4.974  -1.465
   19    HB   VAL   3           HB       VAL   3  -0.134  -6.046  -4.145
   20   1HG1  VAL   3          1HG2      VAL   3   0.463  -3.439  -2.585
   21   2HG1  VAL   3          2HG2      VAL   3   1.113  -3.889  -4.174
   22   3HG1  VAL   3          3HG2      VAL   3  -0.607  -3.559  -3.995
   23   1HG2  VAL   3          1HG1      VAL   3   1.298  -7.143  -2.362
   24   2HG2  VAL   3          2HG1      VAL   3   2.183  -5.942  -3.306
   25   3HG2  VAL   3          3HG1      VAL   3   1.640  -5.548  -1.663
   26    H    HIS   4           H        HIS   4  -2.419  -7.112  -4.072
   27    HA   HIS   4           HA       HIS   4  -4.338  -6.982  -5.544
   28   1HB   HIS   4          2HB       HIS   4  -5.362  -4.768  -3.614
   29   2HB   HIS   4          1HB       HIS   4  -6.281  -5.448  -4.929
   30    HD1  HIS   4           HD1      HIS   4  -7.551  -5.687  -2.137
   31    HD2  HIS   4           HD2      HIS   4  -4.937  -8.623  -3.865
   32    HE1  HIS   4           HE1      HIS   4  -7.952  -8.019  -1.040
   33    HE2  HIS   4           HE2      HIS   4  -6.319  -9.856  -2.079
   34    H    HIS   5           H        HIS   5  -2.720  -3.883  -4.916
   35    HA   HIS   5           HA       HIS   5  -2.046  -2.151  -6.306
   36   1HB   HIS   5          1HB       HIS   5  -2.380  -4.475  -8.397
   37   2HB   HIS   5          2HB       HIS   5  -1.784  -2.924  -8.886
   38    HD1  HIS   5           HD1      HIS   5  -0.192  -6.097  -7.865
   39    HD2  HIS   5           HD2      HIS   5   0.153  -1.946  -7.068
   40    HE1  HIS   5           HE1      HIS   5   2.245  -5.573  -7.018
   41    HE2  HIS   5           HE2      HIS   5   2.626  -3.119  -6.589
   42    H    GLN   6           H        GLN   6  -2.363  -0.713  -7.960
   43    HA   GLN   6           HA       GLN   6  -3.514   1.157  -8.625
   44   1HB   GLN   6          2HB       GLN   6  -4.928   0.646 -10.669
   45   2HB   GLN   6          1HB       GLN   6  -3.380  -0.129 -10.620
   46   1HG   GLN   6          1HG       GLN   6  -4.762  -1.716 -11.608
   47   2HG   GLN   6          2HG       GLN   6  -4.507  -2.361 -10.022
   48   1HE2  GLN   6          1HE2      GLN   6  -6.304  -2.035  -8.472
   49   2HE2  GLN   6          2HE2      GLN   6  -8.028  -1.940  -9.146
   50    H    LYS   7           H        LYS   7  -4.491   0.671  -6.212
   51    HA   LYS   7           HA       LYS   7  -7.276   1.960  -6.416
   52   1HB   LYS   7          2HB       LYS   7  -7.451  -0.573  -6.041
   53   2HB   LYS   7          1HB       LYS   7  -6.615  -0.387  -4.509
   54   1HG   LYS   7          2HG       LYS   7  -8.522   1.217  -3.767
   55   2HG   LYS   7          1HG       LYS   7  -9.331   0.885  -5.296
   56   1HD   LYS   7          1HD       LYS   7  -9.409  -1.592  -4.704
   57   2HD   LYS   7          2HD       LYS   7  -8.584  -1.249  -3.179
   58   1HE   LYS   7          1HE       LYS   7 -10.523   0.296  -2.490
   59   2HE   LYS   7          2HE       LYS   7 -11.347  -0.077  -4.007
   60   1HZ   LYS   7          1HZ       LYS   7 -12.111  -1.603  -2.188
   61   2HZ   LYS   7          2HZ       LYS   7 -11.343  -2.491  -3.338
   62   3HZ   LYS   7          3HZ       LYS   7 -10.580  -2.144  -1.932
   63    H    LEU   8           H        LEU   8  -5.102   1.096  -3.711
   64    HA   LEU   8           HA       LEU   8  -5.032   4.060  -2.864
   65   1HB   LEU   8          1HB       LEU   8  -6.158   3.660  -0.733
   66   2HB   LEU   8          2HB       LEU   8  -7.158   2.997  -1.968
   67    HG   LEU   8           HG       LEU   8  -5.723   0.684  -1.197
   68   1HD1  LEU   8          1HD1      LEU   8  -6.074   2.185   1.420
   69   2HD1  LEU   8          2HD1      LEU   8  -5.554   0.498   1.196
   70   3HD1  LEU   8          3HD1      LEU   8  -4.507   1.804   0.649
   71   1HD2  LEU   8          1HD2      LEU   8  -7.745   0.056   0.151
   72   2HD2  LEU   8          2HD2      LEU   8  -8.254   1.758   0.227
   73   3HD2  LEU   8          3HD2      LEU   8  -8.259   0.893  -1.333
   74    H    VAL   9           H        VAL   9  -3.055   1.295  -2.815
   75    HA   VAL   9           HA       VAL   9  -1.987   1.455  -0.121
   76    HB   VAL   9           HB       VAL   9  -0.457   0.346  -2.531
   77   1HG1  VAL   9          1HG2      VAL   9  -0.383  -0.399   0.438
   78   2HG1  VAL   9          2HG2      VAL   9   0.460  -1.222  -0.901
   79   3HG1  VAL   9          3HG2      VAL   9   0.879   0.448  -0.487
   80   1HG2  VAL   9          1HG1      VAL   9  -1.442  -1.913  -1.961
   81   2HG2  VAL   9          2HG1      VAL   9  -2.525  -1.143  -0.777
   82   3HG2  VAL   9          3HG1      VAL   9  -2.709  -0.817  -2.523
   83    H    PHE  10           H        PHE  10  -1.413   3.194   0.582
   84    HA   PHE  10           HA       PHE  10   0.795   5.061  -0.307
   85   1HB   PHE  10          2HB       PHE  10   0.076   6.263   1.911
   86   2HB   PHE  10          1HB       PHE  10  -1.117   6.188   0.659
   87    HD1  PHE  10           HD1      PHE  10  -0.258   4.785   4.098
   88    HD2  PHE  10           HD2      PHE  10  -3.173   5.005   0.986
   89    HE1  PHE  10           HE1      PHE  10  -1.738   3.206   5.290
   90    HE2  PHE  10           HE2      PHE  10  -4.642   3.532   2.239
   91    HZ   PHE  10           HZ       PHE  10  -3.968   2.603   4.361
   92    H    PHE  11           H        PHE  11   0.506   2.345   1.667
   93    HA   PHE  11           HA       PHE  11   2.980   2.881   3.397
   94   1HB   PHE  11          2HB       PHE  11   1.934   1.301   4.937
   95   2HB   PHE  11          1HB       PHE  11   0.751   2.482   4.528
   96    HD1  PHE  11           HD1      PHE  11   1.519  -1.083   4.520
   97    HD2  PHE  11           HD2      PHE  11  -1.135   1.767   2.740
   98    HE1  PHE  11           HE1      PHE  11  -0.158  -2.856   4.147
   99    HE2  PHE  11           HE2      PHE  11  -2.810   0.022   2.407
  100    HZ   PHE  11           HZ       PHE  11  -2.352  -2.286   3.142
  101    H    ALA  12           H        ALA  12   2.295   1.051   0.615
  102    HA   ALA  12           HA       ALA  12   4.596  -0.879   1.266
  103   1HB   ALA  12          1HB       ALA  12   2.968  -2.774   0.729
  104   2HB   ALA  12          2HB       ALA  12   2.534  -1.832   2.205
  105   3HB   ALA  12          3HB       ALA  12   1.651  -1.604   0.718
  106    H    GLU  13           H        GLU  13   2.360  -1.656  -1.395
  107    HA   GLU  13           HA       GLU  13   4.729  -1.012  -3.259
  108   1HB   GLU  13          2HB       GLU  13   4.516  -3.447  -2.169
  109   2HB   GLU  13          1HB       GLU  13   3.138  -3.687  -3.199
  110   1HG   GLU  13          1HG       GLU  13   5.618  -2.696  -4.648
  111   2HG   GLU  13          2HG       GLU  13   5.900  -4.160  -3.738
  112    H    ASP  14           H        ASP  14   1.748  -0.045  -3.269
  113    HA   ASP  14           HA       ASP  14   1.412  -0.370  -6.343
  114   1HB   ASP  14          1HB       ASP  14  -0.632  -0.417  -4.720
  115   2HB   ASP  14          2HB       ASP  14  -0.365   1.316  -4.463
  116    H    VAL  15           H        VAL  15   3.656   0.840  -5.215
  117    HA   VAL  15           HA       VAL  15   4.686   2.795  -6.855
  118    HB   VAL  15           HB       VAL  15   2.898   4.425  -6.336
  119   1HG1  VAL  15          1HG2      VAL  15   2.402   5.358  -4.155
  120   2HG1  VAL  15          2HG2      VAL  15   2.241   3.619  -3.979
  121   3HG1  VAL  15          3HG2      VAL  15   3.697   4.427  -3.358
  122   1HG2  VAL  15          1HG1      VAL  15   5.391   5.520  -4.937
  123   2HG2  VAL  15          2HG1      VAL  15   5.147   5.460  -6.698
  124   3HG2  VAL  15          3HG1      VAL  15   4.074   6.446  -5.676
  125    H    GLY  16           H        GLY  16   4.579   1.579  -3.442
  126   1HA   GLY  16          1HA       GLY  16   6.780   0.868  -2.403
  127   2HA   GLY  16          2HA       GLY  16   7.628   2.098  -3.311
  128    H    SER  17           H        SER  17   4.991   1.794  -1.078
  129    HA   SER  17           HA       SER  17   4.114   3.186   0.743
  130   1HB   SER  17          1HB       SER  17   7.155   3.557   1.211
  131   2HB   SER  17          2HB       SER  17   5.895   3.743   2.426
  132    HG   SER  17           HG       SER  17   6.335   1.342   0.973
  133    H    ASN  18           H        ASN  18   3.765   4.901  -1.456
  134    HA   ASN  18           HA       ASN  18   3.586   7.486  -0.180
  135   1HB   ASN  18          1HB       ASN  18   6.158   7.496  -0.660
  136   2HB   ASN  18          2HB       ASN  18   5.788   7.420  -2.368
  137   1HD2  ASN  18          2HD2      ASN  18   7.095   9.448  -2.232
  138   2HD2  ASN  18          1HD2      ASN  18   6.187  11.000  -1.824
  139    H    LYS  19           H        LYS  19   1.528   6.630  -1.119
  140    HA   LYS  19           HA       LYS  19   1.020   7.056  -4.123
  141   1HB   LYS  19          1HB       LYS  19   0.101   5.113  -2.596
  142   2HB   LYS  19          2HB       LYS  19  -0.847   6.292  -1.777
  143   1HG   LYS  19          1HG       LYS  19  -2.452   5.540  -3.165
  144   2HG   LYS  19          2HG       LYS  19  -1.903   6.782  -4.246
  145   1HD   LYS  19          1HD       LYS  19  -0.608   3.968  -4.409
  146   2HD   LYS  19          2HD       LYS  19  -2.285   4.108  -4.865
  147   1HE   LYS  19          2HE       LYS  19  -1.765   5.833  -6.612
  148   2HE   LYS  19          1HE       LYS  19  -0.047   5.806  -6.172
  149   1HZ   LYS  19          1HZ       LYS  19  -0.834   4.122  -8.079
  150   2HZ   LYS  19          2HZ       LYS  19   0.155   3.511  -6.890
  151   3HZ   LYS  19          3HZ       LYS  19  -1.394   3.168  -6.825
  152    H    GLY  20           H        GLY  20   1.943   9.349  -3.300
  153   1HA   GLY  20          1HA       GLY  20   1.488  11.782  -2.998
  154   2HA   GLY  20          2HA       GLY  20  -0.201  11.453  -3.448
  155    H    ALA  21           H        ALA  21   1.928  10.260  -0.871
  156    HA   ALA  21           HA       ALA  21  -0.049  11.031   1.386
  157   1HB   ALA  21          1HB       ALA  21   1.096   8.233   0.667
  158   2HB   ALA  21          2HB       ALA  21  -0.036   8.591   1.982
  159   3HB   ALA  21          3HB       ALA  21  -0.550   8.763   0.295
  160    H    ILE  22           H        ILE  22   3.257   9.691   0.865
  161    HA   ILE  22           HA       ILE  22   5.073   9.395   2.414
  162    HB   ILE  22           HB       ILE  22   3.926  11.909   3.823
  163   1HG1  ILE  22          1HG1      ILE  22   5.931  13.092   2.543
  164   2HG1  ILE  22          2HG1      ILE  22   5.916  11.721   1.457
  165   1HG2  ILE  22          1HG2      ILE  22   6.307  12.281   4.606
  166   2HG2  ILE  22          2HG2      ILE  22   5.666  10.787   5.247
  167   3HG2  ILE  22          3HG2      ILE  22   6.796  10.732   3.878
  168   1HD1  ILE  22          1HD1      ILE  22   3.474  13.574   1.975
  169   2HD1  ILE  22          2HD1      ILE  22   4.666  13.827   0.678
  170   3HD1  ILE  22          3HD1      ILE  22   3.634  12.392   0.652
  171    H    ILE  23           H        ILE  23   2.730   7.909   2.662
  172    HA   ILE  23           HA       ILE  23   1.691   6.273   3.859
  173    HB   ILE  23           HB       ILE  23   3.629   6.858   6.220
  174   1HG1  ILE  23          1HG1      ILE  23   4.019   4.756   3.982
  175   2HG1  ILE  23          2HG1      ILE  23   4.877   6.268   4.072
  176   1HG2  ILE  23          1HG2      ILE  23   2.011   4.276   5.608
  177   2HG2  ILE  23          2HG2      ILE  23   3.104   4.519   6.991
  178   3HG2  ILE  23          3HG2      ILE  23   1.619   5.456   6.883
  179   1HD1  ILE  23          1HD1      ILE  23   5.162   3.998   6.131
  180   2HD1  ILE  23          2HD1      ILE  23   6.356   4.541   4.936
  181   3HD1  ILE  23          3HD1      ILE  23   5.917   5.606   6.293
  182    H    GLY  24           H        GLY  24  -0.225   7.230   3.898
  183   1HA   GLY  24          1HA       GLY  24  -1.581   7.829   6.378
  184   2HA   GLY  24          2HA       GLY  24  -1.077   9.392   5.753
  185    H    LEU  25           H        LEU  25  -2.033  10.136   3.794
  186    HA   LEU  25           HA       LEU  25  -4.306   8.546   2.537
  187   1HB   LEU  25          1HB       LEU  25  -5.986  10.290   2.969
  188   2HB   LEU  25          2HB       LEU  25  -5.320   9.684   4.447
  189    HG   LEU  25           HG       LEU  25  -3.799  11.877   4.455
  190   1HD1  LEU  25          1HD1      LEU  25  -6.052  12.774   2.519
  191   2HD1  LEU  25          2HD1      LEU  25  -4.945  13.870   3.377
  192   3HD1  LEU  25          3HD1      LEU  25  -4.311  12.761   2.164
  193   1HD2  LEU  25          1HD2      LEU  25  -6.847  12.025   4.959
  194   2HD2  LEU  25          2HD2      LEU  25  -5.625  11.406   6.098
  195   3HD2  LEU  25          3HD2      LEU  25  -5.619  13.118   5.645
  196    H    MET  26           H        MET  26  -5.201   9.568   0.594
  197    HA   MET  26           HA       MET  26  -3.051  10.480  -1.244
  198   1HB   MET  26          1HB       MET  26  -6.111  10.170  -1.586
  199   2HB   MET  26          2HB       MET  26  -5.077  10.763  -2.859
  200   1HG   MET  26          1HG       MET  26  -5.462   8.429  -3.284
  201   2HG   MET  26          2HG       MET  26  -3.754   8.623  -2.905
  202   1HE   MET  26          1HE       MET  26  -3.002   6.056  -1.052
  203   2HE   MET  26          2HE       MET  26  -3.150   7.123   0.375
  204   3HE   MET  26          3HE       MET  26  -2.552   7.776  -1.155
  205    HXT  MET  26           HO        OH  27  -2.245  12.333  -0.760
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1  -3.111  -8.205   6.722
    2   2H    TYR   1          2H        TYR   1  -2.175  -9.353   6.038
    3    HA   TYR   1           HA       TYR   1  -3.089  -8.891   3.829
    4   1HB   TYR   1          1HB       TYR   1  -5.330  -8.212   4.444
    5   2HB   TYR   1          2HB       TYR   1  -4.783  -6.995   5.559
    6    HD1  TYR   1           HD1      TYR   1  -4.628  -4.737   4.905
    7    HD2  TYR   1           HD2      TYR   1  -4.894  -7.714   1.817
    8    HE1  TYR   1           HE1      TYR   1  -4.806  -2.968   3.211
    9    HE2  TYR   1           HE2      TYR   1  -5.061  -5.909   0.119
   10    HH   TYR   1           HH       TYR   1  -4.676  -3.575  -0.223
   11    H    GLU   2           H        GLU   2  -1.121  -8.376   3.125
   12    HA   GLU   2           HA       GLU   2   0.333  -5.892   4.114
   13   1HB   GLU   2          2HB       GLU   2   2.315  -6.853   3.219
   14   2HB   GLU   2          1HB       GLU   2   1.518  -8.064   4.172
   15   1HG   GLU   2          1HG       GLU   2   2.070  -8.058   1.180
   16   2HG   GLU   2          2HG       GLU   2   2.440  -9.278   2.371
   17    H    VAL   3           H        VAL   3   0.109  -7.246   0.834
   18    HA   VAL   3           HA       VAL   3  -1.549  -4.888  -0.101
   19    HB   VAL   3           HB       VAL   3   0.434  -3.688  -0.422
   20   1HG1  VAL   3          1HG2      VAL   3   2.499  -4.369  -1.583
   21   2HG1  VAL   3          2HG2      VAL   3   2.209  -5.499  -0.257
   22   3HG1  VAL   3          3HG2      VAL   3   1.839  -5.986  -1.929
   23   1HG2  VAL   3          1HG1      VAL   3  -1.138  -3.623  -2.355
   24   2HG2  VAL   3          2HG1      VAL   3   0.531  -3.117  -2.712
   25   3HG2  VAL   3          3HG1      VAL   3  -0.041  -4.722  -3.214
   26    H    HIS   4           H        HIS   4  -3.023  -6.461  -0.525
   27    HA   HIS   4           HA       HIS   4  -2.424  -8.637  -2.595
   28   1HB   HIS   4          1HB       HIS   4  -5.021  -7.981  -1.040
   29   2HB   HIS   4          2HB       HIS   4  -4.875  -9.222  -2.250
   30    HD1  HIS   4           HD1      HIS   4  -5.226 -11.364  -0.786
   31    HD2  HIS   4           HD2      HIS   4  -2.249  -8.663   0.754
   32    HE1  HIS   4           HE1      HIS   4  -3.898 -12.474   1.155
   33    HE2  HIS   4           HE2      HIS   4  -1.972 -10.869   2.029
   34    H    HIS   5           H        HIS   5  -1.692  -6.734  -3.716
   35    HA   HIS   5           HA       HIS   5  -2.206  -4.524  -4.604
   36   1HB   HIS   5          1HB       HIS   5  -1.577  -6.967  -6.317
   37   2HB   HIS   5          2HB       HIS   5  -2.191  -5.684  -7.309
   38    HD1  HIS   5           HD1      HIS   5   0.932  -6.662  -7.292
   39    HD2  HIS   5           HD2      HIS   5  -0.810  -3.208  -5.405
   40    HE1  HIS   5           HE1      HIS   5   2.736  -4.829  -7.009
   41    HE2  HIS   5           HE2      HIS   5   1.828  -2.692  -5.945
   42    H    GLN   6           H        GLN   6  -3.464  -3.070  -4.923
   43    HA   GLN   6           HA       GLN   6  -5.817  -3.333  -6.711
   44   1HB   GLN   6          1HB       GLN   6  -7.135  -2.072  -4.603
   45   2HB   GLN   6          2HB       GLN   6  -7.251  -3.739  -5.027
   46   1HG   GLN   6          2HG       GLN   6  -7.036  -3.634  -2.623
   47   2HG   GLN   6          1HG       GLN   6  -5.668  -4.467  -3.314
   48   1HE2  GLN   6          1HE2      GLN   6  -6.329  -1.054  -2.673
   49   2HE2  GLN   6          2HE2      GLN   6  -4.720  -0.819  -1.780
   50    H    LYS   7           H        LYS   7  -5.338  -0.593  -4.506
   51    HA   LYS   7           HA       LYS   7  -3.843   0.951  -6.575
   52   1HB   LYS   7          2HB       LYS   7  -6.420   0.716  -7.410
   53   2HB   LYS   7          1HB       LYS   7  -6.774   1.933  -6.243
   54   1HG   LYS   7          2HG       LYS   7  -6.445   2.787  -8.610
   55   2HG   LYS   7          1HG       LYS   7  -5.446   3.608  -7.432
   56   1HD   LYS   7          1HD       LYS   7  -4.191   3.168  -9.547
   57   2HD   LYS   7          2HD       LYS   7  -3.424   2.501  -8.137
   58   1HE   LYS   7          1HE       LYS   7  -5.044   0.322  -9.060
   59   2HE   LYS   7          2HE       LYS   7  -4.618   1.091 -10.553
   60   1HZ   LYS   7          1HZ       LYS   7  -2.469   0.493  -8.454
   61   2HZ   LYS   7          2HZ       LYS   7  -2.952  -0.681  -9.453
   62   3HZ   LYS   7          3HZ       LYS   7  -2.235   0.690 -10.064
   63    H    LEU   8           H        LEU   8  -5.869   1.460  -3.807
   64    HA   LEU   8           HA       LEU   8  -5.063   4.266  -3.216
   65   1HB   LEU   8          1HB       LEU   8  -6.463   4.076  -1.311
   66   2HB   LEU   8          2HB       LEU   8  -7.195   3.014  -2.447
   67    HG   LEU   8           HG       LEU   8  -5.728   1.113  -1.023
   68   1HD1  LEU   8          1HD1      LEU   8  -4.633   2.609   0.543
   69   2HD1  LEU   8          2HD1      LEU   8  -6.188   3.350   1.008
   70   3HD1  LEU   8          3HD1      LEU   8  -5.816   1.654   1.421
   71   1HD2  LEU   8          1HD2      LEU   8  -7.737   0.726   0.406
   72   2HD2  LEU   8          2HD2      LEU   8  -8.343   2.361   0.074
   73   3HD2  LEU   8          3HD2      LEU   8  -8.283   1.143  -1.234
   74    H    VAL   9           H        VAL   9  -3.267   1.569  -2.637
   75    HA   VAL   9           HA       VAL   9  -2.101   1.840  -0.057
   76    HB   VAL   9           HB       VAL   9  -0.558   0.834  -2.518
   77   1HG1  VAL   9          1HG2      VAL   9   0.739  -0.521  -1.081
   78   2HG1  VAL   9          2HG2      VAL   9   0.918   1.137  -0.544
   79   3HG1  VAL   9          3HG2      VAL   9  -0.118   0.032   0.398
   80   1HG2  VAL   9          1HG1      VAL   9  -1.273  -1.480  -1.853
   81   2HG2  VAL   9          2HG1      VAL   9  -2.344  -0.819  -0.601
   82   3HG2  VAL   9          3HG1      VAL   9  -2.662  -0.521  -2.339
   83    H    PHE  10           H        PHE  10  -1.043   3.087   0.829
   84    HA   PHE  10           HA       PHE  10   1.004   5.145  -0.130
   85   1HB   PHE  10          2HB       PHE  10   0.273   6.331   2.094
   86   2HB   PHE  10          1HB       PHE  10  -0.898   6.305   0.822
   87    HD1  PHE  10           HD1      PHE  10  -0.093   4.861   4.211
   88    HD2  PHE  10           HD2      PHE  10  -3.034   5.096   1.097
   89    HE1  PHE  10           HE1      PHE  10  -1.599   3.365   5.438
   90    HE2  PHE  10           HE2      PHE  10  -4.545   3.737   2.445
   91    HZ   PHE  10           HZ       PHE  10  -3.905   2.833   4.529
   92    H    PHE  11           H        PHE  11   0.763   2.269   1.485
   93    HA   PHE  11           HA       PHE  11   3.207   2.635   3.313
   94   1HB   PHE  11          1HB       PHE  11   2.017   1.166   4.886
   95   2HB   PHE  11          2HB       PHE  11   0.939   2.448   4.478
   96    HD1  PHE  11           HD1      PHE  11   1.449  -1.168   4.398
   97    HD2  PHE  11           HD2      PHE  11  -1.063   1.911   2.800
   98    HE1  PHE  11           HE1      PHE  11  -0.304  -2.828   3.931
   99    HE2  PHE  11           HE2      PHE  11  -2.798   0.248   2.306
  100    HZ   PHE  11           HZ       PHE  11  -2.415  -2.136   2.858
  101    H    ALA  12           H        ALA  12   2.272   0.848   0.580
  102    HA   ALA  12           HA       ALA  12   4.399  -1.294   1.184
  103   1HB   ALA  12          1HB       ALA  12   2.630  -2.997   0.550
  104   2HB   ALA  12          2HB       ALA  12   2.135  -2.033   1.977
  105   3HB   ALA  12          3HB       ALA  12   1.422  -1.725   0.405
  106    H    GLU  13           H        GLU  13   2.354  -1.980  -1.566
  107    HA   GLU  13           HA       GLU  13   4.600  -0.974  -3.398
  108   1HB   GLU  13          1HB       GLU  13   4.546  -3.593  -2.500
  109   2HB   GLU  13          2HB       GLU  13   3.282  -3.758  -3.709
  110   1HG   GLU  13          2HG       GLU  13   5.124  -2.768  -5.399
  111   2HG   GLU  13          1HG       GLU  13   6.248  -2.996  -4.074
  112    H    ASP  14           H        ASP  14   1.527  -0.361  -3.244
  113    HA   ASP  14           HA       ASP  14   1.160  -0.518  -6.340
  114   1HB   ASP  14          2HB       ASP  14  -0.814  -0.938  -4.476
  115   2HB   ASP  14          1HB       ASP  14  -0.990   0.807  -4.625
  116    H    VAL  15           H        VAL  15   3.230   0.787  -5.467
  117    HA   VAL  15           HA       VAL  15   3.897   2.996  -6.850
  118    HB   VAL  15           HB       VAL  15   1.982   4.364  -5.923
  119   1HG1  VAL  15          1HG2      VAL  15   1.966   3.533  -3.505
  120   2HG1  VAL  15          2HG2      VAL  15   3.488   4.400  -3.219
  121   3HG1  VAL  15          3HG2      VAL  15   2.019   5.307  -3.599
  122   1HG2  VAL  15          1HG1      VAL  15   4.685   5.603  -5.243
  123   2HG2  VAL  15          2HG1      VAL  15   3.912   5.573  -6.840
  124   3HG2  VAL  15          3HG1      VAL  15   3.164   6.479  -5.506
  125    H    GLY  16           H        GLY  16   4.112   1.609  -3.520
  126   1HA   GLY  16          1HA       GLY  16   6.393   0.900  -2.669
  127   2HA   GLY  16          2HA       GLY  16   7.155   2.151  -3.615
  128    H    SER  17           H        SER  17   4.617   1.953  -1.218
  129    HA   SER  17           HA       SER  17   4.027   3.248   0.747
  130   1HB   SER  17          1HB       SER  17   7.114   3.395   0.988
  131   2HB   SER  17          2HB       SER  17   5.968   3.608   2.307
  132    HG   SER  17           HG       SER  17   6.089   1.256   0.717
  133    H    ASN  18           H        ASN  18   3.734   5.102  -1.419
  134    HA   ASN  18           HA       ASN  18   3.809   7.642   0.056
  135   1HB   ASN  18          2HB       ASN  18   5.465   8.924  -1.345
  136   2HB   ASN  18          1HB       ASN  18   6.201   7.719  -0.350
  137   1HD2  ASN  18          2HD2      ASN  18   4.978   7.953  -3.641
  138   2HD2  ASN  18          1HD2      ASN  18   6.502   7.187  -4.389
  139    H    LYS  19           H        LYS  19   1.588   6.890  -0.874
  140    HA   LYS  19           HA       LYS  19   0.961   7.827  -3.716
  141   1HB   LYS  19          1HB       LYS  19  -0.055   5.804  -2.508
  142   2HB   LYS  19          2HB       LYS  19  -0.799   6.847  -1.361
  143   1HG   LYS  19          1HG       LYS  19  -2.452   6.084  -2.967
  144   2HG   LYS  19          2HG       LYS  19  -2.293   7.814  -3.123
  145   1HD   LYS  19          1HD       LYS  19  -2.569   6.608  -5.311
  146   2HD   LYS  19          2HD       LYS  19  -1.191   7.676  -5.246
  147   1HE   LYS  19          2HE       LYS  19  -0.625   5.603  -6.461
  148   2HE   LYS  19          1HE       LYS  19   0.397   5.817  -5.059
  149   1HZ   LYS  19          1HZ       LYS  19  -2.024   3.947  -5.079
  150   2HZ   LYS  19          2HZ       LYS  19  -0.458   3.474  -5.288
  151   3HZ   LYS  19          3HZ       LYS  19  -0.929   4.105  -3.848
  152    H    GLY  20           H        GLY  20   2.020   9.929  -2.929
  153   1HA   GLY  20          2HA       GLY  20   1.845  12.334  -2.259
  154   2HA   GLY  20          1HA       GLY  20   0.099  12.186  -2.546
  155    H    ALA  21           H        ALA  21   2.255  10.461  -0.371
  156    HA   ALA  21           HA       ALA  21   0.636  11.226   2.148
  157   1HB   ALA  21          1HB       ALA  21   0.472   8.681   2.451
  158   2HB   ALA  21          2HB       ALA  21  -0.195   9.139   0.866
  159   3HB   ALA  21          3HB       ALA  21   1.414   8.430   0.982
  160    H    ILE  22           H        ILE  22   3.487   9.226   1.357
  161    HA   ILE  22           HA       ILE  22   5.415   8.628   2.671
  162    HB   ILE  22           HB       ILE  22   5.011  11.284   4.183
  163   1HG1  ILE  22          1HG1      ILE  22   5.041  11.982   1.862
  164   2HG1  ILE  22          2HG1      ILE  22   6.523  12.461   2.635
  165   1HG2  ILE  22          1HG2      ILE  22   6.761   9.899   5.258
  166   2HG2  ILE  22          2HG2      ILE  22   7.589   9.649   3.709
  167   3HG2  ILE  22          3HG2      ILE  22   7.528  11.262   4.457
  168   1HD1  ILE  22          1HD1      ILE  22   6.247  10.045   0.709
  169   2HD1  ILE  22          2HD1      ILE  22   6.950  11.629   0.311
  170   3HD1  ILE  22          3HD1      ILE  22   7.769  10.563   1.472
  171    H    ILE  23           H        ILE  23   2.751   7.731   3.347
  172    HA   ILE  23           HA       ILE  23   1.563   6.472   4.900
  173    HB   ILE  23           HB       ILE  23   4.099   6.521   6.682
  174   1HG1  ILE  23          1HG1      ILE  23   3.379   4.288   4.688
  175   2HG1  ILE  23          2HG1      ILE  23   4.491   5.565   4.275
  176   1HG2  ILE  23          1HG2      ILE  23   2.025   5.697   7.888
  177   2HG2  ILE  23          2HG2      ILE  23   1.764   4.467   6.628
  178   3HG2  ILE  23          3HG2      ILE  23   3.191   4.393   7.688
  179   1HD1  ILE  23          1HD1      ILE  23   4.984   3.537   6.540
  180   2HD1  ILE  23          2HD1      ILE  23   5.814   3.638   4.975
  181   3HD1  ILE  23          3HD1      ILE  23   6.034   4.931   6.176
  182    H    GLY  24           H        GLY  24   0.166   8.260   5.156
  183   1HA   GLY  24          1HA       GLY  24  -0.427   9.048   7.878
  184   2HA   GLY  24          2HA       GLY  24   0.589  10.331   7.262
  185    H    LEU  25           H        LEU  25  -0.411  10.840   4.726
  186    HA   LEU  25           HA       LEU  25  -3.396  11.424   5.147
  187   1HB   LEU  25          1HB       LEU  25  -1.927  13.335   6.024
  188   2HB   LEU  25          2HB       LEU  25  -1.228  13.502   4.428
  189    HG   LEU  25           HG       LEU  25  -3.571  14.093   3.527
  190   1HD1  LEU  25          1HD1      LEU  25  -5.301  14.837   5.213
  191   2HD1  LEU  25          2HD1      LEU  25  -5.005  13.097   5.348
  192   3HD1  LEU  25          3HD1      LEU  25  -4.298  14.210   6.542
  193   1HD2  LEU  25          1HD2      LEU  25  -2.420  15.905   5.756
  194   2HD2  LEU  25          2HD2      LEU  25  -1.865  15.847   4.065
  195   3HD2  LEU  25          3HD2      LEU  25  -3.498  16.425   4.439
  196    H    MET  26           H        MET  26  -4.461  10.742   3.374
  197    HA   MET  26           HA       MET  26  -3.093  10.084   0.801
  198   1HB   MET  26          1HB       MET  26  -5.119   8.874   1.941
  199   2HB   MET  26          2HB       MET  26  -6.111  10.235   1.454
  200   1HG   MET  26          1HG       MET  26  -6.524   9.000  -0.429
  201   2HG   MET  26          2HG       MET  26  -4.946   9.486  -1.031
  202   1HE   MET  26          1HE       MET  26  -2.703   7.524   0.723
  203   2HE   MET  26          2HE       MET  26  -2.820   8.109  -0.968
  204   3HE   MET  26          3HE       MET  26  -2.744   6.377  -0.628
  205    HXT  MET  26           HO        OH  27  -2.253  12.245   0.746
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1   3.713  -9.678   3.987
    2   2H    TYR   1          2H        TYR   1   2.905  -9.763   5.407
    3    HA   TYR   1           HA       TYR   1   0.762  -9.705   4.246
    4   1HB   TYR   1          2HB       TYR   1   1.937  -7.681   5.236
    5   2HB   TYR   1          1HB       TYR   1   2.770  -7.412   3.725
    6    HD1  TYR   1           HD1      TYR   1   1.962  -5.359   2.895
    7    HD2  TYR   1           HD2      TYR   1  -0.940  -8.105   4.500
    8    HE1  TYR   1           HE1      TYR   1   0.147  -3.843   2.241
    9    HE2  TYR   1           HE2      TYR   1  -2.743  -6.581   3.811
   10    HH   TYR   1           HH       TYR   1  -2.036  -3.499   2.194
   11    H    GLU   2           H        GLU   2  -0.192 -10.327   2.446
   12    HA   GLU   2           HA       GLU   2   1.293 -10.548  -0.204
   13   1HB   GLU   2          1HB       GLU   2   0.320 -12.623   0.988
   14   2HB   GLU   2          2HB       GLU   2  -1.286 -11.952   0.746
   15   1HG   GLU   2          1HG       GLU   2  -0.775 -11.959  -1.824
   16   2HG   GLU   2          2HG       GLU   2   0.742 -12.773  -1.456
   17    H    VAL   3           H        VAL   3   1.028  -8.396  -0.428
   18    HA   VAL   3           HA       VAL   3  -1.376  -6.750  -0.597
   19    HB   VAL   3           HB       VAL   3   0.917  -6.244  -2.616
   20   1HG1  VAL   3          1HG2      VAL   3   0.338  -3.839  -2.272
   21   2HG1  VAL   3          2HG2      VAL   3  -1.098  -4.728  -2.766
   22   3HG1  VAL   3          3HG2      VAL   3  -0.892  -4.269  -1.063
   23   1HG2  VAL   3          1HG1      VAL   3   2.171  -4.879  -1.003
   24   2HG2  VAL   3          2HG1      VAL   3   1.060  -5.323   0.313
   25   3HG2  VAL   3          3HG1      VAL   3   2.118  -6.546  -0.423
   26    H    HIS   4           H        HIS   4  -3.150  -7.397  -1.726
   27    HA   HIS   4           HA       HIS   4  -2.965  -8.646  -4.497
   28   1HB   HIS   4          1HB       HIS   4  -5.402  -8.032  -2.707
   29   2HB   HIS   4          2HB       HIS   4  -5.490  -8.776  -4.283
   30    HD1  HIS   4           HD1      HIS   4  -6.801 -10.473  -2.242
   31    HD2  HIS   4           HD2      HIS   4  -2.565 -10.599  -2.928
   32    HE1  HIS   4           HE1      HIS   4  -5.810 -12.717  -1.368
   33    HE2  HIS   4           HE2      HIS   4  -3.238 -12.887  -1.737
   34    H    HIS   5           H        HIS   5  -1.901  -6.803  -5.312
   35    HA   HIS   5           HA       HIS   5  -2.285  -4.206  -5.461
   36   1HB   HIS   5          1HB       HIS   5  -1.727  -6.349  -7.673
   37   2HB   HIS   5          2HB       HIS   5  -1.869  -4.719  -8.237
   38    HD1  HIS   5           HD1      HIS   5   0.998  -6.697  -7.518
   39    HD2  HIS   5           HD2      HIS   5  -0.631  -3.009  -6.159
   40    HE1  HIS   5           HE1      HIS   5   2.937  -5.196  -6.681
   41    HE2  HIS   5           HE2      HIS   5   2.123  -2.861  -5.908
   42    H    GLN   6           H        GLN   6  -3.322  -2.516  -6.094
   43    HA   GLN   6           HA       GLN   6  -5.352  -2.567  -8.172
   44   1HB   GLN   6          2HB       GLN   6  -7.286  -1.814  -6.472
   45   2HB   GLN   6          1HB       GLN   6  -6.933  -3.491  -6.729
   46   1HG   GLN   6          2HG       GLN   6  -7.330  -3.322  -4.406
   47   2HG   GLN   6          1HG       GLN   6  -5.637  -3.652  -4.582
   48   1HE2  GLN   6          1HE2      GLN   6  -4.153  -2.082  -3.886
   49   2HE2  GLN   6          2HE2      GLN   6  -4.750  -0.771  -2.745
   50    H    LYS   7           H        LYS   7  -5.298  -0.362  -5.381
   51    HA   LYS   7           HA       LYS   7  -3.664   1.682  -6.764
   52   1HB   LYS   7          2HB       LYS   7  -5.294   3.299  -7.491
   53   2HB   LYS   7          1HB       LYS   7  -5.734   1.815  -8.247
   54   1HG   LYS   7          1HG       LYS   7  -7.194   3.059  -5.812
   55   2HG   LYS   7          2HG       LYS   7  -7.636   3.282  -7.491
   56   1HD   LYS   7          2HD       LYS   7  -8.028   0.777  -7.732
   57   2HD   LYS   7          1HD       LYS   7  -7.670   0.574  -6.013
   58   1HE   LYS   7          1HE       LYS   7  -9.582   2.103  -5.382
   59   2HE   LYS   7          2HE       LYS   7  -9.942   2.399  -7.087
   60   1HZ   LYS   7          1HZ       LYS   7 -10.378  -0.045  -7.359
   61   2HZ   LYS   7          2HZ       LYS   7 -10.036  -0.329  -5.781
   62   3HZ   LYS   7          3HZ       LYS   7 -11.361   0.556  -6.188
   63    H    LEU   8           H        LEU   8  -5.667   1.082  -3.919
   64    HA   LEU   8           HA       LEU   8  -5.596   3.784  -2.737
   65   1HB   LEU   8          1HB       LEU   8  -7.254   2.293  -1.939
   66   2HB   LEU   8          2HB       LEU   8  -6.215   0.899  -1.888
   67    HG   LEU   8           HG       LEU   8  -5.164   1.564   0.214
   68   1HD1  LEU   8          1HD1      LEU   8  -5.342   4.028   0.229
   69   2HD1  LEU   8          2HD1      LEU   8  -7.124   3.938   0.238
   70   3HD1  LEU   8          3HD1      LEU   8  -6.176   3.359   1.634
   71   1HD2  LEU   8          1HD2      LEU   8  -8.236   1.504   0.370
   72   2HD2  LEU   8          2HD2      LEU   8  -7.170   0.083   0.211
   73   3HD2  LEU   8          3HD2      LEU   8  -7.095   1.085   1.669
   74    H    VAL   9           H        VAL   9  -3.646   1.102  -1.942
   75    HA   VAL   9           HA       VAL   9  -2.165   1.800   0.245
   76    HB   VAL   9           HB       VAL   9  -0.854   0.384  -2.155
   77   1HG1  VAL   9          1HG2      VAL   9  -0.139   0.037   0.821
   78   2HG1  VAL   9          2HG2      VAL   9   0.609  -0.703  -0.631
   79   3HG1  VAL   9          3HG2      VAL   9   0.822   1.001  -0.334
   80   1HG2  VAL   9          1HG1      VAL   9  -2.908  -0.873  -1.535
   81   2HG2  VAL   9          2HG1      VAL   9  -1.477  -1.775  -1.082
   82   3HG2  VAL   9          3HG1      VAL   9  -2.406  -0.916   0.182
   83    H    PHE  10           H        PHE  10  -0.884   2.908   0.885
   84    HA   PHE  10           HA       PHE  10   1.045   4.895  -0.400
   85   1HB   PHE  10          2HB       PHE  10   0.335   6.339   1.621
   86   2HB   PHE  10          1HB       PHE  10  -0.926   6.060   0.470
   87    HD1  PHE  10           HD1      PHE  10   0.207   5.369   3.911
   88    HD2  PHE  10           HD2      PHE  10  -2.959   4.702   1.097
   89    HE1  PHE  10           HE1      PHE  10  -1.015   4.097   5.569
   90    HE2  PHE  10           HE2      PHE  10  -4.225   3.483   2.812
   91    HZ   PHE  10           HZ       PHE  10  -3.326   3.218   5.066
   92    H    PHE  11           H        PHE  11   1.080   2.169   1.279
   93    HA   PHE  11           HA       PHE  11   3.506   2.788   3.064
   94   1HB   PHE  11          1HB       PHE  11   2.603   1.175   4.721
   95   2HB   PHE  11          2HB       PHE  11   1.569   2.540   4.508
   96    HD1  PHE  11           HD1      PHE  11   1.586  -1.081   4.634
   97    HD2  PHE  11           HD2      PHE  11  -0.571   2.243   2.992
   98    HE1  PHE  11           HE1      PHE  11  -0.448  -2.467   4.439
   99    HE2  PHE  11           HE2      PHE  11  -2.574   0.863   2.783
  100    HZ   PHE  11           HZ       PHE  11  -2.550  -1.463   3.487
  101    H    ALA  12           H        ALA  12   1.865   0.171   1.245
  102    HA   ALA  12           HA       ALA  12   4.405  -1.510   1.308
  103   1HB   ALA  12          1HB       ALA  12   2.180  -2.372   2.085
  104   2HB   ALA  12          2HB       ALA  12   1.499  -2.118   0.466
  105   3HB   ALA  12          3HB       ALA  12   2.815  -3.267   0.659
  106    H    GLU  13           H        GLU  13   2.221  -1.954  -1.442
  107    HA   GLU  13           HA       GLU  13   4.477  -0.925  -3.250
  108   1HB   GLU  13          2HB       GLU  13   4.471  -3.546  -2.399
  109   2HB   GLU  13          1HB       GLU  13   3.223  -3.720  -3.619
  110   1HG   GLU  13          2HG       GLU  13   5.149  -2.575  -5.217
  111   2HG   GLU  13          1HG       GLU  13   6.209  -2.984  -3.886
  112    H    ASP  14           H        ASP  14   1.429  -0.259  -3.115
  113    HA   ASP  14           HA       ASP  14   0.883  -0.533  -6.161
  114   1HB   ASP  14          1HB       ASP  14  -0.837   0.994  -4.101
  115   2HB   ASP  14          2HB       ASP  14  -1.212   0.727  -5.772
  116    H    VAL  15           H        VAL  15   3.056   0.916  -4.938
  117    HA   VAL  15           HA       VAL  15   3.902   2.915  -6.676
  118    HB   VAL  15           HB       VAL  15   2.008   4.382  -5.883
  119   1HG1  VAL  15          1HG2      VAL  15   3.359   4.394  -3.100
  120   2HG1  VAL  15          2HG2      VAL  15   2.012   5.420  -3.606
  121   3HG1  VAL  15          3HG2      VAL  15   1.781   3.661  -3.475
  122   1HG2  VAL  15          1HG1      VAL  15   3.191   6.484  -5.495
  123   2HG2  VAL  15          2HG1      VAL  15   4.672   5.630  -5.029
  124   3HG2  VAL  15          3HG1      VAL  15   4.073   5.518  -6.700
  125    H    GLY  16           H        GLY  16   4.100   1.552  -3.310
  126   1HA   GLY  16          1HA       GLY  16   6.330   0.923  -2.386
  127   2HA   GLY  16          2HA       GLY  16   7.131   2.041  -3.462
  128    H    SER  17           H        SER  17   4.866   1.938  -0.850
  129    HA   SER  17           HA       SER  17   4.361   3.383   1.035
  130   1HB   SER  17          1HB       SER  17   7.388   3.919   0.929
  131   2HB   SER  17          2HB       SER  17   6.358   3.980   2.354
  132    HG   SER  17           HG       SER  17   5.957   1.613   1.920
  133    H    ASN  18           H        ASN  18   3.789   5.112  -1.286
  134    HA   ASN  18           HA       ASN  18   3.648   7.648   0.104
  135   1HB   ASN  18          1HB       ASN  18   6.183   7.715  -0.533
  136   2HB   ASN  18          2HB       ASN  18   5.701   7.740  -2.218
  137   1HD2  ASN  18          2HD2      ASN  18   7.047   9.771  -1.931
  138   2HD2  ASN  18          1HD2      ASN  18   6.120  11.280  -1.425
  139    H    LYS  19           H        LYS  19   1.561   7.084  -0.657
  140    HA   LYS  19           HA       LYS  19   0.929   7.895  -3.603
  141   1HB   LYS  19          1HB       LYS  19   0.035   5.645  -2.759
  142   2HB   LYS  19          2HB       LYS  19  -0.886   6.462  -1.579
  143   1HG   LYS  19          1HG       LYS  19  -2.510   7.205  -3.052
  144   2HG   LYS  19          2HG       LYS  19  -1.395   7.688  -4.295
  145   1HD   LYS  19          1HD       LYS  19  -2.213   4.776  -3.730
  146   2HD   LYS  19          2HD       LYS  19  -2.972   5.823  -4.934
  147   1HE   LYS  19          2HE       LYS  19  -0.698   6.092  -6.121
  148   2HE   LYS  19          1HE       LYS  19   0.018   5.023  -4.922
  149   1HZ   LYS  19          1HZ       LYS  19  -0.642   3.323  -6.312
  150   2HZ   LYS  19          2HZ       LYS  19  -2.175   3.578  -5.696
  151   3HZ   LYS  19          3HZ       LYS  19  -1.757   4.245  -7.139
  152    H    GLY  20           H        GLY  20   1.622   9.947  -2.669
  153   1HA   GLY  20          2HA       GLY  20   1.129  12.298  -1.808
  154   2HA   GLY  20          1HA       GLY  20  -0.597  11.883  -2.023
  155    H    ALA  21           H        ALA  21   2.020  10.553  -0.016
  156    HA   ALA  21           HA       ALA  21   0.376  11.015   2.538
  157   1HB   ALA  21          1HB       ALA  21   0.359   8.449   2.818
  158   2HB   ALA  21          2HB       ALA  21  -0.307   8.839   1.205
  159   3HB   ALA  21          3HB       ALA  21   1.339   8.281   1.362
  160    H    ILE  22           H        ILE  22   3.332   9.245   1.524
  161    HA   ILE  22           HA       ILE  22   5.318   8.663   2.737
  162    HB   ILE  22           HB       ILE  22   4.881  11.349   4.229
  163   1HG1  ILE  22          1HG1      ILE  22   6.851  12.077   2.493
  164   2HG1  ILE  22          2HG1      ILE  22   6.192  10.809   1.493
  165   1HG2  ILE  22          1HG2      ILE  22   7.397  11.336   4.534
  166   2HG2  ILE  22          2HG2      ILE  22   6.648   9.997   5.364
  167   3HG2  ILE  22          3HG2      ILE  22   7.476   9.707   3.819
  168   1HD1  ILE  22          1HD1      ILE  22   5.337  13.154   0.984
  169   2HD1  ILE  22          2HD1      ILE  22   3.995  12.077   1.384
  170   3HD1  ILE  22          3HD1      ILE  22   4.590  13.238   2.596
  171    H    ILE  23           H        ILE  23   2.665   7.657   3.562
  172    HA   ILE  23           HA       ILE  23   1.600   6.384   5.251
  173    HB   ILE  23           HB       ILE  23   4.313   6.369   6.717
  174   1HG1  ILE  23          1HG1      ILE  23   3.247   4.292   4.697
  175   2HG1  ILE  23          2HG1      ILE  23   4.473   5.473   4.313
  176   1HG2  ILE  23          1HG2      ILE  23   1.920   4.388   6.901
  177   2HG2  ILE  23          2HG2      ILE  23   3.446   4.267   7.807
  178   3HG2  ILE  23          3HG2      ILE  23   2.342   5.597   8.135
  179   1HD1  ILE  23          1HD1      ILE  23   4.852   3.195   6.350
  180   2HD1  ILE  23          2HD1      ILE  23   5.618   3.373   4.759
  181   3HD1  ILE  23          3HD1      ILE  23   6.031   4.503   6.069
  182    H    GLY  24           H        GLY  24   0.435   8.472   5.433
  183   1HA   GLY  24          1HA       GLY  24  -0.111   9.205   8.177
  184   2HA   GLY  24          2HA       GLY  24   1.119  10.337   7.673
  185    H    LEU  25           H        LEU  25  -0.297  10.603   4.863
  186    HA   LEU  25           HA       LEU  25  -2.496  12.519   5.924
  187   1HB   LEU  25          1HB       LEU  25  -0.757  12.715   3.382
  188   2HB   LEU  25          2HB       LEU  25  -2.138  13.734   3.697
  189    HG   LEU  25           HG       LEU  25   0.312  13.614   5.564
  190   1HD1  LEU  25          1HD1      LEU  25  -0.337  15.656   3.331
  191   2HD1  LEU  25          2HD1      LEU  25   1.012  15.766   4.487
  192   3HD1  LEU  25          3HD1      LEU  25   0.974  14.451   3.299
  193   1HD2  LEU  25          1HD2      LEU  25  -1.732  14.504   6.724
  194   2HD2  LEU  25          2HD2      LEU  25  -0.581  15.815   6.438
  195   3HD2  LEU  25          3HD2      LEU  25  -2.018  15.660   5.400
  196    H    MET  26           H        MET  26  -2.168  11.270   2.563
  197    HA   MET  26           HA       MET  26  -5.008  10.246   2.724
  198   1HB   MET  26          1HB       MET  26  -4.075  11.303   0.630
  199   2HB   MET  26          2HB       MET  26  -2.892  10.035   0.457
  200   1HG   MET  26          1HG       MET  26  -5.594   8.784   0.654
  201   2HG   MET  26          2HG       MET  26  -5.621  10.088  -0.521
  202   1HE   MET  26          1HE       MET  26  -3.700   6.825   0.683
  203   2HE   MET  26          2HE       MET  26  -2.241   7.701   0.157
  204   3HE   MET  26          3HE       MET  26  -2.835   6.321  -0.771
  205    HXT  MET  26           HO        OH  27  -1.924   8.917   2.149
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1  -2.476  -1.896   5.532
    2   2H    TYR   1          2H        TYR   1  -1.188  -2.187   6.494
    3    HA   TYR   1           HA       TYR   1  -2.542  -3.468   8.057
    4   1HB   TYR   1          1HB       TYR   1  -4.872  -3.941   7.526
    5   2HB   TYR   1          2HB       TYR   1  -4.630  -2.241   7.679
    6    HD1  TYR   1           HD1      TYR   1  -5.838  -4.888   5.475
    7    HD2  TYR   1           HD2      TYR   1  -4.696  -0.742   5.567
    8    HE1  TYR   1           HE1      TYR   1  -7.089  -4.492   3.400
    9    HE2  TYR   1           HE2      TYR   1  -5.964  -0.358   3.491
   10    HH   TYR   1           HH       TYR   1  -7.776  -2.972   1.918
   11    H    GLU   2           H        GLU   2  -3.152  -3.981   4.499
   12    HA   GLU   2           HA       GLU   2  -1.224  -6.324   4.547
   13   1HB   GLU   2          1HB       GLU   2  -3.438  -7.244   5.384
   14   2HB   GLU   2          2HB       GLU   2  -4.230  -6.764   3.899
   15   1HG   GLU   2          1HG       GLU   2  -1.912  -8.830   4.073
   16   2HG   GLU   2          2HG       GLU   2  -3.617  -9.239   4.078
   17    H    VAL   3           H        VAL   3  -3.761  -4.965   2.447
   18    HA   VAL   3           HA       VAL   3  -2.949  -5.813  -0.077
   19    HB   VAL   3           HB       VAL   3  -3.714  -3.641  -1.155
   20   1HG1  VAL   3          1HG2      VAL   3  -5.693  -4.836   0.853
   21   2HG1  VAL   3          2HG2      VAL   3  -6.085  -3.903  -0.621
   22   3HG1  VAL   3          3HG2      VAL   3  -5.282  -5.480  -0.757
   23   1HG2  VAL   3          1HG1      VAL   3  -3.145  -1.948   0.654
   24   2HG2  VAL   3          2HG1      VAL   3  -4.844  -1.850   0.160
   25   3HG2  VAL   3          3HG1      VAL   3  -4.386  -2.635   1.695
   26    H    HIS   4           H        HIS   4  -1.296  -5.812  -1.229
   27    HA   HIS   4           HA       HIS   4   0.774  -3.578  -1.179
   28   1HB   HIS   4          1HB       HIS   4   2.559  -5.195  -1.588
   29   2HB   HIS   4          2HB       HIS   4   1.805  -5.351  -0.029
   30    HD1  HIS   4           HD1      HIS   4   2.810  -7.303  -2.973
   31    HD2  HIS   4           HD2      HIS   4   0.001  -7.417   0.221
   32    HE1  HIS   4           HE1      HIS   4   1.931  -9.813  -2.672
   33    HE2  HIS   4           HE2      HIS   4   0.185  -9.958  -0.701
   34    H    HIS   5           H        HIS   5  -0.272  -2.585  -2.775
   35    HA   HIS   5           HA       HIS   5  -0.422  -1.743  -4.971
   36   1HB   HIS   5          2HB       HIS   5   0.391  -2.744  -6.857
   37   2HB   HIS   5          1HB       HIS   5   1.366  -3.529  -5.662
   38    HD1  HIS   5           HD1      HIS   5   1.453  -4.927  -8.263
   39    HD2  HIS   5           HD2      HIS   5  -1.609  -5.481  -5.373
   40    HE1  HIS   5           HE1      HIS   5   0.249  -7.181  -8.762
   41    HE2  HIS   5           HE2      HIS   5  -1.697  -7.631  -7.093
   42    H    GLN   6           H        GLN   6  -2.024  -1.942  -6.870
   43    HA   GLN   6           HA       GLN   6  -4.035  -2.902  -7.755
   44   1HB   GLN   6          2HB       GLN   6  -4.602  -4.274  -5.567
   45   2HB   GLN   6          1HB       GLN   6  -5.432  -2.847  -4.993
   46   1HG   GLN   6          1HG       GLN   6  -5.963  -4.627  -7.486
   47   2HG   GLN   6          2HG       GLN   6  -6.896  -4.590  -6.018
   48   1HE2  GLN   6          1HE2      GLN   6  -5.964  -2.473  -8.690
   49   2HE2  GLN   6          2HE2      GLN   6  -7.623  -1.703  -8.837
   50    H    LYS   7           H        LYS   7  -4.653  -0.779  -4.974
   51    HA   LYS   7           HA       LYS   7  -4.767   1.639  -6.865
   52   1HB   LYS   7          1HB       LYS   7  -7.194   2.149  -6.522
   53   2HB   LYS   7          2HB       LYS   7  -6.945   0.607  -7.283
   54   1HG   LYS   7          1HG       LYS   7  -7.417  -0.561  -5.048
   55   2HG   LYS   7          2HG       LYS   7  -7.783   1.010  -4.329
   56   1HD   LYS   7          1HD       LYS   7  -9.615   1.385  -5.997
   57   2HD   LYS   7          2HD       LYS   7  -9.255  -0.121  -6.811
   58   1HE   LYS   7          2HE       LYS   7 -10.237   0.102  -3.865
   59   2HE   LYS   7          1HE       LYS   7 -11.275  -0.178  -5.256
   60   1HZ   LYS   7          1HZ       LYS   7 -10.819  -2.409  -4.703
   61   2HZ   LYS   7          2HZ       LYS   7  -9.499  -2.173  -5.671
   62   3HZ   LYS   7          3HZ       LYS   7  -9.340  -2.090  -4.051
   63    H    LEU   8           H        LEU   8  -5.644   1.006  -3.472
   64    HA   LEU   8           HA       LEU   8  -5.222   3.980  -2.818
   65   1HB   LEU   8          2HB       LEU   8  -6.459   3.471  -0.800
   66   2HB   LEU   8          1HB       LEU   8  -7.262   2.654  -2.088
   67    HG   LEU   8           HG       LEU   8  -5.670   0.535  -1.156
   68   1HD1  LEU   8          1HD1      LEU   8  -4.595   1.755   0.694
   69   2HD1  LEU   8          2HD1      LEU   8  -6.195   2.157   1.373
   70   3HD1  LEU   8          3HD1      LEU   8  -5.630   0.469   1.287
   71   1HD2  LEU   8          1HD2      LEU   8  -8.211   0.493  -1.351
   72   2HD2  LEU   8          2HD2      LEU   8  -7.649  -0.231   0.173
   73   3HD2  LEU   8          3HD2      LEU   8  -8.324   1.412   0.177
   74    H    VAL   9           H        VAL   9  -3.096   1.514  -2.757
   75    HA   VAL   9           HA       VAL   9  -2.052   1.562  -0.038
   76    HB   VAL   9           HB       VAL   9  -0.494   0.573  -2.478
   77   1HG1  VAL   9          1HG2      VAL   9   0.267  -1.174  -0.910
   78   2HG1  VAL   9          2HG2      VAL   9   0.701   0.454  -0.367
   79   3HG1  VAL   9          3HG2      VAL   9  -0.637  -0.419   0.417
   80   1HG2  VAL   9          1HG1      VAL   9  -2.941  -0.727  -1.137
   81   2HG2  VAL   9          2HG1      VAL   9  -2.603  -0.604  -2.869
   82   3HG2  VAL   9          3HG1      VAL   9  -1.712  -1.762  -1.870
   83    H    PHE  10           H        PHE  10  -1.564   3.348   0.674
   84    HA   PHE  10           HA       PHE  10   0.644   5.239  -0.079
   85   1HB   PHE  10          1HB       PHE  10  -0.002   6.222   2.286
   86   2HB   PHE  10          2HB       PHE  10  -1.197   6.303   1.046
   87    HD1  PHE  10           HD1      PHE  10  -0.396   4.667   4.342
   88    HD2  PHE  10           HD2      PHE  10  -3.253   5.039   1.194
   89    HE1  PHE  10           HE1      PHE  10  -1.880   3.027   5.428
   90    HE2  PHE  10           HE2      PHE  10  -4.734   3.466   2.327
   91    HZ   PHE  10           HZ       PHE  10  -4.088   2.430   4.414
   92    H    PHE  11           H        PHE  11   0.331   2.466   1.916
   93    HA   PHE  11           HA       PHE  11   2.885   2.915   3.513
   94   1HB   PHE  11          2HB       PHE  11   1.985   1.169   4.947
   95   2HB   PHE  11          1HB       PHE  11   0.731   2.314   4.670
   96    HD1  PHE  11           HD1      PHE  11   1.646  -1.200   4.426
   97    HD2  PHE  11           HD2      PHE  11  -1.195   1.644   2.933
   98    HE1  PHE  11           HE1      PHE  11   0.076  -3.027   3.886
   99    HE2  PHE  11           HE2      PHE  11  -2.781  -0.162   2.480
  100    HZ   PHE  11           HZ       PHE  11  -2.142  -2.500   2.924
  101    H    ALA  12           H        ALA  12   1.924   0.948   0.785
  102    HA   ALA  12           HA       ALA  12   4.487  -0.756   1.138
  103   1HB   ALA  12          1HB       ALA  12   1.536  -1.577   0.734
  104   2HB   ALA  12          2HB       ALA  12   2.890  -2.697   0.617
  105   3HB   ALA  12          3HB       ALA  12   2.544  -1.834   2.153
  106    H    GLU  13           H        GLU  13   2.085  -1.426  -1.387
  107    HA   GLU  13           HA       GLU  13   4.397  -1.037  -3.377
  108   1HB   GLU  13          2HB       GLU  13   3.906  -3.426  -2.260
  109   2HB   GLU  13          1HB       GLU  13   2.416  -3.369  -3.166
  110   1HG   GLU  13          1HG       GLU  13   4.024  -3.208  -5.279
  111   2HG   GLU  13          2HG       GLU  13   5.251  -3.726  -4.136
  112    H    ASP  14           H        ASP  14   1.353   0.026  -3.264
  113    HA   ASP  14           HA       ASP  14   0.951  -0.158  -6.323
  114   1HB   ASP  14          1HB       ASP  14  -1.024   0.178  -4.505
  115   2HB   ASP  14          2HB       ASP  14  -0.598   1.867  -4.571
  116    H    VAL  15           H        VAL  15   3.306   0.994  -5.158
  117    HA   VAL  15           HA       VAL  15   4.394   2.837  -6.931
  118    HB   VAL  15           HB       VAL  15   2.734   4.569  -6.321
  119   1HG1  VAL  15          1HG2      VAL  15   3.648   4.473  -3.379
  120   2HG1  VAL  15          2HG2      VAL  15   2.387   5.493  -4.112
  121   3HG1  VAL  15          3HG2      VAL  15   2.124   3.765  -3.959
  122   1HG2  VAL  15          1HG1      VAL  15   5.335   5.507  -5.003
  123   2HG2  VAL  15          2HG1      VAL  15   5.018   5.502  -6.753
  124   3HG2  VAL  15          3HG1      VAL  15   4.040   6.518  -5.663
  125    H    GLY  16           H        GLY  16   4.413   1.619  -3.524
  126   1HA   GLY  16          1HA       GLY  16   6.649   0.780  -2.632
  127   2HA   GLY  16          2HA       GLY  16   7.487   2.034  -3.526
  128    H    SER  17           H        SER  17   4.979   1.616  -1.197
  129    HA   SER  17           HA       SER  17   4.123   2.982   0.673
  130   1HB   SER  17          1HB       SER  17   7.191   3.191   1.074
  131   2HB   SER  17          2HB       SER  17   5.998   3.430   2.341
  132    HG   SER  17           HG       SER  17   5.402   1.256   2.219
  133    H    ASN  18           H        ASN  18   3.869   4.804  -1.474
  134    HA   ASN  18           HA       ASN  18   3.710   7.317  -0.018
  135   1HB   ASN  18          1HB       ASN  18   6.266   7.295  -0.529
  136   2HB   ASN  18          2HB       ASN  18   5.878   7.332  -2.239
  137   1HD2  ASN  18          2HD2      ASN  18   7.303   9.301  -1.837
  138   2HD2  ASN  18          1HD2      ASN  18   6.403  10.856  -1.430
  139    H    LYS  19           H        LYS  19   1.625   6.592  -0.944
  140    HA   LYS  19           HA       LYS  19   1.043   7.136  -3.914
  141   1HB   LYS  19          1HB       LYS  19   0.080   5.199  -2.362
  142   2HB   LYS  19          2HB       LYS  19  -0.821   6.415  -1.548
  143   1HG   LYS  19          1HG       LYS  19  -2.428   5.641  -2.954
  144   2HG   LYS  19          2HG       LYS  19  -1.896   6.948  -3.966
  145   1HD   LYS  19          1HD       LYS  19  -0.481   4.232  -4.340
  146   2HD   LYS  19          2HD       LYS  19  -2.196   4.235  -4.660
  147   1HE   LYS  19          2HE       LYS  19  -1.939   6.109  -6.340
  148   2HE   LYS  19          1HE       LYS  19  -0.189   6.142  -6.052
  149   1HZ   LYS  19          1HZ       LYS  19  -1.549   3.515  -6.813
  150   2HZ   LYS  19          2HZ       LYS  19  -1.002   4.557  -7.991
  151   3HZ   LYS  19          3HZ       LYS  19   0.003   3.837  -6.880
  152    H    GLY  20           H        GLY  20   2.081   9.403  -3.076
  153   1HA   GLY  20          1HA       GLY  20   1.692  11.832  -2.675
  154   2HA   GLY  20          2HA       GLY  20  -0.012  11.561  -3.119
  155    H    ALA  21           H        ALA  21   2.177  10.307  -0.606
  156    HA   ALA  21           HA       ALA  21   0.160  10.927   1.656
  157   1HB   ALA  21          1HB       ALA  21  -0.222   8.674   0.486
  158   2HB   ALA  21          2HB       ALA  21   1.438   8.195   0.864
  159   3HB   ALA  21          3HB       ALA  21   0.273   8.471   2.170
  160    H    ILE  22           H        ILE  22   3.483   9.654   1.128
  161    HA   ILE  22           HA       ILE  22   5.327   9.423   2.634
  162    HB   ILE  22           HB       ILE  22   4.125  11.596   4.439
  163   1HG1  ILE  22          1HG1      ILE  22   3.969  12.728   2.330
  164   2HG1  ILE  22          2HG1      ILE  22   5.286  13.413   3.237
  165   1HG2  ILE  22          1HG2      ILE  22   7.075  10.896   3.829
  166   2HG2  ILE  22          2HG2      ILE  22   6.527  12.202   4.903
  167   3HG2  ILE  22          3HG2      ILE  22   6.203  10.524   5.328
  168   1HD1  ILE  22          1HD1      ILE  22   5.890  13.208   0.823
  169   2HD1  ILE  22          2HD1      ILE  22   6.958  12.133   1.759
  170   3HD1  ILE  22          3HD1      ILE  22   5.582  11.461   0.849
  171    H    ILE  23           H        ILE  23   2.769   7.929   2.933
  172    HA   ILE  23           HA       ILE  23   1.830   6.217   4.160
  173    HB   ILE  23           HB       ILE  23   4.047   6.568   6.298
  174   1HG1  ILE  23          1HG1      ILE  23   4.182   4.645   3.881
  175   2HG1  ILE  23          2HG1      ILE  23   5.050   6.147   3.980
  176   1HG2  ILE  23          1HG2      ILE  23   3.534   4.174   6.900
  177   2HG2  ILE  23          2HG2      ILE  23   2.085   5.158   7.044
  178   3HG2  ILE  23          3HG2      ILE  23   2.289   4.097   5.633
  179   1HD1  ILE  23          1HD1      ILE  23   6.304   5.369   6.038
  180   2HD1  ILE  23          2HD1      ILE  23   5.538   3.767   5.870
  181   3HD1  ILE  23          3HD1      ILE  23   6.605   4.380   4.590
  182    H    GLY  24           H        GLY  24   0.057   7.581   4.395
  183   1HA   GLY  24          1HA       GLY  24  -1.306   7.839   6.806
  184   2HA   GLY  24          2HA       GLY  24  -0.283   9.259   6.923
  185    H    LEU  25           H        LEU  25  -0.335  10.450   4.537
  186    HA   LEU  25           HA       LEU  25  -3.225  11.393   4.303
  187   1HB   LEU  25          1HB       LEU  25  -0.523  12.451   3.211
  188   2HB   LEU  25          2HB       LEU  25  -2.036  13.240   2.875
  189    HG   LEU  25           HG       LEU  25  -0.975  12.860   5.737
  190   1HD1  LEU  25          1HD1      LEU  25   0.584  14.286   4.395
  191   2HD1  LEU  25          2HD1      LEU  25  -0.767  15.331   3.887
  192   3HD1  LEU  25          3HD1      LEU  25  -0.279  15.258   5.599
  193   1HD2  LEU  25          1HD2      LEU  25  -3.233  14.681   4.636
  194   2HD2  LEU  25          2HD2      LEU  25  -3.463  13.245   5.663
  195   3HD2  LEU  25          3HD2      LEU  25  -2.635  14.667   6.310
  196    H    MET  26           H        MET  26  -3.773  12.179   1.923
  197    HA   MET  26           HA       MET  26  -3.013  10.157  -0.214
  198   1HB   MET  26          1HB       MET  26  -4.992   9.219   1.287
  199   2HB   MET  26          2HB       MET  26  -5.977  10.489   0.604
  200   1HG   MET  26          1HG       MET  26  -6.475   8.961  -1.042
  201   2HG   MET  26          2HG       MET  26  -4.886   9.245  -1.740
  202   1HE   MET  26          1HE       MET  26  -2.726   7.696   0.324
  203   2HE   MET  26          2HE       MET  26  -2.837   7.739  -1.458
  204   3HE   MET  26          3HE       MET  26  -2.793   6.177  -0.614
  205    HXT  MET  26           HO        OH  27  -2.089  12.025  -0.945
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1   0.046 -13.798  -1.375
    2   2H    TYR   1          2H        TYR   1  -1.546 -13.676  -1.738
    3    HA   TYR   1           HA       TYR   1   0.158 -11.397  -0.911
    4   1HB   TYR   1          2HB       TYR   1   0.739 -12.564  -3.137
    5   2HB   TYR   1          1HB       TYR   1  -0.878 -12.252  -3.708
    6    HD1  TYR   1           HD1      TYR   1  -0.881 -10.490  -5.311
    7    HD2  TYR   1           HD2      TYR   1   1.876 -10.170  -2.016
    8    HE1  TYR   1           HE1      TYR   1   0.052  -8.417  -6.265
    9    HE2  TYR   1           HE2      TYR   1   2.775  -8.103  -2.982
   10    HH   TYR   1           HH       TYR   1   2.780  -6.652  -4.728
   11    H    GLU   2           H        GLU   2  -0.968  -9.677  -0.260
   12    HA   GLU   2           HA       GLU   2  -3.998  -9.616  -0.517
   13   1HB   GLU   2          2HB       GLU   2  -3.952  -8.362   1.496
   14   2HB   GLU   2          1HB       GLU   2  -2.859  -9.688   1.755
   15   1HG   GLU   2          2HG       GLU   2  -2.061  -6.747   1.219
   16   2HG   GLU   2          1HG       GLU   2  -2.057  -7.552   2.772
   17    H    VAL   3           H        VAL   3  -1.233  -7.444  -1.062
   18    HA   VAL   3           HA       VAL   3  -3.005  -5.178  -2.014
   19    HB   VAL   3           HB       VAL   3  -0.887  -4.018  -2.642
   20   1HG1  VAL   3          1HG2      VAL   3  -1.881  -3.784  -0.328
   21   2HG1  VAL   3          2HG2      VAL   3  -0.780  -5.057   0.251
   22   3HG1  VAL   3          3HG2      VAL   3  -0.127  -3.525  -0.365
   23   1HG2  VAL   3          1HG1      VAL   3   0.694  -6.419  -1.507
   24   2HG2  VAL   3          2HG1      VAL   3   0.742  -5.816  -3.176
   25   3HG2  VAL   3          3HG1      VAL   3   1.365  -4.817  -1.865
   26    H    HIS   4           H        HIS   4  -4.223  -6.119  -3.625
   27    HA   HIS   4           HA       HIS   4  -2.956  -7.162  -6.187
   28   1HB   HIS   4          2HB       HIS   4  -5.887  -6.812  -5.273
   29   2HB   HIS   4          1HB       HIS   4  -5.442  -7.328  -6.871
   30    HD1  HIS   4           HD1      HIS   4  -6.390  -9.752  -6.795
   31    HD2  HIS   4           HD2      HIS   4  -3.644  -8.824  -3.621
   32    HE1  HIS   4           HE1      HIS   4  -5.820 -11.893  -5.445
   33    HE2  HIS   4           HE2      HIS   4  -4.147 -11.381  -3.482
   34    H    HIS   5           H        HIS   5  -1.825  -5.295  -6.366
   35    HA   HIS   5           HA       HIS   5  -1.562  -2.904  -6.699
   36   1HB   HIS   5          1HB       HIS   5  -1.501  -4.791  -9.160
   37   2HB   HIS   5          2HB       HIS   5  -0.988  -3.148  -9.398
   38    HD1  HIS   5           HD1      HIS   5   0.754  -6.201  -8.825
   39    HD2  HIS   5           HD2      HIS   5   0.765  -2.308  -6.989
   40    HE1  HIS   5           HE1      HIS   5   2.981  -5.817  -7.532
   41    HE2  HIS   5           HE2      HIS   5   3.108  -3.499  -6.470
   42    H    GLN   6           H        GLN   6  -1.979  -1.075  -7.128
   43    HA   GLN   6           HA       GLN   6  -2.910   0.996  -7.705
   44   1HB   GLN   6          1HB       GLN   6  -3.957  -0.450 -10.234
   45   2HB   GLN   6          2HB       GLN   6  -4.040   1.272  -9.944
   46   1HG   GLN   6          1HG       GLN   6  -1.526  -0.386 -10.466
   47   2HG   GLN   6          2HG       GLN   6  -2.158   0.952 -11.388
   48   1HE2  GLN   6          1HE2      GLN   6  -0.547   0.113  -8.419
   49   2HE2  GLN   6          2HE2      GLN   6   0.336   1.722  -8.241
   50    H    LYS   7           H        LYS   7  -3.902   0.413  -5.817
   51    HA   LYS   7           HA       LYS   7  -6.998   0.569  -5.977
   52   1HB   LYS   7          1HB       LYS   7  -5.312  -0.729  -3.738
   53   2HB   LYS   7          2HB       LYS   7  -7.052  -0.680  -3.793
   54   1HG   LYS   7          1HG       LYS   7  -5.271  -2.303  -5.744
   55   2HG   LYS   7          2HG       LYS   7  -5.928  -2.897  -4.249
   56   1HD   LYS   7          2HD       LYS   7  -7.453  -3.766  -5.769
   57   2HD   LYS   7          1HD       LYS   7  -8.301  -2.395  -5.105
   58   1HE   LYS   7          2HE       LYS   7  -8.762  -2.344  -7.436
   59   2HE   LYS   7          1HE       LYS   7  -7.657  -1.024  -7.207
   60   1HZ   LYS   7          1HZ       LYS   7  -7.029  -2.531  -9.158
   61   2HZ   LYS   7          2HZ       LYS   7  -5.810  -2.458  -8.085
   62   3HZ   LYS   7          3HZ       LYS   7  -6.736  -3.775  -8.100
   63    H    LEU   8           H        LEU   8  -4.300   1.314  -3.831
   64    HA   LEU   8           HA       LEU   8  -4.977   4.153  -3.401
   65   1HB   LEU   8          2HB       LEU   8  -5.933   4.254  -1.239
   66   2HB   LEU   8          1HB       LEU   8  -6.944   3.139  -2.094
   67    HG   LEU   8           HG       LEU   8  -4.857   2.363   0.054
   68   1HD1  LEU   8          1HD1      LEU   8  -6.735   1.981   1.548
   69   2HD1  LEU   8          2HD1      LEU   8  -6.711   3.667   0.991
   70   3HD1  LEU   8          3HD1      LEU   8  -7.894   2.516   0.298
   71   1HD2  LEU   8          1HD2      LEU   8  -5.956   0.124   0.127
   72   2HD2  LEU   8          2HD2      LEU   8  -7.040   0.575  -1.213
   73   3HD2  LEU   8          3HD2      LEU   8  -5.292   0.394  -1.488
   74    H    VAL   9           H        VAL   9  -3.663   1.420  -1.780
   75    HA   VAL   9           HA       VAL   9  -1.958   1.715   0.115
   76    HB   VAL   9           HB       VAL   9  -0.835   0.503  -2.454
   77   1HG1  VAL   9          1HG2      VAL   9   0.828   0.620  -0.589
   78   2HG1  VAL   9          2HG2      VAL   9  -0.321  -0.124   0.538
   79   3HG1  VAL   9          3HG2      VAL   9   0.312  -1.055  -0.843
   80   1HG2  VAL   9          1HG1      VAL   9  -2.614  -0.949  -0.396
   81   2HG2  VAL   9          2HG1      VAL   9  -3.043  -0.577  -2.098
   82   3HG2  VAL   9          3HG1      VAL   9  -1.732  -1.692  -1.760
   83    H    PHE  10           H        PHE  10  -1.220   3.285   0.691
   84    HA   PHE  10           HA       PHE  10   0.983   5.097  -0.321
   85   1HB   PHE  10          2HB       PHE  10   0.168   6.419   1.789
   86   2HB   PHE  10          1HB       PHE  10  -0.985   6.274   0.503
   87    HD1  PHE  10           HD1      PHE  10  -0.172   5.210   3.974
   88    HD2  PHE  10           HD2      PHE  10  -3.090   4.914   0.838
   89    HE1  PHE  10           HE1      PHE  10  -1.495   3.702   5.316
   90    HE2  PHE  10           HE2      PHE  10  -4.505   3.529   2.292
   91    HZ   PHE  10           HZ       PHE  10  -3.779   2.968   4.562
   92    H    PHE  11           H        PHE  11   0.689   2.363   1.490
   93    HA   PHE  11           HA       PHE  11   3.105   2.816   3.331
   94   1HB   PHE  11          2HB       PHE  11   2.010   1.263   4.874
   95   2HB   PHE  11          1HB       PHE  11   0.889   2.521   4.494
   96    HD1  PHE  11           HD1      PHE  11   1.438  -1.106   4.422
   97    HD2  PHE  11           HD2      PHE  11  -1.073   1.987   2.838
   98    HE1  PHE  11           HE1      PHE  11  -0.306  -2.771   3.895
   99    HE2  PHE  11           HE2      PHE  11  -2.824   0.342   2.367
  100    HZ   PHE  11           HZ       PHE  11  -2.453  -2.034   2.870
  101    H    ALA  12           H        ALA  12   2.165   0.928   0.596
  102    HA   ALA  12           HA       ALA  12   4.518  -0.985   1.090
  103   1HB   ALA  12          1HB       ALA  12   1.560  -1.752   0.661
  104   2HB   ALA  12          2HB       ALA  12   2.907  -2.896   0.647
  105   3HB   ALA  12          3HB       ALA  12   2.512  -1.965   2.133
  106    H    GLU  13           H        GLU  13   2.077  -1.613  -1.435
  107    HA   GLU  13           HA       GLU  13   4.391  -1.188  -3.418
  108   1HB   GLU  13          1HB       GLU  13   3.440  -3.679  -2.381
  109   2HB   GLU  13          2HB       GLU  13   2.441  -3.505  -3.803
  110   1HG   GLU  13          2HG       GLU  13   4.889  -3.004  -4.968
  111   2HG   GLU  13          1HG       GLU  13   5.498  -3.735  -3.503
  112    H    ASP  14           H        ASP  14   1.488   0.072  -3.282
  113    HA   ASP  14           HA       ASP  14   0.951  -0.071  -6.316
  114   1HB   ASP  14          2HB       ASP  14  -0.350   1.728  -4.150
  115   2HB   ASP  14          1HB       ASP  14  -0.714   1.887  -5.838
  116    H    VAL  15           H        VAL  15   3.274   1.161  -4.805
  117    HA   VAL  15           HA       VAL  15   4.570   2.862  -6.725
  118    HB   VAL  15           HB       VAL  15   2.859   4.574  -6.228
  119   1HG1  VAL  15          1HG2      VAL  15   2.461   5.600  -4.032
  120   2HG1  VAL  15          2HG2      VAL  15   2.129   3.876  -3.896
  121   3HG1  VAL  15          3HG2      VAL  15   3.650   4.532  -3.247
  122   1HG2  VAL  15          1HG1      VAL  15   4.118   6.565  -5.590
  123   2HG2  VAL  15          2HG1      VAL  15   5.390   5.595  -4.831
  124   3HG2  VAL  15          3HG1      VAL  15   5.159   5.522  -6.593
  125    H    GLY  16           H        GLY  16   4.511   1.533  -3.383
  126   1HA   GLY  16          1HA       GLY  16   6.691   0.770  -2.384
  127   2HA   GLY  16          2HA       GLY  16   7.554   2.023  -3.249
  128    H    SER  17           H        SER  17   4.784   1.832  -1.106
  129    HA   SER  17           HA       SER  17   3.996   3.203   0.740
  130   1HB   SER  17          2HB       SER  17   5.666   3.481   2.532
  131   2HB   SER  17          1HB       SER  17   5.901   1.917   1.757
  132    HG   SER  17           HG       SER  17   7.417   3.511   0.368
  133    H    ASN  18           H        ASN  18   3.803   4.980  -1.350
  134    HA   ASN  18           HA       ASN  18   3.818   7.541  -0.001
  135   1HB   ASN  18          1HB       ASN  18   6.366   7.410  -0.478
  136   2HB   ASN  18          2HB       ASN  18   6.007   7.332  -2.193
  137   1HD2  ASN  18          2HD2      ASN  18   7.370   9.284  -2.202
  138   2HD2  ASN  18          1HD2      ASN  18   6.577  10.892  -1.776
  139    H    LYS  19           H        LYS  19   1.701   6.795  -0.961
  140    HA   LYS  19           HA       LYS  19   1.277   7.531  -3.939
  141   1HB   LYS  19          2HB       LYS  19   0.236   5.402  -2.753
  142   2HB   LYS  19          1HB       LYS  19  -0.730   6.484  -1.840
  143   1HG   LYS  19          1HG       LYS  19  -2.280   6.278  -3.473
  144   2HG   LYS  19          2HG       LYS  19  -1.405   7.436  -4.396
  145   1HD   LYS  19          1HD       LYS  19  -0.825   4.385  -4.594
  146   2HD   LYS  19          2HD       LYS  19  -2.160   5.129  -5.447
  147   1HE   LYS  19          1HE       LYS  19  -0.568   6.721  -6.642
  148   2HE   LYS  19          2HE       LYS  19   0.803   5.956  -5.836
  149   1HZ   LYS  19          1HZ       LYS  19  -1.131   4.280  -7.436
  150   2HZ   LYS  19          2HZ       LYS  19   0.143   4.998  -8.173
  151   3HZ   LYS  19          3HZ       LYS  19   0.405   3.883  -7.002
  152    H    GLY  20           H        GLY  20   2.157   9.691  -2.873
  153   1HA   GLY  20          2HA       GLY  20   1.688  12.088  -2.381
  154   2HA   GLY  20          1HA       GLY  20  -0.011  11.780  -2.809
  155    H    ALA  21           H        ALA  21   2.296  10.566  -0.374
  156    HA   ALA  21           HA       ALA  21   0.380  11.138   1.970
  157   1HB   ALA  21          1HB       ALA  21   0.367   8.639   2.446
  158   2HB   ALA  21          2HB       ALA  21  -0.247   8.934   0.810
  159   3HB   ALA  21          3HB       ALA  21   1.402   8.344   1.037
  160    H    ILE  22           H        ILE  22   3.578   9.636   1.257
  161    HA   ILE  22           HA       ILE  22   5.467   9.253   2.698
  162    HB   ILE  22           HB       ILE  22   4.467  11.646   4.362
  163   1HG1  ILE  22          1HG1      ILE  22   4.551  12.512   2.088
  164   2HG1  ILE  22          2HG1      ILE  22   5.819  13.215   3.049
  165   1HG2  ILE  22          1HG2      ILE  22   6.352  10.526   5.503
  166   2HG2  ILE  22          2HG2      ILE  22   7.327  10.531   4.020
  167   3HG2  ILE  22          3HG2      ILE  22   6.927  12.053   4.850
  168   1HD1  ILE  22          1HD1      ILE  22   6.574  12.640   0.699
  169   2HD1  ILE  22          2HD1      ILE  22   7.551  11.769   1.906
  170   3HD1  ILE  22          3HD1      ILE  22   6.272  10.920   1.015
  171    H    ILE  23           H        ILE  23   2.890   7.927   3.103
  172    HA   ILE  23           HA       ILE  23   1.886   6.310   4.385
  173    HB   ILE  23           HB       ILE  23   4.148   6.640   6.486
  174   1HG1  ILE  23          2HG1      ILE  23   4.112   4.503   4.261
  175   2HG1  ILE  23          1HG1      ILE  23   4.992   5.994   4.096
  176   1HG2  ILE  23          1HG2      ILE  23   2.243   4.235   5.999
  177   2HG2  ILE  23          2HG2      ILE  23   3.536   4.302   7.219
  178   3HG2  ILE  23          3HG2      ILE  23   2.146   5.374   7.363
  179   1HD1  ILE  23          1HD1      ILE  23   5.588   3.900   6.277
  180   2HD1  ILE  23          2HD1      ILE  23   6.562   4.274   4.839
  181   3HD1  ILE  23          3HD1      ILE  23   6.392   5.484   6.130
  182    H    GLY  24           H        GLY  24   0.120   7.622   4.647
  183   1HA   GLY  24          1HA       GLY  24  -0.793   8.213   7.354
  184   2HA   GLY  24          2HA       GLY  24  -0.179   9.724   6.708
  185    H    LEU  25           H        LEU  25  -1.208  10.535   4.714
  186    HA   LEU  25           HA       LEU  25  -4.046   9.503   4.178
  187   1HB   LEU  25          1HB       LEU  25  -4.997  11.759   4.498
  188   2HB   LEU  25          2HB       LEU  25  -4.245  11.159   5.939
  189    HG   LEU  25           HG       LEU  25  -2.204  12.714   5.405
  190   1HD1  LEU  25          1HD1      LEU  25  -4.261  13.977   3.455
  191   2HD1  LEU  25          2HD1      LEU  25  -2.782  14.780   4.033
  192   3HD1  LEU  25          3HD1      LEU  25  -2.657  13.340   3.027
  193   1HD2  LEU  25          1HD2      LEU  25  -3.878  13.168   7.211
  194   2HD2  LEU  25          2HD2      LEU  25  -3.365  14.675   6.435
  195   3HD2  LEU  25          3HD2      LEU  25  -4.953  13.976   6.044
  196    H    MET  26           H        MET  26  -5.082  10.481   2.299
  197    HA   MET  26           HA       MET  26  -3.222  10.521  -0.074
  198   1HB   MET  26          1HB       MET  26  -6.294  10.785   0.176
  199   2HB   MET  26          2HB       MET  26  -5.443  10.766  -1.348
  200   1HG   MET  26          1HG       MET  26  -5.349   8.385   0.620
  201   2HG   MET  26          2HG       MET  26  -6.487   8.554  -0.711
  202   1HE   MET  26          1HE       MET  26  -2.136   8.092  -0.459
  203   2HE   MET  26          2HE       MET  26  -2.719   6.481  -0.933
  204   3HE   MET  26          3HE       MET  26  -3.377   7.264   0.519
  205    HXT  MET  26           HO        OH  27  -2.060  12.312  -0.005
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1   3.033 -12.552   1.222
    2   2H    TYR   1          2H        TYR   1   1.803 -11.845   2.033
    3    HA   TYR   1           HA       TYR   1   2.603  -9.615   1.420
    4   1HB   TYR   1          1HB       TYR   1   5.026 -10.559   1.282
    5   2HB   TYR   1          2HB       TYR   1   4.627 -11.250  -0.265
    6    HD1  TYR   1           HD1      TYR   1   4.264  -9.702  -2.264
    7    HD2  TYR   1           HD2      TYR   1   5.310  -8.120   1.597
    8    HE1  TYR   1           HE1      TYR   1   4.956  -7.578  -3.309
    9    HE2  TYR   1           HE2      TYR   1   6.002  -6.007   0.530
   10    HH   TYR   1           HH       TYR   1   5.918  -5.530  -3.023
   11    H    GLU   2           H        GLU   2   0.514  -9.603   0.661
   12    HA   GLU   2           HA       GLU   2   0.031 -10.525  -2.236
   13   1HB   GLU   2          2HB       GLU   2  -0.868 -12.066  -0.238
   14   2HB   GLU   2          1HB       GLU   2  -2.090 -10.841  -0.010
   15   1HG   GLU   2          1HG       GLU   2  -1.582 -12.293  -2.719
   16   2HG   GLU   2          2HG       GLU   2  -2.606 -12.957  -1.461
   17    H    VAL   3           H        VAL   3   0.646  -8.305  -2.593
   18    HA   VAL   3           HA       VAL   3  -1.206  -6.094  -1.662
   19    HB   VAL   3           HB       VAL   3   1.084  -5.808  -3.725
   20   1HG1  VAL   3          1HG2      VAL   3  -0.532  -3.874  -3.700
   21   2HG1  VAL   3          2HG2      VAL   3  -0.292  -3.696  -1.943
   22   3HG1  VAL   3          3HG2      VAL   3   1.042  -3.394  -3.076
   23   1HG2  VAL   3          1HG1      VAL   3   1.228  -5.356  -0.650
   24   2HG2  VAL   3          2HG1      VAL   3   2.107  -6.609  -1.549
   25   3HG2  VAL   3          3HG1      VAL   3   2.499  -4.911  -1.816
   26    H    HIS   4           H        HIS   4  -3.096  -5.904  -2.627
   27    HA   HIS   4           HA       HIS   4  -3.854  -7.093  -5.244
   28   1HB   HIS   4          1HB       HIS   4  -5.271  -5.086  -3.327
   29   2HB   HIS   4          2HB       HIS   4  -5.994  -5.610  -4.825
   30    HD1  HIS   4           HD1      HIS   4  -8.032  -6.718  -3.422
   31    HD2  HIS   4           HD2      HIS   4  -4.130  -8.419  -2.841
   32    HE1  HIS   4           HE1      HIS   4  -8.215  -9.074  -2.319
   33    HE2  HIS   4           HE2      HIS   4  -5.771 -10.164  -2.021
   34    H    HIS   5           H        HIS   5  -2.444  -3.946  -4.657
   35    HA   HIS   5           HA       HIS   5  -1.894  -2.161  -6.049
   36   1HB   HIS   5          2HB       HIS   5  -2.093  -4.542  -8.091
   37   2HB   HIS   5          1HB       HIS   5  -1.552  -2.976  -8.605
   38    HD1  HIS   5           HD1      HIS   5   0.108  -6.072  -7.428
   39    HD2  HIS   5           HD2      HIS   5   0.325  -1.881  -6.813
   40    HE1  HIS   5           HE1      HIS   5   2.530  -5.450  -6.627
   41    HE2  HIS   5           HE2      HIS   5   2.799  -2.933  -6.220
   42    H    GLN   6           H        GLN   6  -2.256  -0.815  -7.817
   43    HA   GLN   6           HA       GLN   6  -3.484   0.974  -8.535
   44   1HB   GLN   6          1HB       GLN   6  -4.860   0.301 -10.570
   45   2HB   GLN   6          2HB       GLN   6  -3.274  -0.385 -10.474
   46   1HG   GLN   6          2HG       GLN   6  -4.552  -2.094 -11.392
   47   2HG   GLN   6          1HG       GLN   6  -4.285  -2.646  -9.775
   48   1HE2  GLN   6          1HE2      GLN   6  -6.123  -2.335  -8.257
   49   2HE2  GLN   6          2HE2      GLN   6  -7.836  -2.381  -8.963
   50    H    LYS   7           H        LYS   7  -4.485   0.563  -6.120
   51    HA   LYS   7           HA       LYS   7  -7.305   1.742  -6.427
   52   1HB   LYS   7          1HB       LYS   7  -7.492  -0.734  -5.949
   53   2HB   LYS   7          2HB       LYS   7  -6.600  -0.535  -4.448
   54   1HG   LYS   7          1HG       LYS   7  -8.412   0.989  -3.556
   55   2HG   LYS   7          2HG       LYS   7  -9.271   0.896  -5.091
   56   1HD   LYS   7          1HD       LYS   7  -9.646  -1.586  -4.768
   57   2HD   LYS   7          2HD       LYS   7  -8.650  -1.561  -3.326
   58   1HE   LYS   7          2HE       LYS   7 -10.917  -1.597  -2.536
   59   2HE   LYS   7          1HE       LYS   7 -10.281  -0.001  -2.161
   60   1HZ   LYS   7          1HZ       LYS   7 -12.016  -0.626  -4.569
   61   2HZ   LYS   7          2HZ       LYS   7 -12.545   0.151  -3.217
   62   3HZ   LYS   7          3HZ       LYS   7 -11.443   0.864  -4.206
   63    H    LEU   8           H        LEU   8  -5.066   1.092  -3.718
   64    HA   LEU   8           HA       LEU   8  -5.161   4.084  -3.016
   65   1HB   LEU   8          2HB       LEU   8  -6.135   3.848  -0.916
   66   2HB   LEU   8          1HB       LEU   8  -7.146   2.837  -1.893
   67    HG   LEU   8           HG       LEU   8  -4.985   1.846   0.097
   68   1HD1  LEU   8          1HD1      LEU   8  -6.804   1.217   1.557
   69   2HD1  LEU   8          2HD1      LEU   8  -6.856   2.960   1.205
   70   3HD1  LEU   8          3HD1      LEU   8  -8.014   1.855   0.400
   71   1HD2  LEU   8          1HD2      LEU   8  -5.980  -0.414  -0.073
   72   2HD2  LEU   8          2HD2      LEU   8  -7.134   0.135  -1.317
   73   3HD2  LEU   8          3HD2      LEU   8  -5.388   0.067  -1.665
   74    H    VAL   9           H        VAL   9  -3.756   1.058  -1.894
   75    HA   VAL   9           HA       VAL   9  -2.046   1.373   0.050
   76    HB   VAL   9           HB       VAL   9  -0.835   0.291  -2.518
   77   1HG1  VAL   9          1HG2      VAL   9  -0.429  -0.540   0.438
   78   2HG1  VAL   9          2HG2      VAL   9   0.379  -1.219  -1.004
   79   3HG1  VAL   9          3HG2      VAL   9   0.725   0.438  -0.492
   80   1HG2  VAL   9          1HG1      VAL   9  -2.608  -1.322  -0.595
   81   2HG2  VAL   9          2HG1      VAL   9  -3.008  -0.897  -2.292
   82   3HG2  VAL   9          3HG1      VAL   9  -1.655  -1.965  -1.953
   83    H    PHE  10           H        PHE  10  -1.240   2.865   0.662
   84    HA   PHE  10           HA       PHE  10   0.808   4.832  -0.401
   85   1HB   PHE  10          1HB       PHE  10  -0.056   6.038   1.742
   86   2HB   PHE  10          2HB       PHE  10  -1.228   5.863   0.457
   87    HD1  PHE  10           HD1      PHE  10  -0.370   4.832   3.929
   88    HD2  PHE  10           HD2      PHE  10  -3.227   4.365   0.767
   89    HE1  PHE  10           HE1      PHE  10  -1.673   3.309   5.297
   90    HE2  PHE  10           HE2      PHE  10  -4.629   2.990   2.230
   91    HZ   PHE  10           HZ       PHE  10  -3.906   2.449   4.488
   92    H    PHE  11           H        PHE  11   0.949   1.997   1.105
   93    HA   PHE  11           HA       PHE  11   3.303   2.671   2.960
   94   1HB   PHE  11          2HB       PHE  11   2.413   1.068   4.598
   95   2HB   PHE  11          1HB       PHE  11   1.256   2.315   4.302
   96    HD1  PHE  11           HD1      PHE  11   1.779  -1.287   4.305
   97    HD2  PHE  11           HD2      PHE  11  -0.839   1.740   2.795
   98    HE1  PHE  11           HE1      PHE  11  -0.024  -2.954   4.084
   99    HE2  PHE  11           HE2      PHE  11  -2.637   0.084   2.569
  100    HZ   PHE  11           HZ       PHE  11  -2.239  -2.265   3.206
  101    H    ALA  12           H        ALA  12   1.740  -0.180   1.464
  102    HA   ALA  12           HA       ALA  12   4.278  -1.739   1.437
  103   1HB   ALA  12          1HB       ALA  12   1.440  -2.262   0.377
  104   2HB   ALA  12          2HB       ALA  12   2.730  -3.454   0.469
  105   3HB   ALA  12          3HB       ALA  12   2.073  -2.710   1.972
  106    H    GLU  13           H        GLU  13   2.183  -1.619  -1.468
  107    HA   GLU  13           HA       GLU  13   4.650  -0.801  -3.055
  108   1HB   GLU  13          2HB       GLU  13   4.505  -3.412  -2.313
  109   2HB   GLU  13          1HB       GLU  13   3.310  -3.500  -3.603
  110   1HG   GLU  13          2HG       GLU  13   5.464  -2.310  -4.971
  111   2HG   GLU  13          1HG       GLU  13   6.340  -3.014  -3.637
  112    H    ASP  14           H        ASP  14   1.617  -0.055  -3.173
  113    HA   ASP  14           HA       ASP  14   1.465  -0.126  -6.281
  114   1HB   ASP  14          1HB       ASP  14  -0.654  -0.397  -4.734
  115   2HB   ASP  14          2HB       ASP  14  -0.501   1.335  -4.405
  116    H    VAL  15           H        VAL  15   3.600   0.936  -5.112
  117    HA   VAL  15           HA       VAL  15   4.693   3.092  -6.360
  118    HB   VAL  15           HB       VAL  15   2.909   4.668  -5.673
  119   1HG1  VAL  15          1HG2      VAL  15   3.591   4.267  -2.682
  120   2HG1  VAL  15          2HG2      VAL  15   2.313   5.273  -3.413
  121   3HG1  VAL  15          3HG2      VAL  15   2.179   3.528  -3.456
  122   1HG2  VAL  15          1HG1      VAL  15   4.115   6.532  -4.707
  123   2HG2  VAL  15          2HG1      VAL  15   5.333   5.469  -3.981
  124   3HG2  VAL  15          3HG1      VAL  15   5.249   5.650  -5.747
  125    H    GLY  16           H        GLY  16   4.378   1.403  -3.158
  126   1HA   GLY  16          1HA       GLY  16   6.317   0.619  -1.831
  127   2HA   GLY  16          2HA       GLY  16   7.408   1.503  -2.877
  128    H    SER  17           H        SER  17   4.624   2.314  -0.930
  129    HA   SER  17           HA       SER  17   4.160   4.027   0.784
  130   1HB   SER  17          2HB       SER  17   7.205   3.742   1.227
  131   2HB   SER  17          1HB       SER  17   6.272   4.939   2.091
  132    HG   SER  17           HG       SER  17   5.530   2.178   2.082
  133    H    ASN  18           H        ASN  18   3.308   5.678  -0.492
  134    HA   ASN  18           HA       ASN  18   3.866   8.291  -0.463
  135   1HB   ASN  18          1HB       ASN  18   6.237   8.104  -1.302
  136   2HB   ASN  18          2HB       ASN  18   5.687   7.360  -2.783
  137   1HD2  ASN  18          2HD2      ASN  18   4.669  10.396  -1.031
  138   2HD2  ASN  18          1HD2      ASN  18   5.132  11.420  -2.489
  139    H    LYS  19           H        LYS  19   1.554   6.865  -0.984
  140    HA   LYS  19           HA       LYS  19   0.710   7.578  -3.890
  141   1HB   LYS  19          1HB       LYS  19   0.090   5.281  -2.795
  142   2HB   LYS  19          2HB       LYS  19  -0.905   6.133  -1.689
  143   1HG   LYS  19          1HG       LYS  19  -2.628   6.078  -3.145
  144   2HG   LYS  19          2HG       LYS  19  -1.836   7.145  -4.241
  145   1HD   LYS  19          1HD       LYS  19  -1.209   4.105  -4.267
  146   2HD   LYS  19          2HD       LYS  19  -2.703   4.688  -4.959
  147   1HE   LYS  19          1HE       LYS  19  -1.555   6.126  -6.609
  148   2HE   LYS  19          2HE       LYS  19   0.025   5.831  -5.863
  149   1HZ   LYS  19          1HZ       LYS  19  -1.465   3.341  -6.686
  150   2HZ   LYS  19          2HZ       LYS  19  -0.756   4.245  -7.898
  151   3HZ   LYS  19          3HZ       LYS  19   0.089   3.628  -6.610
  152    H    GLY  20           H        GLY  20   1.429   9.740  -2.865
  153   1HA   GLY  20          2HA       GLY  20   0.563  12.067  -2.306
  154   2HA   GLY  20          1HA       GLY  20  -0.975  11.366  -1.751
  155    H    ALA  21           H        ALA  21  -0.362   9.498  -0.180
  156    HA   ALA  21           HA       ALA  21   0.771  10.445   2.451
  157   1HB   ALA  21          1HB       ALA  21  -0.292   8.208   3.103
  158   2HB   ALA  21          2HB       ALA  21  -1.428   9.333   2.304
  159   3HB   ALA  21          3HB       ALA  21  -0.739   7.986   1.407
  160    H    ILE  22           H        ILE  22   2.869  10.130   2.843
  161    HA   ILE  22           HA       ILE  22   4.328   7.573   1.988
  162    HB   ILE  22           HB       ILE  22   6.229   8.694   3.421
  163   1HG1  ILE  22          1HG1      ILE  22   4.928  10.678   4.274
  164   2HG1  ILE  22          2HG1      ILE  22   6.523  10.972   3.635
  165   1HG2  ILE  22          1HG2      ILE  22   7.267   9.708   1.445
  166   2HG2  ILE  22          2HG2      ILE  22   6.506   8.149   1.082
  167   3HG2  ILE  22          3HG2      ILE  22   5.710   9.667   0.591
  168   1HD1  ILE  22          1HD1      ILE  22   4.949  12.790   2.947
  169   2HD1  ILE  22          2HD1      ILE  22   5.586  11.956   1.517
  170   3HD1  ILE  22          3HD1      ILE  22   3.929  11.646   2.060
  171    H    ILE  23           H        ILE  23   2.417   6.704   3.202
  172    HA   ILE  23           HA       ILE  23   1.522   5.448   4.925
  173    HB   ILE  23           HB       ILE  23   4.053   6.059   6.606
  174   1HG1  ILE  23          1HG1      ILE  23   3.605   3.387   5.145
  175   2HG1  ILE  23          2HG1      ILE  23   4.397   4.712   4.324
  176   1HG2  ILE  23          1HG2      ILE  23   2.173   5.241   8.045
  177   2HG2  ILE  23          2HG2      ILE  23   1.950   3.815   7.003
  178   3HG2  ILE  23          3HG2      ILE  23   3.437   4.016   7.960
  179   1HD1  ILE  23          1HD1      ILE  23   5.451   3.439   6.930
  180   2HD1  ILE  23          2HD1      ILE  23   6.113   3.246   5.291
  181   3HD1  ILE  23          3HD1      ILE  23   6.186   4.831   6.092
  182    H    GLY  24           H        GLY  24  -0.147   6.921   5.070
  183   1HA   GLY  24          1HA       GLY  24  -0.605   8.219   7.659
  184   2HA   GLY  24          2HA       GLY  24  -0.081   9.465   6.546
  185    H    LEU  25           H        LEU  25  -1.622  10.299   5.129
  186    HA   LEU  25           HA       LEU  25  -4.352   8.950   4.884
  187   1HB   LEU  25          1HB       LEU  25  -5.552  10.970   5.621
  188   2HB   LEU  25          2HB       LEU  25  -4.512  10.345   6.855
  189    HG   LEU  25           HG       LEU  25  -2.807  12.274   6.149
  190   1HD1  LEU  25          1HD1      LEU  25  -3.952  13.126   4.083
  191   2HD1  LEU  25          2HD1      LEU  25  -5.450  13.420   4.991
  192   3HD1  LEU  25          3HD1      LEU  25  -3.982  14.368   5.327
  193   1HD2  LEU  25          1HD2      LEU  25  -5.460  12.930   7.596
  194   2HD2  LEU  25          2HD2      LEU  25  -4.032  12.165   8.336
  195   3HD2  LEU  25          3HD2      LEU  25  -3.930  13.832   7.744
  196    H    MET  26           H        MET  26  -5.609   9.552   3.149
  197    HA   MET  26           HA       MET  26  -4.178  10.313   0.662
  198   1HB   MET  26          1HB       MET  26  -7.158   9.793   1.358
  199   2HB   MET  26          2HB       MET  26  -6.634  10.195  -0.258
  200   1HG   MET  26          1HG       MET  26  -5.577   7.721   1.246
  201   2HG   MET  26          2HG       MET  26  -6.882   7.721   0.055
  202   1HE   MET  26          1HE       MET  26  -2.950   7.627   0.488
  203   2HE   MET  26          2HE       MET  26  -2.783   6.846  -1.100
  204   3HE   MET  26          3HE       MET  26  -3.948   6.200   0.062
  205    HXT  MET  26           HO        OH  27  -3.562  12.212   1.938
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1   1.917 -10.784   2.632
    2   2H    TYR   1          2H        TYR   1   2.841  -9.453   2.452
    3    HA   TYR   1           HA       TYR   1  -0.091  -9.457   2.874
    4   1HB   TYR   1          1HB       TYR   1   1.077  -7.518   3.947
    5   2HB   TYR   1          2HB       TYR   1   1.984  -7.194   2.490
    6    HD1  TYR   1           HD1      TYR   1  -1.725  -7.648   3.367
    7    HD2  TYR   1           HD2      TYR   1   1.247  -5.224   1.419
    8    HE1  TYR   1           HE1      TYR   1  -3.479  -6.125   2.573
    9    HE2  TYR   1           HE2      TYR   1  -0.522  -3.688   0.659
   10    HH   TYR   1           HH       TYR   1  -3.938  -4.285   1.400
   11    H    GLU   2           H        GLU   2  -1.271  -9.608   1.093
   12    HA   GLU   2           HA       GLU   2  -0.153 -10.412  -1.510
   13   1HB   GLU   2          1HB       GLU   2  -3.004  -9.524  -0.714
   14   2HB   GLU   2          2HB       GLU   2  -2.590 -10.300  -2.233
   15   1HG   GLU   2          1HG       GLU   2  -1.961 -12.424  -1.019
   16   2HG   GLU   2          2HG       GLU   2  -2.394 -11.682   0.521
   17    H    VAL   3           H        VAL   3  -1.399  -7.290  -0.449
   18    HA   VAL   3           HA       VAL   3  -1.390  -5.097  -1.415
   19    HB   VAL   3           HB       VAL   3   0.409  -6.195  -3.686
   20   1HG1  VAL   3          1HG2      VAL   3   0.143  -3.304  -2.610
   21   2HG1  VAL   3          2HG2      VAL   3   1.210  -3.849  -3.923
   22   3HG1  VAL   3          3HG2      VAL   3  -0.536  -3.884  -4.142
   23   1HG2  VAL   3          1HG1      VAL   3   1.403  -4.882  -1.059
   24   2HG2  VAL   3          2HG1      VAL   3   1.521  -6.619  -1.417
   25   3HG2  VAL   3          3HG1      VAL   3   2.399  -5.468  -2.416
   26    H    HIS   4           H        HIS   4  -1.827  -7.541  -4.009
   27    HA   HIS   4           HA       HIS   4  -3.523  -7.796  -5.715
   28   1HB   HIS   4          2HB       HIS   4  -5.126  -5.815  -3.914
   29   2HB   HIS   4          1HB       HIS   4  -5.764  -6.495  -5.381
   30    HD1  HIS   4           HD1      HIS   4  -6.865  -8.891  -5.249
   31    HD2  HIS   4           HD2      HIS   4  -4.403  -7.794  -1.909
   32    HE1  HIS   4           HE1      HIS   4  -6.944 -10.753  -3.426
   33    HE2  HIS   4           HE2      HIS   4  -5.439 -10.236  -1.404
   34    H    HIS   5           H        HIS   5  -2.604  -4.474  -5.069
   35    HA   HIS   5           HA       HIS   5  -1.936  -2.726  -6.406
   36   1HB   HIS   5          2HB       HIS   5  -1.876  -4.973  -8.594
   37   2HB   HIS   5          1HB       HIS   5  -1.432  -3.343  -8.980
   38    HD1  HIS   5           HD1      HIS   5   0.456  -6.329  -8.142
   39    HD2  HIS   5           HD2      HIS   5   0.300  -2.279  -6.831
   40    HE1  HIS   5           HE1      HIS   5   2.789  -5.626  -7.141
   41    HE2  HIS   5           HE2      HIS   5   2.846  -3.194  -6.429
   42    H    GLN   6           H        GLN   6  -2.360  -1.160  -7.648
   43    HA   GLN   6           HA       GLN   6  -3.507   0.565  -8.534
   44   1HB   GLN   6          2HB       GLN   6  -5.063  -1.647 -10.048
   45   2HB   GLN   6          1HB       GLN   6  -5.157   0.058 -10.430
   46   1HG   GLN   6          2HG       GLN   6  -2.595  -1.661 -10.641
   47   2HG   GLN   6          1HG       GLN   6  -3.603  -1.132 -11.965
   48   1HE2  GLN   6          1HE2      GLN   6  -1.447   0.200  -9.372
   49   2HE2  GLN   6          2HE2      GLN   6  -0.955   1.596 -10.470
   50    H    LYS   7           H        LYS   7  -4.095   0.929  -6.407
   51    HA   LYS   7           HA       LYS   7  -7.011   1.645  -6.275
   52   1HB   LYS   7          2HB       LYS   7  -6.905  -0.863  -5.521
   53   2HB   LYS   7          1HB       LYS   7  -5.989  -0.364  -4.133
   54   1HG   LYS   7          1HG       LYS   7  -8.263  -0.609  -3.401
   55   2HG   LYS   7          2HG       LYS   7  -8.000   1.126  -3.436
   56   1HD   LYS   7          2HD       LYS   7  -9.127   1.198  -5.759
   57   2HD   LYS   7          1HD       LYS   7  -9.404  -0.537  -5.645
   58   1HE   LYS   7          2HE       LYS   7 -10.826  -0.161  -3.544
   59   2HE   LYS   7          1HE       LYS   7 -10.520   1.578  -3.653
   60   1HZ   LYS   7          1HZ       LYS   7 -11.580   1.550  -5.926
   61   2HZ   LYS   7          2HZ       LYS   7 -11.884  -0.053  -5.807
   62   3HZ   LYS   7          3HZ       LYS   7 -12.651   1.002  -4.806
   63    H    LEU   8           H        LEU   8  -5.084   1.240  -3.333
   64    HA   LEU   8           HA       LEU   8  -4.757   4.313  -3.119
   65   1HB   LEU   8          1HB       LEU   8  -6.008   4.342  -1.038
   66   2HB   LEU   8          2HB       LEU   8  -6.973   3.492  -2.183
   67    HG   LEU   8           HG       LEU   8  -5.767   1.277  -0.951
   68   1HD1  LEU   8          1HD1      LEU   8  -5.680   1.668   1.511
   69   2HD1  LEU   8          2HD1      LEU   8  -4.426   2.562   0.660
   70   3HD1  LEU   8          3HD1      LEU   8  -5.892   3.415   1.215
   71   1HD2  LEU   8          1HD2      LEU   8  -7.757   1.090   0.532
   72   2HD2  LEU   8          2HD2      LEU   8  -8.138   2.811   0.318
   73   3HD2  LEU   8          3HD2      LEU   8  -8.290   1.678  -1.060
   74    H    VAL   9           H        VAL   9  -3.054   1.538  -2.622
   75    HA   VAL   9           HA       VAL   9  -1.888   1.648  -0.038
   76    HB   VAL   9           HB       VAL   9  -0.538   0.646  -2.592
   77   1HG1  VAL   9          1HG2      VAL   9   0.632  -0.937  -1.195
   78   2HG1  VAL   9          2HG2      VAL   9   1.077   0.703  -0.742
   79   3HG1  VAL   9          3HG2      VAL   9  -0.063  -0.202   0.294
   80   1HG2  VAL   9          1HG1      VAL   9  -2.288  -0.981  -0.620
   81   2HG2  VAL   9          2HG1      VAL   9  -2.778  -0.547  -2.282
   82   3HG2  VAL   9          3HG1      VAL   9  -1.414  -1.633  -2.024
   83    H    PHE  10           H        PHE  10  -1.266   3.333   0.742
   84    HA   PHE  10           HA       PHE  10   1.025   5.147  -0.051
   85   1HB   PHE  10          1HB       PHE  10   0.251   6.330   2.128
   86   2HB   PHE  10          2HB       PHE  10  -0.963   6.217   0.885
   87    HD1  PHE  10           HD1      PHE  10   0.079   4.731   4.215
   88    HD2  PHE  10           HD2      PHE  10  -3.047   5.037   1.302
   89    HE1  PHE  10           HE1      PHE  10  -1.259   3.065   5.391
   90    HE2  PHE  10           HE2      PHE  10  -4.473   3.627   2.748
   91    HZ   PHE  10           HZ       PHE  10  -3.644   2.585   4.673
   92    H    PHE  11           H        PHE  11   0.837   2.264   1.443
   93    HA   PHE  11           HA       PHE  11   3.193   2.668   3.387
   94   1HB   PHE  11          2HB       PHE  11   2.133   0.949   4.784
   95   2HB   PHE  11          1HB       PHE  11   1.028   2.241   4.517
   96    HD1  PHE  11           HD1      PHE  11   1.439  -1.338   4.333
   97    HD2  PHE  11           HD2      PHE  11  -0.901   1.828   2.641
   98    HE1  PHE  11           HE1      PHE  11  -0.389  -2.926   3.855
   99    HE2  PHE  11           HE2      PHE  11  -2.699   0.251   2.148
  100    HZ   PHE  11           HZ       PHE  11  -2.470  -2.115   2.765
  101    H    ALA  12           H        ALA  12   1.837   0.377   1.032
  102    HA   ALA  12           HA       ALA  12   4.319  -1.411   1.290
  103   1HB   ALA  12          1HB       ALA  12   2.117  -2.264   1.994
  104   2HB   ALA  12          2HB       ALA  12   1.367  -1.846   0.471
  105   3HB   ALA  12          3HB       ALA  12   2.596  -3.087   0.464
  106    H    GLU  13           H        GLU  13   2.353  -1.988  -1.564
  107    HA   GLU  13           HA       GLU  13   4.733  -0.975  -3.232
  108   1HB   GLU  13          2HB       GLU  13   4.747  -3.493  -2.307
  109   2HB   GLU  13          1HB       GLU  13   3.444  -3.791  -3.422
  110   1HG   GLU  13          1HG       GLU  13   5.810  -2.481  -4.753
  111   2HG   GLU  13          2HG       GLU  13   6.288  -3.900  -3.852
  112    H    ASP  14           H        ASP  14   1.706  -0.248  -3.339
  113    HA   ASP  14           HA       ASP  14   1.400  -0.578  -6.403
  114   1HB   ASP  14          2HB       ASP  14  -0.608  -0.587  -4.646
  115   2HB   ASP  14          1HB       ASP  14  -0.372   1.169  -4.592
  116    H    VAL  15           H        VAL  15   3.472   0.876  -5.028
  117    HA   VAL  15           HA       VAL  15   4.501   2.785  -6.805
  118    HB   VAL  15           HB       VAL  15   2.582   4.294  -6.312
  119   1HG1  VAL  15          1HG2      VAL  15   1.978   3.498  -3.966
  120   2HG1  VAL  15          2HG2      VAL  15   3.405   4.352  -3.340
  121   3HG1  VAL  15          3HG2      VAL  15   2.079   5.249  -4.114
  122   1HG2  VAL  15          1HG1      VAL  15   5.023   5.563  -4.958
  123   2HG2  VAL  15          2HG1      VAL  15   4.763   5.463  -6.715
  124   3HG2  VAL  15          3HG1      VAL  15   3.645   6.400  -5.696
  125    H    GLY  16           H        GLY  16   4.423   1.496  -3.413
  126   1HA   GLY  16          1HA       GLY  16   6.593   0.925  -2.305
  127   2HA   GLY  16          2HA       GLY  16   7.441   2.115  -3.271
  128    H    SER  17           H        SER  17   4.884   1.816  -0.986
  129    HA   SER  17           HA       SER  17   4.001   3.191   0.804
  130   1HB   SER  17          1HB       SER  17   6.978   3.902   1.180
  131   2HB   SER  17          2HB       SER  17   5.744   3.877   2.434
  132    HG   SER  17           HG       SER  17   5.602   1.546   2.139
  133    H    ASN  18           H        ASN  18   3.508   4.871  -1.462
  134    HA   ASN  18           HA       ASN  18   3.169   7.450  -0.183
  135   1HB   ASN  18          2HB       ASN  18   5.755   7.539  -0.724
  136   2HB   ASN  18          1HB       ASN  18   5.327   7.566  -2.415
  137   1HD2  ASN  18          2HD2      ASN  18   6.777   9.588  -1.433
  138   2HD2  ASN  18          1HD2      ASN  18   5.726  11.094  -1.283
  139    H    LYS  19           H        LYS  19   1.129   6.537  -1.118
  140    HA   LYS  19           HA       LYS  19   0.628   6.958  -4.128
  141   1HB   LYS  19          2HB       LYS  19  -0.288   4.950  -2.806
  142   2HB   LYS  19          1HB       LYS  19  -1.209   5.992  -1.811
  143   1HG   LYS  19          1HG       LYS  19  -2.921   5.753  -3.261
  144   2HG   LYS  19          2HG       LYS  19  -2.130   6.781  -4.404
  145   1HD   LYS  19          1HD       LYS  19  -1.858   3.691  -4.287
  146   2HD   LYS  19          2HD       LYS  19  -2.960   4.573  -5.332
  147   1HE   LYS  19          2HE       LYS  19  -0.919   5.729  -6.440
  148   2HE   LYS  19          1HE       LYS  19   0.129   4.728  -5.431
  149   1HZ   LYS  19          1HZ       LYS  19  -1.404   3.858  -7.796
  150   2HZ   LYS  19          2HZ       LYS  19  -0.063   3.168  -7.078
  151   3HZ   LYS  19          3HZ       LYS  19  -1.525   2.788  -6.550
  152    H    GLY  20           H        GLY  20   1.395   9.266  -3.525
  153   1HA   GLY  20          1HA       GLY  20   0.852  11.689  -3.251
  154   2HA   GLY  20          2HA       GLY  20  -0.837  11.264  -3.598
  155    H    ALA  21           H        ALA  21   1.341  10.145  -1.101
  156    HA   ALA  21           HA       ALA  21  -0.560  10.966   1.198
  157   1HB   ALA  21          1HB       ALA  21  -0.264   8.637   1.961
  158   2HB   ALA  21          2HB       ALA  21  -0.758   8.599   0.257
  159   3HB   ALA  21          3HB       ALA  21   0.928   8.306   0.689
  160    H    ILE  22           H        ILE  22   2.842   9.947   0.624
  161    HA   ILE  22           HA       ILE  22   4.812  10.270   1.940
  162    HB   ILE  22           HB       ILE  22   3.151  12.394   3.477
  163   1HG1  ILE  22          1HG1      ILE  22   4.903  13.973   2.567
  164   2HG1  ILE  22          2HG1      ILE  22   5.632  12.670   1.651
  165   1HG2  ILE  22          1HG2      ILE  22   5.238  13.031   4.688
  166   2HG2  ILE  22          2HG2      ILE  22   4.731  11.399   5.121
  167   3HG2  ILE  22          3HG2      ILE  22   6.090  11.625   4.000
  168   1HD1  ILE  22          1HD1      ILE  22   2.745  13.714   1.202
  169   2HD1  ILE  22          2HD1      ILE  22   4.175  14.237   0.280
  170   3HD1  ILE  22          3HD1      ILE  22   3.615  12.560   0.159
  171    H    ILE  23           H        ILE  23   1.762   9.849   3.807
  172    HA   ILE  23           HA       ILE  23   2.058   7.184   4.445
  173    HB   ILE  23           HB       ILE  23   4.069   7.624   5.874
  174   1HG1  ILE  23          2HG1      ILE  23   3.434   6.593   8.047
  175   2HG1  ILE  23          1HG1      ILE  23   1.734   6.804   7.676
  176   1HG2  ILE  23          1HG2      ILE  23   3.598   9.998   6.624
  177   2HG2  ILE  23          2HG2      ILE  23   2.445   9.370   7.819
  178   3HG2  ILE  23          3HG2      ILE  23   4.163   8.931   7.921
  179   1HD1  ILE  23          1HD1      ILE  23   2.563   4.459   7.197
  180   2HD1  ILE  23          2HD1      ILE  23   1.972   5.208   5.701
  181   3HD1  ILE  23          3HD1      ILE  23   3.723   5.091   6.005
  182    H    GLY  24           H        GLY  24  -0.070   7.115   4.163
  183   1HA   GLY  24          1HA       GLY  24  -2.379   7.103   4.826
  184   2HA   GLY  24          2HA       GLY  24  -1.949   7.862   6.330
  185    H    LEU  25           H        LEU  25  -1.016  10.367   5.307
  186    HA   LEU  25           HA       LEU  25  -3.655  11.754   4.998
  187   1HB   LEU  25          1HB       LEU  25  -0.756  12.809   4.924
  188   2HB   LEU  25          2HB       LEU  25  -2.162  13.843   4.903
  189    HG   LEU  25           HG       LEU  25  -1.482  11.952   7.238
  190   1HD1  LEU  25          1HD1      LEU  25  -0.793  14.043   8.432
  191   2HD1  LEU  25          2HD1      LEU  25   0.195  13.806   6.979
  192   3HD1  LEU  25          3HD1      LEU  25  -1.112  15.014   6.974
  193   1HD2  LEU  25          1HD2      LEU  25  -3.634  14.178   7.010
  194   2HD2  LEU  25          2HD2      LEU  25  -3.944  12.432   7.171
  195   3HD2  LEU  25          3HD2      LEU  25  -3.202  13.319   8.507
  196    H    MET  26           H        MET  26  -4.521  11.070   3.065
  197    HA   MET  26           HA       MET  26  -3.263  11.327   0.395
  198   1HB   MET  26          1HB       MET  26  -6.201  11.019   1.341
  199   2HB   MET  26          2HB       MET  26  -5.753  11.062  -0.348
  200   1HG   MET  26          1HG       MET  26  -4.669   8.943   1.612
  201   2HG   MET  26          2HG       MET  26  -5.997   8.702   0.462
  202   1HE   MET  26          1HE       MET  26  -3.856   6.569  -0.123
  203   2HE   MET  26          2HE       MET  26  -2.782   7.533   0.947
  204   3HE   MET  26          3HE       MET  26  -2.286   7.148  -0.716
  205    HXT  MET  26           HO        OH  27  -2.503  13.393   1.097
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1   3.035 -13.174   3.581
    2   2H    TYR   1          2H        TYR   1   3.310 -12.406   5.000
    3    HA   TYR   1           HA       TYR   1   2.270 -10.356   4.127
    4   1HB   TYR   1          1HB       TYR   1   4.757 -10.761   4.184
    5   2HB   TYR   1          2HB       TYR   1   4.699 -11.594   2.651
    6    HD1  TYR   1           HD1      TYR   1   4.742 -10.340   0.566
    7    HD2  TYR   1           HD2      TYR   1   4.235  -8.216   4.276
    8    HE1  TYR   1           HE1      TYR   1   5.044  -8.205  -0.606
    9    HE2  TYR   1           HE2      TYR   1   4.536  -6.078   3.073
   10    HH   TYR   1           HH       TYR   1   4.634  -5.965  -0.474
   11    H    GLU   2           H        GLU   2   0.564  -9.894   2.904
   12    HA   GLU   2           HA       GLU   2   0.483 -10.524  -0.038
   13   1HB   GLU   2          2HB       GLU   2  -1.772 -11.511  -0.005
   14   2HB   GLU   2          1HB       GLU   2  -0.576 -12.553   0.717
   15   1HG   GLU   2          2HG       GLU   2  -1.467 -12.230   2.980
   16   2HG   GLU   2          1HG       GLU   2  -2.505 -10.900   2.488
   17    H    VAL   3           H        VAL   3   0.689  -8.295  -0.256
   18    HA   VAL   3           HA       VAL   3  -1.322  -6.442   1.019
   19    HB   VAL   3           HB       VAL   3   0.255  -5.331  -1.402
   20   1HG1  VAL   3          1HG2      VAL   3   0.168  -3.281  -0.070
   21   2HG1  VAL   3          2HG2      VAL   3  -1.466  -3.959  -0.162
   22   3HG1  VAL   3          3HG2      VAL   3  -0.521  -4.116   1.334
   23   1HG2  VAL   3          1HG1      VAL   3   2.196  -4.699   0.030
   24   2HG2  VAL   3          2HG1      VAL   3   1.573  -5.665   1.393
   25   3HG2  VAL   3          3HG1      VAL   3   2.113  -6.453  -0.107
   26    H    HIS   4           H        HIS   4  -3.357  -6.276   0.176
   27    HA   HIS   4           HA       HIS   4  -4.002  -7.193  -2.660
   28   1HB   HIS   4          1HB       HIS   4  -5.797  -6.251  -0.320
   29   2HB   HIS   4          2HB       HIS   4  -6.401  -6.590  -1.914
   30    HD1  HIS   4           HD1      HIS   4  -7.447  -8.973  -2.090
   31    HD2  HIS   4           HD2      HIS   4  -4.139  -8.700   0.636
   32    HE1  HIS   4           HE1      HIS   4  -6.980 -11.287  -0.990
   33    HE2  HIS   4           HE2      HIS   4  -4.964 -11.224   0.661
   34    H    HIS   5           H        HIS   5  -2.445  -5.573  -3.361
   35    HA   HIS   5           HA       HIS   5  -3.228  -2.665  -3.305
   36   1HB   HIS   5          1HB       HIS   5  -0.883  -2.375  -3.779
   37   2HB   HIS   5          2HB       HIS   5  -0.988  -3.552  -2.531
   38    HD1  HIS   5           HD1      HIS   5   0.374  -5.980  -3.057
   39    HD2  HIS   5           HD2      HIS   5  -0.506  -3.329  -6.179
   40    HE1  HIS   5           HE1      HIS   5   1.871  -6.600  -5.051
   41    HE2  HIS   5           HE2      HIS   5   1.427  -5.080  -7.114
   42    H    GLN   6           H        GLN   6  -3.375  -1.396  -5.026
   43    HA   GLN   6           HA       GLN   6  -3.223  -2.187  -7.853
   44   1HB   GLN   6          2HB       GLN   6  -5.960  -1.534  -8.057
   45   2HB   GLN   6          1HB       GLN   6  -5.214  -3.068  -8.291
   46   1HG   GLN   6          1HG       GLN   6  -7.177  -3.438  -7.042
   47   2HG   GLN   6          2HG       GLN   6  -5.841  -3.860  -6.019
   48   1HE2  GLN   6          1HE2      GLN   6  -5.591  -2.642  -4.074
   49   2HE2  GLN   6          2HE2      GLN   6  -6.868  -1.418  -3.557
   50    H    LYS   7           H        LYS   7  -4.967  -0.010  -5.703
   51    HA   LYS   7           HA       LYS   7  -3.424   2.396  -6.417
   52   1HB   LYS   7          1HB       LYS   7  -5.236   3.775  -7.572
   53   2HB   LYS   7          2HB       LYS   7  -4.381   2.596  -8.503
   54   1HG   LYS   7          1HG       LYS   7  -6.546   2.603  -9.345
   55   2HG   LYS   7          2HG       LYS   7  -6.373   1.060  -8.559
   56   1HD   LYS   7          2HD       LYS   7  -7.657   3.462  -7.097
   57   2HD   LYS   7          1HD       LYS   7  -8.591   2.590  -8.299
   58   1HE   LYS   7          1HE       LYS   7  -8.545   0.487  -7.105
   59   2HE   LYS   7          2HE       LYS   7  -7.233   0.982  -6.049
   60   1HZ   LYS   7          1HZ       LYS   7  -8.667   2.640  -5.003
   61   2HZ   LYS   7          2HZ       LYS   7  -9.936   2.308  -6.001
   62   3HZ   LYS   7          3HZ       LYS   7  -9.428   1.178  -4.909
   63    H    LEU   8           H        LEU   8  -3.425   1.973  -4.163
   64    HA   LEU   8           HA       LEU   8  -5.247   3.825  -2.615
   65   1HB   LEU   8          2HB       LEU   8  -6.775   2.024  -2.381
   66   2HB   LEU   8          1HB       LEU   8  -5.562   0.783  -2.530
   67    HG   LEU   8           HG       LEU   8  -4.823   1.068  -0.180
   68   1HD1  LEU   8          1HD1      LEU   8  -5.410   3.424   0.308
   69   2HD1  LEU   8          2HD1      LEU   8  -7.147   3.064   0.108
   70   3HD1  LEU   8          3HD1      LEU   8  -6.217   2.338   1.446
   71   1HD2  LEU   8          1HD2      LEU   8  -6.732   0.027   0.918
   72   2HD2  LEU   8          2HD2      LEU   8  -7.831   0.529  -0.387
   73   3HD2  LEU   8          3HD2      LEU   8  -6.517  -0.649  -0.702
   74    H    VAL   9           H        VAL   9  -3.104   1.188  -2.154
   75    HA   VAL   9           HA       VAL   9  -1.942   1.587   0.334
   76    HB   VAL   9           HB       VAL   9  -0.656   0.314  -2.152
   77   1HG1  VAL   9          1HG2      VAL   9   0.984   0.543  -0.336
   78   2HG1  VAL   9          2HG2      VAL   9  -0.125  -0.148   0.864
   79   3HG1  VAL   9          3HG2      VAL   9   0.497  -1.153  -0.458
   80   1HG2  VAL   9          1HG1      VAL   9  -2.905  -0.756  -1.696
   81   2HG2  VAL   9          2HG1      VAL   9  -1.618  -1.860  -1.241
   82   3HG2  VAL   9          3HG1      VAL   9  -2.494  -0.964   0.021
   83    H    PHE  10           H        PHE  10  -1.324   3.220   0.957
   84    HA   PHE  10           HA       PHE  10   0.763   5.178   0.056
   85   1HB   PHE  10          2HB       PHE  10  -0.038   6.259   2.308
   86   2HB   PHE  10          1HB       PHE  10  -1.234   6.115   1.062
   87    HD1  PHE  10           HD1      PHE  10  -0.266   4.954   4.458
   88    HD2  PHE  10           HD2      PHE  10  -3.159   4.517   1.320
   89    HE1  PHE  10           HE1      PHE  10  -1.489   3.326   5.768
   90    HE2  PHE  10           HE2      PHE  10  -4.446   2.971   2.718
   91    HZ   PHE  10           HZ       PHE  10  -3.705   2.407   4.952
   92    H    PHE  11           H        PHE  11   0.735   2.345   1.798
   93    HA   PHE  11           HA       PHE  11   3.237   2.915   3.470
   94   1HB   PHE  11          2HB       PHE  11   2.392   1.157   4.978
   95   2HB   PHE  11          1HB       PHE  11   1.192   2.381   4.779
   96    HD1  PHE  11           HD1      PHE  11   1.779  -1.215   4.580
   97    HD2  PHE  11           HD2      PHE  11  -0.813   1.881   3.135
   98    HE1  PHE  11           HE1      PHE  11   0.024  -2.883   4.082
   99    HE2  PHE  11           HE2      PHE  11  -2.570   0.241   2.716
  100    HZ   PHE  11           HZ       PHE  11  -2.180  -2.121   3.143
  101    H    ALA  12           H        ALA  12   2.227   0.895   0.763
  102    HA   ALA  12           HA       ALA  12   4.854  -0.679   1.058
  103   1HB   ALA  12          1HB       ALA  12   3.021  -1.809   2.321
  104   2HB   ALA  12          2HB       ALA  12   1.987  -1.821   0.883
  105   3HB   ALA  12          3HB       ALA  12   3.472  -2.787   0.891
  106    H    GLU  13           H        GLU  13   2.175  -1.355  -1.234
  107    HA   GLU  13           HA       GLU  13   4.373  -1.410  -3.378
  108   1HB   GLU  13          2HB       GLU  13   2.514  -3.557  -2.190
  109   2HB   GLU  13          1HB       GLU  13   2.625  -3.622  -3.916
  110   1HG   GLU  13          1HG       GLU  13   5.102  -3.914  -3.859
  111   2HG   GLU  13          2HG       GLU  13   5.088  -3.797  -2.095
  112    H    ASP  14           H        ASP  14   1.219  -0.467  -3.467
  113    HA   ASP  14           HA       ASP  14   1.320  -0.693  -6.591
  114   1HB   ASP  14          1HB       ASP  14  -0.888   0.225  -6.773
  115   2HB   ASP  14          2HB       ASP  14  -0.845  -1.173  -5.770
  116    H    VAL  15           H        VAL  15   3.171   0.815  -5.080
  117    HA   VAL  15           HA       VAL  15   3.985   2.919  -6.810
  118    HB   VAL  15           HB       VAL  15   2.007   4.224  -5.993
  119   1HG1  VAL  15          1HG2      VAL  15   1.800   5.087  -3.669
  120   2HG1  VAL  15          2HG2      VAL  15   1.747   3.318  -3.667
  121   3HG1  VAL  15          3HG2      VAL  15   3.226   4.168  -3.160
  122   1HG2  VAL  15          1HG1      VAL  15   4.033   5.513  -6.678
  123   2HG2  VAL  15          2HG1      VAL  15   3.036   6.367  -5.481
  124   3HG2  VAL  15          3HG1      VAL  15   4.551   5.590  -4.978
  125    H    GLY  16           H        GLY  16   4.175   1.578  -3.459
  126   1HA   GLY  16          1HA       GLY  16   6.453   0.924  -2.574
  127   2HA   GLY  16          2HA       GLY  16   7.200   2.191  -3.516
  128    H    SER  17           H        SER  17   4.706   1.809  -1.052
  129    HA   SER  17           HA       SER  17   4.042   3.169   0.845
  130   1HB   SER  17          2HB       SER  17   7.099   3.595   1.040
  131   2HB   SER  17          1HB       SER  17   5.959   3.690   2.374
  132    HG   SER  17           HG       SER  17   5.603   1.441   2.226
  133    H    ASN  18           H        ASN  18   3.559   4.848  -1.323
  134    HA   ASN  18           HA       ASN  18   3.437   7.449  -0.021
  135   1HB   ASN  18          2HB       ASN  18   5.963   7.446  -0.699
  136   2HB   ASN  18          1HB       ASN  18   5.461   7.392  -2.375
  137   1HD2  ASN  18          2HD2      ASN  18   6.878   9.394  -2.160
  138   2HD2  ASN  18          1HD2      ASN  18   5.982  10.956  -1.763
  139    H    LYS  19           H        LYS  19   1.306   6.711  -0.766
  140    HA   LYS  19           HA       LYS  19   0.593   7.248  -3.726
  141   1HB   LYS  19          2HB       LYS  19  -0.320   5.181  -2.376
  142   2HB   LYS  19          1HB       LYS  19  -1.158   6.279  -1.364
  143   1HG   LYS  19          1HG       LYS  19  -2.921   6.123  -2.789
  144   2HG   LYS  19          2HG       LYS  19  -2.103   7.173  -3.903
  145   1HD   LYS  19          1HD       LYS  19  -1.924   4.099  -3.826
  146   2HD   LYS  19          2HD       LYS  19  -3.042   4.993  -4.845
  147   1HE   LYS  19          1HE       LYS  19  -1.135   5.995  -6.175
  148   2HE   LYS  19          2HE       LYS  19   0.031   5.240  -5.082
  149   1HZ   LYS  19          1HZ       LYS  19  -1.759   3.793  -7.018
  150   2HZ   LYS  19          2HZ       LYS  19  -0.154   3.488  -6.683
  151   3HZ   LYS  19          3HZ       LYS  19  -1.256   3.025  -5.625
  152    H    GLY  20           H        GLY  20   1.505   9.484  -2.942
  153   1HA   GLY  20          1HA       GLY  20   1.084  11.891  -2.423
  154   2HA   GLY  20          2HA       GLY  20  -0.645  11.562  -2.685
  155    H    ALA  21           H        ALA  21   1.794  10.288  -0.459
  156    HA   ALA  21           HA       ALA  21   0.099  10.913   2.055
  157   1HB   ALA  21          1HB       ALA  21   1.195   8.158   1.118
  158   2HB   ALA  21          2HB       ALA  21   0.197   8.477   2.551
  159   3HB   ALA  21          3HB       ALA  21  -0.481   8.679   0.930
  160    H    ILE  22           H        ILE  22   3.228   9.483   1.067
  161    HA   ILE  22           HA       ILE  22   5.245   9.091   2.287
  162    HB   ILE  22           HB       ILE  22   4.558  11.646   3.896
  163   1HG1  ILE  22          1HG1      ILE  22   6.301  12.744   2.174
  164   2HG1  ILE  22          2HG1      ILE  22   5.854  11.444   1.095
  165   1HG2  ILE  22          1HG2      ILE  22   7.301  10.366   3.201
  166   2HG2  ILE  22          2HG2      ILE  22   7.059  11.864   4.129
  167   3HG2  ILE  22          3HG2      ILE  22   6.534  10.332   4.800
  168   1HD1  ILE  22          1HD1      ILE  22   3.515  12.347   0.978
  169   2HD1  ILE  22          2HD1      ILE  22   3.835  13.461   2.331
  170   3HD1  ILE  22          3HD1      ILE  22   4.643  13.689   0.761
  171    H    ILE  23           H        ILE  23   2.876   7.734   2.987
  172    HA   ILE  23           HA       ILE  23   1.980   6.202   4.449
  173    HB   ILE  23           HB       ILE  23   4.409   6.740   6.288
  174   1HG1  ILE  23          2HG1      ILE  23   4.567   4.187   4.681
  175   2HG1  ILE  23          1HG1      ILE  23   4.633   5.600   3.672
  176   1HG2  ILE  23          1HG2      ILE  23   2.588   4.244   6.211
  177   2HG2  ILE  23          2HG2      ILE  23   4.057   4.424   7.203
  178   3HG2  ILE  23          3HG2      ILE  23   2.662   5.465   7.505
  179   1HD1  ILE  23          1HD1      ILE  23   6.505   5.100   6.081
  180   2HD1  ILE  23          2HD1      ILE  23   6.924   4.923   4.357
  181   3HD1  ILE  23          3HD1      ILE  23   6.555   6.533   5.020
  182    H    GLY  24           H        GLY  24   0.205   7.559   4.769
  183   1HA   GLY  24          1HA       GLY  24  -0.762   7.997   7.375
  184   2HA   GLY  24          2HA       GLY  24   0.148   9.467   7.131
  185    H    LEU  25           H        LEU  25  -0.451  10.581   4.932
  186    HA   LEU  25           HA       LEU  25  -3.505  10.969   4.994
  187   1HB   LEU  25          1HB       LEU  25  -3.008  13.293   4.432
  188   2HB   LEU  25          2HB       LEU  25  -2.077  12.795   5.786
  189    HG   LEU  25           HG       LEU  25  -0.159  12.396   3.798
  190   1HD1  LEU  25          1HD1      LEU  25  -0.238  14.315   2.202
  191   2HD1  LEU  25          2HD1      LEU  25  -1.635  13.262   1.949
  192   3HD1  LEU  25          3HD1      LEU  25  -1.837  14.803   2.815
  193   1HD2  LEU  25          1HD2      LEU  25  -0.738  15.068   5.219
  194   2HD2  LEU  25          2HD2      LEU  25   0.184  13.697   5.885
  195   3HD2  LEU  25          3HD2      LEU  25   0.810  14.579   4.483
  196    H    MET  26           H        MET  26  -4.230  12.185   2.882
  197    HA   MET  26           HA       MET  26  -3.395  10.606   0.374
  198   1HB   MET  26          1HB       MET  26  -6.212  10.811   1.619
  199   2HB   MET  26          2HB       MET  26  -6.019  10.582  -0.100
  200   1HG   MET  26          1HG       MET  26  -4.697   8.632   1.887
  201   2HG   MET  26          2HG       MET  26  -6.344   8.431   1.274
  202   1HE   MET  26          1HE       MET  26  -3.136   6.384  -0.683
  203   2HE   MET  26          2HE       MET  26  -3.538   6.690   1.012
  204   3HE   MET  26          3HE       MET  26  -2.448   7.798   0.128
  205    HXT  MET  26           HO        OH  27  -2.331  12.368  -0.202
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1   3.350  -6.679   5.226
    2   2H    TYR   1          2H        TYR   1   2.415  -6.615   6.568
    3    HA   TYR   1           HA       TYR   1   0.471  -7.391   5.292
    4   1HB   TYR   1          1HB       TYR   1   0.897  -4.978   5.821
    5   2HB   TYR   1          2HB       TYR   1   1.964  -4.816   4.448
    6    HD1  TYR   1           HD1      TYR   1  -1.621  -6.096   4.966
    7    HD2  TYR   1           HD2      TYR   1   0.998  -3.496   2.759
    8    HE1  TYR   1           HE1      TYR   1  -3.508  -5.364   3.576
    9    HE2  TYR   1           HE2      TYR   1  -0.912  -2.748   1.392
   10    HH   TYR   1           HH       TYR   1  -4.196  -3.852   2.032
   11    H    GLU   2           H        GLU   2  -0.116  -8.570   3.621
   12    HA   GLU   2           HA       GLU   2   1.666  -9.540   1.498
   13   1HB   GLU   2          1HB       GLU   2  -1.420  -9.563   1.713
   14   2HB   GLU   2          2HB       GLU   2  -0.503 -10.515   0.557
   15   1HG   GLU   2          1HG       GLU   2   0.504 -11.884   2.404
   16   2HG   GLU   2          2HG       GLU   2  -0.361 -10.937   3.615
   17    H    VAL   3           H        VAL   3  -0.658  -6.917   1.455
   18    HA   VAL   3           HA       VAL   3  -1.156  -5.168  -0.084
   19    HB   VAL   3           HB       VAL   3   1.024  -6.087  -2.069
   20   1HG1  VAL   3          1HG2      VAL   3  -0.111  -3.299  -1.480
   21   2HG1  VAL   3          2HG2      VAL   3   1.027  -3.732  -2.765
   22   3HG1  VAL   3          3HG2      VAL   3  -0.629  -4.334  -2.830
   23   1HG2  VAL   3          1HG1      VAL   3   2.223  -5.796   0.143
   24   2HG2  VAL   3          2HG1      VAL   3   2.630  -4.478  -0.951
   25   3HG2  VAL   3          3HG1      VAL   3   1.467  -4.210   0.370
   26    H    HIS   4           H        HIS   4  -3.163  -6.072  -0.503
   27    HA   HIS   4           HA       HIS   4  -3.524  -8.128  -2.721
   28   1HB   HIS   4          1HB       HIS   4  -5.568  -6.699  -0.905
   29   2HB   HIS   4          2HB       HIS   4  -5.987  -7.833  -2.158
   30    HD1  HIS   4           HD1      HIS   4  -7.194  -9.261  -0.179
   31    HD2  HIS   4           HD2      HIS   4  -2.905  -9.050  -0.098
   32    HE1  HIS   4           HE1      HIS   4  -6.232 -11.044   1.452
   33    HE2  HIS   4           HE2      HIS   4  -3.653 -10.948   1.645
   34    H    HIS   5           H        HIS   5  -2.380  -6.703  -4.094
   35    HA   HIS   5           HA       HIS   5  -2.657  -4.219  -5.030
   36   1HB   HIS   5          2HB       HIS   5  -2.254  -6.948  -6.504
   37   2HB   HIS   5          1HB       HIS   5  -2.258  -5.516  -7.480
   38    HD1  HIS   5           HD1      HIS   5   0.423  -7.466  -6.128
   39    HD2  HIS   5           HD2      HIS   5  -0.875  -3.411  -5.957
   40    HE1  HIS   5           HE1      HIS   5   2.484  -5.960  -5.721
   41    HE2  HIS   5           HE2      HIS   5   1.879  -3.436  -5.648
   42    H    GLN   6           H        GLN   6  -3.995  -2.819  -5.637
   43    HA   GLN   6           HA       GLN   6  -5.760  -3.267  -7.874
   44   1HB   GLN   6          2HB       GLN   6  -8.008  -2.948  -6.560
   45   2HB   GLN   6          1HB       GLN   6  -7.180  -4.383  -6.063
   46   1HG   GLN   6          1HG       GLN   6  -7.146  -3.722  -3.895
   47   2HG   GLN   6          2HG       GLN   6  -6.145  -2.359  -4.252
   48   1HE2  GLN   6          1HE2      GLN   6  -7.544  -0.463  -5.352
   49   2HE2  GLN   6          2HE2      GLN   6  -9.011  -0.073  -4.307
   50    H    LYS   7           H        LYS   7  -4.074  -1.018  -6.228
   51    HA   LYS   7           HA       LYS   7  -3.688   1.261  -6.705
   52   1HB   LYS   7          2HB       LYS   7  -6.396   1.546  -8.156
   53   2HB   LYS   7          1HB       LYS   7  -5.094   2.685  -8.120
   54   1HG   LYS   7          1HG       LYS   7  -5.408   0.206  -9.784
   55   2HG   LYS   7          2HG       LYS   7  -4.917   1.804 -10.285
   56   1HD   LYS   7          2HD       LYS   7  -3.247  -0.349  -8.874
   57   2HD   LYS   7          1HD       LYS   7  -3.103   0.104 -10.551
   58   1HE   LYS   7          2HE       LYS   7  -1.947   2.185 -10.100
   59   2HE   LYS   7          1HE       LYS   7  -2.556   2.290  -8.452
   60   1HZ   LYS   7          1HZ       LYS   7  -0.358   1.391  -8.113
   61   2HZ   LYS   7          2HZ       LYS   7  -1.315   0.105  -7.967
   62   3HZ   LYS   7          3HZ       LYS   7  -0.478   0.303  -9.384
   63    H    LEU   8           H        LEU   8  -3.757   1.472  -4.548
   64    HA   LEU   8           HA       LEU   8  -5.820   3.272  -3.331
   65   1HB   LEU   8          2HB       LEU   8  -7.219   1.476  -2.810
   66   2HB   LEU   8          1HB       LEU   8  -5.972   0.276  -2.897
   67    HG   LEU   8           HG       LEU   8  -5.203   0.752  -0.586
   68   1HD1  LEU   8          1HD1      LEU   8  -7.692   2.545  -0.263
   69   2HD1  LEU   8          2HD1      LEU   8  -6.518   2.067   0.997
   70   3HD1  LEU   8          3HD1      LEU   8  -6.021   3.145  -0.308
   71   1HD2  LEU   8          1HD2      LEU   8  -7.082  -0.331   0.571
   72   2HD2  LEU   8          2HD2      LEU   8  -8.188   0.054  -0.770
   73   3HD2  LEU   8          3HD2      LEU   8  -6.826  -1.073  -1.018
   74    H    VAL   9           H        VAL   9  -3.336   0.987  -2.428
   75    HA   VAL   9           HA       VAL   9  -2.499   1.988   0.051
   76    HB   VAL   9           HB       VAL   9  -0.605   0.643  -1.996
   77   1HG1  VAL   9          1HG2      VAL   9   0.578   1.251   0.061
   78   2HG1  VAL   9          2HG2      VAL   9  -0.689   0.555   1.109
   79   3HG1  VAL   9          3HG2      VAL   9   0.313  -0.476   0.076
   80   1HG2  VAL   9          1HG1      VAL   9  -2.590  -0.865  -0.141
   81   2HG2  VAL   9          2HG1      VAL   9  -2.635  -0.846  -1.929
   82   3HG2  VAL   9          3HG1      VAL   9  -1.294  -1.601  -1.100
   83    H    PHE  10           H        PHE  10  -0.930   2.978   0.834
   84    HA   PHE  10           HA       PHE  10   0.520   5.281  -0.578
   85   1HB   PHE  10          2HB       PHE  10   0.119   6.260   1.958
   86   2HB   PHE  10          1HB       PHE  10  -0.918   6.573   0.624
   87    HD1  PHE  10           HD1      PHE  10  -0.947   5.536   4.041
   88    HD2  PHE  10           HD2      PHE  10  -3.051   5.101   0.331
   89    HE1  PHE  10           HE1      PHE  10  -2.853   4.512   5.217
   90    HE2  PHE  10           HE2      PHE  10  -4.822   3.861   1.478
   91    HZ   PHE  10           HZ       PHE  10  -4.793   3.606   3.914
   92    H    PHE  11           H        PHE  11   0.653   3.173   2.346
   93    HA   PHE  11           HA       PHE  11   3.644   3.593   2.673
   94   1HB   PHE  11          2HB       PHE  11   3.200   2.316   4.830
   95   2HB   PHE  11          1HB       PHE  11   2.302   3.780   4.650
   96    HD1  PHE  11           HD1      PHE  11   1.768   0.037   3.936
   97    HD2  PHE  11           HD2      PHE  11   0.123   3.663   5.526
   98    HE1  PHE  11           HE1      PHE  11  -0.429  -1.063   4.170
   99    HE2  PHE  11           HE2      PHE  11  -2.010   2.536   5.874
  100    HZ   PHE  11           HZ       PHE  11  -2.372   0.231   5.027
  101    H    ALA  12           H        ALA  12   2.274   1.395   0.569
  102    HA   ALA  12           HA       ALA  12   4.485  -0.664   1.221
  103   1HB   ALA  12          1HB       ALA  12   2.982  -2.404   1.553
  104   2HB   ALA  12          2HB       ALA  12   1.894  -1.113   2.108
  105   3HB   ALA  12          3HB       ALA  12   1.738  -1.787   0.492
  106    H    GLU  13           H        GLU  13   2.335  -1.929  -1.222
  107    HA   GLU  13           HA       GLU  13   4.394  -1.042  -3.333
  108   1HB   GLU  13          2HB       GLU  13   4.622  -3.468  -2.135
  109   2HB   GLU  13          1HB       GLU  13   3.209  -3.892  -3.065
  110   1HG   GLU  13          1HG       GLU  13   4.983  -2.819  -5.046
  111   2HG   GLU  13          2HG       GLU  13   6.077  -3.565  -3.905
  112    H    ASP  14           H        ASP  14   1.411  -0.306  -3.041
  113    HA   ASP  14           HA       ASP  14   0.730  -0.933  -5.981
  114   1HB   ASP  14          1HB       ASP  14  -0.948  -0.917  -3.683
  115   2HB   ASP  14          2HB       ASP  14  -1.247   0.678  -4.344
  116    H    VAL  15           H        VAL  15   2.428   1.044  -4.361
  117    HA   VAL  15           HA       VAL  15   2.681   3.281  -6.355
  118    HB   VAL  15           HB       VAL  15   2.500   5.127  -4.737
  119   1HG1  VAL  15          1HG2      VAL  15   0.039   5.145  -4.270
  120   2HG1  VAL  15          2HG2      VAL  15   0.359   4.407  -5.872
  121   3HG1  VAL  15          3HG2      VAL  15  -0.029   3.400  -4.470
  122   1HG2  VAL  15          1HG1      VAL  15   1.736   3.158  -2.497
  123   2HG2  VAL  15          2HG1      VAL  15   3.211   4.162  -2.562
  124   3HG2  VAL  15          3HG1      VAL  15   1.634   4.926  -2.410
  125    H    GLY  16           H        GLY  16   3.928   1.835  -3.315
  126   1HA   GLY  16          1HA       GLY  16   6.369   1.109  -3.254
  127   2HA   GLY  16          2HA       GLY  16   6.806   2.477  -4.251
  128    H    SER  17           H        SER  17   5.198   1.837  -1.159
  129    HA   SER  17           HA       SER  17   5.119   3.131   0.902
  130   1HB   SER  17          2HB       SER  17   6.920   1.358   0.989
  131   2HB   SER  17          1HB       SER  17   8.112   2.502   0.352
  132    HG   SER  17           HG       SER  17   7.593   3.841   2.200
  133    H    ASN  18           H        ASN  18   4.822   5.295  -0.913
  134    HA   ASN  18           HA       ASN  18   6.756   7.421   0.157
  135   1HB   ASN  18          2HB       ASN  18   6.359   6.868  -2.362
  136   2HB   ASN  18          1HB       ASN  18   4.706   7.394  -2.164
  137   1HD2  ASN  18          2HD2      ASN  18   8.084   8.511  -1.925
  138   2HD2  ASN  18          1HD2      ASN  18   7.634  10.239  -2.378
  139    H    LYS  19           H        LYS  19   3.716   6.322   1.105
  140    HA   LYS  19           HA       LYS  19   2.001   7.117   2.490
  141   1HB   LYS  19          1HB       LYS  19   2.369   8.584   4.176
  142   2HB   LYS  19          2HB       LYS  19   3.966   7.977   3.884
  143   1HG   LYS  19          1HG       LYS  19   4.634  10.193   2.849
  144   2HG   LYS  19          2HG       LYS  19   2.966  10.757   2.940
  145   1HD   LYS  19          1HD       LYS  19   3.048  10.527   5.476
  146   2HD   LYS  19          2HD       LYS  19   4.738  10.022   5.359
  147   1HE   LYS  19          2HE       LYS  19   5.319  12.253   4.234
  148   2HE   LYS  19          1HE       LYS  19   3.626  12.744   4.338
  149   1HZ   LYS  19          1HZ       LYS  19   5.354  12.079   6.730
  150   2HZ   LYS  19          2HZ       LYS  19   4.901  13.599   6.295
  151   3HZ   LYS  19          3HZ       LYS  19   3.779  12.521   6.827
  152    H    GLY  20           H        GLY  20   3.180   9.787   0.519
  153   1HA   GLY  20          1HA       GLY  20   0.282  10.713  -0.074
  154   2HA   GLY  20          2HA       GLY  20   1.718  11.671  -0.385
  155    H    ALA  21           H        ALA  21   2.802   8.912  -1.537
  156    HA   ALA  21           HA       ALA  21   3.241   8.035  -3.821
  157   1HB   ALA  21          1HB       ALA  21   0.191   8.338  -3.919
  158   2HB   ALA  21          2HB       ALA  21   1.189   7.301  -4.955
  159   3HB   ALA  21          3HB       ALA  21   1.096   6.957  -3.222
  160    H    ILE  22           H        ILE  22   4.435   9.861  -4.122
  161    HA   ILE  22           HA       ILE  22   3.327  11.857  -6.177
  162    HB   ILE  22           HB       ILE  22   6.241  11.500  -5.243
  163   1HG1  ILE  22          1HG1      ILE  22   4.316  13.696  -4.216
  164   2HG1  ILE  22          2HG1      ILE  22   4.567  12.209  -3.340
  165   1HG2  ILE  22          1HG2      ILE  22   6.023  12.787  -7.432
  166   2HG2  ILE  22          2HG2      ILE  22   4.883  13.911  -6.667
  167   3HG2  ILE  22          3HG2      ILE  22   6.581  13.842  -6.148
  168   1HD1  ILE  22          1HD1      ILE  22   7.040  12.666  -3.116
  169   2HD1  ILE  22          2HD1      ILE  22   6.809  14.241  -3.917
  170   3HD1  ILE  22          3HD1      ILE  22   6.020  13.911  -2.363
  171    H    ILE  23           H        ILE  23   2.782   9.369  -6.941
  172    HA   ILE  23           HA       ILE  23   4.640   8.796  -9.300
  173    HB   ILE  23           HB       ILE  23   5.075   7.200  -7.545
  174   1HG1  ILE  23          2HG1      ILE  23   5.489   6.517  -9.842
  175   2HG1  ILE  23          1HG1      ILE  23   5.210   5.191  -8.741
  176   1HG2  ILE  23          1HG2      ILE  23   3.650   5.405  -6.780
  177   2HG2  ILE  23          2HG2      ILE  23   2.943   6.963  -6.337
  178   3HG2  ILE  23          3HG2      ILE  23   2.248   6.012  -7.679
  179   1HD1  ILE  23          1HD1      ILE  23   3.190   6.174 -10.870
  180   2HD1  ILE  23          2HD1      ILE  23   4.142   4.680 -10.897
  181   3HD1  ILE  23          3HD1      ILE  23   2.853   4.879  -9.692
  182    H    GLY  24           H        GLY  24   1.360   7.902  -8.113
  183   1HA   GLY  24          1HA       GLY  24  -0.168   9.321 -10.150
  184   2HA   GLY  24          2HA       GLY  24   0.171   7.734 -10.827
  185    H    LEU  25           H        LEU  25  -1.058   9.161  -7.771
  186    HA   LEU  25           HA       LEU  25  -3.516   7.433  -7.905
  187   1HB   LEU  25          1HB       LEU  25  -1.558   6.008  -6.863
  188   2HB   LEU  25          2HB       LEU  25  -1.600   7.051  -5.485
  189    HG   LEU  25           HG       LEU  25  -2.723   4.925  -5.090
  190   1HD1  LEU  25          1HD1      LEU  25  -4.984   7.018  -5.170
  191   2HD1  LEU  25          2HD1      LEU  25  -4.894   5.560  -4.160
  192   3HD1  LEU  25          3HD1      LEU  25  -3.764   6.892  -3.884
  193   1HD2  LEU  25          1HD2      LEU  25  -3.411   4.396  -7.444
  194   2HD2  LEU  25          2HD2      LEU  25  -4.754   4.176  -6.296
  195   3HD2  LEU  25          3HD2      LEU  25  -4.722   5.595  -7.349
  196    H    MET  26           H        MET  26  -2.068   8.979  -5.021
  197    HA   MET  26           HA       MET  26  -4.532  10.842  -4.913
  198   1HB   MET  26          1HB       MET  26  -4.253  10.818  -2.485
  199   2HB   MET  26          2HB       MET  26  -4.393   9.208  -3.112
  200   1HG   MET  26          1HG       MET  26  -1.574   9.491  -2.909
  201   2HG   MET  26          2HG       MET  26  -2.156  10.417  -1.534
  202   1HE   MET  26          1HE       MET  26  -0.518   7.292  -1.757
  203   2HE   MET  26          2HE       MET  26  -1.531   7.053  -3.211
  204   3HE   MET  26          3HE       MET  26  -1.705   5.964  -1.832
  205    HXT  MET  26           HO        OH  27  -1.103  10.879  -4.307
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1   3.199 -14.813   1.081
    2   2H    TYR   1          2H        TYR   1   4.227 -13.583   1.366
    3    HA   TYR   1           HA       TYR   1   1.378 -13.663   2.166
    4   1HB   TYR   1          2HB       TYR   1   2.904 -12.465   3.790
    5   2HB   TYR   1          1HB       TYR   1   3.596 -11.520   2.496
    6    HD1  TYR   1           HD1      TYR   1   0.052 -12.294   3.754
    7    HD2  TYR   1           HD2      TYR   1   2.870  -9.266   2.564
    8    HE1  TYR   1           HE1      TYR   1  -1.649 -10.560   4.110
    9    HE2  TYR   1           HE2      TYR   1   1.168  -7.538   2.978
   10    HH   TYR   1           HH       TYR   1  -2.089  -8.377   4.097
   11    H    GLU   2           H        GLU   2  -0.019 -12.497   0.904
   12    HA   GLU   2           HA       GLU   2   0.897 -11.230  -1.694
   13   1HB   GLU   2          1HB       GLU   2  -0.791 -12.435  -2.996
   14   2HB   GLU   2          2HB       GLU   2   0.475 -13.484  -2.414
   15   1HG   GLU   2          1HG       GLU   2  -1.031 -14.573  -0.780
   16   2HG   GLU   2          2HG       GLU   2  -2.316 -13.408  -1.069
   17    H    VAL   3           H        VAL   3   0.407  -9.351  -0.798
   18    HA   VAL   3           HA       VAL   3  -2.081  -8.591   0.611
   19    HB   VAL   3           HB       VAL   3  -0.034  -7.282   0.862
   20   1HG1  VAL   3          1HG2      VAL   3   0.802  -5.575  -0.791
   21   2HG1  VAL   3          2HG2      VAL   3   1.060  -7.227  -1.355
   22   3HG1  VAL   3          3HG2      VAL   3  -0.247  -6.267  -2.039
   23   1HG2  VAL   3          1HG1      VAL   3  -2.185  -6.130   1.365
   24   2HG2  VAL   3          2HG1      VAL   3  -0.955  -4.982   0.820
   25   3HG2  VAL   3          3HG1      VAL   3  -2.249  -5.476  -0.288
   26    H    HIS   4           H        HIS   4  -4.060  -8.439  -0.187
   27    HA   HIS   4           HA       HIS   4  -4.570  -8.125  -3.184
   28   1HB   HIS   4          2HB       HIS   4  -6.402  -9.059  -0.888
   29   2HB   HIS   4          1HB       HIS   4  -6.963  -8.727  -2.506
   30    HD1  HIS   4           HD1      HIS   4  -7.802 -11.337  -2.427
   31    HD2  HIS   4           HD2      HIS   4  -3.570 -10.617  -2.631
   32    HE1  HIS   4           HE1      HIS   4  -6.541 -13.511  -3.105
   33    HE2  HIS   4           HE2      HIS   4  -3.974 -13.199  -3.199
   34    H    HIS   5           H        HIS   5  -4.449  -6.073  -3.632
   35    HA   HIS   5           HA       HIS   5  -6.141  -3.997  -2.173
   36   1HB   HIS   5          2HB       HIS   5  -4.409  -2.315  -2.305
   37   2HB   HIS   5          1HB       HIS   5  -3.875  -3.653  -1.332
   38    HD1  HIS   5           HD1      HIS   5  -2.431  -1.356  -3.954
   39    HD2  HIS   5           HD2      HIS   5  -2.363  -5.514  -2.971
   40    HE1  HIS   5           HE1      HIS   5  -0.359  -2.421  -4.968
   41    HE2  HIS   5           HE2      HIS   5  -0.003  -4.886  -4.302
   42    H    GLN   6           H        GLN   6  -4.046  -4.093  -4.955
   43    HA   GLN   6           HA       GLN   6  -4.193  -3.384  -7.180
   44   1HB   GLN   6          1HB       GLN   6  -6.847  -4.900  -6.674
   45   2HB   GLN   6          2HB       GLN   6  -6.449  -4.309  -8.258
   46   1HG   GLN   6          2HG       GLN   6  -5.836  -6.765  -7.801
   47   2HG   GLN   6          1HG       GLN   6  -4.634  -5.793  -8.604
   48   1HE2  GLN   6          1HE2      GLN   6  -2.761  -5.139  -7.369
   49   2HE2  GLN   6          2HE2      GLN   6  -2.226  -6.200  -5.964
   50    H    LYS   7           H        LYS   7  -4.121  -1.391  -6.022
   51    HA   LYS   7           HA       LYS   7  -4.265   0.975  -6.599
   52   1HB   LYS   7          1HB       LYS   7  -5.737   0.206  -8.675
   53   2HB   LYS   7          2HB       LYS   7  -7.118   0.576  -7.679
   54   1HG   LYS   7          1HG       LYS   7  -6.917   2.595  -8.778
   55   2HG   LYS   7          2HG       LYS   7  -5.960   2.983  -7.361
   56   1HD   LYS   7          2HD       LYS   7  -3.843   2.248  -8.748
   57   2HD   LYS   7          1HD       LYS   7  -4.921   2.060 -10.134
   58   1HE   LYS   7          1HE       LYS   7  -5.650   4.583  -9.713
   59   2HE   LYS   7          2HE       LYS   7  -4.329   4.660  -8.558
   60   1HZ   LYS   7          1HZ       LYS   7  -4.013   3.979 -11.481
   61   2HZ   LYS   7          2HZ       LYS   7  -3.583   5.402 -10.775
   62   3HZ   LYS   7          3HZ       LYS   7  -2.766   4.011 -10.412
   63    H    LEU   8           H        LEU   8  -4.151   1.071  -4.356
   64    HA   LEU   8           HA       LEU   8  -6.356   2.605  -3.011
   65   1HB   LEU   8          2HB       LEU   8  -7.455   0.613  -2.465
   66   2HB   LEU   8          1HB       LEU   8  -6.043  -0.387  -2.555
   67    HG   LEU   8           HG       LEU   8  -5.307   0.232  -0.282
   68   1HD1  LEU   8          1HD1      LEU   8  -6.349   2.526  -0.045
   69   2HD1  LEU   8          2HD1      LEU   8  -7.957   1.780   0.017
   70   3HD1  LEU   8          3HD1      LEU   8  -6.743   1.448   1.293
   71   1HD2  LEU   8          1HD2      LEU   8  -7.063  -1.008   0.953
   72   2HD2  LEU   8          2HD2      LEU   8  -8.217  -0.772  -0.381
   73   3HD2  LEU   8          3HD2      LEU   8  -6.759  -1.772  -0.619
   74    H    VAL   9           H        VAL   9  -3.511   0.681  -2.267
   75    HA   VAL   9           HA       VAL   9  -2.656   1.887   0.131
   76    HB   VAL   9           HB       VAL   9  -0.907   0.535  -2.051
   77   1HG1  VAL   9          1HG2      VAL   9  -0.494   0.717   1.029
   78   2HG1  VAL   9          2HG2      VAL   9   0.399  -0.368  -0.058
   79   3HG1  VAL   9          3HG2      VAL   9   0.546   1.371  -0.257
   80   1HG2  VAL   9          1HG1      VAL   9  -2.474  -0.919   0.197
   81   2HG2  VAL   9          2HG1      VAL   9  -2.851  -0.960  -1.530
   82   3HG2  VAL   9          3HG1      VAL   9  -1.345  -1.672  -0.977
   83    H    PHE  10           H        PHE  10  -1.061   2.940   0.745
   84    HA   PHE  10           HA       PHE  10   0.054   5.368  -0.748
   85   1HB   PHE  10          1HB       PHE  10  -0.213   6.217   1.908
   86   2HB   PHE  10          2HB       PHE  10  -1.305   6.631   0.648
   87    HD1  PHE  10           HD1      PHE  10  -1.231   5.533   3.991
   88    HD2  PHE  10           HD2      PHE  10  -3.353   4.971   0.331
   89    HE1  PHE  10           HE1      PHE  10  -3.014   4.336   5.193
   90    HE2  PHE  10           HE2      PHE  10  -4.980   3.519   1.488
   91    HZ   PHE  10           HZ       PHE  10  -4.891   3.278   3.933
   92    H    PHE  11           H        PHE  11   0.458   3.727   2.401
   93    HA   PHE  11           HA       PHE  11   3.400   4.172   2.544
   94   1HB   PHE  11          2HB       PHE  11   3.110   2.838   4.700
   95   2HB   PHE  11          1HB       PHE  11   2.070   4.207   4.560
   96    HD1  PHE  11           HD1      PHE  11   1.817   0.453   3.655
   97    HD2  PHE  11           HD2      PHE  11  -0.003   3.832   5.584
   98    HE1  PHE  11           HE1      PHE  11  -0.226  -0.854   4.015
   99    HE2  PHE  11           HE2      PHE  11  -1.996   2.504   5.994
  100    HZ   PHE  11           HZ       PHE  11  -2.189   0.192   5.114
  101    H    ALA  12           H        ALA  12   2.110   1.881   0.486
  102    HA   ALA  12           HA       ALA  12   4.616   0.162   0.777
  103   1HB   ALA  12          1HB       ALA  12   3.147  -1.944   1.044
  104   2HB   ALA  12          2HB       ALA  12   3.185  -0.842   2.441
  105   3HB   ALA  12          3HB       ALA  12   1.765  -0.876   1.384
  106    H    GLU  13           H        GLU  13   1.867  -1.310  -0.882
  107    HA   GLU  13           HA       GLU  13   3.711  -1.341  -3.305
  108   1HB   GLU  13          2HB       GLU  13   2.580  -3.387  -1.751
  109   2HB   GLU  13          1HB       GLU  13   1.248  -3.136  -2.846
  110   1HG   GLU  13          1HG       GLU  13   3.156  -3.461  -4.741
  111   2HG   GLU  13          2HG       GLU  13   4.178  -3.932  -3.398
  112    H    ASP  14           H        ASP  14   1.328   0.667  -3.024
  113    HA   ASP  14           HA       ASP  14   0.642   0.432  -6.080
  114   1HB   ASP  14          1HB       ASP  14  -0.842   1.944  -3.838
  115   2HB   ASP  14          2HB       ASP  14  -1.039   2.395  -5.511
  116    H    VAL  15           H        VAL  15   3.154   1.194  -4.918
  117    HA   VAL  15           HA       VAL  15   4.151   3.268  -6.655
  118    HB   VAL  15           HB       VAL  15   2.822   4.885  -5.309
  119   1HG1  VAL  15          1HG2      VAL  15   2.729   3.675  -3.078
  120   2HG1  VAL  15          2HG2      VAL  15   4.412   4.156  -2.773
  121   3HG1  VAL  15          3HG2      VAL  15   3.129   5.377  -2.914
  122   1HG2  VAL  15          1HG1      VAL  15   5.784   5.376  -4.657
  123   2HG2  VAL  15          2HG1      VAL  15   5.023   5.700  -6.222
  124   3HG2  VAL  15          3HG1      VAL  15   4.502   6.597  -4.787
  125    H    GLY  16           H        GLY  16   4.644   1.752  -3.442
  126   1HA   GLY  16          1HA       GLY  16   6.772   0.397  -3.053
  127   2HA   GLY  16          2HA       GLY  16   7.679   1.554  -4.035
  128    H    SER  17           H        SER  17   5.440   1.518  -1.314
  129    HA   SER  17           HA       SER  17   5.262   2.834   0.705
  130   1HB   SER  17          2HB       SER  17   7.087   1.186   1.181
  131   2HB   SER  17          1HB       SER  17   8.304   2.318   0.549
  132    HG   SER  17           HG       SER  17   7.593   3.799   2.177
  133    H    ASN  18           H        ASN  18   4.738   4.938  -1.016
  134    HA   ASN  18           HA       ASN  18   6.730   7.116  -0.304
  135   1HB   ASN  18          1HB       ASN  18   5.732   6.862  -2.608
  136   2HB   ASN  18          2HB       ASN  18   4.121   7.061  -1.956
  137   1HD2  ASN  18          2HD2      ASN  18   6.892   8.759  -3.074
  138   2HD2  ASN  18          1HD2      ASN  18   6.150  10.418  -2.779
  139    H    LYS  19           H        LYS  19   3.248   6.519   0.208
  140    HA   LYS  19           HA       LYS  19   2.074   6.796   2.382
  141   1HB   LYS  19          2HB       LYS  19   2.237   8.580   3.883
  142   2HB   LYS  19          1HB       LYS  19   3.828   7.936   3.662
  143   1HG   LYS  19          1HG       LYS  19   4.349  10.204   3.750
  144   2HG   LYS  19          2HG       LYS  19   4.216  10.024   2.021
  145   1HD   LYS  19          1HD       LYS  19   1.677  10.848   2.336
  146   2HD   LYS  19          2HD       LYS  19   2.181  11.270   3.947
  147   1HE   LYS  19          1HE       LYS  19   2.377  13.281   2.604
  148   2HE   LYS  19          2HE       LYS  19   4.020  12.777   2.986
  149   1HZ   LYS  19          1HZ       LYS  19   2.614  12.116   0.383
  150   2HZ   LYS  19          2HZ       LYS  19   3.748  13.305   0.536
  151   3HZ   LYS  19          3HZ       LYS  19   4.157  11.722   0.722
  152    H    GLY  20           H        GLY  20   2.730   9.000  -0.258
  153   1HA   GLY  20          2HA       GLY  20  -0.260   9.830  -0.398
  154   2HA   GLY  20          1HA       GLY  20   1.043  10.790  -1.079
  155    H    ALA  21           H        ALA  21   2.254   8.056  -2.074
  156    HA   ALA  21           HA       ALA  21   2.312   6.908  -4.347
  157   1HB   ALA  21          1HB       ALA  21   0.375   5.683  -4.807
  158   2HB   ALA  21          2HB       ALA  21   0.508   5.709  -3.050
  159   3HB   ALA  21          3HB       ALA  21  -0.681   6.769  -3.862
  160    H    ILE  22           H        ILE  22   3.235   8.725  -4.930
  161    HA   ILE  22           HA       ILE  22   1.646  10.603  -6.768
  162    HB   ILE  22           HB       ILE  22   4.700  10.408  -6.417
  163   1HG1  ILE  22          1HG1      ILE  22   2.798  12.487  -5.126
  164   2HG1  ILE  22          2HG1      ILE  22   3.413  11.100  -4.263
  165   1HG2  ILE  22          1HG2      ILE  22   2.968  12.666  -7.675
  166   2HG2  ILE  22          2HG2      ILE  22   4.735  12.703  -7.482
  167   3HG2  ILE  22          3HG2      ILE  22   4.003  11.544  -8.584
  168   1HD1  ILE  22          1HD1      ILE  22   5.156  13.395  -5.341
  169   2HD1  ILE  22          2HD1      ILE  22   4.804  12.991  -3.651
  170   3HD1  ILE  22          3HD1      ILE  22   5.814  11.899  -4.632
  171    H    ILE  23           H        ILE  23   0.879   8.513  -7.478
  172    HA   ILE  23           HA       ILE  23   2.192   7.537 -10.040
  173    HB   ILE  23           HB       ILE  23   0.723   5.851  -7.948
  174   1HG1  ILE  23          1HG1      ILE  23   3.079   6.095  -7.448
  175   2HG1  ILE  23          2HG1      ILE  23   2.697   4.448  -7.883
  176   1HG2  ILE  23          1HG2      ILE  23  -0.178   5.048 -10.106
  177   2HG2  ILE  23          2HG2      ILE  23   1.456   4.895 -10.787
  178   3HG2  ILE  23          3HG2      ILE  23   0.939   3.846  -9.444
  179   1HD1  ILE  23          1HD1      ILE  23   3.775   4.813 -10.183
  180   2HD1  ILE  23          2HD1      ILE  23   4.199   6.474  -9.689
  181   3HD1  ILE  23          3HD1      ILE  23   4.900   5.084  -8.836
  182    H    GLY  24           H        GLY  24  -0.915   7.571  -8.243
  183   1HA   GLY  24          1HA       GLY  24  -2.415   9.356  -9.942
  184   2HA   GLY  24          2HA       GLY  24  -2.592   7.818 -10.753
  185    H    LEU  25           H        LEU  25  -2.868   9.029  -7.386
  186    HA   LEU  25           HA       LEU  25  -5.765   8.500  -7.189
  187   1HB   LEU  25          1HB       LEU  25  -5.814   6.648  -5.630
  188   2HB   LEU  25          2HB       LEU  25  -5.108   6.121  -7.103
  189    HG   LEU  25           HG       LEU  25  -3.461   6.727  -4.578
  190   1HD1  LEU  25          1HD1      LEU  25  -5.105   4.886  -4.149
  191   2HD1  LEU  25          2HD1      LEU  25  -4.502   3.996  -5.569
  192   3HD1  LEU  25          3HD1      LEU  25  -3.448   4.272  -4.165
  193   1HD2  LEU  25          1HD2      LEU  25  -1.916   6.720  -6.458
  194   2HD2  LEU  25          2HD2      LEU  25  -1.737   5.169  -5.636
  195   3HD2  LEU  25          3HD2      LEU  25  -2.641   5.247  -7.156
  196    H    MET  26           H        MET  26  -5.249   8.010  -4.095
  197    HA   MET  26           HA       MET  26  -5.496  10.852  -3.318
  198   1HB   MET  26          1HB       MET  26  -5.589   9.884  -1.005
  199   2HB   MET  26          2HB       MET  26  -6.697   9.154  -2.125
  200   1HG   MET  26          1HG       MET  26  -5.890   7.422  -0.663
  201   2HG   MET  26          2HG       MET  26  -5.217   7.060  -2.241
  202   1HE   MET  26          1HE       MET  26  -2.527   7.417  -2.796
  203   2HE   MET  26          2HE       MET  26  -3.017   5.856  -2.042
  204   3HE   MET  26          3HE       MET  26  -1.547   6.711  -1.520
  205    HXT  MET  26           HO        OH  27  -3.379  10.860  -4.622
  Start of MODEL   11
    1   1H    TYR   1          1H        TYR   1   4.877  -8.768  -3.792
    2   2H    TYR   1          2H        TYR   1   4.905  -9.898  -4.975
    3    HA   TYR   1           HA       TYR   1   5.535 -11.638  -3.343
    4   1HB   TYR   1          2HB       TYR   1   5.388 -11.127  -0.970
    5   2HB   TYR   1          1HB       TYR   1   6.584 -10.132  -1.716
    6    HD1  TYR   1           HD1      TYR   1   5.914  -7.597  -2.253
    7    HD2  TYR   1           HD2      TYR   1   3.762 -10.095   0.520
    8    HE1  TYR   1           HE1      TYR   1   5.048  -5.621  -1.135
    9    HE2  TYR   1           HE2      TYR   1   2.954  -8.085   1.680
   10    HH   TYR   1           HH       TYR   1   3.910  -4.840   0.595
   11    H    GLU   2           H        GLU   2   2.866  -9.339  -2.431
   12    HA   GLU   2           HA       GLU   2   0.846 -11.189  -3.695
   13   1HB   GLU   2          2HB       GLU   2   1.567 -11.915  -1.153
   14   2HB   GLU   2          1HB       GLU   2   0.474 -10.666  -0.656
   15   1HG   GLU   2          1HG       GLU   2  -0.220 -13.092  -2.472
   16   2HG   GLU   2          2HG       GLU   2  -0.408 -13.070  -0.735
   17    H    VAL   3           H        VAL   3  -0.438  -9.138  -1.273
   18    HA   VAL   3           HA       VAL   3  -1.619  -7.063  -1.277
   19    HB   VAL   3           HB       VAL   3   0.632  -6.353  -3.301
   20   1HG1  VAL   3          1HG2      VAL   3  -1.062  -4.587  -3.615
   21   2HG1  VAL   3          2HG2      VAL   3  -1.193  -4.329  -1.849
   22   3HG1  VAL   3          3HG2      VAL   3   0.303  -3.922  -2.728
   23   1HG2  VAL   3          1HG1      VAL   3   1.464  -6.958  -1.001
   24   2HG2  VAL   3          2HG1      VAL   3   1.769  -5.260  -1.364
   25   3HG2  VAL   3          3HG1      VAL   3   0.431  -5.712  -0.274
   26    H    HIS   4           H        HIS   4  -1.177  -8.107  -4.652
   27    HA   HIS   4           HA       HIS   4  -2.711  -8.055  -6.566
   28   1HB   HIS   4          1HB       HIS   4  -4.913  -7.531  -4.450
   29   2HB   HIS   4          2HB       HIS   4  -5.206  -7.780  -6.149
   30    HD1  HIS   4           HD1      HIS   4  -5.505 -10.354  -6.917
   31    HD2  HIS   4           HD2      HIS   4  -3.600  -9.717  -3.118
   32    HE1  HIS   4           HE1      HIS   4  -5.028 -12.635  -5.744
   33    HE2  HIS   4           HE2      HIS   4  -3.740 -12.262  -3.424
   34    H    HIS   5           H        HIS   5  -1.439  -6.369  -7.188
   35    HA   HIS   5           HA       HIS   5  -1.468  -3.709  -6.388
   36   1HB   HIS   5          2HB       HIS   5  -0.744  -5.097  -9.100
   37   2HB   HIS   5          1HB       HIS   5  -0.384  -3.411  -8.869
   38    HD1  HIS   5           HD1      HIS   5   1.668  -6.268  -8.776
   39    HD2  HIS   5           HD2      HIS   5   0.701  -3.119  -6.018
   40    HE1  HIS   5           HE1      HIS   5   3.540  -6.076  -6.966
   41    HE2  HIS   5           HE2      HIS   5   3.112  -4.268  -5.293
   42    H    GLN   6           H        GLN   6  -1.816  -1.885  -7.066
   43    HA   GLN   6           HA       GLN   6  -2.917   0.037  -7.676
   44   1HB   GLN   6          2HB       GLN   6  -3.760  -1.609 -10.170
   45   2HB   GLN   6          1HB       GLN   6  -4.051   0.103 -10.003
   46   1HG   GLN   6          2HG       GLN   6  -1.249  -1.192 -10.108
   47   2HG   GLN   6          1HG       GLN   6  -2.055  -0.349 -11.406
   48   1HE2  GLN   6          1HE2      GLN   6  -0.692   0.158  -8.183
   49   2HE2  GLN   6          2HE2      GLN   6  -0.318   1.934  -8.465
   50    H    LYS   7           H        LYS   7  -4.065  -0.311  -5.834
   51    HA   LYS   7           HA       LYS   7  -7.101  -0.285  -6.344
   52   1HB   LYS   7          2HB       LYS   7  -7.503  -2.109  -5.209
   53   2HB   LYS   7          1HB       LYS   7  -5.857  -2.533  -5.129
   54   1HG   LYS   7          1HG       LYS   7  -7.397  -0.959  -2.957
   55   2HG   LYS   7          2HG       LYS   7  -7.293  -2.696  -3.004
   56   1HD   LYS   7          2HD       LYS   7  -4.858  -0.840  -2.573
   57   2HD   LYS   7          1HD       LYS   7  -5.806  -1.594  -1.334
   58   1HE   LYS   7          2HE       LYS   7  -3.923  -2.966  -1.441
   59   2HE   LYS   7          1HE       LYS   7  -5.141  -3.919  -2.270
   60   1HZ   LYS   7          1HZ       LYS   7  -4.086  -3.456  -4.398
   61   2HZ   LYS   7          2HZ       LYS   7  -3.292  -2.098  -3.862
   62   3HZ   LYS   7          3HZ       LYS   7  -2.795  -3.593  -3.424
   63    H    LEU   8           H        LEU   8  -4.632   0.604  -3.948
   64    HA   LEU   8           HA       LEU   8  -5.475   3.435  -3.835
   65   1HB   LEU   8          2HB       LEU   8  -6.723   3.643  -1.788
   66   2HB   LEU   8          1HB       LEU   8  -7.504   2.390  -2.656
   67    HG   LEU   8           HG       LEU   8  -5.875   0.824  -1.003
   68   1HD1  LEU   8          1HD1      LEU   8  -5.963   1.757   1.321
   69   2HD1  LEU   8          2HD1      LEU   8  -4.876   2.673   0.287
   70   3HD1  LEU   8          3HD1      LEU   8  -6.480   3.333   0.669
   71   1HD2  LEU   8          1HD2      LEU   8  -8.398   0.624  -1.236
   72   2HD2  LEU   8          2HD2      LEU   8  -7.881   0.525   0.461
   73   3HD2  LEU   8          3HD2      LEU   8  -8.597   2.031  -0.161
   74    H    VAL   9           H        VAL   9  -3.236   1.030  -2.651
   75    HA   VAL   9           HA       VAL   9  -2.479   2.479  -0.256
   76    HB   VAL   9           HB       VAL   9  -0.550   0.487  -1.620
   77   1HG1  VAL   9          1HG2      VAL   9  -0.397  -0.074   1.052
   78   2HG1  VAL   9          2HG2      VAL   9   0.397   1.351   0.357
   79   3HG1  VAL   9          3HG2      VAL   9  -1.114   1.504   1.249
   80   1HG2  VAL   9          1HG1      VAL   9  -2.639  -0.793  -1.691
   81   2HG2  VAL   9          2HG1      VAL   9  -1.582  -1.432  -0.436
   82   3HG2  VAL   9          3HG1      VAL   9  -2.989  -0.425   0.023
   83    H    PHE  10           H        PHE  10  -1.068   3.589   0.289
   84    HA   PHE  10           HA       PHE  10   0.930   5.167  -1.389
   85   1HB   PHE  10          2HB       PHE  10   0.507   6.901   0.638
   86   2HB   PHE  10          1HB       PHE  10  -0.542   6.835  -0.719
   87    HD1  PHE  10           HD1      PHE  10  -0.513   6.403   2.970
   88    HD2  PHE  10           HD2      PHE  10  -2.786   5.861  -0.632
   89    HE1  PHE  10           HE1      PHE  10  -2.525   5.750   4.285
   90    HE2  PHE  10           HE2      PHE  10  -4.661   5.016   0.670
   91    HZ   PHE  10           HZ       PHE  10  -4.590   5.041   3.133
   92    H    PHE  11           H        PHE  11   0.472   3.395   1.687
   93    HA   PHE  11           HA       PHE  11   3.407   3.718   2.490
   94   1HB   PHE  11          1HB       PHE  11   2.603   2.779   4.648
   95   2HB   PHE  11          2HB       PHE  11   1.839   4.259   4.185
   96    HD1  PHE  11           HD1      PHE  11   1.058   0.497   3.781
   97    HD2  PHE  11           HD2      PHE  11  -0.394   4.394   4.878
   98    HE1  PHE  11           HE1      PHE  11  -1.172  -0.438   4.177
   99    HE2  PHE  11           HE2      PHE  11  -2.614   3.428   5.310
  100    HZ   PHE  11           HZ       PHE  11  -3.024   1.027   4.913
  101    H    ALA  12           H        ALA  12   2.378   1.676   0.279
  102    HA   ALA  12           HA       ALA  12   4.050  -0.685   1.317
  103   1HB   ALA  12          1HB       ALA  12   2.204  -2.288   0.983
  104   2HB   ALA  12          2HB       ALA  12   1.523  -0.954   1.959
  105   3HB   ALA  12          3HB       ALA  12   1.195  -1.070   0.208
  106    H    GLU  13           H        GLU  13   2.045  -1.536  -1.424
  107    HA   GLU  13           HA       GLU  13   4.402  -0.952  -3.289
  108   1HB   GLU  13          2HB       GLU  13   4.094  -3.434  -2.121
  109   2HB   GLU  13          1HB       GLU  13   2.907  -3.659  -3.385
  110   1HG   GLU  13          2HG       GLU  13   4.842  -3.080  -5.093
  111   2HG   GLU  13          1HG       GLU  13   5.906  -2.866  -3.720
  112    H    ASP  14           H        ASP  14   1.383  -0.140  -3.127
  113    HA   ASP  14           HA       ASP  14   0.714  -0.413  -6.135
  114   1HB   ASP  14          1HB       ASP  14  -0.768   1.043  -3.845
  115   2HB   ASP  14          2HB       ASP  14  -1.265   1.148  -5.508
  116    H    VAL  15           H        VAL  15   2.962   1.091  -4.853
  117    HA   VAL  15           HA       VAL  15   3.614   3.161  -6.762
  118    HB   VAL  15           HB       VAL  15   1.918   4.538  -5.571
  119   1HG1  VAL  15          1HG2      VAL  15   2.166   5.341  -3.230
  120   2HG1  VAL  15          2HG2      VAL  15   2.009   3.577  -3.241
  121   3HG1  VAL  15          3HG2      VAL  15   3.594   4.330  -2.971
  122   1HG2  VAL  15          1HG1      VAL  15   4.733   5.632  -4.942
  123   2HG2  VAL  15          2HG1      VAL  15   3.955   5.684  -6.532
  124   3HG2  VAL  15          3HG1      VAL  15   3.241   6.580  -5.183
  125    H    GLY  16           H        GLY  16   4.141   1.994  -3.417
  126   1HA   GLY  16          1HA       GLY  16   6.427   0.846  -2.999
  127   2HA   GLY  16          2HA       GLY  16   7.207   2.144  -3.871
  128    H    SER  17           H        SER  17   4.768   2.063  -1.189
  129    HA   SER  17           HA       SER  17   4.650   3.236   0.819
  130   1HB   SER  17          2HB       SER  17   6.193   1.227   1.178
  131   2HB   SER  17          1HB       SER  17   7.598   2.250   0.849
  132    HG   SER  17           HG       SER  17   6.811   3.605   2.600
  133    H    ASN  18           H        ASN  18   5.193   5.559  -1.158
  134    HA   ASN  18           HA       ASN  18   7.106   7.197   0.535
  135   1HB   ASN  18          2HB       ASN  18   6.584   8.890  -1.292
  136   2HB   ASN  18          1HB       ASN  18   7.420   7.443  -1.753
  137   1HD2  ASN  18          2HD2      ASN  18   3.987   6.915  -1.557
  138   2HD2  ASN  18          1HD2      ASN  18   3.867   6.849  -3.394
  139    H    LYS  19           H        LYS  19   3.769   6.470   0.924
  140    HA   LYS  19           HA       LYS  19   1.985   7.490   2.145
  141   1HB   LYS  19          1HB       LYS  19   2.600   8.511   4.287
  142   2HB   LYS  19          2HB       LYS  19   3.491   7.064   3.958
  143   1HG   LYS  19          1HG       LYS  19   4.926   8.534   5.152
  144   2HG   LYS  19          2HG       LYS  19   5.578   8.346   3.549
  145   1HD   LYS  19          1HD       LYS  19   4.352  10.651   2.991
  146   2HD   LYS  19          2HD       LYS  19   4.080  10.786   4.727
  147   1HE   LYS  19          2HE       LYS  19   6.660  10.554   5.035
  148   2HE   LYS  19          1HE       LYS  19   6.812  10.469   3.270
  149   1HZ   LYS  19          1HZ       LYS  19   5.751  12.713   3.121
  150   2HZ   LYS  19          2HZ       LYS  19   5.580  12.807   4.746
  151   3HZ   LYS  19          3HZ       LYS  19   7.085  12.824   4.077
  152    H    GLY  20           H        GLY  20   3.251   9.215   0.051
  153   1HA   GLY  20          2HA       GLY  20   1.337  11.614   0.259
  154   2HA   GLY  20          1HA       GLY  20   3.039  11.962  -0.082
  155    H    ALA  21           H        ALA  21   3.730   9.937  -1.712
  156    HA   ALA  21           HA       ALA  21   3.682   8.947  -3.988
  157   1HB   ALA  21          1HB       ALA  21   1.661   8.398  -4.936
  158   2HB   ALA  21          2HB       ALA  21   1.609   8.111  -3.197
  159   3HB   ALA  21          3HB       ALA  21   0.726   9.502  -3.868
  160    H    ILE  22           H        ILE  22   5.129  10.193  -4.392
  161    HA   ILE  22           HA       ILE  22   4.811  12.772  -5.927
  162    HB   ILE  22           HB       ILE  22   7.206  10.805  -5.773
  163   1HG1  ILE  22          1HG1      ILE  22   8.295  12.779  -4.434
  164   2HG1  ILE  22          2HG1      ILE  22   6.688  13.443  -4.237
  165   1HG2  ILE  22          1HG2      ILE  22   8.612  12.666  -6.711
  166   2HG2  ILE  22          2HG2      ILE  22   7.364  12.190  -7.859
  167   3HG2  ILE  22          3HG2      ILE  22   7.164  13.680  -6.915
  168   1HD1  ILE  22          1HD1      ILE  22   6.040  11.476  -2.815
  169   2HD1  ILE  22          2HD1      ILE  22   7.546  10.617  -3.255
  170   3HD1  ILE  22          3HD1      ILE  22   7.601  12.090  -2.260
  171    H    ILE  23           H        ILE  23   4.883   9.279  -6.727
  172    HA   ILE  23           HA       ILE  23   3.981   9.946  -9.552
  173    HB   ILE  23           HB       ILE  23   4.989   7.882 -10.391
  174   1HG1  ILE  23          1HG1      ILE  23   5.238   6.327  -8.579
  175   2HG1  ILE  23          2HG1      ILE  23   6.749   6.571  -9.398
  176   1HG2  ILE  23          1HG2      ILE  23   7.146   9.713  -9.214
  177   2HG2  ILE  23          2HG2      ILE  23   7.325   8.638 -10.620
  178   3HG2  ILE  23          3HG2      ILE  23   6.206  10.014 -10.689
  179   1HD1  ILE  23          1HD1      ILE  23   6.035   7.618  -6.582
  180   2HD1  ILE  23          2HD1      ILE  23   7.216   6.376  -7.015
  181   3HD1  ILE  23          3HD1      ILE  23   7.532   8.074  -7.440
  182    H    GLY  24           H        GLY  24   2.019  10.133  -8.438
  183   1HA   GLY  24          1HA       GLY  24   0.123   8.012  -8.843
  184   2HA   GLY  24          2HA       GLY  24   0.637   7.786  -7.178
  185    H    LEU  25           H        LEU  25   0.826  10.345  -6.216
  186    HA   LEU  25           HA       LEU  25  -0.390  12.063  -5.173
  187   1HB   LEU  25          1HB       LEU  25  -0.346  12.787  -7.626
  188   2HB   LEU  25          2HB       LEU  25  -1.942  12.131  -7.855
  189    HG   LEU  25           HG       LEU  25  -1.720  14.622  -7.645
  190   1HD1  LEU  25          1HD1      LEU  25  -3.784  15.031  -6.409
  191   2HD1  LEU  25          2HD1      LEU  25  -3.936  13.492  -7.280
  192   3HD1  LEU  25          3HD1      LEU  25  -3.645  13.494  -5.528
  193   1HD2  LEU  25          1HD2      LEU  25  -1.463  15.759  -5.476
  194   2HD2  LEU  25          2HD2      LEU  25  -1.283  14.214  -4.620
  195   3HD2  LEU  25          3HD2      LEU  25  -0.033  14.749  -5.771
  196    H    MET  26           H        MET  26  -1.199  10.793  -3.539
  197    HA   MET  26           HA       MET  26  -4.162  10.803  -3.275
  198   1HB   MET  26          1HB       MET  26  -4.557   8.434  -2.840
  199   2HB   MET  26          2HB       MET  26  -4.029   8.659  -4.482
  200   1HG   MET  26          1HG       MET  26  -2.138   7.604  -2.275
  201   2HG   MET  26          2HG       MET  26  -3.151   6.566  -3.283
  202   1HE   MET  26          1HE       MET  26   0.044   6.549  -2.953
  203   2HE   MET  26          2HE       MET  26   0.584   6.239  -4.619
  204   3HE   MET  26          3HE       MET  26  -0.790   5.322  -3.943
  205    HXT  MET  26           HO        OH  27  -1.578  10.035  -0.288
  Start of MODEL   12
    1   1H    TYR   1          1H        TYR   1  -6.169 -10.081   5.003
    2   2H    TYR   1          2H        TYR   1  -4.628 -10.530   5.291
    3    HA   TYR   1           HA       TYR   1  -5.618  -9.198   7.096
    4   1HB   TYR   1          2HB       TYR   1  -3.564  -8.104   7.530
    5   2HB   TYR   1          1HB       TYR   1  -3.121  -9.498   6.624
    6    HD1  TYR   1           HD1      TYR   1  -2.857  -8.965   3.864
    7    HD2  TYR   1           HD2      TYR   1  -2.369  -6.126   7.065
    8    HE1  TYR   1           HE1      TYR   1  -1.490  -7.543   2.407
    9    HE2  TYR   1           HE2      TYR   1  -1.001  -4.716   5.589
   10    HH   TYR   1           HH       TYR   1  -0.328  -5.664   2.239
   11    H    GLU   2           H        GLU   2  -4.509  -6.247   6.073
   12    HA   GLU   2           HA       GLU   2  -7.310  -5.093   5.900
   13   1HB   GLU   2          2HB       GLU   2  -5.552  -4.207   7.488
   14   2HB   GLU   2          1HB       GLU   2  -4.499  -3.832   6.134
   15   1HG   GLU   2          2HG       GLU   2  -6.442  -2.211   5.299
   16   2HG   GLU   2          1HG       GLU   2  -7.156  -2.449   6.891
   17    H    VAL   3           H        VAL   3  -4.379  -4.262   4.064
   18    HA   VAL   3           HA       VAL   3  -6.103  -3.535   1.655
   19    HB   VAL   3           HB       VAL   3  -4.061  -2.571   0.653
   20   1HG1  VAL   3          1HG2      VAL   3  -3.955  -0.565   2.094
   21   2HG1  VAL   3          2HG2      VAL   3  -5.617  -1.203   2.104
   22   3HG1  VAL   3          3HG2      VAL   3  -4.561  -1.476   3.495
   23   1HG2  VAL   3          1HG1      VAL   3  -2.155  -3.836   1.654
   24   2HG2  VAL   3          2HG1      VAL   3  -1.980  -2.105   1.944
   25   3HG2  VAL   3          3HG1      VAL   3  -2.520  -3.175   3.259
   26    H    HIS   4           H        HIS   4  -6.651  -5.159   0.413
   27    HA   HIS   4           HA       HIS   4  -4.735  -7.456  -0.232
   28   1HB   HIS   4          2HB       HIS   4  -7.752  -7.029  -0.812
   29   2HB   HIS   4          1HB       HIS   4  -6.842  -8.399  -1.368
   30    HD1  HIS   4           HD1      HIS   4  -6.855 -10.501   0.182
   31    HD2  HIS   4           HD2      HIS   4  -7.689  -6.786   2.171
   32    HE1  HIS   4           HE1      HIS   4  -7.488 -10.935   2.662
   33    HE2  HIS   4           HE2      HIS   4  -7.962  -8.709   3.948
   34    H    HIS   5           H        HIS   5  -3.681  -5.239  -1.197
   35    HA   HIS   5           HA       HIS   5  -3.385  -3.759  -2.951
   36   1HB   HIS   5          2HB       HIS   5  -1.666  -5.772  -2.585
   37   2HB   HIS   5          1HB       HIS   5  -2.353  -6.500  -4.026
   38    HD1  HIS   5           HD1      HIS   5   0.175  -6.190  -5.245
   39    HD2  HIS   5           HD2      HIS   5  -1.833  -2.653  -3.867
   40    HE1  HIS   5           HE1      HIS   5   1.227  -4.120  -6.335
   41    HE2  HIS   5           HE2      HIS   5  -0.032  -1.916  -5.679
   42    H    GLN   6           H        GLN   6  -4.981  -2.855  -4.012
   43    HA   GLN   6           HA       GLN   6  -5.725  -3.951  -6.753
   44   1HB   GLN   6          2HB       GLN   6  -8.004  -3.077  -6.477
   45   2HB   GLN   6          1HB       GLN   6  -7.643  -4.362  -5.380
   46   1HG   GLN   6          2HG       GLN   6  -8.292  -3.191  -3.578
   47   2HG   GLN   6          1HG       GLN   6  -7.155  -1.913  -3.842
   48   1HE2  GLN   6          1HE2      GLN   6  -8.018  -0.448  -5.901
   49   2HE2  GLN   6          2HE2      GLN   6  -9.747   0.087  -5.555
   50    H    LYS   7           H        LYS   7  -6.229  -0.853  -5.077
   51    HA   LYS   7           HA       LYS   7  -4.095   0.614  -6.355
   52   1HB   LYS   7          2HB       LYS   7  -5.612   0.159  -8.479
   53   2HB   LYS   7          1HB       LYS   7  -6.773   1.238  -7.769
   54   1HG   LYS   7          1HG       LYS   7  -5.318   2.348  -9.478
   55   2HG   LYS   7          2HG       LYS   7  -5.225   3.133  -7.923
   56   1HD   LYS   7          1HD       LYS   7  -3.043   3.112  -8.931
   57   2HD   LYS   7          2HD       LYS   7  -2.958   2.191  -7.465
   58   1HE   LYS   7          2HE       LYS   7  -3.211   0.898 -10.284
   59   2HE   LYS   7          1HE       LYS   7  -1.670   1.347  -9.566
   60   1HZ   LYS   7          1HZ       LYS   7  -3.545  -0.715  -8.352
   61   2HZ   LYS   7          2HZ       LYS   7  -2.083  -1.012  -9.033
   62   3HZ   LYS   7          3HZ       LYS   7  -2.207  -0.229  -7.593
   63    H    LEU   8           H        LEU   8  -4.086   1.076  -4.195
   64    HA   LEU   8           HA       LEU   8  -5.386   3.672  -3.402
   65   1HB   LEU   8          1HB       LEU   8  -6.859   2.964  -1.685
   66   2HB   LEU   8          2HB       LEU   8  -7.169   1.795  -2.906
   67    HG   LEU   8           HG       LEU   8  -5.349   0.306  -1.448
   68   1HD1  LEU   8          1HD1      LEU   8  -5.927   0.722   1.069
   69   2HD1  LEU   8          2HD1      LEU   8  -4.801   1.842   0.346
   70   3HD1  LEU   8          3HD1      LEU   8  -6.501   2.324   0.586
   71   1HD2  LEU   8          1HD2      LEU   8  -7.736  -0.390  -1.889
   72   2HD2  LEU   8          2HD2      LEU   8  -7.204  -0.760  -0.235
   73   3HD2  LEU   8          3HD2      LEU   8  -8.269   0.635  -0.521
   74    H    VAL   9           H        VAL   9  -2.930   1.309  -2.841
   75    HA   VAL   9           HA       VAL   9  -2.339   1.953  -0.059
   76    HB   VAL   9           HB       VAL   9  -0.758   0.396  -2.205
   77   1HG1  VAL   9          1HG2      VAL   9  -0.522   0.312   0.882
   78   2HG1  VAL   9          2HG2      VAL   9   0.253  -0.800  -0.287
   79   3HG1  VAL   9          3HG2      VAL   9   0.688   0.915  -0.286
   80   1HG2  VAL   9          1HG1      VAL   9  -3.008  -0.694  -1.833
   81   2HG2  VAL   9          2HG1      VAL   9  -1.721  -1.691  -1.157
   82   3HG2  VAL   9          3HG1      VAL   9  -2.737  -0.691  -0.080
   83    H    PHE  10           H        PHE  10  -1.193   3.126   0.816
   84    HA   PHE  10           HA       PHE  10   0.649   5.271  -0.311
   85   1HB   PHE  10          1HB       PHE  10   0.097   6.152   2.242
   86   2HB   PHE  10          2HB       PHE  10  -0.922   6.505   0.887
   87    HD1  PHE  10           HD1      PHE  10  -0.942   5.067   4.250
   88    HD2  PHE  10           HD2      PHE  10  -3.044   5.224   0.521
   89    HE1  PHE  10           HE1      PHE  10  -2.838   3.795   5.226
   90    HE2  PHE  10           HE2      PHE  10  -4.779   3.771   1.439
   91    HZ   PHE  10           HZ       PHE  10  -4.759   3.123   3.802
   92    H    PHE  11           H        PHE  11   0.458   3.152   2.614
   93    HA   PHE  11           HA       PHE  11   3.369   3.466   3.220
   94   1HB   PHE  11          1HB       PHE  11   2.850   1.792   5.039
   95   2HB   PHE  11          2HB       PHE  11   1.800   3.162   5.043
   96    HD1  PHE  11           HD1      PHE  11   1.883  -0.485   3.954
   97    HD2  PHE  11           HD2      PHE  11  -0.534   2.790   5.270
   98    HE1  PHE  11           HE1      PHE  11  -0.132  -1.910   3.798
   99    HE2  PHE  11           HE2      PHE  11  -2.541   1.364   5.127
  100    HZ   PHE  11           HZ       PHE  11  -2.378  -0.931   4.294
  101    H    ALA  12           H        ALA  12   1.953   1.336   0.887
  102    HA   ALA  12           HA       ALA  12   4.502  -0.414   0.978
  103   1HB   ALA  12          1HB       ALA  12   2.834  -2.407   0.786
  104   2HB   ALA  12          2HB       ALA  12   2.889  -1.535   2.337
  105   3HB   ALA  12          3HB       ALA  12   1.542  -1.274   1.225
  106    H    GLU  13           H        GLU  13   1.987  -1.667  -1.139
  107    HA   GLU  13           HA       GLU  13   4.048  -1.200  -3.347
  108   1HB   GLU  13          2HB       GLU  13   3.150  -3.569  -2.149
  109   2HB   GLU  13          1HB       GLU  13   1.892  -3.398  -3.351
  110   1HG   GLU  13          1HG       GLU  13   3.972  -3.213  -5.074
  111   2HG   GLU  13          2HG       GLU  13   4.956  -3.678  -3.700
  112    H    ASP  14           H        ASP  14   1.286   0.315  -3.107
  113    HA   ASP  14           HA       ASP  14   0.692   0.125  -6.158
  114   1HB   ASP  14          1HB       ASP  14  -0.700   1.763  -3.931
  115   2HB   ASP  14          2HB       ASP  14  -0.971   2.106  -5.611
  116    H    VAL  15           H        VAL  15   3.002   1.345  -4.602
  117    HA   VAL  15           HA       VAL  15   4.156   3.051  -6.664
  118    HB   VAL  15           HB       VAL  15   2.515   4.722  -5.764
  119   1HG1  VAL  15          1HG2      VAL  15   2.300   4.103  -3.375
  120   2HG1  VAL  15          2HG2      VAL  15   3.964   4.636  -3.061
  121   3HG1  VAL  15          3HG2      VAL  15   2.713   5.816  -3.534
  122   1HG2  VAL  15          1HG1      VAL  15   5.385   5.638  -5.165
  123   2HG2  VAL  15          2HG1      VAL  15   4.637   5.558  -6.774
  124   3HG2  VAL  15          3HG1      VAL  15   4.003   6.673  -5.557
  125    H    GLY  16           H        GLY  16   4.505   1.611  -3.384
  126   1HA   GLY  16          1HA       GLY  16   6.734   0.642  -2.768
  127   2HA   GLY  16          2HA       GLY  16   7.560   1.841  -3.750
  128    H    SER  17           H        SER  17   5.319   1.601  -1.100
  129    HA   SER  17           HA       SER  17   4.865   2.960   0.859
  130   1HB   SER  17          2HB       SER  17   7.960   2.674   0.877
  131   2HB   SER  17          1HB       SER  17   7.042   3.230   2.270
  132    HG   SER  17           HG       SER  17   5.836   1.251   2.226
  133    H    ASN  18           H        ASN  18   4.894   4.785  -1.484
  134    HA   ASN  18           HA       ASN  18   5.918   7.350  -0.157
  135   1HB   ASN  18          1HB       ASN  18   6.573   6.659  -2.553
  136   2HB   ASN  18          2HB       ASN  18   4.905   6.954  -3.023
  137   1HD2  ASN  18          2HD2      ASN  18   7.158   8.327  -4.032
  138   2HD2  ASN  18          1HD2      ASN  18   6.978  10.080  -3.500
  139    H    LYS  19           H        LYS  19   4.495   7.494   1.374
  140    HA   LYS  19           HA       LYS  19   1.559   7.328   1.206
  141   1HB   LYS  19          2HB       LYS  19   1.710   8.260   3.573
  142   2HB   LYS  19          1HB       LYS  19   2.562   6.789   3.259
  143   1HG   LYS  19          1HG       LYS  19   3.822   8.057   4.818
  144   2HG   LYS  19          2HG       LYS  19   4.796   7.917   3.389
  145   1HD   LYS  19          1HD       LYS  19   3.075  10.406   3.988
  146   2HD   LYS  19          2HD       LYS  19   4.635  10.210   4.738
  147   1HE   LYS  19          1HE       LYS  19   5.915  10.558   2.791
  148   2HE   LYS  19          2HE       LYS  19   4.700   9.908   1.706
  149   1HZ   LYS  19          1HZ       LYS  19   4.374  12.553   3.109
  150   2HZ   LYS  19          2HZ       LYS  19   4.725  12.362   1.501
  151   3HZ   LYS  19          3HZ       LYS  19   3.279  11.842   2.104
  152    H    GLY  20           H        GLY  20   1.579   8.585  -0.670
  153   1HA   GLY  20          2HA       GLY  20  -0.125  10.838  -0.631
  154   2HA   GLY  20          1HA       GLY  20   1.429  11.615  -0.472
  155    H    ALA  21           H        ALA  21   1.723   8.841  -2.533
  156    HA   ALA  21           HA       ALA  21   1.705  10.715  -4.997
  157   1HB   ALA  21          1HB       ALA  21   3.909  10.085  -4.034
  158   2HB   ALA  21          2HB       ALA  21   3.501   8.355  -4.115
  159   3HB   ALA  21          3HB       ALA  21   3.699   9.305  -5.615
  160    H    ILE  22           H        ILE  22   2.248   7.382  -5.626
  161    HA   ILE  22           HA       ILE  22   1.156   5.820  -7.097
  162    HB   ILE  22           HB       ILE  22  -1.460   7.200  -6.193
  163   1HG1  ILE  22          1HG1      ILE  22  -0.389   4.370  -5.555
  164   2HG1  ILE  22          2HG1      ILE  22  -0.095   5.731  -4.517
  165   1HG2  ILE  22          1HG2      ILE  22  -2.685   5.296  -7.305
  166   2HG2  ILE  22          2HG2      ILE  22  -1.798   6.226  -8.510
  167   3HG2  ILE  22          3HG2      ILE  22  -1.151   4.665  -7.954
  168   1HD1  ILE  22          1HD1      ILE  22  -2.889   4.570  -5.155
  169   2HD1  ILE  22          2HD1      ILE  22  -2.010   4.503  -3.620
  170   3HD1  ILE  22          3HD1      ILE  22  -2.622   6.062  -4.214
  171    H    ILE  23           H        ILE  23  -0.744   8.740  -7.684
  172    HA   ILE  23           HA       ILE  23   0.798   9.311 -10.262
  173    HB   ILE  23           HB       ILE  23  -1.284   7.928 -10.776
  174   1HG1  ILE  23          2HG1      ILE  23  -2.218   9.282 -12.637
  175   2HG1  ILE  23          1HG1      ILE  23  -1.435  10.728 -12.031
  176   1HG2  ILE  23          1HG2      ILE  23  -2.896   8.803  -9.051
  177   2HG2  ILE  23          2HG2      ILE  23  -2.971  10.366  -9.895
  178   3HG2  ILE  23          3HG2      ILE  23  -3.577   8.890 -10.681
  179   1HD1  ILE  23          1HD1      ILE  23   0.835   9.724 -12.506
  180   2HD1  ILE  23          2HD1      ILE  23   0.074   8.179 -12.975
  181   3HD1  ILE  23          3HD1      ILE  23  -0.188   9.645 -13.950
  182    H    GLY  24           H        GLY  24  -0.625  10.643  -7.418
  183   1HA   GLY  24          1HA       GLY  24   0.198  13.006  -6.825
  184   2HA   GLY  24          2HA       GLY  24  -0.107  13.511  -8.472
  185    H    LEU  25           H        LEU  25  -1.862  12.088  -5.719
  186    HA   LEU  25           HA       LEU  25  -4.002  14.231  -5.902
  187   1HB   LEU  25          1HB       LEU  25  -4.622  12.319  -7.534
  188   2HB   LEU  25          2HB       LEU  25  -4.758  11.229  -6.187
  189    HG   LEU  25           HG       LEU  25  -6.905  12.001  -7.090
  190   1HD1  LEU  25          1HD1      LEU  25  -8.133  12.508  -5.046
  191   2HD1  LEU  25          2HD1      LEU  25  -6.827  11.377  -4.640
  192   3HD1  LEU  25          3HD1      LEU  25  -6.681  13.103  -4.224
  193   1HD2  LEU  25          1HD2      LEU  25  -6.244  14.322  -7.820
  194   2HD2  LEU  25          2HD2      LEU  25  -7.763  14.302  -6.900
  195   3HD2  LEU  25          3HD2      LEU  25  -6.265  14.858  -6.122
  196    H    MET  26           H        MET  26  -3.415  11.054  -4.222
  197    HA   MET  26           HA       MET  26  -4.705  11.946  -1.718
  198   1HB   MET  26          1HB       MET  26  -3.834   9.842  -0.784
  199   2HB   MET  26          2HB       MET  26  -4.558   9.566  -2.342
  200   1HG   MET  26          1HG       MET  26  -2.273   9.262  -3.396
  201   2HG   MET  26          2HG       MET  26  -1.509   9.681  -1.857
  202   1HE   MET  26          1HE       MET  26  -0.177   7.365  -1.226
  203   2HE   MET  26          2HE       MET  26  -0.463   7.350  -2.993
  204   3HE   MET  26          3HE       MET  26  -0.794   5.896  -2.024
  205    HXT  MET  26           HO        OH  27  -1.366  12.070  -2.718
  Start of MODEL   13
    1   1H    TYR   1          1H        TYR   1  -0.709 -13.168   2.249
    2   2H    TYR   1          2H        TYR   1  -0.054 -14.035   1.033
    3    HA   TYR   1           HA       TYR   1   0.237 -11.096   1.374
    4   1HB   TYR   1          1HB       TYR   1   2.229 -12.334   0.370
    5   2HB   TYR   1          2HB       TYR   1   1.201 -13.018  -0.858
    6    HD1  TYR   1           HD1      TYR   1   0.315 -11.559  -2.724
    7    HD2  TYR   1           HD2      TYR   1   2.928  -9.934   0.284
    8    HE1  TYR   1           HE1      TYR   1   0.729  -9.586  -4.135
    9    HE2  TYR   1           HE2      TYR   1   3.353  -7.981  -1.160
   10    HH   TYR   1           HH       TYR   1   3.066  -7.040  -3.221
   11    H    GLU   2           H        GLU   2  -1.861 -10.483   1.310
   12    HA   GLU   2           HA       GLU   2  -3.691 -11.459  -0.988
   13   1HB   GLU   2          1HB       GLU   2  -4.223 -11.975   1.543
   14   2HB   GLU   2          2HB       GLU   2  -4.484 -10.254   1.741
   15   1HG   GLU   2          2HG       GLU   2  -6.638 -11.300   1.464
   16   2HG   GLU   2          1HG       GLU   2  -6.374 -10.428  -0.033
   17    H    VAL   3           H        VAL   3  -1.786  -9.452  -1.557
   18    HA   VAL   3           HA       VAL   3  -3.282  -6.777  -1.524
   19    HB   VAL   3           HB       VAL   3  -0.448  -7.326  -2.598
   20   1HG1  VAL   3          1HG2      VAL   3  -0.126  -4.857  -2.429
   21   2HG1  VAL   3          2HG2      VAL   3  -1.455  -5.223  -3.532
   22   3HG1  VAL   3          3HG2      VAL   3  -1.809  -4.638  -1.890
   23   1HG2  VAL   3          1HG1      VAL   3  -1.213  -6.173   0.178
   24   2HG2  VAL   3          2HG1      VAL   3  -0.435  -7.745  -0.117
   25   3HG2  VAL   3          3HG1      VAL   3   0.434  -6.258  -0.502
   26    H    HIS   4           H        HIS   4  -4.820  -6.813  -3.055
   27    HA   HIS   4           HA       HIS   4  -4.323  -7.945  -5.850
   28   1HB   HIS   4          2HB       HIS   4  -6.881  -6.892  -4.467
   29   2HB   HIS   4          1HB       HIS   4  -6.814  -7.414  -6.125
   30    HD1  HIS   4           HD1      HIS   4  -7.068 -10.028  -6.610
   31    HD2  HIS   4           HD2      HIS   4  -6.279  -8.963  -2.520
   32    HE1  HIS   4           HE1      HIS   4  -7.236 -12.127  -5.077
   33    HE2  HIS   4           HE2      HIS   4  -6.725 -11.591  -2.582
   34    H    HIS   5           H        HIS   5  -2.668  -6.421  -6.052
   35    HA   HIS   5           HA       HIS   5  -2.237  -3.840  -5.998
   36   1HB   HIS   5          2HB       HIS   5  -1.801  -5.819  -8.374
   37   2HB   HIS   5          1HB       HIS   5  -1.147  -4.220  -8.508
   38    HD1  HIS   5           HD1      HIS   5   0.276  -7.360  -7.660
   39    HD2  HIS   5           HD2      HIS   5   0.129  -3.496  -5.799
   40    HE1  HIS   5           HE1      HIS   5   2.354  -7.024  -6.111
   41    HE2  HIS   5           HE2      HIS   5   2.414  -4.754  -5.030
   42    H    GLN   6           H        GLN   6  -2.220  -2.028  -6.855
   43    HA   GLN   6           HA       GLN   6  -2.962  -0.014  -7.736
   44   1HB   GLN   6          2HB       GLN   6  -3.879  -1.758 -10.131
   45   2HB   GLN   6          1HB       GLN   6  -3.933  -0.012 -10.129
   46   1HG   GLN   6          2HG       GLN   6  -1.339  -1.679  -9.871
   47   2HG   GLN   6          1HG       GLN   6  -1.927  -0.911 -11.324
   48   1HE2  GLN   6          1HE2      GLN   6  -0.760  -0.154  -8.057
   49   2HE2  GLN   6          2HE2      GLN   6  -0.106   1.496  -8.541
   50    H    LYS   7           H        LYS   7  -4.206  -0.168  -5.873
   51    HA   LYS   7           HA       LYS   7  -7.218   0.106  -6.466
   52   1HB   LYS   7          1HB       LYS   7  -6.205  -2.245  -5.297
   53   2HB   LYS   7          2HB       LYS   7  -6.300  -1.292  -3.868
   54   1HG   LYS   7          2HG       LYS   7  -8.429  -2.082  -3.732
   55   2HG   LYS   7          1HG       LYS   7  -8.858  -0.790  -4.819
   56   1HD   LYS   7          1HD       LYS   7  -8.372  -3.775  -5.460
   57   2HD   LYS   7          2HD       LYS   7  -9.847  -2.866  -5.584
   58   1HE   LYS   7          1HE       LYS   7  -9.403  -2.826  -7.826
   59   2HE   LYS   7          2HE       LYS   7  -8.468  -1.400  -7.446
   60   1HZ   LYS   7          1HZ       LYS   7  -6.792  -3.746  -7.046
   61   2HZ   LYS   7          2HZ       LYS   7  -7.451  -3.820  -8.550
   62   3HZ   LYS   7          3HZ       LYS   7  -6.586  -2.503  -8.093
   63    H    LEU   8           H        LEU   8  -5.064   0.450  -3.720
   64    HA   LEU   8           HA       LEU   8  -5.777   3.400  -3.381
   65   1HB   LEU   8          2HB       LEU   8  -6.907   3.230  -1.278
   66   2HB   LEU   8          1HB       LEU   8  -7.628   1.995  -2.241
   67    HG   LEU   8           HG       LEU   8  -5.764   0.413  -0.919
   68   1HD1  LEU   8          1HD1      LEU   8  -6.345   2.682   1.094
   69   2HD1  LEU   8          2HD1      LEU   8  -5.652   1.097   1.510
   70   3HD1  LEU   8          3HD1      LEU   8  -4.746   2.199   0.488
   71   1HD2  LEU   8          1HD2      LEU   8  -8.422   1.309   0.372
   72   2HD2  LEU   8          2HD2      LEU   8  -8.253   0.033  -0.871
   73   3HD2  LEU   8          3HD2      LEU   8  -7.522  -0.183   0.731
   74    H    VAL   9           H        VAL   9  -3.416   0.938  -2.775
   75    HA   VAL   9           HA       VAL   9  -2.313   1.974  -0.312
   76    HB   VAL   9           HB       VAL   9  -1.018   0.214  -2.487
   77   1HG1  VAL   9          1HG2      VAL   9   0.412  -0.637  -0.706
   78   2HG1  VAL   9          2HG2      VAL   9   0.708   1.088  -0.925
   79   3HG1  VAL   9          3HG2      VAL   9  -0.251   0.534   0.476
   80   1HG2  VAL   9          1HG1      VAL   9  -2.514  -0.683   0.063
   81   2HG2  VAL   9          2HG1      VAL   9  -3.076  -0.911  -1.614
   82   3HG2  VAL   9          3HG1      VAL   9  -1.625  -1.742  -1.065
   83    H    PHE  10           H        PHE  10  -1.106   3.289   0.193
   84    HA   PHE  10           HA       PHE  10   0.584   5.219  -1.482
   85   1HB   PHE  10          2HB       PHE  10   0.211   6.723   0.707
   86   2HB   PHE  10          1HB       PHE  10  -1.020   6.641  -0.487
   87    HD1  PHE  10           HD1      PHE  10  -0.319   5.812   3.091
   88    HD2  PHE  10           HD2      PHE  10  -3.143   5.545  -0.122
   89    HE1  PHE  10           HE1      PHE  10  -1.938   4.684   4.579
   90    HE2  PHE  10           HE2      PHE  10  -4.716   4.396   1.363
   91    HZ   PHE  10           HZ       PHE  10  -4.164   4.003   3.716
   92    H    PHE  11           H        PHE  11   0.377   3.744   1.717
   93    HA   PHE  11           HA       PHE  11   3.208   4.035   2.523
   94   1HB   PHE  11          2HB       PHE  11   2.398   2.993   4.535
   95   2HB   PHE  11          1HB       PHE  11   1.153   4.069   4.038
   96    HD1  PHE  11           HD1      PHE  11  -0.816   2.684   2.374
   97    HD2  PHE  11           HD2      PHE  11   1.674   0.956   5.438
   98    HE1  PHE  11           HE1      PHE  11  -2.423   0.899   2.662
   99    HE2  PHE  11           HE2      PHE  11   0.033  -0.809   5.740
  100    HZ   PHE  11           HZ       PHE  11  -2.060  -0.854   4.326
  101    H    ALA  12           H        ALA  12   1.924   1.580   0.465
  102    HA   ALA  12           HA       ALA  12   4.360  -0.209   1.111
  103   1HB   ALA  12          1HB       ALA  12   1.380  -1.039   1.067
  104   2HB   ALA  12          2HB       ALA  12   2.753  -2.155   1.162
  105   3HB   ALA  12          3HB       ALA  12   2.453  -0.956   2.459
  106    H    GLU  13           H        GLU  13   2.084  -1.726  -1.076
  107    HA   GLU  13           HA       GLU  13   4.237  -1.298  -3.209
  108   1HB   GLU  13          2HB       GLU  13   3.478  -3.624  -1.839
  109   2HB   GLU  13          1HB       GLU  13   2.293  -3.672  -3.126
  110   1HG   GLU  13          1HG       GLU  13   4.459  -3.472  -4.734
  111   2HG   GLU  13          2HG       GLU  13   5.398  -3.702  -3.271
  112    H    ASP  14           H        ASP  14   1.348  -0.032  -3.134
  113    HA   ASP  14           HA       ASP  14   0.928  -0.386  -6.195
  114   1HB   ASP  14          1HB       ASP  14  -0.787   1.301  -4.254
  115   2HB   ASP  14          2HB       ASP  14  -1.029   1.244  -5.956
  116    H    VAL  15           H        VAL  15   3.011   1.120  -4.576
  117    HA   VAL  15           HA       VAL  15   3.828   3.146  -6.567
  118    HB   VAL  15           HB       VAL  15   2.106   4.504  -5.369
  119   1HG1  VAL  15          1HG2      VAL  15   2.139   3.539  -3.056
  120   2HG1  VAL  15          2HG2      VAL  15   3.749   4.241  -2.761
  121   3HG1  VAL  15          3HG2      VAL  15   2.347   5.295  -3.018
  122   1HG2  VAL  15          1HG1      VAL  15   3.438   6.544  -4.898
  123   2HG2  VAL  15          2HG1      VAL  15   4.914   5.583  -4.706
  124   3HG2  VAL  15          3HG1      VAL  15   4.136   5.689  -6.292
  125    H    GLY  16           H        GLY  16   4.462   1.750  -3.309
  126   1HA   GLY  16          1HA       GLY  16   6.804   0.794  -2.909
  127   2HA   GLY  16          2HA       GLY  16   7.499   2.060  -3.900
  128    H    SER  17           H        SER  17   5.455   1.679  -1.123
  129    HA   SER  17           HA       SER  17   5.071   3.010   0.833
  130   1HB   SER  17          1HB       SER  17   8.047   2.125   0.798
  131   2HB   SER  17          2HB       SER  17   7.345   2.841   2.238
  132    HG   SER  17           HG       SER  17   5.670   1.256   2.184
  133    H    ASN  18           H        ASN  18   4.906   5.161  -0.896
  134    HA   ASN  18           HA       ASN  18   6.665   7.302   0.326
  135   1HB   ASN  18          1HB       ASN  18   4.408   7.245  -1.766
  136   2HB   ASN  18          2HB       ASN  18   5.024   8.753  -1.117
  137   1HD2  ASN  18          2HD2      ASN  18   7.376   9.192  -1.390
  138   2HD2  ASN  18          1HD2      ASN  18   8.092   8.561  -2.969
  139    H    LYS  19           H        LYS  19   3.483   5.931   1.013
  140    HA   LYS  19           HA       LYS  19   1.747   6.525   2.548
  141   1HB   LYS  19          2HB       LYS  19   2.364   6.939   4.752
  142   2HB   LYS  19          1HB       LYS  19   3.659   5.996   4.129
  143   1HG   LYS  19          1HG       LYS  19   5.267   7.637   4.470
  144   2HG   LYS  19          2HG       LYS  19   4.258   8.963   3.979
  145   1HD   LYS  19          1HD       LYS  19   3.935   7.566   6.711
  146   2HD   LYS  19          2HD       LYS  19   4.979   8.955   6.424
  147   1HE   LYS  19          1HE       LYS  19   2.969  10.311   5.579
  148   2HE   LYS  19          2HE       LYS  19   1.910   8.955   5.917
  149   1HZ   LYS  19          1HZ       LYS  19   1.968  10.517   7.849
  150   2HZ   LYS  19          2HZ       LYS  19   2.621   9.083   8.324
  151   3HZ   LYS  19          3HZ       LYS  19   3.597  10.359   7.999
  152    H    GLY  20           H        GLY  20   2.142   8.098   0.532
  153   1HA   GLY  20          1HA       GLY  20   0.233  10.328   0.811
  154   2HA   GLY  20          2HA       GLY  20   1.871  11.005   0.729
  155    H    ALA  21           H        ALA  21   3.006   9.080  -0.982
  156    HA   ALA  21           HA       ALA  21   3.413   8.522  -3.391
  157   1HB   ALA  21          1HB       ALA  21   0.395   8.755  -3.651
  158   2HB   ALA  21          2HB       ALA  21   1.544   7.870  -4.678
  159   3HB   ALA  21          3HB       ALA  21   1.274   7.321  -3.025
  160    H    ILE  22           H        ILE  22   4.617  10.233  -3.343
  161    HA   ILE  22           HA       ILE  22   3.580  12.774  -4.733
  162    HB   ILE  22           HB       ILE  22   6.514  12.129  -4.025
  163   1HG1  ILE  22          1HG1      ILE  22   6.042  13.991  -2.134
  164   2HG1  ILE  22          2HG1      ILE  22   4.376  13.472  -2.249
  165   1HG2  ILE  22          1HG2      ILE  22   5.112  14.837  -4.584
  166   2HG2  ILE  22          2HG2      ILE  22   6.837  14.604  -4.212
  167   3HG2  ILE  22          3HG2      ILE  22   6.176  13.984  -5.722
  168   1HD1  ILE  22          1HD1      ILE  22   5.071  11.155  -1.471
  169   2HD1  ILE  22          2HD1      ILE  22   6.791  11.626  -1.578
  170   3HD1  ILE  22          3HD1      ILE  22   5.721  12.384  -0.379
  171    H    ILE  23           H        ILE  23   2.910  10.705  -6.136
  172    HA   ILE  23           HA       ILE  23   4.791  10.526  -8.525
  173    HB   ILE  23           HB       ILE  23   4.491   8.375  -7.195
  174   1HG1  ILE  23          1HG1      ILE  23   4.141   6.875  -9.232
  175   2HG1  ILE  23          2HG1      ILE  23   3.752   8.302 -10.176
  176   1HG2  ILE  23          1HG2      ILE  23   1.687   8.100  -8.448
  177   2HG2  ILE  23          2HG2      ILE  23   2.528   6.932  -7.420
  178   3HG2  ILE  23          3HG2      ILE  23   1.988   8.478  -6.738
  179   1HD1  ILE  23          1HD1      ILE  23   6.162   7.558 -10.428
  180   2HD1  ILE  23          2HD1      ILE  23   6.103   9.201  -9.764
  181   3HD1  ILE  23          3HD1      ILE  23   6.446   7.818  -8.692
  182    H    GLY  24           H        GLY  24   1.344  10.413  -7.618
  183   1HA   GLY  24          1HA       GLY  24   0.144  12.494  -9.008
  184   2HA   GLY  24          2HA       GLY  24   0.494  11.466 -10.383
  185    H    LEU  25           H        LEU  25  -1.002  10.997  -7.137
  186    HA   LEU  25           HA       LEU  25  -3.608  10.225  -8.375
  187   1HB   LEU  25          1HB       LEU  25  -1.962   8.105  -8.475
  188   2HB   LEU  25          2HB       LEU  25  -2.216   7.962  -6.768
  189    HG   LEU  25           HG       LEU  25  -3.579   6.415  -8.049
  190   1HD1  LEU  25          1HD1      LEU  25  -5.533   8.488  -6.866
  191   2HD1  LEU  25          2HD1      LEU  25  -5.853   6.767  -7.163
  192   3HD1  LEU  25          3HD1      LEU  25  -4.665   7.244  -5.940
  193   1HD2  LEU  25          1HD2      LEU  25  -3.778   7.748 -10.190
  194   2HD2  LEU  25          2HD2      LEU  25  -5.316   7.022  -9.676
  195   3HD2  LEU  25          3HD2      LEU  25  -5.033   8.758  -9.434
  196    H    MET  26           H        MET  26  -2.022   9.509  -5.174
  197    HA   MET  26           HA       MET  26  -4.506  10.562  -3.774
  198   1HB   MET  26          1HB       MET  26  -1.877   9.416  -2.599
  199   2HB   MET  26          2HB       MET  26  -3.259   9.931  -1.665
  200   1HG   MET  26          1HG       MET  26  -3.486   7.562  -1.767
  201   2HG   MET  26          2HG       MET  26  -4.705   8.169  -2.888
  202   1HE   MET  26          1HE       MET  26  -1.582   5.667  -2.613
  203   2HE   MET  26          2HE       MET  26  -0.939   7.318  -2.614
  204   3HE   MET  26          3HE       MET  26  -0.612   6.236  -3.998
  205    HXT  MET  26           HO        OH  27  -1.096  11.262  -3.560
  Start of MODEL   14
    1   1H    TYR   1          1H        TYR   1  -3.800  -4.073  10.033
    2   2H    TYR   1          2H        TYR   1  -5.117  -4.431   9.126
    3    HA   TYR   1           HA       TYR   1  -3.339  -3.418   7.794
    4   1HB   TYR   1          2HB       TYR   1  -1.534  -4.450   9.297
    5   2HB   TYR   1          1HB       TYR   1  -1.857  -6.016   8.608
    6    HD1  TYR   1           HD1      TYR   1  -0.394  -2.647   7.962
    7    HD2  TYR   1           HD2      TYR   1  -1.066  -6.550   6.286
    8    HE1  TYR   1           HE1      TYR   1   1.254  -2.184   6.191
    9    HE2  TYR   1           HE2      TYR   1   0.571  -6.068   4.518
   10    HH   TYR   1           HH       TYR   1   2.072  -4.608   3.742
   11    H    GLU   2           H        GLU   2  -4.600  -3.573   6.037
   12    HA   GLU   2           HA       GLU   2  -4.752  -6.175   4.489
   13   1HB   GLU   2          2HB       GLU   2  -7.149  -5.978   4.062
   14   2HB   GLU   2          1HB       GLU   2  -6.805  -6.319   5.736
   15   1HG   GLU   2          2HG       GLU   2  -7.476  -4.058   6.458
   16   2HG   GLU   2          1HG       GLU   2  -7.586  -3.470   4.803
   17    H    VAL   3           H        VAL   3  -3.315  -5.256   3.177
   18    HA   VAL   3           HA       VAL   3  -3.512  -2.590   1.891
   19    HB   VAL   3           HB       VAL   3  -1.781  -3.543   0.243
   20   1HG1  VAL   3          1HG2      VAL   3   0.090  -3.553   1.879
   21   2HG1  VAL   3          2HG2      VAL   3  -1.076  -2.253   2.179
   22   3HG1  VAL   3          3HG2      VAL   3  -1.077  -3.697   3.217
   23   1HG2  VAL   3          1HG1      VAL   3  -2.259  -6.009   0.299
   24   2HG2  VAL   3          2HG1      VAL   3  -0.569  -5.629   0.667
   25   3HG2  VAL   3          3HG1      VAL   3  -1.674  -6.081   1.979
   26    H    HIS   4           H        HIS   4  -4.720  -5.735   0.674
   27    HA   HIS   4           HA       HIS   4  -6.273  -6.239  -1.105
   28   1HB   HIS   4          1HB       HIS   4  -6.664  -3.165  -1.397
   29   2HB   HIS   4          2HB       HIS   4  -7.528  -4.377  -2.282
   30    HD1  HIS   4           HD1      HIS   4  -9.907  -3.776  -1.452
   31    HD2  HIS   4           HD2      HIS   4  -7.094  -4.664   1.662
   32    HE1  HIS   4           HE1      HIS   4 -11.116  -3.917   0.846
   33    HE2  HIS   4           HE2      HIS   4  -9.490  -4.447   2.805
   34    H    HIS   5           H        HIS   5  -4.113  -3.506  -2.053
   35    HA   HIS   5           HA       HIS   5  -2.645  -3.193  -3.731
   36   1HB   HIS   5          1HB       HIS   5  -2.195  -5.826  -3.184
   37   2HB   HIS   5          2HB       HIS   5  -2.957  -6.126  -4.723
   38    HD1  HIS   5           HD1      HIS   5  -0.762  -6.843  -6.130
   39    HD2  HIS   5           HD2      HIS   5  -0.424  -3.246  -3.827
   40    HE1  HIS   5           HE1      HIS   5   1.533  -5.688  -6.611
   41    HE2  HIS   5           HE2      HIS   5   1.760  -3.438  -5.393
   42    H    GLN   6           H        GLN   6  -2.614  -2.283  -5.531
   43    HA   GLN   6           HA       GLN   6  -3.158  -1.282  -7.531
   44   1HB   GLN   6          1HB       GLN   6  -4.578  -3.952  -8.206
   45   2HB   GLN   6          2HB       GLN   6  -4.171  -2.701  -9.357
   46   1HG   GLN   6          1HG       GLN   6  -2.133  -4.395  -7.768
   47   2HG   GLN   6          2HG       GLN   6  -2.539  -4.564  -9.458
   48   1HE2  GLN   6          1HE2      GLN   6  -1.124  -2.105  -7.178
   49   2HE2  GLN   6          2HE2      GLN   6  -0.008  -1.473  -8.492
   50    H    LYS   7           H        LYS   7  -4.349  -0.214  -5.772
   51    HA   LYS   7           HA       LYS   7  -6.593   1.168  -6.988
   52   1HB   LYS   7          1HB       LYS   7  -7.968  -0.898  -6.572
   53   2HB   LYS   7          2HB       LYS   7  -7.547  -0.897  -4.882
   54   1HG   LYS   7          1HG       LYS   7  -9.872  -0.142  -5.291
   55   2HG   LYS   7          2HG       LYS   7  -8.945   1.101  -4.470
   56   1HD   LYS   7          1HD       LYS   7  -8.607   2.330  -6.646
   57   2HD   LYS   7          2HD       LYS   7  -9.499   1.117  -7.530
   58   1HE   LYS   7          1HE       LYS   7 -10.710   2.760  -5.172
   59   2HE   LYS   7          2HE       LYS   7 -10.677   3.378  -6.817
   60   1HZ   LYS   7          1HZ       LYS   7 -11.983   1.403  -7.565
   61   2HZ   LYS   7          2HZ       LYS   7 -12.007   0.775  -6.055
   62   3HZ   LYS   7          3HZ       LYS   7 -12.817   2.173  -6.375
   63    H    LEU   8           H        LEU   8  -5.942   0.249  -3.603
   64    HA   LEU   8           HA       LEU   8  -5.986   3.259  -2.868
   65   1HB   LEU   8          1HB       LEU   8  -7.045   2.689  -0.856
   66   2HB   LEU   8          2HB       LEU   8  -7.777   1.594  -1.959
   67    HG   LEU   8           HG       LEU   8  -5.774  -0.082  -0.943
   68   1HD1  LEU   8          1HD1      LEU   8  -6.435   1.818   1.402
   69   2HD1  LEU   8          2HD1      LEU   8  -5.621   0.240   1.545
   70   3HD1  LEU   8          3HD1      LEU   8  -4.832   1.555   0.693
   71   1HD2  LEU   8          1HD2      LEU   8  -8.248  -0.604  -0.917
   72   2HD2  LEU   8          2HD2      LEU   8  -7.461  -1.024   0.619
   73   3HD2  LEU   8          3HD2      LEU   8  -8.447   0.450   0.511
   74    H    VAL   9           H        VAL   9  -3.508   0.736  -2.742
   75    HA   VAL   9           HA       VAL   9  -2.449   1.552  -0.145
   76    HB   VAL   9           HB       VAL   9  -0.849   0.217  -2.419
   77   1HG1  VAL   9          1HG2      VAL   9   0.395  -0.830  -0.540
   78   2HG1  VAL   9          2HG2      VAL   9   0.560   0.926  -0.501
   79   3HG1  VAL   9          3HG2      VAL   9  -0.532   0.130   0.657
   80   1HG2  VAL   9          1HG1      VAL   9  -1.452  -1.996  -1.436
   81   2HG2  VAL   9          2HG1      VAL   9  -2.562  -1.202  -0.279
   82   3HG2  VAL   9          3HG1      VAL   9  -2.903  -1.185  -2.026
   83    H    PHE  10           H        PHE  10  -1.132   2.862   0.538
   84    HA   PHE  10           HA       PHE  10   0.400   4.947  -1.126
   85   1HB   PHE  10          1HB       PHE  10  -0.073   6.438   1.076
   86   2HB   PHE  10          2HB       PHE  10  -1.212   6.325  -0.208
   87    HD1  PHE  10           HD1      PHE  10  -0.729   5.480   3.406
   88    HD2  PHE  10           HD2      PHE  10  -3.332   5.235   0.016
   89    HE1  PHE  10           HE1      PHE  10  -2.464   4.343   4.770
   90    HE2  PHE  10           HE2      PHE  10  -4.941   3.932   1.348
   91    HZ   PHE  10           HZ       PHE  10  -4.559   3.557   3.740
   92    H    PHE  11           H        PHE  11   0.359   3.321   2.115
   93    HA   PHE  11           HA       PHE  11   3.277   3.890   2.607
   94   1HB   PHE  11          2HB       PHE  11   2.870   2.610   4.728
   95   2HB   PHE  11          1HB       PHE  11   1.756   3.910   4.497
   96    HD1  PHE  11           HD1      PHE  11   1.892   0.113   3.869
   97    HD2  PHE  11           HD2      PHE  11  -0.420   3.452   5.212
   98    HE1  PHE  11           HE1      PHE  11  -0.076  -1.341   4.079
   99    HE2  PHE  11           HE2      PHE  11  -2.386   2.000   5.436
  100    HZ   PHE  11           HZ       PHE  11  -2.264  -0.385   4.775
  101    H    ALA  12           H        ALA  12   1.964   1.489   0.607
  102    HA   ALA  12           HA       ALA  12   4.423  -0.326   1.078
  103   1HB   ALA  12          1HB       ALA  12   1.422  -1.032   1.252
  104   2HB   ALA  12          2HB       ALA  12   2.652  -2.263   0.905
  105   3HB   ALA  12          3HB       ALA  12   2.722  -1.304   2.402
  106    H    GLU  13           H        GLU  13   2.200  -1.852  -1.101
  107    HA   GLU  13           HA       GLU  13   4.289  -1.234  -3.253
  108   1HB   GLU  13          1HB       GLU  13   3.749  -3.617  -1.992
  109   2HB   GLU  13          2HB       GLU  13   2.440  -3.691  -3.138
  110   1HG   GLU  13          2HG       GLU  13   4.516  -3.196  -4.915
  111   2HG   GLU  13          1HG       GLU  13   5.497  -3.662  -3.545
  112    H    ASP  14           H        ASP  14   1.532   0.191  -3.141
  113    HA   ASP  14           HA       ASP  14   0.924  -0.237  -6.174
  114   1HB   ASP  14          2HB       ASP  14  -0.607   1.496  -4.136
  115   2HB   ASP  14          1HB       ASP  14  -0.909   1.532  -5.844
  116    H    VAL  15           H        VAL  15   3.149   1.154  -4.648
  117    HA   VAL  15           HA       VAL  15   4.173   2.976  -6.676
  118    HB   VAL  15           HB       VAL  15   2.463   4.537  -5.698
  119   1HG1  VAL  15          1HG2      VAL  15   2.710   5.598  -3.439
  120   2HG1  VAL  15          2HG2      VAL  15   2.394   3.861  -3.285
  121   3HG1  VAL  15          3HG2      VAL  15   4.041   4.485  -3.039
  122   1HG2  VAL  15          1HG1      VAL  15   3.804   6.532  -5.592
  123   2HG2  VAL  15          2HG1      VAL  15   5.264   5.637  -5.085
  124   3HG2  VAL  15          3HG1      VAL  15   4.597   5.427  -6.715
  125    H    GLY  16           H        GLY  16   4.557   1.642  -3.347
  126   1HA   GLY  16          1HA       GLY  16   6.802   0.699  -2.714
  127   2HA   GLY  16          2HA       GLY  16   7.615   1.878  -3.729
  128    H    SER  17           H        SER  17   5.317   1.757  -1.103
  129    HA   SER  17           HA       SER  17   4.855   3.230   0.765
  130   1HB   SER  17          2HB       SER  17   7.905   2.646   0.970
  131   2HB   SER  17          1HB       SER  17   6.937   3.218   2.321
  132    HG   SER  17           HG       SER  17   5.631   1.342   2.168
  133    H    ASN  18           H        ASN  18   4.818   5.220  -1.349
  134    HA   ASN  18           HA       ASN  18   6.644   7.381  -0.401
  135   1HB   ASN  18          1HB       ASN  18   5.841   6.686  -2.855
  136   2HB   ASN  18          2HB       ASN  18   4.326   7.444  -2.420
  137   1HD2  ASN  18          2HD2      ASN  18   7.726   7.962  -3.142
  138   2HD2  ASN  18          1HD2      ASN  18   7.557   9.789  -3.270
  139    H    LYS  19           H        LYS  19   3.325   6.431   0.413
  140    HA   LYS  19           HA       LYS  19   1.642   7.515   1.770
  141   1HB   LYS  19          1HB       LYS  19   2.342   8.060   3.888
  142   2HB   LYS  19          2HB       LYS  19   3.626   7.046   3.366
  143   1HG   LYS  19          1HG       LYS  19   4.465   9.831   2.820
  144   2HG   LYS  19          2HG       LYS  19   3.608   9.857   4.318
  145   1HD   LYS  19          1HD       LYS  19   5.875   9.554   4.930
  146   2HD   LYS  19          2HD       LYS  19   5.138   7.980   5.210
  147   1HE   LYS  19          1HE       LYS  19   6.048   7.176   2.937
  148   2HE   LYS  19          2HE       LYS  19   6.735   8.769   2.650
  149   1HZ   LYS  19          1HZ       LYS  19   7.491   6.996   4.983
  150   2HZ   LYS  19          2HZ       LYS  19   8.419   7.228   3.646
  151   3HZ   LYS  19          3HZ       LYS  19   8.144   8.471   4.689
  152    H    GLY  20           H        GLY  20   2.254   8.720  -0.499
  153   1HA   GLY  20          2HA       GLY  20   0.656  11.227  -0.524
  154   2HA   GLY  20          1HA       GLY  20   2.372  11.606  -0.792
  155    H    ALA  21           H        ALA  21   3.234   9.471  -2.183
  156    HA   ALA  21           HA       ALA  21   3.400   8.282  -4.334
  157   1HB   ALA  21          1HB       ALA  21   0.397   8.743  -4.556
  158   2HB   ALA  21          2HB       ALA  21   1.443   7.546  -5.377
  159   3HB   ALA  21          3HB       ALA  21   1.186   7.445  -3.624
  160    H    ILE  22           H        ILE  22   4.775   9.668  -4.845
  161    HA   ILE  22           HA       ILE  22   4.193  11.979  -6.736
  162    HB   ILE  22           HB       ILE  22   6.763  10.522  -5.874
  163   1HG1  ILE  22          1HG1      ILE  22   7.554  12.935  -5.512
  164   2HG1  ILE  22          2HG1      ILE  22   5.986  13.516  -6.030
  165   1HG2  ILE  22          1HG2      ILE  22   7.125  10.711  -8.342
  166   2HG2  ILE  22          2HG2      ILE  22   6.711  12.437  -8.298
  167   3HG2  ILE  22          3HG2      ILE  22   8.172  11.833  -7.476
  168   1HD1  ILE  22          1HD1      ILE  22   4.932  12.392  -3.982
  169   2HD1  ILE  22          2HD1      ILE  22   6.550  11.815  -3.505
  170   3HD1  ILE  22          3HD1      ILE  22   6.202  13.553  -3.553
  171    H    ILE  23           H        ILE  23   5.023   8.475  -7.119
  172    HA   ILE  23           HA       ILE  23   4.072   8.654 -10.003
  173    HB   ILE  23           HB       ILE  23   5.568   6.315  -8.669
  174   1HG1  ILE  23          2HG1      ILE  23   6.748   8.275 -10.751
  175   2HG1  ILE  23          1HG1      ILE  23   7.024   8.424  -9.031
  176   1HG2  ILE  23          1HG2      ILE  23   4.905   6.747 -11.673
  177   2HG2  ILE  23          2HG2      ILE  23   5.798   5.367 -10.993
  178   3HG2  ILE  23          3HG2      ILE  23   4.096   5.578 -10.607
  179   1HD1  ILE  23          1HD1      ILE  23   7.965   6.035 -10.729
  180   2HD1  ILE  23          2HD1      ILE  23   8.962   7.299  -9.985
  181   3HD1  ILE  23          3HD1      ILE  23   8.110   6.127  -8.955
  182    H    GLY  24           H        GLY  24   1.989   9.079  -9.088
  183   1HA   GLY  24          1HA       GLY  24   0.086   6.964  -9.321
  184   2HA   GLY  24          2HA       GLY  24   0.481   6.958  -7.606
  185    H    LEU  25           H        LEU  25  -1.302   7.773  -6.735
  186    HA   LEU  25           HA       LEU  25  -2.055  10.656  -7.097
  187   1HB   LEU  25          1HB       LEU  25  -4.332  10.399  -7.771
  188   2HB   LEU  25          2HB       LEU  25  -3.341   9.664  -8.985
  189    HG   LEU  25           HG       LEU  25  -4.893   7.987  -6.900
  190   1HD1  LEU  25          1HD1      LEU  25  -6.673   7.731  -8.628
  191   2HD1  LEU  25          2HD1      LEU  25  -6.495   9.429  -8.156
  192   3HD1  LEU  25          3HD1      LEU  25  -5.827   8.868  -9.708
  193   1HD2  LEU  25          1HD2      LEU  25  -3.135   6.650  -8.096
  194   2HD2  LEU  25          2HD2      LEU  25  -4.734   6.178  -8.679
  195   3HD2  LEU  25          3HD2      LEU  25  -3.712   7.242  -9.670
  196    H    MET  26           H        MET  26  -2.886   7.592  -5.395
  197    HA   MET  26           HA       MET  26  -4.544   8.803  -3.292
  198   1HB   MET  26          1HB       MET  26  -4.314   6.597  -2.244
  199   2HB   MET  26          2HB       MET  26  -4.629   6.404  -3.943
  200   1HG   MET  26          1HG       MET  26  -1.865   6.010  -2.599
  201   2HG   MET  26          2HG       MET  26  -2.992   4.729  -3.023
  202   1HE   MET  26          1HE       MET  26  -0.140   4.057  -4.685
  203   2HE   MET  26          2HE       MET  26   0.081   5.496  -3.668
  204   3HE   MET  26          3HE       MET  26   0.417   5.567  -5.422
  205    HXT  MET  26           HO        OH  27  -2.750  10.491  -3.426
  Start of MODEL   15
    1   1H    TYR   1          1H        TYR   1  -3.816  -9.432   2.790
    2   2H    TYR   1          2H        TYR   1  -2.747 -10.584   2.354
    3    HA   TYR   1           HA       TYR   1  -2.286  -7.662   2.169
    4   1HB   TYR   1          1HB       TYR   1  -0.269  -9.210   2.707
    5   2HB   TYR   1          2HB       TYR   1  -0.545 -10.043   1.202
    6    HD1  TYR   1           HD1      TYR   1   0.135  -6.611   2.651
    7    HD2  TYR   1           HD2      TYR   1   0.517  -9.139  -0.806
    8    HE1  TYR   1           HE1      TYR   1   1.611  -4.946   1.585
    9    HE2  TYR   1           HE2      TYR   1   1.995  -7.473  -1.852
   10    HH   TYR   1           HH       TYR   1   3.035  -5.516  -1.612
   11    H    GLU   2           H        GLU   2  -3.161  -6.761   0.399
   12    HA   GLU   2           HA       GLU   2  -3.660  -8.281  -2.149
   13   1HB   GLU   2          2HB       GLU   2  -5.692  -8.704  -0.692
   14   2HB   GLU   2          1HB       GLU   2  -6.010  -6.989  -0.592
   15   1HG   GLU   2          1HG       GLU   2  -5.967  -8.619  -3.243
   16   2HG   GLU   2          2HG       GLU   2  -7.406  -8.327  -2.288
   17    H    VAL   3           H        VAL   3  -2.331  -6.949  -3.091
   18    HA   VAL   3           HA       VAL   3  -2.823  -3.885  -3.123
   19    HB   VAL   3           HB       VAL   3  -0.566  -3.676  -4.193
   20   1HG1  VAL   3          1HG2      VAL   3   0.727  -3.826  -2.095
   21   2HG1  VAL   3          2HG2      VAL   3  -0.894  -3.172  -1.818
   22   3HG1  VAL   3          3HG2      VAL   3  -0.531  -4.856  -1.362
   23   1HG2  VAL   3          1HG1      VAL   3   0.019  -6.599  -3.390
   24   2HG2  VAL   3          2HG1      VAL   3  -0.014  -5.962  -5.056
   25   3HG2  VAL   3          3HG1      VAL   3   1.210  -5.394  -3.924
   26    H    HIS   4           H        HIS   4  -2.020  -6.474  -5.531
   27    HA   HIS   4           HA       HIS   4  -2.533  -6.660  -7.884
   28   1HB   HIS   4          1HB       HIS   4  -5.056  -5.402  -6.642
   29   2HB   HIS   4          2HB       HIS   4  -4.927  -5.214  -8.353
   30    HD1  HIS   4           HD1      HIS   4  -5.317  -7.349  -9.907
   31    HD2  HIS   4           HD2      HIS   4  -5.148  -8.039  -5.679
   32    HE1  HIS   4           HE1      HIS   4  -6.153  -9.753  -9.377
   33    HE2  HIS   4           HE2      HIS   4  -6.076 -10.273  -6.837
   34    H    HIS   5           H        HIS   5  -1.364  -3.916  -6.764
   35    HA   HIS   5           HA       HIS   5  -0.250  -2.165  -7.527
   36   1HB   HIS   5          2HB       HIS   5  -0.405  -3.804 -10.151
   37   2HB   HIS   5          1HB       HIS   5   0.139  -2.158 -10.313
   38    HD1  HIS   5           HD1      HIS   5   1.950  -5.143 -10.247
   39    HD2  HIS   5           HD2      HIS   5   1.866  -1.675  -7.721
   40    HE1  HIS   5           HE1      HIS   5   4.184  -4.960  -8.886
   41    HE2  HIS   5           HE2      HIS   5   4.247  -2.910  -7.354
   42    H    GLN   6           H        GLN   6  -0.771  -0.359  -7.419
   43    HA   GLN   6           HA       GLN   6  -1.799   1.683  -7.382
   44   1HB   GLN   6          1HB       GLN   6  -1.322   1.079 -10.211
   45   2HB   GLN   6          2HB       GLN   6  -2.900   1.788 -10.173
   46   1HG   GLN   6          1HG       GLN   6  -0.294   3.027  -9.035
   47   2HG   GLN   6          2HG       GLN   6  -1.114   3.489 -10.509
   48   1HE2  GLN   6          1HE2      GLN   6  -1.234   3.734  -7.005
   49   2HE2  GLN   6          2HE2      GLN   6  -2.577   5.002  -7.006
   50    H    LYS   7           H        LYS   7  -3.173   0.129  -6.051
   51    HA   LYS   7           HA       LYS   7  -6.147   0.410  -6.803
   52   1HB   LYS   7          2HB       LYS   7  -5.163  -1.842  -6.053
   53   2HB   LYS   7          1HB       LYS   7  -4.810  -1.150  -4.496
   54   1HG   LYS   7          2HG       LYS   7  -7.442  -0.604  -4.371
   55   2HG   LYS   7          1HG       LYS   7  -7.561  -1.626  -5.791
   56   1HD   LYS   7          2HD       LYS   7  -7.975  -3.189  -4.093
   57   2HD   LYS   7          1HD       LYS   7  -6.276  -3.477  -4.406
   58   1HE   LYS   7          1HE       LYS   7  -5.727  -1.877  -2.397
   59   2HE   LYS   7          2HE       LYS   7  -7.470  -1.754  -2.097
   60   1HZ   LYS   7          1HZ       LYS   7  -5.697  -4.154  -1.757
   61   2HZ   LYS   7          2HZ       LYS   7  -6.997  -3.716  -0.822
   62   3HZ   LYS   7          3HZ       LYS   7  -7.160  -4.502  -2.287
   63    H    LEU   8           H        LEU   8  -4.101   0.940  -3.944
   64    HA   LEU   8           HA       LEU   8  -4.981   3.764  -3.537
   65   1HB   LEU   8          2HB       LEU   8  -6.484   3.631  -1.687
   66   2HB   LEU   8          1HB       LEU   8  -7.080   2.459  -2.793
   67    HG   LEU   8           HG       LEU   8  -5.608   0.750  -1.173
   68   1HD1  LEU   8          1HD1      LEU   8  -4.777   2.453   0.442
   69   2HD1  LEU   8          2HD1      LEU   8  -6.427   3.035   0.737
   70   3HD1  LEU   8          3HD1      LEU   8  -5.931   1.401   1.242
   71   1HD2  LEU   8          1HD2      LEU   8  -7.728   0.266   0.064
   72   2HD2  LEU   8          2HD2      LEU   8  -8.404   1.840  -0.409
   73   3HD2  LEU   8          3HD2      LEU   8  -8.109   0.591  -1.646
   74    H    VAL   9           H        VAL   9  -2.852   1.176  -2.498
   75    HA   VAL   9           HA       VAL   9  -2.325   2.333   0.131
   76    HB   VAL   9           HB       VAL   9  -0.368   0.400  -1.262
   77   1HG1  VAL   9          1HG2      VAL   9  -1.165   1.153   1.640
   78   2HG1  VAL   9          2HG2      VAL   9  -0.453  -0.422   1.330
   79   3HG1  VAL   9          3HG2      VAL   9   0.421   1.043   0.881
   80   1HG2  VAL   9          1HG1      VAL   9  -3.012  -0.508   0.032
   81   2HG2  VAL   9          2HG1      VAL   9  -2.481  -0.784  -1.641
   82   3HG2  VAL   9          3HG1      VAL   9  -1.610  -1.560  -0.336
   83    H    PHE  10           H        PHE  10  -1.177   3.631   0.818
   84    HA   PHE  10           HA       PHE  10   1.047   5.243  -0.485
   85   1HB   PHE  10          2HB       PHE  10   0.404   6.704   1.722
   86   2HB   PHE  10          1HB       PHE  10  -0.520   6.793   0.259
   87    HD1  PHE  10           HD1      PHE  10  -0.764   5.939   3.856
   88    HD2  PHE  10           HD2      PHE  10  -2.771   5.838   0.069
   89    HE1  PHE  10           HE1      PHE  10  -2.810   5.028   4.926
   90    HE2  PHE  10           HE2      PHE  10  -4.716   4.807   1.113
   91    HZ   PHE  10           HZ       PHE  10  -4.804   4.489   3.556
   92    H    PHE  11           H        PHE  11   0.837   2.668   1.626
   93    HA   PHE  11           HA       PHE  11   3.613   3.149   2.893
   94   1HB   PHE  11          2HB       PHE  11   2.781   2.009   4.954
   95   2HB   PHE  11          1HB       PHE  11   1.975   3.511   4.638
   96    HD1  PHE  11           HD1      PHE  11   1.469  -0.261   4.501
   97    HD2  PHE  11           HD2      PHE  11  -0.393   3.597   4.479
   98    HE1  PHE  11           HE1      PHE  11  -0.756  -1.328   4.573
   99    HE2  PHE  11           HE2      PHE  11  -2.600   2.548   4.520
  100    HZ   PHE  11           HZ       PHE  11  -2.810   0.075   4.522
  101    H    ALA  12           H        ALA  12   2.476   1.357   0.501
  102    HA   ALA  12           HA       ALA  12   4.033  -1.185   1.286
  103   1HB   ALA  12          1HB       ALA  12   1.170  -1.129   0.122
  104   2HB   ALA  12          2HB       ALA  12   2.027  -2.559   0.687
  105   3HB   ALA  12          3HB       ALA  12   1.498  -1.320   1.867
  106    H    GLU  13           H        GLU  13   2.064  -1.603  -1.534
  107    HA   GLU  13           HA       GLU  13   4.429  -0.921  -3.350
  108   1HB   GLU  13          1HB       GLU  13   3.859  -3.552  -2.364
  109   2HB   GLU  13          2HB       GLU  13   3.028  -3.586  -3.889
  110   1HG   GLU  13          1HG       GLU  13   5.964  -2.583  -3.753
  111   2HG   GLU  13          2HG       GLU  13   5.637  -4.285  -3.529
  112    H    ASP  14           H        ASP  14   1.493   0.033  -3.088
  113    HA   ASP  14           HA       ASP  14   0.639  -0.169  -6.041
  114   1HB   ASP  14          2HB       ASP  14  -0.548   1.230  -3.551
  115   2HB   ASP  14          1HB       ASP  14  -1.157   1.587  -5.135
  116    H    VAL  15           H        VAL  15   3.019   1.105  -5.047
  117    HA   VAL  15           HA       VAL  15   3.908   2.962  -6.934
  118    HB   VAL  15           HB       VAL  15   2.251   4.640  -6.076
  119   1HG1  VAL  15          1HG2      VAL  15   2.081   4.074  -3.641
  120   2HG1  VAL  15          2HG2      VAL  15   3.742   4.648  -3.367
  121   3HG1  VAL  15          3HG2      VAL  15   2.479   5.788  -3.870
  122   1HG2  VAL  15          1HG1      VAL  15   4.489   5.363  -7.046
  123   2HG2  VAL  15          2HG1      VAL  15   3.707   6.555  -6.000
  124   3HG2  VAL  15          3HG1      VAL  15   5.090   5.610  -5.391
  125    H    GLY  16           H        GLY  16   4.063   1.831  -3.544
  126   1HA   GLY  16          1HA       GLY  16   6.222   0.705  -2.781
  127   2HA   GLY  16          2HA       GLY  16   7.151   1.884  -3.680
  128    H    SER  17           H        SER  17   4.572   1.890  -1.112
  129    HA   SER  17           HA       SER  17   4.261   3.253   0.758
  130   1HB   SER  17          1HB       SER  17   6.174   1.648   1.381
  131   2HB   SER  17          2HB       SER  17   7.342   2.903   0.919
  132    HG   SER  17           HG       SER  17   6.188   4.274   2.458
  133    H    ASN  18           H        ASN  18   4.774   5.205  -1.689
  134    HA   ASN  18           HA       ASN  18   5.835   7.505   0.026
  135   1HB   ASN  18          1HB       ASN  18   6.928   6.852  -2.257
  136   2HB   ASN  18          2HB       ASN  18   5.454   7.400  -3.027
  137   1HD2  ASN  18          2HD2      ASN  18   8.455   8.405  -1.783
  138   2HD2  ASN  18          1HD2      ASN  18   8.090  10.209  -1.881
  139    H    LYS  19           H        LYS  19   4.120   8.269   1.110
  140    HA   LYS  19           HA       LYS  19   1.302   8.180   0.286
  141   1HB   LYS  19          2HB       LYS  19   0.837   9.691   2.133
  142   2HB   LYS  19          1HB       LYS  19   1.978   8.490   2.647
  143   1HG   LYS  19          1HG       LYS  19   3.871  10.119   2.550
  144   2HG   LYS  19          2HG       LYS  19   2.857  11.372   1.869
  145   1HD   LYS  19          1HD       LYS  19   2.320  10.087   4.634
  146   2HD   LYS  19          2HD       LYS  19   3.390  11.465   4.406
  147   1HE   LYS  19          2HE       LYS  19   1.501  12.834   3.405
  148   2HE   LYS  19          1HE       LYS  19   0.388  11.478   3.607
  149   1HZ   LYS  19          1HZ       LYS  19   0.801  11.569   6.060
  150   2HZ   LYS  19          2HZ       LYS  19   1.875  12.796   5.888
  151   3HZ   LYS  19          3HZ       LYS  19   0.286  13.046   5.557
  152    H    GLY  20           H        GLY  20   3.678  10.611  -0.537
  153   1HA   GLY  20          2HA       GLY  20   1.764  12.555  -1.844
  154   2HA   GLY  20          1HA       GLY  20   3.518  12.548  -2.077
  155    H    ALA  21           H        ALA  21   3.973  10.014  -2.918
  156    HA   ALA  21           HA       ALA  21   3.944   8.377  -4.761
  157   1HB   ALA  21          1HB       ALA  21   1.109   9.334  -5.120
  158   2HB   ALA  21          2HB       ALA  21   1.860   7.825  -5.704
  159   3HB   ALA  21          3HB       ALA  21   1.694   8.119  -3.968
  160    H    ILE  22           H        ILE  22   5.417   8.849  -5.900
  161    HA   ILE  22           HA       ILE  22   5.454  10.911  -8.088
  162    HB   ILE  22           HB       ILE  22   7.216   8.380  -7.747
  163   1HG1  ILE  22          1HG1      ILE  22   9.067  10.192  -7.236
  164   2HG1  ILE  22          2HG1      ILE  22   7.760  11.310  -6.922
  165   1HG2  ILE  22          1HG2      ILE  22   8.786   9.433  -9.393
  166   2HG2  ILE  22          2HG2      ILE  22   7.214   9.162 -10.141
  167   3HG2  ILE  22          3HG2      ILE  22   7.669  10.800  -9.625
  168   1HD1  ILE  22          1HD1      ILE  22   8.172   8.616  -5.420
  169   2HD1  ILE  22          2HD1      ILE  22   8.786  10.187  -4.868
  170   3HD1  ILE  22          3HD1      ILE  22   7.044   9.921  -4.949
  171    H    ILE  23           H        ILE  23   4.536   7.427  -7.812
  172    HA   ILE  23           HA       ILE  23   3.100   7.717 -10.443
  173    HB   ILE  23           HB       ILE  23   4.459   5.100  -9.497
  174   1HG1  ILE  23          1HG1      ILE  23   5.446   6.764 -11.906
  175   2HG1  ILE  23          2HG1      ILE  23   6.157   6.904 -10.318
  176   1HG2  ILE  23          1HG2      ILE  23   2.438   4.691 -10.977
  177   2HG2  ILE  23          2HG2      ILE  23   3.148   5.711 -12.247
  178   3HG2  ILE  23          3HG2      ILE  23   3.913   4.174 -11.781
  179   1HD1  ILE  23          1HD1      ILE  23   6.181   4.307 -11.967
  180   2HD1  ILE  23          2HD1      ILE  23   7.549   5.379 -11.610
  181   3HD1  ILE  23          3HD1      ILE  23   6.784   4.456 -10.296
  182    H    GLY  24           H        GLY  24   1.435   8.434  -9.106
  183   1HA   GLY  24          1HA       GLY  24  -0.926   7.099  -8.875
  184   2HA   GLY  24          2HA       GLY  24  -0.117   6.288  -7.547
  185    H    LEU  25           H        LEU  25  -0.562   9.704  -8.549
  186    HA   LEU  25           HA       LEU  25  -0.305  11.048  -6.105
  187   1HB   LEU  25          1HB       LEU  25  -2.209  11.541  -8.495
  188   2HB   LEU  25          2HB       LEU  25  -2.193  12.639  -7.159
  189    HG   LEU  25           HG       LEU  25  -0.905  13.542  -8.937
  190   1HD1  LEU  25          1HD1      LEU  25  -0.216  14.104  -6.574
  191   2HD1  LEU  25          2HD1      LEU  25   1.035  12.838  -6.641
  192   3HD1  LEU  25          3HD1      LEU  25   1.125  14.238  -7.728
  193   1HD2  LEU  25          1HD2      LEU  25   1.154  11.261  -8.727
  194   2HD2  LEU  25          2HD2      LEU  25  -0.035  11.454 -10.048
  195   3HD2  LEU  25          3HD2      LEU  25   1.226  12.676  -9.792
  196    H    MET  26           H        MET  26  -1.170  11.002  -4.215
  197    HA   MET  26           HA       MET  26  -4.173  10.675  -3.769
  198   1HB   MET  26          1HB       MET  26  -3.930   8.827  -2.169
  199   2HB   MET  26          2HB       MET  26  -3.323   8.373  -3.737
  200   1HG   MET  26          1HG       MET  26  -0.904   8.863  -2.774
  201   2HG   MET  26          2HG       MET  26  -1.684   8.814  -1.177
  202   1HE   MET  26          1HE       MET  26  -0.056   6.748  -3.940
  203   2HE   MET  26          2HE       MET  26   0.100   5.320  -2.905
  204   3HE   MET  26          3HE       MET  26   0.616   6.916  -2.288
  205    HXT  MET  26           HO        OH  27  -1.246  10.732  -1.828